smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418770769 529779897 /nfs/dbraw/zinc/77/98/97/529779897.db2.gz VAHZWNMXHKXUET-KBPBESRZSA-N 1 3 313.446 -0.964 20 0 DBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332380331 295855450 /nfs/dbraw/zinc/85/54/50/295855450.db2.gz WVQRDTQTZUIPPU-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC(=O)[C@H]2CN3CCN2CCC3)CCCO1 ZINC000372936308 138170227 /nfs/dbraw/zinc/17/02/27/138170227.db2.gz VYYFTAUFKSORHZ-HZPDHXFCSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2CN3CCN2CCC3)CCCO1 ZINC000372936308 138170229 /nfs/dbraw/zinc/17/02/29/138170229.db2.gz VYYFTAUFKSORHZ-HZPDHXFCSA-N 1 3 324.469 -0.007 20 0 DBADHO [NH3+][C@@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000418501332 237365654 /nfs/dbraw/zinc/36/56/54/237365654.db2.gz QYGMLCDDYIMWFM-AWEZNQCLSA-N 1 3 323.441 -0.327 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418523018 237365874 /nfs/dbraw/zinc/36/58/74/237365874.db2.gz KBKXURRAVWDWNT-ZDUSSCGKSA-N 1 3 311.430 -0.327 20 0 DBADHO COCCN(CCN(C)C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418642794 237375695 /nfs/dbraw/zinc/37/56/95/237375695.db2.gz UBECEPAHONHOTH-OAHLLOKOSA-N 1 3 316.446 -0.025 20 0 DBADHO COCC[NH2+]C1CCN(C(=O)NCCOCCN(C)C)CC1 ZINC000563271829 284032334 /nfs/dbraw/zinc/03/23/34/284032334.db2.gz WRJSOYCHTHRVMA-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1=CC[N@H+](C)CC1 ZINC000563457888 284041474 /nfs/dbraw/zinc/04/14/74/284041474.db2.gz PNHFWRDNJUCKMJ-YUTCNCBUSA-N 1 3 321.425 -0.410 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000563457888 284041475 /nfs/dbraw/zinc/04/14/75/284041475.db2.gz PNHFWRDNJUCKMJ-YUTCNCBUSA-N 1 3 321.425 -0.410 20 0 DBADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000563616099 284045047 /nfs/dbraw/zinc/04/50/47/284045047.db2.gz XUHRVNXXZHQSKW-SOUVJXGZSA-N 1 3 310.442 -0.364 20 0 DBADHO CN(C)CCOc1cccc(CNC(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000563946450 284052494 /nfs/dbraw/zinc/05/24/94/284052494.db2.gz IQLJIVNBJJXSCW-UHFFFAOYSA-N 1 3 320.393 -0.669 20 0 DBADHO CC1CCN(C[C@H](O)CNC(=O)COC2CC[NH2+]CC2)CC1 ZINC000564922742 284071777 /nfs/dbraw/zinc/07/17/77/284071777.db2.gz CQGBVXVYRAGGMF-CQSZACIVSA-N 1 3 313.442 -0.036 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3)CCN2C1=O ZINC000565253316 284090960 /nfs/dbraw/zinc/09/09/60/284090960.db2.gz ILQYZKICKCMBQL-UONOGXRCSA-N 1 3 317.393 -0.401 20 0 DBADHO CCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565256183 284091568 /nfs/dbraw/zinc/09/15/68/284091568.db2.gz YOJLRBHQEUPBLL-CHWSQXEVSA-N 1 3 311.430 -0.328 20 0 DBADHO CCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565256183 284091571 /nfs/dbraw/zinc/09/15/71/284091571.db2.gz YOJLRBHQEUPBLL-CHWSQXEVSA-N 1 3 311.430 -0.328 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)c3ccccc3CC[NH3+])CCN2C1=O ZINC000565237018 284089948 /nfs/dbraw/zinc/08/99/48/284089948.db2.gz AVHGCOCJWMWCOK-GXTWGEPZSA-N 1 3 302.378 -0.428 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000565423005 284095125 /nfs/dbraw/zinc/09/51/25/284095125.db2.gz YVUMKCIOYCXRJP-NWDGAFQWSA-N 1 3 314.430 -0.545 20 0 DBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000565828091 284105020 /nfs/dbraw/zinc/10/50/20/284105020.db2.gz VXHOSXZTSFNCJZ-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CCO1 ZINC000643544169 374259331 /nfs/dbraw/zinc/25/93/31/374259331.db2.gz VRLHGZCGZBHDRN-DGCLKSJQSA-N 1 3 312.414 -0.886 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643544118 374259811 /nfs/dbraw/zinc/25/98/11/374259811.db2.gz MFPXRMNZVANUDR-JSGCOSHPSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000643552749 374269423 /nfs/dbraw/zinc/26/94/23/374269423.db2.gz BJKRUQKPMLZGRU-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000642698753 374292093 /nfs/dbraw/zinc/29/20/93/374292093.db2.gz LQBFONCPKJXBHC-QWHCGFSZSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)CCO1 ZINC000642698841 374293125 /nfs/dbraw/zinc/29/31/25/374293125.db2.gz VVGHXHSPYQNWSY-NWDGAFQWSA-N 1 3 312.414 -0.839 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642713061 374432449 /nfs/dbraw/zinc/43/24/49/374432449.db2.gz ZBKQKUWDPZZNFC-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000642756046 374495602 /nfs/dbraw/zinc/49/56/02/374495602.db2.gz LWHDFRWJHOIGGL-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CCO1 ZINC000642773368 374512364 /nfs/dbraw/zinc/51/23/64/374512364.db2.gz UHJNVPBHPMUYJY-GMXVVIOVSA-N 1 3 312.414 -0.840 20 0 DBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785685 374571827 /nfs/dbraw/zinc/57/18/27/374571827.db2.gz DFQMBQKEDFJWNZ-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000642785890 374573716 /nfs/dbraw/zinc/57/37/16/374573716.db2.gz PBJYOZMRYGTBQG-PBHICJAKSA-N 1 3 320.437 -0.201 20 0 DBADHO O=C(NCCC[NH2+]C1CC1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785975 374574955 /nfs/dbraw/zinc/57/49/55/374574955.db2.gz VFPNWHTVLMSSAA-CQSZACIVSA-N 1 3 308.426 -0.155 20 0 DBADHO CC[NH+](CC)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568648033 374608089 /nfs/dbraw/zinc/60/80/89/374608089.db2.gz BRNAPVYXDDXWLK-CHWSQXEVSA-N 1 3 311.430 -0.328 20 0 DBADHO CC[NH+](CC)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568648039 374609009 /nfs/dbraw/zinc/60/90/09/374609009.db2.gz BRNAPVYXDDXWLK-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CC[NH2+]C2)cn1 ZINC000427324347 374867009 /nfs/dbraw/zinc/86/70/09/374867009.db2.gz LPNGYUGJNBGWEU-LBPRGKRZSA-N 1 3 322.413 -0.501 20 0 DBADHO C[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642895058 374900916 /nfs/dbraw/zinc/90/09/16/374900916.db2.gz PDQBDPCBEWXGSK-UHFFFAOYSA-N 1 3 305.382 -0.544 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[NH2+]2)cn1 ZINC000237170984 374960603 /nfs/dbraw/zinc/96/06/03/374960603.db2.gz YKNRKYIZGQNKAU-GFCCVEGCSA-N 1 3 308.386 -0.749 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NCC[C@H]2CCC[NH2+]C2)CC1=O ZINC000152726844 374968509 /nfs/dbraw/zinc/96/85/09/374968509.db2.gz APJKRWJUNWHIBD-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000642904997 374979998 /nfs/dbraw/zinc/97/99/98/374979998.db2.gz DHIBWAGIIVIDDS-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000262671763 375028899 /nfs/dbraw/zinc/02/88/99/375028899.db2.gz OTXSSZVSRYUANU-NWDGAFQWSA-N 1 3 322.413 -0.373 20 0 DBADHO C[C@]12C[N@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@@]1(C)C(=O)NC2=O ZINC000634998488 375081599 /nfs/dbraw/zinc/08/15/99/375081599.db2.gz GGXWNWKLIRMMFU-LYRGGWFBSA-N 1 3 322.409 -0.832 20 0 DBADHO C[C@]12C[N@@H+](C[C@H]3CCCN(C(=O)CN)C3)C[C@@]1(C)C(=O)NC2=O ZINC000634998488 375081605 /nfs/dbraw/zinc/08/16/05/375081605.db2.gz GGXWNWKLIRMMFU-LYRGGWFBSA-N 1 3 322.409 -0.832 20 0 DBADHO O=C(NC[C@@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261862700 375136095 /nfs/dbraw/zinc/13/60/95/375136095.db2.gz KNOPTXWTHIKVMQ-JKSUJKDBSA-N 1 3 324.469 -0.101 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642939593 375139242 /nfs/dbraw/zinc/13/92/42/375139242.db2.gz IPSJKQCEWSFGFJ-GFCCVEGCSA-N 1 3 305.382 -0.559 20 0 DBADHO C[N@H+](CCO)C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635741143 375263204 /nfs/dbraw/zinc/26/32/04/375263204.db2.gz ZODOUUDJUPOFNM-LSDHHAIUSA-N 1 3 311.426 -0.235 20 0 DBADHO C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635741143 375263208 /nfs/dbraw/zinc/26/32/08/375263208.db2.gz ZODOUUDJUPOFNM-LSDHHAIUSA-N 1 3 311.426 -0.235 20 0 DBADHO COCCN(C)CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000570446672 375362266 /nfs/dbraw/zinc/36/22/66/375362266.db2.gz ADKMJYVTNQCQLU-ZDUSSCGKSA-N 1 3 324.429 -0.272 20 0 DBADHO CC(C)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)N1CCN(C)CC1 ZINC000317718165 375362660 /nfs/dbraw/zinc/36/26/60/375362660.db2.gz MUUPPEJCCSSYRR-HUUCEWRRSA-N 1 3 312.458 -0.247 20 0 DBADHO CCN(CCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627365669 375377805 /nfs/dbraw/zinc/37/78/05/375377805.db2.gz WHMIUQQVWIKAAY-ZDUSSCGKSA-N 1 3 308.426 -0.012 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CC[C@H]21 ZINC000642960671 375466372 /nfs/dbraw/zinc/46/63/72/375466372.db2.gz WXORYGJFACGSHQ-MGPQQGTHSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CC[C@H]21 ZINC000642960671 375466374 /nfs/dbraw/zinc/46/63/74/375466374.db2.gz WXORYGJFACGSHQ-MGPQQGTHSA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000580075252 375428895 /nfs/dbraw/zinc/42/88/95/375428895.db2.gz ZKJOXCKREVGZPR-STQMWFEESA-N 1 3 315.462 -0.820 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)CCN2C1=O ZINC000594879672 375966324 /nfs/dbraw/zinc/96/63/24/375966324.db2.gz GMGAKAOGFRKBKR-LPEHRKFASA-N 1 3 302.325 -0.998 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCCCCC3)CCN2C1=O ZINC000595266521 375984704 /nfs/dbraw/zinc/98/47/04/375984704.db2.gz AIJMORDHAFGWCC-QWHCGFSZSA-N 1 3 323.441 -0.009 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595265818 375985599 /nfs/dbraw/zinc/98/55/99/375985599.db2.gz JECDKPGFVIVNCB-XJFOESAGSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595265818 375985605 /nfs/dbraw/zinc/98/56/05/375985605.db2.gz JECDKPGFVIVNCB-XJFOESAGSA-N 1 3 321.425 -0.433 20 0 DBADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595274298 375989365 /nfs/dbraw/zinc/98/93/65/375989365.db2.gz UWOCZCTZKRXLNA-XQQFMLRXSA-N 1 3 309.414 -0.576 20 0 DBADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595274298 375989369 /nfs/dbraw/zinc/98/93/69/375989369.db2.gz UWOCZCTZKRXLNA-XQQFMLRXSA-N 1 3 309.414 -0.576 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@]3(O)CCC[NH2+]C3)C2)CC1 ZINC000595947501 376059299 /nfs/dbraw/zinc/05/92/99/376059299.db2.gz MGYBMSRYSJAVNP-NVXWUHKLSA-N 1 3 324.469 -0.272 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CCN2C1=O ZINC000597441566 376133229 /nfs/dbraw/zinc/13/32/29/376133229.db2.gz JWAHEFXVSFGACU-UTUOFQBUSA-N 1 3 307.398 -0.918 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CCN2C1=O ZINC000602523990 376451194 /nfs/dbraw/zinc/45/11/94/376451194.db2.gz JBUOCNCZZKIQOI-QWHCGFSZSA-N 1 3 306.410 -0.367 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627380727 376589671 /nfs/dbraw/zinc/58/96/71/376589671.db2.gz XAFHXKNXBLSYQT-ZIAGYGMSSA-N 1 3 320.437 -0.012 20 0 DBADHO COCCN1CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000337650848 376859197 /nfs/dbraw/zinc/85/91/97/376859197.db2.gz JZMJNMBZTFDYFE-JSGCOSHPSA-N 1 3 302.419 -0.681 20 0 DBADHO CN(C(=O)[C@H]1CN(C)CCO1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365748835 376859228 /nfs/dbraw/zinc/85/92/28/376859228.db2.gz CMJSXZMCKPJCOY-HZPDHXFCSA-N 1 3 324.469 -0.056 20 0 DBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCCn1cccc1 ZINC000571546115 377254015 /nfs/dbraw/zinc/25/40/15/377254015.db2.gz SIDIWERMRLBYDV-UHFFFAOYSA-N 1 3 323.441 -0.444 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCn1cccc1 ZINC000571546115 377254024 /nfs/dbraw/zinc/25/40/24/377254024.db2.gz SIDIWERMRLBYDV-UHFFFAOYSA-N 1 3 323.441 -0.444 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627483021 377285716 /nfs/dbraw/zinc/28/57/16/377285716.db2.gz YGGOOULNLFSQPO-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CN(C)C1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)Cc2ccccc2C1 ZINC000269261309 377390830 /nfs/dbraw/zinc/39/08/30/377390830.db2.gz MKCIRZAXBOCOCP-HUUCEWRRSA-N 1 3 303.406 -0.075 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000637798148 377563747 /nfs/dbraw/zinc/56/37/47/377563747.db2.gz LPYSERIEEYCYPT-MRXNPFEDSA-N 1 3 320.437 -0.024 20 0 DBADHO COCCOCCN(C)CCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000637865870 377609196 /nfs/dbraw/zinc/60/91/96/377609196.db2.gz JAUMJRDDRXCGLR-ZIAGYGMSSA-N 1 3 317.430 -0.454 20 0 DBADHO C[C@]1(C(N)=O)CCN(C/C=C/C[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000280786064 377702765 /nfs/dbraw/zinc/70/27/65/377702765.db2.gz QQRKHMURLHBALD-PIGHNIFASA-N 1 3 308.426 -0.063 20 0 DBADHO C[C@]1(C(N)=O)CCN(C/C=C/C[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000280786064 377702773 /nfs/dbraw/zinc/70/27/73/377702773.db2.gz QQRKHMURLHBALD-PIGHNIFASA-N 1 3 308.426 -0.063 20 0 DBADHO COC[C@@]1(CNC(=O)c2cnn(CCN(C)C)c2)CCC[NH2+]1 ZINC000638229148 377862395 /nfs/dbraw/zinc/86/23/95/377862395.db2.gz CTYISXWMLJAMGT-HNNXBMFYSA-N 1 3 309.414 -0.057 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000638268636 377865930 /nfs/dbraw/zinc/86/59/30/377865930.db2.gz ZZRRUPSORYBHSK-CVEARBPZSA-N 1 3 320.437 -0.060 20 0 DBADHO COC[C@@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCCN1 ZINC000638367763 377880873 /nfs/dbraw/zinc/88/08/73/377880873.db2.gz XZZBRDOLDXUQSZ-SQWLQELKSA-N 1 3 321.425 -0.168 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000638354387 377881380 /nfs/dbraw/zinc/88/13/80/377881380.db2.gz LEMRDHJFZBEFHV-OAHLLOKOSA-N 1 3 320.437 -0.242 20 0 DBADHO C[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)CN1CCN(C)CC1 ZINC000638138281 377850684 /nfs/dbraw/zinc/85/06/84/377850684.db2.gz ZQRNLNUQDHJRJK-HOCLYGCPSA-N 1 3 312.458 -0.258 20 0 DBADHO COCCOCCN(C)CCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638173745 377855595 /nfs/dbraw/zinc/85/55/95/377855595.db2.gz JKZOWNIDSVOXDM-CYBMUJFWSA-N 1 3 303.403 -0.843 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638538960 377984759 /nfs/dbraw/zinc/98/47/59/377984759.db2.gz CXBWWNPRHHKTRR-GFCCVEGCSA-N 1 3 312.414 -0.979 20 0 DBADHO CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CN2CCC1CC2 ZINC000638854539 378148734 /nfs/dbraw/zinc/14/87/34/378148734.db2.gz RCGPELJGOSJQMN-ZIAGYGMSSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000342364474 378093627 /nfs/dbraw/zinc/09/36/27/378093627.db2.gz TXOJRDGMQIUXLF-VXGBXAGGSA-N 1 3 323.445 -0.744 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000342364474 378093637 /nfs/dbraw/zinc/09/36/37/378093637.db2.gz TXOJRDGMQIUXLF-VXGBXAGGSA-N 1 3 323.445 -0.744 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CC[N@H+](C)[C@H](C)C2)n1 ZINC000342364471 378094522 /nfs/dbraw/zinc/09/45/22/378094522.db2.gz TXOJRDGMQIUXLF-NEPJUHHUSA-N 1 3 323.445 -0.744 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)n1 ZINC000342364471 378094526 /nfs/dbraw/zinc/09/45/26/378094526.db2.gz TXOJRDGMQIUXLF-NEPJUHHUSA-N 1 3 323.445 -0.744 20 0 DBADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000126236668 378291164 /nfs/dbraw/zinc/29/11/64/378291164.db2.gz YDSDXBZIPJLGDR-MGPQQGTHSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304459 378329618 /nfs/dbraw/zinc/32/96/18/378329618.db2.gz RHLZTHOCDYBJCI-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304459 378329625 /nfs/dbraw/zinc/32/96/25/378329625.db2.gz RHLZTHOCDYBJCI-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1ccc(=O)n(C)n1 ZINC000617503571 378367921 /nfs/dbraw/zinc/36/79/21/378367921.db2.gz OZFLWDHUZNCGAU-LBPRGKRZSA-N 1 3 309.414 -0.218 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1ccc(=O)n(C)n1 ZINC000617503571 378367926 /nfs/dbraw/zinc/36/79/26/378367926.db2.gz OZFLWDHUZNCGAU-LBPRGKRZSA-N 1 3 309.414 -0.218 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)Cn1cccnc1=O ZINC000617504369 378368161 /nfs/dbraw/zinc/36/81/61/378368161.db2.gz SHDBEEGQQNFPQN-ZDUSSCGKSA-N 1 3 309.414 -0.369 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)Cn1cccnc1=O ZINC000617504369 378368166 /nfs/dbraw/zinc/36/81/66/378368166.db2.gz SHDBEEGQQNFPQN-ZDUSSCGKSA-N 1 3 309.414 -0.369 20 0 DBADHO Cn1c2ncn(CCN[C@@](C)(C[NH3+])C3CC3)c2c(=O)n(C)c1=O ZINC000346591505 378379463 /nfs/dbraw/zinc/37/94/63/378379463.db2.gz ISQVZPXINYTXDG-HNNXBMFYSA-N 1 3 320.397 -0.849 20 0 DBADHO COCCN1CC[C@H](NC(=O)NCC[N@H+](C)CCOC)C1 ZINC000347027541 378381497 /nfs/dbraw/zinc/38/14/97/378381497.db2.gz IHFRTRCABYOKFF-ZDUSSCGKSA-N 1 3 302.419 -0.416 20 0 DBADHO COCCN1CC[C@H](NC(=O)NCC[N@@H+](C)CCOC)C1 ZINC000347027541 378381507 /nfs/dbraw/zinc/38/15/07/378381507.db2.gz IHFRTRCABYOKFF-ZDUSSCGKSA-N 1 3 302.419 -0.416 20 0 DBADHO CC(C)(O)C[NH+]1CCC(NC[C@]2(OCCO)CCOC2)CC1 ZINC000639309282 378420201 /nfs/dbraw/zinc/42/02/01/378420201.db2.gz SINWKGFEVHACSB-MRXNPFEDSA-N 1 3 316.442 -0.021 20 0 DBADHO O=C(C[C@@H]1CCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167412473 378499596 /nfs/dbraw/zinc/49/95/96/378499596.db2.gz WXOZLQZOQXNXNF-AWEZNQCLSA-N 1 3 308.426 -0.105 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000167403266 378499827 /nfs/dbraw/zinc/49/98/27/378499827.db2.gz SRTIQOXQPRSKLD-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000167403167 378500093 /nfs/dbraw/zinc/50/00/93/378500093.db2.gz SRTIQOXQPRSKLD-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@H]21 ZINC000332187608 378539661 /nfs/dbraw/zinc/53/96/61/378539661.db2.gz YMVFNHFYHUWMAE-MGPQQGTHSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@H]21 ZINC000332187608 378539667 /nfs/dbraw/zinc/53/96/67/378539667.db2.gz YMVFNHFYHUWMAE-MGPQQGTHSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C[C@@H]1C[NH3+] ZINC000332671739 378546281 /nfs/dbraw/zinc/54/62/81/378546281.db2.gz SBTUCBNCGOZZHF-HZSPNIEDSA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000332598343 378546503 /nfs/dbraw/zinc/54/65/03/378546503.db2.gz OAKYPVVMPPCQQZ-MQYQWHSLSA-N 1 3 308.426 -0.204 20 0 DBADHO CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000617765598 378570509 /nfs/dbraw/zinc/57/05/09/378570509.db2.gz IJKYNWBPRPPBMK-HNNXBMFYSA-N 1 3 311.474 -0.624 20 0 DBADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000331728634 378536269 /nfs/dbraw/zinc/53/62/69/378536269.db2.gz ZPFIWGLKPVWIOL-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000331728634 378536273 /nfs/dbraw/zinc/53/62/73/378536273.db2.gz ZPFIWGLKPVWIOL-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO COCCN1CC[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354702732 378760269 /nfs/dbraw/zinc/76/02/69/378760269.db2.gz GGMDFAYVWVRCHJ-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354748126 378762023 /nfs/dbraw/zinc/76/20/23/378762023.db2.gz KYIMAWOCJLJVKR-BNOWGMLFSA-N 1 3 308.426 -0.156 20 0 DBADHO CCN1CCN(CCC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000357247266 378931042 /nfs/dbraw/zinc/93/10/42/378931042.db2.gz ZGGVARGCSXXKCI-MRXNPFEDSA-N 1 3 323.485 -0.480 20 0 DBADHO CCN1CCN(CCC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000357247263 378931455 /nfs/dbraw/zinc/93/14/55/378931455.db2.gz ZGGVARGCSXXKCI-INIZCTEOSA-N 1 3 323.485 -0.480 20 0 DBADHO COCCC[N@H+](C)CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358725450 379085167 /nfs/dbraw/zinc/08/51/67/379085167.db2.gz RXDGDFCACFNBKR-CQSZACIVSA-N 1 3 302.419 -0.680 20 0 DBADHO COCCC[N@@H+](C)CCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358725450 379085171 /nfs/dbraw/zinc/08/51/71/379085171.db2.gz RXDGDFCACFNBKR-CQSZACIVSA-N 1 3 302.419 -0.680 20 0 DBADHO CC(C)[C@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCN1C ZINC000362534481 379447319 /nfs/dbraw/zinc/44/73/19/379447319.db2.gz QGEKVDGIJITSPQ-ZIAGYGMSSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000362744632 379465105 /nfs/dbraw/zinc/46/51/05/379465105.db2.gz JVNDITDWFHJORF-LSDHHAIUSA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000362744632 379465112 /nfs/dbraw/zinc/46/51/12/379465112.db2.gz JVNDITDWFHJORF-LSDHHAIUSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1=O ZINC000368169751 379527419 /nfs/dbraw/zinc/52/74/19/379527419.db2.gz ZKQGKNCIYHMNRR-WOPDTQHZSA-N 1 3 300.378 -0.787 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1=O ZINC000368178825 379530575 /nfs/dbraw/zinc/53/05/75/379530575.db2.gz LTMUCVKTWXEKAN-MGPQQGTHSA-N 1 3 308.426 -0.393 20 0 DBADHO CC(=O)N1CCN(C(=O)CN2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000390186550 379633864 /nfs/dbraw/zinc/63/38/64/379633864.db2.gz SHGGMIAGHHNSFL-GASCZTMLSA-N 1 3 308.426 -0.392 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N(C)CCC[NH3+] ZINC000582371759 379642611 /nfs/dbraw/zinc/64/26/11/379642611.db2.gz LMQQZLLMRRZPKD-ZDUSSCGKSA-N 1 3 313.446 -0.081 20 0 DBADHO C[C@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000643453710 379646085 /nfs/dbraw/zinc/64/60/85/379646085.db2.gz UXSUHCHTPYQFMD-KBPBESRZSA-N 1 3 318.487 -0.459 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNCCO2 ZINC000584838574 379851498 /nfs/dbraw/zinc/85/14/98/379851498.db2.gz VMEYBWPMHGEBNR-CYBMUJFWSA-N 1 3 318.377 -0.025 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)CNCCO2 ZINC000584838575 379851523 /nfs/dbraw/zinc/85/15/23/379851523.db2.gz VMEYBWPMHGEBNR-ZDUSSCGKSA-N 1 3 318.377 -0.025 20 0 DBADHO C[C@H](NC(N)=O)C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000050801813 379913631 /nfs/dbraw/zinc/91/36/31/379913631.db2.gz KKKBFOWCCHWNOH-NSHDSACASA-N 1 3 311.430 -0.282 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C[C@H]1[NH3+] ZINC000643478832 379922846 /nfs/dbraw/zinc/92/28/46/379922846.db2.gz KYYHYGYSYOPWIE-TZMCWYRMSA-N 1 3 317.393 -0.464 20 0 DBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCOCCN(C)C ZINC000419779871 379969149 /nfs/dbraw/zinc/96/91/49/379969149.db2.gz PZYIBIDGVYSDTF-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NCCN)C1 ZINC000419816191 379973962 /nfs/dbraw/zinc/97/39/62/379973962.db2.gz KWTGUGZXEKDMBO-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N(C)C1CC1 ZINC000419576811 379941493 /nfs/dbraw/zinc/94/14/93/379941493.db2.gz CKKHZBADVQOVBI-MLGOLLRUSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCSC1 ZINC000419593728 379943727 /nfs/dbraw/zinc/94/37/27/379943727.db2.gz YDBRTPTXJZQIRO-FZMZJTMJSA-N 1 3 314.455 -0.607 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCSC1 ZINC000419579536 379943846 /nfs/dbraw/zinc/94/38/46/379943846.db2.gz HIABIMCBPZKJFU-FZMZJTMJSA-N 1 3 314.455 -0.592 20 0 DBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCCN(C)CCOC ZINC000419675937 379952010 /nfs/dbraw/zinc/95/20/10/379952010.db2.gz LFBUKWBWVRZSQV-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H](CCNC(=O)C(=O)N(CCN)CCO)[NH+]1CCCCC1 ZINC000419710062 379957916 /nfs/dbraw/zinc/95/79/16/379957916.db2.gz IGUKPSXMQCQYCK-ZDUSSCGKSA-N 1 3 314.430 -0.853 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419894273 379990134 /nfs/dbraw/zinc/99/01/34/379990134.db2.gz QVKSUGYVDTYPSW-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO COCCCS(=O)(=O)NCCN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330448 380053812 /nfs/dbraw/zinc/05/38/12/380053812.db2.gz IBXRGKBYYNMSNP-OKILXGFUSA-N 1 3 319.471 -0.126 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1CC[NH2+]C1 ZINC000572017039 380128635 /nfs/dbraw/zinc/12/86/35/380128635.db2.gz QQOXHZXSHAHVOB-LBPRGKRZSA-N 1 3 315.443 -0.298 20 0 DBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261665059 380150225 /nfs/dbraw/zinc/15/02/25/380150225.db2.gz FWNDAZVJODRRHU-ZNMIVQPWSA-N 1 3 312.458 -0.118 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@@]1(C)C[NH3+] ZINC000423238648 380318281 /nfs/dbraw/zinc/31/82/81/380318281.db2.gz RKWWENSDQVRUST-XJKCOSOUSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@@H]1C[NH3+] ZINC000423239066 380318423 /nfs/dbraw/zinc/31/84/23/380318423.db2.gz RQSJZICBSYUBHZ-RDBSUJKOSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000422384514 380278553 /nfs/dbraw/zinc/27/85/53/380278553.db2.gz XCORXXUYLBWROG-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423454988 380338897 /nfs/dbraw/zinc/33/88/97/380338897.db2.gz ZVDXQAWKPRKPFJ-ZDUSSCGKSA-N 1 3 314.430 -0.637 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423503377 380341030 /nfs/dbraw/zinc/34/10/30/380341030.db2.gz KQHMJEBFXBWWSM-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423501241 380341148 /nfs/dbraw/zinc/34/11/48/380341148.db2.gz BEUVEMGDSDSJJL-OCCSQVGLSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[NH2+]1 ZINC000626889529 380501479 /nfs/dbraw/zinc/50/14/79/380501479.db2.gz FNTZBAVDKHSYKR-NEPJUHHUSA-N 1 3 322.413 -0.360 20 0 DBADHO COCCN(C)CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626939189 380513031 /nfs/dbraw/zinc/51/30/31/380513031.db2.gz VLKXATOWKSVJQW-UHFFFAOYSA-N 1 3 302.419 -0.238 20 0 DBADHO O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@H](N2CCCCC2)C1 ZINC000643510659 380514336 /nfs/dbraw/zinc/51/43/36/380514336.db2.gz LFNLPPDKUPBEFC-ZNMIVQPWSA-N 1 3 320.437 -0.249 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC1CCN(CCOC)CC1 ZINC000626950815 380514562 /nfs/dbraw/zinc/51/45/62/380514562.db2.gz CBAAUOKOQUIUSB-UHFFFAOYSA-N 1 3 302.419 -0.368 20 0 DBADHO CN1CCC[C@H](NC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000626945419 380514792 /nfs/dbraw/zinc/51/47/92/380514792.db2.gz IYAANFVTCNYFKB-WCQYABFASA-N 1 3 307.402 -0.294 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643513438 380531399 /nfs/dbraw/zinc/53/13/99/380531399.db2.gz SSFVCVQGQFGYLG-CZUORRHYSA-N 1 3 306.410 -0.495 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1N(C)C ZINC000643520743 380548388 /nfs/dbraw/zinc/54/83/88/380548388.db2.gz IEZULWFCFVEKOZ-BJJPWKGXSA-N 1 3 308.426 -0.409 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)CCN1CCCC1 ZINC000629794949 380723567 /nfs/dbraw/zinc/72/35/67/380723567.db2.gz SCZJBCOFJMYICX-UHFFFAOYSA-N 1 3 314.430 -0.765 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N(C)CCOCC[NH3+])CCC1 ZINC000629803636 380728170 /nfs/dbraw/zinc/72/81/70/380728170.db2.gz OMSLGONZWMZKJP-UHFFFAOYSA-N 1 3 314.430 -0.637 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629808482 380730583 /nfs/dbraw/zinc/73/05/83/380730583.db2.gz IJMIPGYDKYFUHH-RRQGHBQHSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[NH+]1CCC(NC(=O)Cn2cc(CCN(C)C)nn2)CC1 ZINC000640869916 380841793 /nfs/dbraw/zinc/84/17/93/380841793.db2.gz SGYGZSXOCDAOGH-UHFFFAOYSA-N 1 3 308.430 -0.017 20 0 DBADHO COCCN1CC[C@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471640669 380857250 /nfs/dbraw/zinc/85/72/50/380857250.db2.gz ACLHMFXUFZEIKU-ZDUSSCGKSA-N 1 3 302.419 -0.416 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000626993117 381049916 /nfs/dbraw/zinc/04/99/16/381049916.db2.gz PGCSLRWSLSAPDJ-CYBMUJFWSA-N 1 3 304.460 -0.041 20 0 DBADHO C[NH2+]CCOCCNC(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000627028680 381058174 /nfs/dbraw/zinc/05/81/74/381058174.db2.gz NCTDXYUXWHKRKK-UHFFFAOYSA-N 1 3 315.462 -0.452 20 0 DBADHO C[NH2+]CCOCCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000627172014 381117162 /nfs/dbraw/zinc/11/71/62/381117162.db2.gz PMDHSEHQGHIFBI-ZDUSSCGKSA-N 1 3 302.419 -0.632 20 0 DBADHO C[NH2+]CCOCCNC(=O)N1CCC(OCCN(C)C)CC1 ZINC000627176225 381119395 /nfs/dbraw/zinc/11/93/95/381119395.db2.gz NMVQFIVYPAXEKZ-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC000627245546 381274993 /nfs/dbraw/zinc/27/49/93/381274993.db2.gz PMCLDHGJLNUQSP-CYZMBNFOSA-N 1 3 307.402 -0.166 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccnn1C ZINC000130588129 381408196 /nfs/dbraw/zinc/40/81/96/381408196.db2.gz FFNQROKUDZRZGT-UHFFFAOYSA-N 1 3 310.402 -0.690 20 0 DBADHO O=C(C[C@H]1CC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000130677459 381410140 /nfs/dbraw/zinc/41/01/40/381410140.db2.gz NRQPWTMIYHHJBO-CQSZACIVSA-N 1 3 308.426 -0.247 20 0 DBADHO O=C(NC[C@H]1CCCN(CCn2cncn2)C1)[C@@H]1CCC[NH2+]1 ZINC000262515440 381628319 /nfs/dbraw/zinc/62/83/19/381628319.db2.gz NLUCDWPWSGIFCO-KGLIPLIRSA-N 1 3 306.414 -0.142 20 0 DBADHO CN(C)[C@@]1(CNC(=O)c2cn(CCC[NH3+])nn2)CCSC1 ZINC000567807712 381713381 /nfs/dbraw/zinc/71/33/81/381713381.db2.gz VEXBHNXMWPEPEC-CYBMUJFWSA-N 1 3 312.443 -0.206 20 0 DBADHO O=C(NCCNc1ccncc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567787574 381714604 /nfs/dbraw/zinc/71/46/04/381714604.db2.gz SSUACCMCMZASAH-CYBMUJFWSA-N 1 3 315.381 -0.311 20 0 DBADHO CCN1CCC(NC(=O)CN2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000566918180 381675737 /nfs/dbraw/zinc/67/57/37/381675737.db2.gz PPCHQEBMJKZVIT-MRXNPFEDSA-N 1 3 323.485 -0.434 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1cccnc1 ZINC000163824203 381799430 /nfs/dbraw/zinc/79/94/30/381799430.db2.gz JKPJCGYUJITGSD-UHFFFAOYSA-N 1 3 321.425 -0.237 20 0 DBADHO CN1CCN(C(=O)CC[N@@H+]2C[C@H](CN)C3(C2)CCOCC3)CC1 ZINC000573444491 381827321 /nfs/dbraw/zinc/82/73/21/381827321.db2.gz DDJFYEBFMYLZJB-HNNXBMFYSA-N 1 3 324.469 -0.162 20 0 DBADHO CN1CCN(C(=O)CC[N@H+]2C[C@H](CN)C3(C2)CCOCC3)CC1 ZINC000573444491 381827328 /nfs/dbraw/zinc/82/73/28/381827328.db2.gz DDJFYEBFMYLZJB-HNNXBMFYSA-N 1 3 324.469 -0.162 20 0 DBADHO CN1CCN(C(=O)CCN2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000573444491 381827333 /nfs/dbraw/zinc/82/73/33/381827333.db2.gz DDJFYEBFMYLZJB-HNNXBMFYSA-N 1 3 324.469 -0.162 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)C[C@@H]21 ZINC000572868812 381803172 /nfs/dbraw/zinc/80/31/72/381803172.db2.gz IDZZMOPFCHUZCP-QRTUWBSPSA-N 1 3 320.437 -0.265 20 0 DBADHO CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000572901549 381805924 /nfs/dbraw/zinc/80/59/24/381805924.db2.gz PSMPYHTWJKQYCG-CHWSQXEVSA-N 1 3 309.414 -0.576 20 0 DBADHO CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000572901549 381805929 /nfs/dbraw/zinc/80/59/29/381805929.db2.gz PSMPYHTWJKQYCG-CHWSQXEVSA-N 1 3 309.414 -0.576 20 0 DBADHO COC[C@@]1(C(=O)NC[C@H](O)CN2CCC(C)CC2)CC[NH2+]C1 ZINC000573203732 381817640 /nfs/dbraw/zinc/81/76/40/381817640.db2.gz UFKSXUWIKXCVIX-GOEBONIOSA-N 1 3 313.442 -0.179 20 0 DBADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000574823422 381880045 /nfs/dbraw/zinc/88/00/45/381880045.db2.gz LCHCXJMYTLFWIZ-HZSPNIEDSA-N 1 3 323.441 -0.328 20 0 DBADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000574823422 381880047 /nfs/dbraw/zinc/88/00/47/381880047.db2.gz LCHCXJMYTLFWIZ-HZSPNIEDSA-N 1 3 323.441 -0.328 20 0 DBADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1O ZINC000575079356 381884694 /nfs/dbraw/zinc/88/46/94/381884694.db2.gz WSXKJINWZMYSIJ-KKUMJFAQSA-N 1 3 311.426 -0.237 20 0 DBADHO CN(C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1O ZINC000575079356 381884700 /nfs/dbraw/zinc/88/47/00/381884700.db2.gz WSXKJINWZMYSIJ-KKUMJFAQSA-N 1 3 311.426 -0.237 20 0 DBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000574031720 381847932 /nfs/dbraw/zinc/84/79/32/381847932.db2.gz RHUBGBQWRAFAHG-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO COC[C@]1(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC[NH2+]C1 ZINC000574397085 381863274 /nfs/dbraw/zinc/86/32/74/381863274.db2.gz HBXKYHFHMUTIMV-ZBFHGGJFSA-N 1 3 312.458 -0.388 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000574466551 381865428 /nfs/dbraw/zinc/86/54/28/381865428.db2.gz LFYZHCULUMFNMB-KGYLQXTDSA-N 1 3 309.414 -0.578 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000574466551 381865432 /nfs/dbraw/zinc/86/54/32/381865432.db2.gz LFYZHCULUMFNMB-KGYLQXTDSA-N 1 3 309.414 -0.578 20 0 DBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1CNCCO1 ZINC000575308731 381891328 /nfs/dbraw/zinc/89/13/28/381891328.db2.gz GCKNAYYHWDSSFF-CHWSQXEVSA-N 1 3 312.414 -0.789 20 0 DBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC000575308740 381891423 /nfs/dbraw/zinc/89/14/23/381891423.db2.gz GCKNAYYHWDSSFF-OLZOCXBDSA-N 1 3 312.414 -0.789 20 0 DBADHO CC[N@@H+]1CC[C@H]2OCCN(C[C@H](O)CN(C)CCOC)[C@H]2C1 ZINC000577623324 381967290 /nfs/dbraw/zinc/96/72/90/381967290.db2.gz LVMYZPCMEXRLKT-OWCLPIDISA-N 1 3 315.458 -0.280 20 0 DBADHO CC[N@H+]1CC[C@H]2OCCN(C[C@H](O)CN(C)CCOC)[C@H]2C1 ZINC000577623324 381967299 /nfs/dbraw/zinc/96/72/99/381967299.db2.gz LVMYZPCMEXRLKT-OWCLPIDISA-N 1 3 315.458 -0.280 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000580551035 381943730 /nfs/dbraw/zinc/94/37/30/381943730.db2.gz SHJSEPWAHKGUHM-CZUORRHYSA-N 1 3 308.426 -0.249 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000578731107 382031753 /nfs/dbraw/zinc/03/17/53/382031753.db2.gz CAXYUWXJGNPNNS-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579572048 382077124 /nfs/dbraw/zinc/07/71/24/382077124.db2.gz WGZRXHLEVUAIQS-ZFWWWQNUSA-N 1 3 307.442 -0.088 20 0 DBADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581245216 382135697 /nfs/dbraw/zinc/13/56/97/382135697.db2.gz HGBWPKLAYLGXDV-RDBSUJKOSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[N@@H+]1C ZINC000581559939 382157148 /nfs/dbraw/zinc/15/71/48/382157148.db2.gz PZCFOULDWXSILG-FDYHWXHSSA-N 1 3 309.414 -0.578 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[N@H+]1C ZINC000581559939 382157151 /nfs/dbraw/zinc/15/71/51/382157151.db2.gz PZCFOULDWXSILG-FDYHWXHSSA-N 1 3 309.414 -0.578 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642440172 382167744 /nfs/dbraw/zinc/16/77/44/382167744.db2.gz XUTYUOPSWGVZEH-HZSPNIEDSA-N 1 3 308.426 -0.345 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000642439420 382168446 /nfs/dbraw/zinc/16/84/46/382168446.db2.gz GNJJAOPGFUOSFD-STQMWFEESA-N 1 3 312.414 -0.837 20 0 DBADHO Cn1c(CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000581726741 382172791 /nfs/dbraw/zinc/17/27/91/382172791.db2.gz CVYDCJQMIQYVQE-OLZOCXBDSA-N 1 3 306.410 -0.095 20 0 DBADHO Cn1c(CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000581726742 382173406 /nfs/dbraw/zinc/17/34/06/382173406.db2.gz CVYDCJQMIQYVQE-QWHCGFSZSA-N 1 3 306.410 -0.095 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC000072996129 382322048 /nfs/dbraw/zinc/32/20/48/382322048.db2.gz HWAYBCLBJDHSLB-KBPBESRZSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000074252989 382327263 /nfs/dbraw/zinc/32/72/63/382327263.db2.gz GXUFIZDAUVBSGR-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000619898468 382431471 /nfs/dbraw/zinc/43/14/71/382431471.db2.gz GNLQWJAXHLXLRN-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000619898468 382431478 /nfs/dbraw/zinc/43/14/78/382431478.db2.gz GNLQWJAXHLXLRN-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)C[NH2+]1 ZINC000627323403 382492604 /nfs/dbraw/zinc/49/26/04/382492604.db2.gz VMKMHGKMEYVQNF-YPMHNXCESA-N 1 3 308.426 -0.014 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)NCC1(N(C)C)CCC1 ZINC000627341505 382527719 /nfs/dbraw/zinc/52/77/19/382527719.db2.gz JYFULMQARBXAPJ-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO CS(=O)(=O)C1(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCNCC1 ZINC000621699277 382499254 /nfs/dbraw/zinc/49/92/54/382499254.db2.gz QKBYTSOKQJFLCK-DGCLKSJQSA-N 1 3 315.439 -0.507 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1=O ZINC000621699227 382499402 /nfs/dbraw/zinc/49/94/02/382499402.db2.gz PEAPXTQBMKWAQT-XJKCOSOUSA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@H](Cn1cncn1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077804101 382502018 /nfs/dbraw/zinc/50/20/18/382502018.db2.gz WLXJWTNOHMZSHG-CYBMUJFWSA-N 1 3 311.434 -0.199 20 0 DBADHO CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621838050 382514132 /nfs/dbraw/zinc/51/41/32/382514132.db2.gz WSUAMLGLBQXCTD-LRDDRELGSA-N 1 3 308.426 -0.073 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621849324 382518412 /nfs/dbraw/zinc/51/84/12/382518412.db2.gz RVCBKZFYPLJGQX-WWGRRREGSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622027813 382535070 /nfs/dbraw/zinc/53/50/70/382535070.db2.gz ICASIRFUHHGTKN-XJKCOSOUSA-N 1 3 308.426 -0.121 20 0 DBADHO C[NH+](C)CCOc1ccc(CCNc2nc(N)nc(N)n2)cc1 ZINC000623939488 382587126 /nfs/dbraw/zinc/58/71/26/382587126.db2.gz RHIREHMMQDVIOM-UHFFFAOYSA-N 1 3 317.397 -0.286 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627489990 382633892 /nfs/dbraw/zinc/63/38/92/382633892.db2.gz QEIWXPGRUYCQLL-UHFFFAOYSA-N 1 3 314.430 -0.588 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCSC1 ZINC000627371027 382619937 /nfs/dbraw/zinc/61/99/37/382619937.db2.gz SUNMUHFGBVTVDV-ZWNOBZJWSA-N 1 3 300.428 -0.982 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627385026 382621118 /nfs/dbraw/zinc/62/11/18/382621118.db2.gz XALJCMNHDXCGKG-OLZOCXBDSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000627425415 382625042 /nfs/dbraw/zinc/62/50/42/382625042.db2.gz PAAMWQGSKFMWRP-DGAVXFQQSA-N 1 3 308.426 -0.014 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627440675 382627351 /nfs/dbraw/zinc/62/73/51/382627351.db2.gz QXGXSYDSHYUPKY-CYBMUJFWSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627455400 382628396 /nfs/dbraw/zinc/62/83/96/382628396.db2.gz USVHYGCASVALKC-UHFFFAOYSA-N 1 3 312.414 -0.835 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000627465115 382629976 /nfs/dbraw/zinc/62/99/76/382629976.db2.gz XSQLGEPBTNSQED-ZDUSSCGKSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000633568384 382687181 /nfs/dbraw/zinc/68/71/81/382687181.db2.gz YMEOQEHTCHPJLJ-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000633568384 382687183 /nfs/dbraw/zinc/68/71/83/382687183.db2.gz YMEOQEHTCHPJLJ-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082278 382681233 /nfs/dbraw/zinc/68/12/33/382681233.db2.gz PKJCSQKUWPEGRB-MJBXVCDLSA-N 1 3 306.410 -0.354 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633101304 382682795 /nfs/dbraw/zinc/68/27/95/382682795.db2.gz WARZAOZDJGDHPR-CRWXNKLISA-N 1 3 306.410 -0.356 20 0 DBADHO C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)[C@H](C)[NH3+] ZINC000418703392 533125228 /nfs/dbraw/zinc/12/52/28/533125228.db2.gz QNHVCHKSBIGDRH-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO Cn1c(CN2CCC([C@H]3CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000357086280 220695699 /nfs/dbraw/zinc/69/56/99/220695699.db2.gz UNMHHODQZRBTCW-ZDUSSCGKSA-N 1 3 306.410 -0.095 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(N)=O ZINC000170628292 285246097 /nfs/dbraw/zinc/24/60/97/285246097.db2.gz SBNHKALMUOSWQF-CHWSQXEVSA-N 1 3 313.446 -0.082 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(N)=O ZINC000170628292 285246100 /nfs/dbraw/zinc/24/61/00/285246100.db2.gz SBNHKALMUOSWQF-CHWSQXEVSA-N 1 3 313.446 -0.082 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447445245 285319982 /nfs/dbraw/zinc/31/99/82/285319982.db2.gz AADWHNDDLDSYBB-KGLIPLIRSA-N 1 3 300.447 -0.260 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649320288 392034248 /nfs/dbraw/zinc/03/42/48/392034248.db2.gz SZXHSEAGZVQZRV-NHAGDIPZSA-N 1 3 306.410 -0.782 20 0 DBADHO C[C@@H](C(=O)N1CCOCC1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000649412367 392066856 /nfs/dbraw/zinc/06/68/56/392066856.db2.gz DFQURBIQDDSNDG-JKSUJKDBSA-N 1 3 324.469 -0.149 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000649410624 392067171 /nfs/dbraw/zinc/06/71/71/392067171.db2.gz KOWDAZSXDMIXNI-SWLSCSKDSA-N 1 3 310.442 -0.223 20 0 DBADHO C[C@H](CNC(=O)COCC(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000357160627 392382775 /nfs/dbraw/zinc/38/27/75/392382775.db2.gz AZCGGAGVEACCIQ-VXGBXAGGSA-N 1 3 302.419 -0.864 20 0 DBADHO C[C@H](CNC(=O)CSCC(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000357164496 392383623 /nfs/dbraw/zinc/38/36/23/392383623.db2.gz MNXIMDBSNVZCAQ-TXEJJXNPSA-N 1 3 318.487 -0.148 20 0 DBADHO C[C@H](CNC(=O)CSCC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000357164496 392383626 /nfs/dbraw/zinc/38/36/26/392383626.db2.gz MNXIMDBSNVZCAQ-TXEJJXNPSA-N 1 3 318.487 -0.148 20 0 DBADHO CCN(CC)C(=O)CN1CCCN(CCOCC[NH3+])CC1 ZINC000357079533 392379924 /nfs/dbraw/zinc/37/99/24/392379924.db2.gz LDUMHJZUILCLOV-UHFFFAOYSA-N 1 3 300.447 -0.162 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CNCCC1(F)F ZINC000647076314 392412236 /nfs/dbraw/zinc/41/22/36/392412236.db2.gz UYQSTTICXIYZEJ-NXEZZACHSA-N 1 3 304.341 -0.642 20 0 DBADHO O=C(C[C@H]1COCCN1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000647085683 392415427 /nfs/dbraw/zinc/41/54/27/392415427.db2.gz BPTOYGAJUBRMJC-SLTAFYQDSA-N 1 3 310.442 -0.303 20 0 DBADHO O=C(C[C@H]1COCCN1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000647085683 392415434 /nfs/dbraw/zinc/41/54/34/392415434.db2.gz BPTOYGAJUBRMJC-SLTAFYQDSA-N 1 3 310.442 -0.303 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419452231 392442906 /nfs/dbraw/zinc/44/29/06/392442906.db2.gz OWCGDKIWJUSOES-QWHCGFSZSA-N 1 3 314.430 -0.543 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419671252 392478463 /nfs/dbraw/zinc/47/84/63/392478463.db2.gz DOWXNIRGBWWSSH-QWHCGFSZSA-N 1 3 314.430 -0.543 20 0 DBADHO CN1CCN(C[C@@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000647517792 392632335 /nfs/dbraw/zinc/63/23/35/392632335.db2.gz DPAOHFVSUZFLJE-CVEARBPZSA-N 1 3 314.474 -0.969 20 0 DBADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)CC1 ZINC000647517792 392632338 /nfs/dbraw/zinc/63/23/38/392632338.db2.gz DPAOHFVSUZFLJE-CVEARBPZSA-N 1 3 314.474 -0.969 20 0 DBADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000423219115 392637834 /nfs/dbraw/zinc/63/78/34/392637834.db2.gz WDVVCYURPNVJCI-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO CN(CCC[NH3+])CCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000647849516 392904352 /nfs/dbraw/zinc/90/43/52/392904352.db2.gz WKRYRYKALSHUAP-UHFFFAOYSA-N 1 3 314.411 -0.057 20 0 DBADHO O=C(CNC1CC1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000571042903 392859547 /nfs/dbraw/zinc/85/95/47/392859547.db2.gz UGVRCENBMZXHJO-TZMCWYRMSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000645263849 392930080 /nfs/dbraw/zinc/93/00/80/392930080.db2.gz WRZVIWOKPXKNCP-CHWSQXEVSA-N 1 3 323.441 -0.016 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000303247405 392979811 /nfs/dbraw/zinc/97/98/11/392979811.db2.gz DRNIVWZDYVSMTQ-NEPJUHHUSA-N 1 3 314.430 -0.145 20 0 DBADHO CCN(CCO)CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416025817 393000134 /nfs/dbraw/zinc/00/01/34/393000134.db2.gz HLCMPEREYZVIKT-SECBINFHSA-N 1 3 300.325 -0.121 20 0 DBADHO CN1CCC[C@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417274770 393025998 /nfs/dbraw/zinc/02/59/98/393025998.db2.gz ASNBIEPNTBHXRT-OLZOCXBDSA-N 1 3 311.430 -0.423 20 0 DBADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417419540 393044382 /nfs/dbraw/zinc/04/43/82/393044382.db2.gz DEJACLXPURKYNI-RWMBFGLXSA-N 1 3 313.446 -0.036 20 0 DBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343301592 393061602 /nfs/dbraw/zinc/06/16/02/393061602.db2.gz OXZTZMDODXQMCU-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343301592 393061606 /nfs/dbraw/zinc/06/16/06/393061606.db2.gz OXZTZMDODXQMCU-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(CCOC1C[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000349046722 393186627 /nfs/dbraw/zinc/18/66/27/393186627.db2.gz GGLFDENOWLCTJV-UHFFFAOYSA-N 1 3 324.425 -0.869 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351553389 393285441 /nfs/dbraw/zinc/28/54/41/393285441.db2.gz DTKMQICACKNSPK-HZSPNIEDSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000331417446 393323753 /nfs/dbraw/zinc/32/37/53/393323753.db2.gz SUQCPLJJJOTMGR-KWCYVHTRSA-N 1 3 308.426 -0.075 20 0 DBADHO CCCN(C(=O)C(=O)N1CCN2CCC[C@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000332113618 393327990 /nfs/dbraw/zinc/32/79/90/393327990.db2.gz HBWMQRRUAVRSPN-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418424269 393500481 /nfs/dbraw/zinc/50/04/81/393500481.db2.gz GRTGFNCGXFGJQT-GFCCVEGCSA-N 1 3 311.430 -0.328 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418853592 393516777 /nfs/dbraw/zinc/51/67/77/393516777.db2.gz SLUUGUNKBDGUPJ-HIFRSBDPSA-N 1 3 320.437 -0.014 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418879063 393525793 /nfs/dbraw/zinc/52/57/93/393525793.db2.gz RWPDXPVFAQWYOY-DZGCQCFKSA-N 1 3 320.437 -0.014 20 0 DBADHO C[C@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCC(C)CC1 ZINC000419147301 393550196 /nfs/dbraw/zinc/55/01/96/393550196.db2.gz IIXVNMTUDIUHBQ-CYBMUJFWSA-N 1 3 314.430 -0.997 20 0 DBADHO C[NH+](C)CC[C@@H](NC(=O)C(=O)N(CCN)CCO)C(C)(C)C ZINC000419138045 393550488 /nfs/dbraw/zinc/55/04/88/393550488.db2.gz RXUAMGMGVGNFLR-GFCCVEGCSA-N 1 3 316.446 -0.751 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(CC2CCCC2)C1 ZINC000419220921 393553378 /nfs/dbraw/zinc/55/33/78/393553378.db2.gz AGAXJHWDUVNUDJ-ZIAGYGMSSA-N 1 3 308.426 -0.155 20 0 DBADHO [NH3+]CCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419412577 393575466 /nfs/dbraw/zinc/57/54/66/393575466.db2.gz CMKJDJQHOWMAIX-UHFFFAOYSA-N 1 3 304.394 -0.374 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419431775 393577201 /nfs/dbraw/zinc/57/72/01/393577201.db2.gz XTFUXINEBINMFD-OLZOCXBDSA-N 1 3 312.414 -0.837 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000419409233 393572556 /nfs/dbraw/zinc/57/25/56/393572556.db2.gz MPHAIZYXHDOGEG-RDBSUJKOSA-N 1 3 310.442 -0.051 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419454898 393582457 /nfs/dbraw/zinc/58/24/57/393582457.db2.gz UZPLQNXEQGDJKS-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419582525 393590625 /nfs/dbraw/zinc/59/06/25/393590625.db2.gz KGLBIORGMZBTBM-FZMZJTMJSA-N 1 3 316.471 -0.488 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCSC1 ZINC000419583477 393591195 /nfs/dbraw/zinc/59/11/95/393591195.db2.gz LEYBEBLKBNWEER-RISCZKNCSA-N 1 3 314.455 -0.592 20 0 DBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419883303 393591224 /nfs/dbraw/zinc/59/12/24/393591224.db2.gz MTWSCUZAIGBOHR-LBPRGKRZSA-N 1 3 308.382 -0.352 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@@H]1C[NH3+] ZINC000423718702 393614314 /nfs/dbraw/zinc/61/43/14/393614314.db2.gz DHFQFPLBNXLVNV-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@@H]1C[NH3+] ZINC000423724370 393615677 /nfs/dbraw/zinc/61/56/77/393615677.db2.gz HBHFUOYWVOQIKO-XJFOESAGSA-N 1 3 308.426 -0.265 20 0 DBADHO N[C@@H]1Cc2ccccc2N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000424071835 393627051 /nfs/dbraw/zinc/62/70/51/393627051.db2.gz FJEKWZRONQZNCD-OLZOCXBDSA-N 1 3 302.378 -0.229 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CCN(CC2CC2)C1 ZINC000645953425 393735570 /nfs/dbraw/zinc/73/55/70/393735570.db2.gz SVIQEIJALYUVEC-UONOGXRCSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCN(CC2CC2)C1 ZINC000645953423 393735922 /nfs/dbraw/zinc/73/59/22/393735922.db2.gz SVIQEIJALYUVEC-KBPBESRZSA-N 1 3 308.426 -0.155 20 0 DBADHO COC1CCN(CCNC(=O)C(C)(C)N2CC[NH2+]CC2)CC1 ZINC000646180973 393757061 /nfs/dbraw/zinc/75/70/61/393757061.db2.gz NRQXHOIVSDSTJE-UHFFFAOYSA-N 1 3 312.458 -0.103 20 0 DBADHO CC1(C)C[NH2+][C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000645929165 393729562 /nfs/dbraw/zinc/72/95/62/393729562.db2.gz XUIWBVXAMVGBSE-AWEZNQCLSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nc(N)nc(N(C)C)n1 ZINC000516577609 409805902 /nfs/dbraw/zinc/80/59/02/409805902.db2.gz ARGGVRHILDMEGE-UHFFFAOYSA-N 1 3 324.433 -0.915 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000332199149 287218606 /nfs/dbraw/zinc/21/86/06/287218606.db2.gz FGYJUJFBPYYUHN-REWJHTLYSA-N 1 3 308.426 -0.123 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662405216 411636323 /nfs/dbraw/zinc/63/63/23/411636323.db2.gz MBVCOPMHTSKDLS-LBPRGKRZSA-N 1 3 308.426 -0.025 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653150293 411651071 /nfs/dbraw/zinc/65/10/71/411651071.db2.gz XVSKBSUMBPBSLA-HOCLYGCPSA-N 1 3 310.442 -0.682 20 0 DBADHO CCO[C@@H]1CN(C(=O)NCCOCCN(C)C)C[C@H]1C[NH3+] ZINC000652182075 411789232 /nfs/dbraw/zinc/78/92/32/411789232.db2.gz ZWLVSZXYPMRHKP-CHWSQXEVSA-N 1 3 302.419 -0.430 20 0 DBADHO CCO[C@@H]1CN(CC(=O)NC2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000652356800 411795922 /nfs/dbraw/zinc/79/59/22/411795922.db2.gz INAXVUNIRUXXIW-UKRRQHHQSA-N 1 3 312.458 -0.118 20 0 DBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652621725 411807262 /nfs/dbraw/zinc/80/72/62/411807262.db2.gz SGYDBFDJNLHMQB-LBPRGKRZSA-N 1 3 322.413 -0.406 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000652622383 411807707 /nfs/dbraw/zinc/80/77/07/411807707.db2.gz IMUTWRCWDCQIRG-VXGBXAGGSA-N 1 3 322.413 -0.231 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@@H+]1C ZINC000652734614 411827760 /nfs/dbraw/zinc/82/77/60/411827760.db2.gz QGSFUEOTVZBGLD-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CCN(CCN(C)C)C(=O)C2)CC[N@H+]1C ZINC000652734614 411827764 /nfs/dbraw/zinc/82/77/64/411827764.db2.gz QGSFUEOTVZBGLD-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000659524231 411830594 /nfs/dbraw/zinc/83/05/94/411830594.db2.gz SLLXGKSEQMXPMI-GXSJLCMTSA-N 1 3 308.386 -0.042 20 0 DBADHO C[C@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[NH2+]1 ZINC000659538689 411833882 /nfs/dbraw/zinc/83/38/82/411833882.db2.gz BACGASPKLRIKTC-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000659674983 411860065 /nfs/dbraw/zinc/86/00/65/411860065.db2.gz PQIWDVBHNJROFQ-ZFWWWQNUSA-N 1 3 320.437 0.000 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000653766515 411895843 /nfs/dbraw/zinc/89/58/43/411895843.db2.gz FXHQFQVIIUCEPE-KFWWJZLASA-N 1 3 303.447 -0.688 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)N(CCO)C[C@H]1C ZINC000653766515 411895847 /nfs/dbraw/zinc/89/58/47/411895847.db2.gz FXHQFQVIIUCEPE-KFWWJZLASA-N 1 3 303.447 -0.688 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000658523920 411901843 /nfs/dbraw/zinc/90/18/43/411901843.db2.gz LIBXJWLHGROIMR-CQSZACIVSA-N 1 3 308.426 -0.297 20 0 DBADHO COCCC[N@H+](C)CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654462483 411938361 /nfs/dbraw/zinc/93/83/61/411938361.db2.gz YGDLELPNUSGMJO-UONOGXRCSA-N 1 3 314.430 -0.585 20 0 DBADHO COCCC[N@@H+](C)CCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654462483 411938365 /nfs/dbraw/zinc/93/83/65/411938365.db2.gz YGDLELPNUSGMJO-UONOGXRCSA-N 1 3 314.430 -0.585 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000653542458 411876875 /nfs/dbraw/zinc/87/68/75/411876875.db2.gz RABUKXMFFXZJKP-JYJNAYRXSA-N 1 3 315.458 -0.544 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN([C@H]2CCC[C@@H]2O)CC1 ZINC000653542458 411876880 /nfs/dbraw/zinc/87/68/80/411876880.db2.gz RABUKXMFFXZJKP-JYJNAYRXSA-N 1 3 315.458 -0.544 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656021768 411988646 /nfs/dbraw/zinc/98/86/46/411988646.db2.gz JOVVVKDMPJTEBO-IHRRRGAJSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656021769 411988991 /nfs/dbraw/zinc/98/89/91/411988991.db2.gz JOVVVKDMPJTEBO-MELADBBJSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656023968 411989241 /nfs/dbraw/zinc/98/92/41/411989241.db2.gz JSIGEEUOWBZATF-MELADBBJSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656023968 411989245 /nfs/dbraw/zinc/98/92/45/411989245.db2.gz JSIGEEUOWBZATF-MELADBBJSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656019571 411989399 /nfs/dbraw/zinc/98/93/99/411989399.db2.gz GJTCRZPGCUMNCY-MGPQQGTHSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656029409 411989897 /nfs/dbraw/zinc/98/98/97/411989897.db2.gz ZNAWSTUJDFEXJP-XGUBFFRZSA-N 1 3 320.437 -0.203 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028370 411991221 /nfs/dbraw/zinc/99/12/21/411991221.db2.gz KNQBNVPANLVWEN-MGPQQGTHSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[NH2+]CC1 ZINC000656028884 411991317 /nfs/dbraw/zinc/99/13/17/411991317.db2.gz SVIHYACARWXQFD-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO [NH3+][C@@H]1CCC[C@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000656197456 411998787 /nfs/dbraw/zinc/99/87/87/411998787.db2.gz KWBYMYUYRWLVFN-ILXRZTDVSA-N 1 3 310.442 -0.221 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656196022 411998852 /nfs/dbraw/zinc/99/88/52/411998852.db2.gz UAIDBRCZHVSIMR-OLZOCXBDSA-N 1 3 304.460 -0.577 20 0 DBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000656787749 412012363 /nfs/dbraw/zinc/01/23/63/412012363.db2.gz UCMJQXWINKQJEN-UONOGXRCSA-N 1 3 306.414 -0.203 20 0 DBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000656787749 412012364 /nfs/dbraw/zinc/01/23/64/412012364.db2.gz UCMJQXWINKQJEN-UONOGXRCSA-N 1 3 306.414 -0.203 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000658643199 412063640 /nfs/dbraw/zinc/06/36/40/412063640.db2.gz HCYJUEYJPWEJLD-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000658643199 412063646 /nfs/dbraw/zinc/06/36/46/412063646.db2.gz HCYJUEYJPWEJLD-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000659107306 412079688 /nfs/dbraw/zinc/07/96/88/412079688.db2.gz UVRIQMDOTCPFGM-GFCCVEGCSA-N 1 3 324.429 -0.127 20 0 DBADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)n1 ZINC000659098460 412079749 /nfs/dbraw/zinc/07/97/49/412079749.db2.gz RJFQGZSAVCDPOW-UHFFFAOYSA-N 1 3 322.413 -0.229 20 0 DBADHO C[C@@]1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCC[NH2+]C1 ZINC000659529057 412092011 /nfs/dbraw/zinc/09/20/11/412092011.db2.gz IPHSZYNNZWFLBZ-CQSZACIVSA-N 1 3 308.386 -0.170 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659534215 412092680 /nfs/dbraw/zinc/09/26/80/412092680.db2.gz BEKMSPDOEYXSMB-CHWSQXEVSA-N 1 3 313.446 -0.354 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000659628661 412097256 /nfs/dbraw/zinc/09/72/56/412097256.db2.gz IRLBJWLBYHVGMN-WCQGTBRESA-N 1 3 320.397 -0.090 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000659676187 412101852 /nfs/dbraw/zinc/10/18/52/412101852.db2.gz FUMGJMXAOOPLOU-OLZOCXBDSA-N 1 3 314.430 -0.672 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659725593 412115304 /nfs/dbraw/zinc/11/53/04/412115304.db2.gz YEAKBLBUONVPLZ-OLZOCXBDSA-N 1 3 312.414 -0.918 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000659725595 412115511 /nfs/dbraw/zinc/11/55/11/412115511.db2.gz YEAKBLBUONVPLZ-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000659728810 412115599 /nfs/dbraw/zinc/11/55/99/412115599.db2.gz ZOUZYMJWJACMSY-YXXKGXSTSA-N 1 3 320.437 -0.012 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000659738690 412117832 /nfs/dbraw/zinc/11/78/32/412117832.db2.gz ILRBHAMCPKXFQX-RWMBFGLXSA-N 1 3 312.414 -0.839 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741267 412119022 /nfs/dbraw/zinc/11/90/22/412119022.db2.gz IOMYVCYVACQRKY-FUJMWEONSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(CC1CCN(C)CC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659742601 412119638 /nfs/dbraw/zinc/11/96/38/412119638.db2.gz AYIWIKBJNFVWKL-UHFFFAOYSA-N 1 3 308.426 -0.345 20 0 DBADHO CN1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@@H](CN)C1 ZINC000662430474 412184138 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DBADHO CNC(=O)[C@@H]1CC[N@H+](C/C=C/CN2CC[C@H](C(=O)NC)C2)C1 ZINC000660833191 412148708 /nfs/dbraw/zinc/14/87/08/412148708.db2.gz QGKCSSWXPZGASL-ISANGGDFSA-N 1 3 308.426 -0.322 20 0 DBADHO CC(C)[N@H+](C)C[C@@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000660911371 412151011 /nfs/dbraw/zinc/15/10/11/412151011.db2.gz CFOUCDCYBCWRRP-CQSZACIVSA-N 1 3 300.447 -0.607 20 0 DBADHO CC(C)[N@@H+](C)C[C@@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000660911371 412151015 /nfs/dbraw/zinc/15/10/15/412151015.db2.gz CFOUCDCYBCWRRP-CQSZACIVSA-N 1 3 300.447 -0.607 20 0 DBADHO CO[C@@H]1COC[C@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665210499 412282488 /nfs/dbraw/zinc/28/24/88/412282488.db2.gz MKRMBOILLLCGQY-BFHYXJOUSA-N 1 3 316.446 -0.029 20 0 DBADHO CO[C@@H]1COC[C@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665210499 412282492 /nfs/dbraw/zinc/28/24/92/412282492.db2.gz MKRMBOILLLCGQY-BFHYXJOUSA-N 1 3 316.446 -0.029 20 0 DBADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662951750 412219598 /nfs/dbraw/zinc/21/95/98/412219598.db2.gz CEXJCRJFPYRLIS-STQMWFEESA-N 1 3 314.430 -0.639 20 0 DBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCOC2(CNC2)C1 ZINC000663493294 412234311 /nfs/dbraw/zinc/23/43/11/412234311.db2.gz GIFXGFCGGJYYBT-AWEZNQCLSA-N 1 3 311.426 -0.020 20 0 DBADHO C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CNCCC2(F)F)n1 ZINC000415217874 412294052 /nfs/dbraw/zinc/29/40/52/412294052.db2.gz RMONKLLHLQDJGP-JTQLQIEISA-N 1 3 316.356 0.563 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCOC1 ZINC000665760353 418939350 /nfs/dbraw/zinc/93/93/50/418939350.db2.gz GVICENMWGURUTQ-ZFWWWQNUSA-N 1 3 316.446 -0.291 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@]1(O)CCOC1 ZINC000665760353 418939353 /nfs/dbraw/zinc/93/93/53/418939353.db2.gz GVICENMWGURUTQ-ZFWWWQNUSA-N 1 3 316.446 -0.291 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000659738578 418959399 /nfs/dbraw/zinc/95/93/99/418959399.db2.gz GOXKZDNRCCFKJQ-RDBSUJKOSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)[C@@H]1C ZINC000665757230 544441205 /nfs/dbraw/zinc/44/12/05/544441205.db2.gz CHKTZCOJPHDYLH-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)[C@@H]1C ZINC000665757230 544441209 /nfs/dbraw/zinc/44/12/09/544441209.db2.gz CHKTZCOJPHDYLH-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000073476665 544468593 /nfs/dbraw/zinc/46/85/93/544468593.db2.gz UBTJLKSIDCTFCK-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000073476665 544468597 /nfs/dbraw/zinc/46/85/97/544468597.db2.gz UBTJLKSIDCTFCK-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])cn1 ZINC000430787643 544746662 /nfs/dbraw/zinc/74/66/62/544746662.db2.gz VTQBVNFJQLAAOQ-OLZOCXBDSA-N 1 3 322.413 -0.373 20 0 DBADHO C[C@@H](NC(=O)C(=O)N1CC[C@@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672013528 544761591 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/nfs/dbraw/zinc/27/89/74/266278974.db2.gz URRHLISBHLHAQS-ZDUSSCGKSA-N 1 3 310.442 -0.146 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CCN2C1=O ZINC000516492519 266281505 /nfs/dbraw/zinc/28/15/05/266281505.db2.gz MJOYBKXIDSODMV-XDQVBPFNSA-N 1 3 323.441 -0.295 20 0 DBADHO CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000516786828 266285015 /nfs/dbraw/zinc/28/50/15/266285015.db2.gz GYPKJJVVQRZSOJ-OLZOCXBDSA-N 1 3 311.430 -0.330 20 0 DBADHO CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C(C)C ZINC000516786828 266285017 /nfs/dbraw/zinc/28/50/17/266285017.db2.gz GYPKJJVVQRZSOJ-OLZOCXBDSA-N 1 3 311.430 -0.330 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CCN2C1=O ZINC000519182982 266308730 /nfs/dbraw/zinc/30/87/30/266308730.db2.gz FQBXHOGQTQKKPP-LNLATYFQSA-N 1 3 320.315 -0.701 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000519605817 266311537 /nfs/dbraw/zinc/31/15/37/266311537.db2.gz BMHZHBLVCVUEFO-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000521858923 266330363 /nfs/dbraw/zinc/33/03/63/266330363.db2.gz BPVRFTJNICNNHC-DGAVXFQQSA-N 1 3 308.426 -0.265 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303247416 277004313 /nfs/dbraw/zinc/00/43/13/277004313.db2.gz DRNIVWZDYVSMTQ-NWDGAFQWSA-N 1 3 314.430 -0.145 20 0 DBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358151602 288077397 /nfs/dbraw/zinc/07/73/97/288077397.db2.gz JYMMVHLZEALTEN-PMPSAXMXSA-N 1 3 324.469 -0.151 20 0 DBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358151602 288077400 /nfs/dbraw/zinc/07/74/00/288077400.db2.gz JYMMVHLZEALTEN-PMPSAXMXSA-N 1 3 324.469 -0.151 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000410785568 289126629 /nfs/dbraw/zinc/12/66/29/289126629.db2.gz UIZQFGWGTAKIJV-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000410785568 289126634 /nfs/dbraw/zinc/12/66/34/289126634.db2.gz UIZQFGWGTAKIJV-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000410785567 289126929 /nfs/dbraw/zinc/12/69/29/289126929.db2.gz UIZQFGWGTAKIJV-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410785567 289126932 /nfs/dbraw/zinc/12/69/32/289126932.db2.gz UIZQFGWGTAKIJV-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358505576 293024902 /nfs/dbraw/zinc/02/49/02/293024902.db2.gz KFZXOHNZTNJCPX-LBPRGKRZSA-N 1 3 312.414 -0.077 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000572705879 332285244 /nfs/dbraw/zinc/28/52/44/332285244.db2.gz SAGVLIMTXIWXQX-UONOGXRCSA-N 1 3 323.441 -0.328 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000569841603 332684457 /nfs/dbraw/zinc/68/44/57/332684457.db2.gz YRBDSEZNQDZXAT-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO O[C@H](C[NH2+]C[C@H](O)CN1CCOCC1)CN1CCCCC1 ZINC000567873369 333395626 /nfs/dbraw/zinc/39/56/26/333395626.db2.gz SZHFUEFMZYTIOZ-CABCVRRESA-N 1 3 301.431 -0.884 20 0 DBADHO COCCN(CCN(C)C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582607087 337113100 /nfs/dbraw/zinc/11/31/00/337113100.db2.gz RHLSDIOHWMZYIE-ZDUSSCGKSA-N 1 3 324.429 -0.320 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)NCCC3=CC[NH2+]CC3)CCN2C1=O ZINC000582916472 337217618 /nfs/dbraw/zinc/21/76/18/337217618.db2.gz UPCYIWGXNYSJEA-OLZOCXBDSA-N 1 3 307.398 -0.750 20 0 DBADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000574060561 341747375 /nfs/dbraw/zinc/74/73/75/341747375.db2.gz HLBBKDSIXYAIBS-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO [NH3+]C1CCC(OCC(=O)Nc2nc(N3CCNCC3)n[nH]2)CC1 ZINC000574636231 341764369 /nfs/dbraw/zinc/76/43/69/341764369.db2.gz PBCNABUVNJTKQH-UHFFFAOYSA-N 1 3 323.401 -0.561 20 0 DBADHO CC(C)[C@@H](CNC(=O)C(=O)NC1CNC1)[NH+]1CCC(C)CC1 ZINC000577486824 341911963 /nfs/dbraw/zinc/91/19/63/341911963.db2.gz VNZBXENETADXSN-CQSZACIVSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CN(C)C)NC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000418206224 533727135 /nfs/dbraw/zinc/72/71/35/533727135.db2.gz OKCPHIVPSIAPTR-QWHCGFSZSA-N 1 3 313.446 -0.034 20 0 DBADHO C[C@@H](CN(C)C)NC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000418206225 533728918 /nfs/dbraw/zinc/72/89/18/533728918.db2.gz OKCPHIVPSIAPTR-STQMWFEESA-N 1 3 313.446 -0.034 20 0 DBADHO CCN1CCN(CCC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC000343597271 521677605 /nfs/dbraw/zinc/67/76/05/521677605.db2.gz NBSBWJYSICUVBH-INIZCTEOSA-N 1 3 323.485 -0.480 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000346303158 521773665 /nfs/dbraw/zinc/77/36/65/521773665.db2.gz WSQCGJSPJAOADA-PBHICJAKSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000346303158 521773671 /nfs/dbraw/zinc/77/36/71/521773671.db2.gz WSQCGJSPJAOADA-PBHICJAKSA-N 1 3 322.453 -0.049 20 0 DBADHO C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2CNCCO2)CCSC1 ZINC000333406804 522063572 /nfs/dbraw/zinc/06/35/72/522063572.db2.gz QSICNHDKVMIGOG-WCQYABFASA-N 1 3 302.444 -0.289 20 0 DBADHO C[NH+](C)[C@]1(CNC(=O)[C@H]2CN3CCN2CCC3)CCSC1 ZINC000344007676 522110818 /nfs/dbraw/zinc/11/08/18/522110818.db2.gz DKAYZAMXOKRTDI-HIFRSBDPSA-N 1 3 312.483 -0.070 20 0 DBADHO CN1CCOC[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000344644210 523767414 /nfs/dbraw/zinc/76/74/14/523767414.db2.gz WXPOVYCLKDPUAN-MRXNPFEDSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@H](CN(C)C)NC(=O)COCC(=O)N[C@H](C)C[NH+](C)C ZINC000346175484 524288857 /nfs/dbraw/zinc/28/88/57/524288857.db2.gz ZETGUFKQBKQXEN-VXGBXAGGSA-N 1 3 302.419 -0.864 20 0 DBADHO C[C@H](CN(C)C)NC(=O)CC(O)CC(=O)N[C@H](C)C[NH+](C)C ZINC000346181824 524290362 /nfs/dbraw/zinc/29/03/62/524290362.db2.gz BTWYGQNPLHZXJT-VXGBXAGGSA-N 1 3 316.446 -0.740 20 0 DBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000333612559 524315066 /nfs/dbraw/zinc/31/50/66/524315066.db2.gz SFRODCAOXCUYBI-SCUASFONSA-N 1 3 306.414 -0.146 20 0 DBADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332621886 524990871 /nfs/dbraw/zinc/99/08/71/524990871.db2.gz HWZRNWRZTPZQKS-TZMCWYRMSA-N 1 3 308.426 -0.121 20 0 DBADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331656027 526382615 /nfs/dbraw/zinc/38/26/15/526382615.db2.gz WJVWNEREMRGQNX-KBPBESRZSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCCNCC1 ZINC000333742707 526481620 /nfs/dbraw/zinc/48/16/20/526481620.db2.gz XUMICOAKKWRSRT-LLVKDONJSA-N 1 3 323.363 -0.173 20 0 DBADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CN2CCN1CCC2 ZINC000344988539 527651781 /nfs/dbraw/zinc/65/17/81/527651781.db2.gz IYSQEXMCJGUWFL-CVEARBPZSA-N 1 3 324.469 -0.271 20 0 DBADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@@H]1CN2CCN1CCC2 ZINC000344988539 527651785 /nfs/dbraw/zinc/65/17/85/527651785.db2.gz IYSQEXMCJGUWFL-CVEARBPZSA-N 1 3 324.469 -0.271 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418413858 528083559 /nfs/dbraw/zinc/08/35/59/528083559.db2.gz KHJBJOOAHRMRGU-UHFFFAOYSA-N 1 3 313.446 -0.081 20 0 DBADHO CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1CNCCO1 ZINC000418772716 528122507 /nfs/dbraw/zinc/12/25/07/528122507.db2.gz STFMCTSTPOAQEW-CQSZACIVSA-N 1 3 316.446 -0.025 20 0 DBADHO CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2CNCCO2)CC1 ZINC000418770022 528252456 /nfs/dbraw/zinc/25/24/56/528252456.db2.gz QHYWEXFOSVLRFZ-ZIAGYGMSSA-N 1 3 314.430 -0.633 20 0 DBADHO CC(C)C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)C(=O)NCCN(C)C ZINC000418392440 528567407 /nfs/dbraw/zinc/56/74/07/528567407.db2.gz WETYQNWCSNFSQG-STQMWFEESA-N 1 3 313.446 -0.260 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC1=O ZINC000373066877 535881048 /nfs/dbraw/zinc/88/10/48/535881048.db2.gz WXGFTPWWVOOMGQ-MGPQQGTHSA-N 1 3 308.426 -0.393 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978682693 665558351 /nfs/dbraw/zinc/55/83/51/665558351.db2.gz XIYYNHVXFLYJGE-NGFQHRJXSA-N 1 3 322.453 -0.243 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978681747 665559073 /nfs/dbraw/zinc/55/90/73/665559073.db2.gz VDUQOMVTJFAXOZ-XQLPTFJDSA-N 1 3 322.453 -0.114 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1=O ZINC000424023726 665644336 /nfs/dbraw/zinc/64/43/36/665644336.db2.gz GGEVTSLUPAJZCI-CZUORRHYSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980398192 665758595 /nfs/dbraw/zinc/75/85/95/665758595.db2.gz VHBGBAAUVICEMJ-ZIAGYGMSSA-N 1 3 323.441 -0.504 20 0 DBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980398192 665758600 /nfs/dbraw/zinc/75/86/00/665758600.db2.gz VHBGBAAUVICEMJ-ZIAGYGMSSA-N 1 3 323.441 -0.504 20 0 DBADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037291 665826519 /nfs/dbraw/zinc/82/65/19/665826519.db2.gz SWVNWMDXNMQQHT-KRIMKBQASA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037291 665826521 /nfs/dbraw/zinc/82/65/21/665826521.db2.gz SWVNWMDXNMQQHT-KRIMKBQASA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037290 665826664 /nfs/dbraw/zinc/82/66/64/665826664.db2.gz SWVNWMDXNMQQHT-GYMHETDLSA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(NC[C@H]1CCC[N@@H+]1CCCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028037290 665826667 /nfs/dbraw/zinc/82/66/67/665826667.db2.gz SWVNWMDXNMQQHT-GYMHETDLSA-N 1 3 323.437 -0.187 20 0 DBADHO C[C@H](O)CN1CCCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645325 665864490 /nfs/dbraw/zinc/86/44/90/665864490.db2.gz ANPUZKCVXOPZNB-BOLLXYOYSA-N 1 3 323.437 -0.235 20 0 DBADHO C[C@H](O)CN1CCCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645325 665864492 /nfs/dbraw/zinc/86/44/92/665864492.db2.gz ANPUZKCVXOPZNB-BOLLXYOYSA-N 1 3 323.437 -0.235 20 0 DBADHO O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCCN(CCCO)CC1 ZINC000981645304 665864549 /nfs/dbraw/zinc/86/45/49/665864549.db2.gz ACTIJUIJHLUZKS-ISXOHVOVSA-N 1 3 323.437 -0.234 20 0 DBADHO O=C([C@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCCN(CCCO)CC1 ZINC000981645304 665864552 /nfs/dbraw/zinc/86/45/52/665864552.db2.gz ACTIJUIJHLUZKS-ISXOHVOVSA-N 1 3 323.437 -0.234 20 0 DBADHO O=C(N1CC[C@@H](N[C@@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969197238 663804438 /nfs/dbraw/zinc/80/44/38/663804438.db2.gz CDFGROJSEIVXFG-CHWSQXEVSA-N 1 3 306.410 -0.306 20 0 DBADHO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC000969595026 663849628 /nfs/dbraw/zinc/84/96/28/663849628.db2.gz KLYQIUDPLZCGCE-MGPQQGTHSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H](O)CN1CC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969688443 663857008 /nfs/dbraw/zinc/85/70/08/663857008.db2.gz WIOCVLBVELZJGL-CHWSQXEVSA-N 1 3 323.441 -0.124 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC000969722116 663859339 /nfs/dbraw/zinc/85/93/39/663859339.db2.gz LBBYULXULZGHIZ-IGQOVBAYSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC000969722116 663859342 /nfs/dbraw/zinc/85/93/42/663859342.db2.gz LBBYULXULZGHIZ-IGQOVBAYSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001020588707 663870135 /nfs/dbraw/zinc/87/01/35/663870135.db2.gz JRFDLPRAFJSCIF-ZDEQEGDKSA-N 1 3 322.409 -0.630 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC000969811533 663871540 /nfs/dbraw/zinc/87/15/40/663871540.db2.gz QNTCLRVTKRBKHF-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC000969845253 663874910 /nfs/dbraw/zinc/87/49/10/663874910.db2.gz XKPDQSJHGQDBDA-HZSPNIEDSA-N 1 3 310.442 -0.006 20 0 DBADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000969949332 663884212 /nfs/dbraw/zinc/88/42/12/663884212.db2.gz RQEDILUTYHLKEQ-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000969949332 663884214 /nfs/dbraw/zinc/88/42/14/663884214.db2.gz RQEDILUTYHLKEQ-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000969965757 663886223 /nfs/dbraw/zinc/88/62/23/663886223.db2.gz WVDISDMFTAOHOQ-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC000969985413 663889070 /nfs/dbraw/zinc/88/90/70/663889070.db2.gz HBPPHUJHDUOSLJ-OLZOCXBDSA-N 1 3 324.425 -0.334 20 0 DBADHO C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN(CCO)C1 ZINC000970168780 663934149 /nfs/dbraw/zinc/93/41/49/663934149.db2.gz HBJQFYZCLNICNM-AGBNJFSLSA-N 1 3 309.410 -0.722 20 0 DBADHO C[C@@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CCO)C1 ZINC000970168780 663934153 /nfs/dbraw/zinc/93/41/53/663934153.db2.gz HBJQFYZCLNICNM-AGBNJFSLSA-N 1 3 309.410 -0.722 20 0 DBADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970494726 663999419 /nfs/dbraw/zinc/99/94/19/663999419.db2.gz VWXJQWFZQIPCFR-OLZOCXBDSA-N 1 3 306.410 -0.497 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000970719400 664040944 /nfs/dbraw/zinc/04/09/44/664040944.db2.gz DUEKFDWQQTXYIX-CYBMUJFWSA-N 1 3 322.409 -0.578 20 0 DBADHO CN1CCN(C)CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000888979140 664238221 /nfs/dbraw/zinc/23/82/21/664238221.db2.gz HXFMRGJIXPUJBZ-INIZCTEOSA-N 1 3 312.458 -0.461 20 0 DBADHO CN1CCN(C)CCN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000888979140 664238226 /nfs/dbraw/zinc/23/82/26/664238226.db2.gz HXFMRGJIXPUJBZ-INIZCTEOSA-N 1 3 312.458 -0.461 20 0 DBADHO C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022455653 664282372 /nfs/dbraw/zinc/28/23/72/664282372.db2.gz XNVZPRJGVWWZFV-LGHUIFTDSA-N 1 3 309.410 -0.533 20 0 DBADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000926324635 664295160 /nfs/dbraw/zinc/29/51/60/664295160.db2.gz BHMHYENFHWEYAR-UONOGXRCSA-N 1 3 308.426 -0.120 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)C[C@H]1C(F)(F)F ZINC000892182985 664327539 /nfs/dbraw/zinc/32/75/39/664327539.db2.gz AKRSJKVQFYHIOX-OPRDCNLKSA-N 1 3 310.320 -0.247 20 0 DBADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022714492 664339871 /nfs/dbraw/zinc/33/98/71/664339871.db2.gz VOUQFLKOITUDAZ-JRPNMDOOSA-N 1 3 314.405 -0.079 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001022714459 664340197 /nfs/dbraw/zinc/34/01/97/664340197.db2.gz VJDIJFMJBGHICX-IGQOVBAYSA-N 1 3 308.426 -0.204 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)C1 ZINC001022714497 664340446 /nfs/dbraw/zinc/34/04/46/664340446.db2.gz VOUQFLKOITUDAZ-RWSFTLGLSA-N 1 3 314.405 -0.079 20 0 DBADHO CC1(C)CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001022717132 664341295 /nfs/dbraw/zinc/34/12/95/664341295.db2.gz QXUYKYPXVHHFKG-XQQFMLRXSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022719116 664341592 /nfs/dbraw/zinc/34/15/92/664341592.db2.gz HPZVPQVMXYMWCE-NRWUCQMLSA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022719116 664341599 /nfs/dbraw/zinc/34/15/99/664341599.db2.gz HPZVPQVMXYMWCE-NRWUCQMLSA-N 1 3 306.414 -0.250 20 0 DBADHO CN(C)[C@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC001011159225 664365808 /nfs/dbraw/zinc/36/58/08/664365808.db2.gz QKMQRULHBHZKRD-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)[C@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC001011159225 664365810 /nfs/dbraw/zinc/36/58/10/664365810.db2.gz QKMQRULHBHZKRD-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CC1)Cc1ccccc1 ZINC000910962308 674658941 /nfs/dbraw/zinc/65/89/41/674658941.db2.gz JDEBRJVGUMDCIG-CQSZACIVSA-N 1 3 318.421 -0.117 20 0 DBADHO O=C(CN1CCCC1)N1CCCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001025160913 664984757 /nfs/dbraw/zinc/98/47/57/664984757.db2.gz VORHPLIAVNFWAV-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000911148175 674683036 /nfs/dbraw/zinc/68/30/36/674683036.db2.gz MGYFCYUYUQXLFS-CRWXNKLISA-N 1 3 324.425 -0.791 20 0 DBADHO CC1(C)CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1[NH3+] ZINC000911148138 674683518 /nfs/dbraw/zinc/68/35/18/674683518.db2.gz LUEKGNTYRVKJEY-YNEHKIRRSA-N 1 3 324.425 -0.839 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911161264 674684594 /nfs/dbraw/zinc/68/45/94/674684594.db2.gz JYVZTNWZXVNFGZ-RFQIPJPRSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001026043501 665121408 /nfs/dbraw/zinc/12/14/08/665121408.db2.gz DFJQEGRKLCXKHB-ZHMBSYLPSA-N 1 3 320.437 -0.347 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCCNC4=O)C[C@H]32)C1 ZINC001026043501 665121410 /nfs/dbraw/zinc/12/14/10/665121410.db2.gz DFJQEGRKLCXKHB-ZHMBSYLPSA-N 1 3 320.437 -0.347 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001026043498 665121543 /nfs/dbraw/zinc/12/15/43/665121543.db2.gz DFJQEGRKLCXKHB-JHZZJYKESA-N 1 3 320.437 -0.347 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCCNC4=O)C[C@H]32)C1 ZINC001026043498 665121545 /nfs/dbraw/zinc/12/15/45/665121545.db2.gz DFJQEGRKLCXKHB-JHZZJYKESA-N 1 3 320.437 -0.347 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000911163367 674685346 /nfs/dbraw/zinc/68/53/46/674685346.db2.gz XCHJPLDZVFSHBB-KGLIPLIRSA-N 1 3 310.442 -0.194 20 0 DBADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@H]([NH2+]CC(N)=O)[C@@H]3C2)CCC1 ZINC001026284449 665154315 /nfs/dbraw/zinc/15/43/15/665154315.db2.gz SMNWGGMJLZJPHJ-XQQFMLRXSA-N 1 3 308.426 -0.217 20 0 DBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000911223407 674689485 /nfs/dbraw/zinc/68/94/85/674689485.db2.gz OAKQLTXDQVIVFX-BFHYXJOUSA-N 1 3 308.426 -0.170 20 0 DBADHO C[C@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1=CCN(C)CC1 ZINC000911218086 674691631 /nfs/dbraw/zinc/69/16/31/674691631.db2.gz HSENGKBPNPTGLZ-AHLTXXRQSA-N 1 3 306.410 -0.238 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911223669 674695060 /nfs/dbraw/zinc/69/50/60/674695060.db2.gz RCLJNVCPBBGMRC-WMLDXEAASA-N 1 3 320.437 -0.059 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027091135 665269286 /nfs/dbraw/zinc/26/92/86/665269286.db2.gz FBDKOOPYTCNWJA-WCQYABFASA-N 1 3 305.382 -0.331 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001027091120 665269479 /nfs/dbraw/zinc/26/94/79/665269479.db2.gz DXEXLZHFLSXAEK-ZYHUDNBSSA-N 1 3 319.365 -0.805 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027216961 665307591 /nfs/dbraw/zinc/30/75/91/665307591.db2.gz CGHPUERGMUIMHQ-KGLIPLIRSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911302234 674702657 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/nfs/dbraw/zinc/13/93/62/671139362.db2.gz KCHOWFAIUDCEQH-KGLIPLIRSA-N 1 3 323.441 -0.599 20 0 DBADHO C[C@@H]1[C@H](NC(=O)C(F)C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CCN1C ZINC000928431671 671223665 /nfs/dbraw/zinc/22/36/65/671223665.db2.gz OAYPHXFBIJFEQD-DDHJBXDOSA-N 1 3 314.405 -0.258 20 0 DBADHO C[C@@H]1[C@H](NC(=O)C(F)C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CCN1C ZINC000928431671 671223674 /nfs/dbraw/zinc/22/36/74/671223674.db2.gz OAYPHXFBIJFEQD-DDHJBXDOSA-N 1 3 314.405 -0.258 20 0 DBADHO CN1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2C)cc(C(N)=O)n1 ZINC000895766870 671367300 /nfs/dbraw/zinc/36/73/00/671367300.db2.gz FYVULLQZXCPAEA-QWRGUYRKSA-N 1 3 319.413 -0.193 20 0 DBADHO CN1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)cc(C(N)=O)n1 ZINC000895766870 671367304 /nfs/dbraw/zinc/36/73/04/671367304.db2.gz FYVULLQZXCPAEA-QWRGUYRKSA-N 1 3 319.413 -0.193 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896547706 671403829 /nfs/dbraw/zinc/40/38/29/671403829.db2.gz CJVBJQCKIYOEFV-QLFBSQMISA-N 1 3 312.458 -0.295 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896547706 671403839 /nfs/dbraw/zinc/40/38/39/671403839.db2.gz CJVBJQCKIYOEFV-QLFBSQMISA-N 1 3 312.458 -0.295 20 0 DBADHO C[NH+](C)CCOCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000788018273 671450703 /nfs/dbraw/zinc/45/07/03/671450703.db2.gz RLJRRCGUCQYVOA-KBPBESRZSA-N 1 3 314.430 -0.273 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985327967 671462526 /nfs/dbraw/zinc/46/25/26/671462526.db2.gz OSJSWCDUIKNWBZ-KGLIPLIRSA-N 1 3 308.426 -0.108 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC000985327967 671462528 /nfs/dbraw/zinc/46/25/28/671462528.db2.gz OSJSWCDUIKNWBZ-KGLIPLIRSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N[C@H](C)C1 ZINC000665763909 671483816 /nfs/dbraw/zinc/48/38/16/671483816.db2.gz ONHQYNJIBMQRIP-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N[C@H](C)C1 ZINC000665763909 671483818 /nfs/dbraw/zinc/48/38/18/671483818.db2.gz ONHQYNJIBMQRIP-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985794170 671528887 /nfs/dbraw/zinc/52/88/87/671528887.db2.gz ZQCBYOROGPSBGN-TZMCWYRMSA-N 1 3 308.426 -0.251 20 0 DBADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985794170 671528888 /nfs/dbraw/zinc/52/88/88/671528888.db2.gz ZQCBYOROGPSBGN-TZMCWYRMSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000986302217 671584631 /nfs/dbraw/zinc/58/46/31/671584631.db2.gz YTHNTNYZYKOIKT-NEPJUHHUSA-N 1 3 322.413 -0.877 20 0 DBADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000987166699 671653505 /nfs/dbraw/zinc/65/35/05/671653505.db2.gz IFWHNFCMTVOIKS-WCQYABFASA-N 1 3 322.413 -0.877 20 0 DBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987281669 671670362 /nfs/dbraw/zinc/67/03/62/671670362.db2.gz SATLJLKASZXICG-AAEUAGOBSA-N 1 3 312.414 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/nfs/dbraw/zinc/37/18/70/677371870.db2.gz SAGOJQGTVARWHU-HNNXBMFYSA-N 1 3 324.469 -0.007 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000938320093 677514430 /nfs/dbraw/zinc/51/44/30/677514430.db2.gz ZHCYZWFQEFXPFO-UONOGXRCSA-N 1 3 320.437 -0.107 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000938321904 677514576 /nfs/dbraw/zinc/51/45/76/677514576.db2.gz ZKAFABAVPXVIMU-LBPRGKRZSA-N 1 3 317.393 -0.235 20 0 DBADHO CC[NH+]1CC(N2CCN(C(=O)[C@H](C)CN3CCOCC3)CC2)C1 ZINC000941669033 677839569 /nfs/dbraw/zinc/83/95/69/677839569.db2.gz VNAQOLOWQMMMCW-OAHLLOKOSA-N 1 3 324.469 -0.197 20 0 DBADHO CC1(C)CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CCO ZINC000996075352 678214656 /nfs/dbraw/zinc/21/46/56/678214656.db2.gz ZKWCCWVUNAEZAF-CWVKQELPSA-N 1 3 323.437 -0.332 20 0 DBADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1N[C@@H]1CCNC1=O ZINC000996522700 678259493 /nfs/dbraw/zinc/25/94/93/678259493.db2.gz YZJUFPMJOPITGE-OLZOCXBDSA-N 1 3 320.437 -0.203 20 0 DBADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1N[C@H]1CCNC1=O ZINC000996522702 678259825 /nfs/dbraw/zinc/25/98/25/678259825.db2.gz YZJUFPMJOPITGE-STQMWFEESA-N 1 3 320.437 -0.203 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996610782 678269784 /nfs/dbraw/zinc/26/97/84/678269784.db2.gz KLLJYHQGBSTPJA-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](NCC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996610782 678269787 /nfs/dbraw/zinc/26/97/87/678269787.db2.gz KLLJYHQGBSTPJA-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)C1CCC1 ZINC000996665640 678277194 /nfs/dbraw/zinc/27/71/94/678277194.db2.gz NWEVNQMGBBKSMG-AWEZNQCLSA-N 1 3 308.426 -0.060 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC000997240699 678421306 /nfs/dbraw/zinc/42/13/06/678421306.db2.gz WPWWJHNPWLVHRQ-GXFFZTMASA-N 1 3 319.409 -0.215 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC000997240699 678421310 /nfs/dbraw/zinc/42/13/10/678421310.db2.gz WPWWJHNPWLVHRQ-GXFFZTMASA-N 1 3 319.409 -0.215 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000998551750 678613953 /nfs/dbraw/zinc/61/39/53/678613953.db2.gz PRVFBWOXTCYFII-YIZWMMSDSA-N 1 3 306.414 -0.012 20 0 DBADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC000999349445 678711382 /nfs/dbraw/zinc/71/13/82/678711382.db2.gz SROXQYGRXHYPBM-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)C1(C(=O)N2CCC[C@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC000999349441 678711619 /nfs/dbraw/zinc/71/16/19/678711619.db2.gz SROXQYGRXHYPBM-QWHCGFSZSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@H]2CCN(C)C2=O)C1 ZINC000999838262 678748367 /nfs/dbraw/zinc/74/83/67/678748367.db2.gz VFLJDHCGFLKJOI-RUXDESIVSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999854649 678750248 /nfs/dbraw/zinc/75/02/48/678750248.db2.gz DKJVDPQGEIJBTH-ZDUSSCGKSA-N 1 3 320.437 -0.107 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000999832287 678751813 /nfs/dbraw/zinc/75/18/13/678751813.db2.gz CDWKTVBQRSAFGP-UHFFFAOYSA-N 1 3 323.441 -0.314 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000999892992 678756835 /nfs/dbraw/zinc/75/68/35/678756835.db2.gz FQPUSOMCJNRMNV-OCCSQVGLSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000999892992 678756840 /nfs/dbraw/zinc/75/68/40/678756840.db2.gz FQPUSOMCJNRMNV-OCCSQVGLSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000999867433 678760770 /nfs/dbraw/zinc/76/07/70/678760770.db2.gz BJBPHSPUNUBYOV-OLZOCXBDSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000999867433 678760775 /nfs/dbraw/zinc/76/07/75/678760775.db2.gz BJBPHSPUNUBYOV-OLZOCXBDSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)C1 ZINC000999873104 678762343 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/nfs/dbraw/zinc/97/23/13/678972313.db2.gz FFBQXHRLCWKAOB-YUELXQCFSA-N 1 3 322.453 -0.005 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000842165119 805584582 /nfs/dbraw/zinc/58/45/82/805584582.db2.gz SNJBCVNZLVRPSC-MELADBBJSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842202607 805587975 /nfs/dbraw/zinc/58/79/75/805587975.db2.gz OUZWJNHHMQFCKK-RHSMWYFYSA-N 1 3 320.437 -0.059 20 0 DBADHO CC[C@H](CNS(C)(=O)=O)NC(=[NH2+])NC[C@@H]1CCCN1CC ZINC000849114513 805857761 /nfs/dbraw/zinc/85/77/61/805857761.db2.gz LKUZTXOPANPDPL-NEPJUHHUSA-N 1 3 319.475 -0.088 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCN1CCOCCO ZINC001316796261 805988871 /nfs/dbraw/zinc/98/88/71/805988871.db2.gz HFYWSPUBXBLZGU-KGLIPLIRSA-N 1 3 311.426 -0.330 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1=NN(C)C(=O)CC1 ZINC000855346236 806073683 /nfs/dbraw/zinc/07/36/83/806073683.db2.gz SPTWDXZUOYCEDO-LBPRGKRZSA-N 1 3 311.430 -0.017 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1=NN(C)C(=O)CC1 ZINC000855346236 806073691 /nfs/dbraw/zinc/07/36/91/806073691.db2.gz SPTWDXZUOYCEDO-LBPRGKRZSA-N 1 3 311.430 -0.017 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001317593513 806198452 /nfs/dbraw/zinc/19/84/52/806198452.db2.gz XVASZBVQNPYTHC-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CCNCC(=O)NC(N)=O ZINC001317593513 806198453 /nfs/dbraw/zinc/19/84/53/806198453.db2.gz XVASZBVQNPYTHC-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO [NH3+]CC1(NC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCOCC1 ZINC000861573520 806275778 /nfs/dbraw/zinc/27/57/78/806275778.db2.gz HZNSNPKYWPJLRT-OLZOCXBDSA-N 1 3 312.414 -0.343 20 0 DBADHO [NH3+]CCCOCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861573560 806276108 /nfs/dbraw/zinc/27/61/08/806276108.db2.gz JBLDPCJCTGUIEO-QWHCGFSZSA-N 1 3 300.403 -0.486 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000861729014 806285640 /nfs/dbraw/zinc/28/56/40/806285640.db2.gz NOXMSMGVCYQLTD-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])N1CCCCC1 ZINC000861728864 806285347 /nfs/dbraw/zinc/28/53/47/806285347.db2.gz MEJLNYYCFZDCNO-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO C[C@H](CNC(=O)C(=O)NCCOCCC[NH3+])N1CCCCC1 ZINC000861728808 806285507 /nfs/dbraw/zinc/28/55/07/806285507.db2.gz LEQULOJBODUVRW-CYBMUJFWSA-N 1 3 314.430 -0.541 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2C[NH2+]CCOCCO)C1 ZINC001319111905 806346093 /nfs/dbraw/zinc/34/60/93/806346093.db2.gz OTUYLMANXHGUDC-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001319132379 806348458 /nfs/dbraw/zinc/34/84/58/806348458.db2.gz KCDJSMMRNCQWAD-OLZOCXBDSA-N 1 3 324.425 -0.288 20 0 DBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000863753996 806371804 /nfs/dbraw/zinc/37/18/04/806371804.db2.gz LMNZEODOOROZEI-OLZOCXBDSA-N 1 3 314.430 -0.639 20 0 DBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000863753998 806372266 /nfs/dbraw/zinc/37/22/66/806372266.db2.gz LMNZEODOOROZEI-STQMWFEESA-N 1 3 314.430 -0.639 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000864058508 806386463 /nfs/dbraw/zinc/38/64/63/806386463.db2.gz AJRLITNNJDBOQL-LSDHHAIUSA-N 1 3 309.410 -0.625 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CCc1ccnn1C ZINC001320298019 806473153 /nfs/dbraw/zinc/47/31/53/806473153.db2.gz CYCGRIQVQXNLQP-ZDUSSCGKSA-N 1 3 320.397 -0.696 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCCS(C)(=O)=O ZINC001320995960 806551375 /nfs/dbraw/zinc/55/13/75/806551375.db2.gz BJHHQJFLSWCFBR-ITDFMYJTSA-N 1 3 317.455 -0.223 20 0 DBADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868404683 806552146 /nfs/dbraw/zinc/55/21/46/806552146.db2.gz FHFQLRAPYGHGHV-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1CCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCC1(C)C ZINC000868404362 806552304 /nfs/dbraw/zinc/55/23/04/806552304.db2.gz DTFGDSUGOCHSBV-GFCCVEGCSA-N 1 3 312.414 -0.885 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@H](O)Cn1cccn1 ZINC001321000511 806553623 /nfs/dbraw/zinc/55/36/23/806553623.db2.gz ZEGDXAPWQUOCFO-LYOOOYLASA-N 1 3 321.425 -0.400 20 0 DBADHO CC(C)C[C@@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004930 806616638 /nfs/dbraw/zinc/61/66/38/806616638.db2.gz QKXYOUPPQBNPGC-LOWDOPEQSA-N 1 3 310.398 -0.247 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000871000664 806617106 /nfs/dbraw/zinc/61/71/06/806617106.db2.gz VYVQACDEUQARIH-LPWJVIDDSA-N 1 3 310.398 -0.280 20 0 DBADHO C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001321542333 806638473 /nfs/dbraw/zinc/63/84/73/806638473.db2.gz UTYOPQPINOYZGU-MNOVXSKESA-N 1 3 310.398 -0.630 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872185759 806647347 /nfs/dbraw/zinc/64/73/47/806647347.db2.gz DDKAJGDCGPYSDK-UWVGGRQHSA-N 1 3 324.347 -0.398 20 0 DBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@@H](N3CCCC3)C1)C2 ZINC000872190241 806648789 /nfs/dbraw/zinc/64/87/89/806648789.db2.gz PAODVNNIXUFESY-JJRVBVJISA-N 1 3 320.437 -0.249 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872195889 806649553 /nfs/dbraw/zinc/64/95/53/806649553.db2.gz MJWDJRXYCMAYOG-WMLDXEAASA-N 1 3 322.453 -0.001 20 0 DBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875236899 806740206 /nfs/dbraw/zinc/74/02/06/806740206.db2.gz GKLYAAQOOFDRPF-MCIONIFRSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000875236899 806740208 /nfs/dbraw/zinc/74/02/08/806740208.db2.gz GKLYAAQOOFDRPF-MCIONIFRSA-N 1 3 312.414 -0.785 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001322693345 806769032 /nfs/dbraw/zinc/76/90/32/806769032.db2.gz GOBJSKQVCNAOIA-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876880392 806811277 /nfs/dbraw/zinc/81/12/77/806811277.db2.gz IPXLKQYFWUJWLZ-RYUDHWBXSA-N 1 3 304.385 -0.078 20 0 DBADHO NCc1cn(-c2cccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)nn1 ZINC000877206651 806826483 /nfs/dbraw/zinc/82/64/83/806826483.db2.gz KMWDTNXSEDKMTP-FICVDOATSA-N 1 3 312.377 -0.192 20 0 DBADHO C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CC[NH2+]CC1 ZINC000877253084 806828705 /nfs/dbraw/zinc/82/87/05/806828705.db2.gz JHMZPIKWLBUPOY-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO C[NH+]1CCC(NC(=O)CN2C[C@@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000879155608 806879493 /nfs/dbraw/zinc/87/94/93/806879493.db2.gz FXADWKHOBUMFDZ-HOTGVXAUSA-N 1 3 322.409 -0.819 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000665763873 803902352 /nfs/dbraw/zinc/90/23/52/803902352.db2.gz NTUAFJHHLPERIP-MELADBBJSA-N 1 3 316.446 -0.747 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)[C@H](CO)C1 ZINC000665763873 803902357 /nfs/dbraw/zinc/90/23/57/803902357.db2.gz NTUAFJHHLPERIP-MELADBBJSA-N 1 3 316.446 -0.747 20 0 DBADHO Cn1cncc1CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001279901390 803928373 /nfs/dbraw/zinc/92/83/73/803928373.db2.gz FQZSSJPNGBDNHS-ZDUSSCGKSA-N 1 3 309.414 -0.718 20 0 DBADHO Cn1cncc1CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001279901390 803928379 /nfs/dbraw/zinc/92/83/79/803928379.db2.gz FQZSSJPNGBDNHS-ZDUSSCGKSA-N 1 3 309.414 -0.718 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000766143882 804312267 /nfs/dbraw/zinc/31/22/67/804312267.db2.gz HFDHTMDRSLCCJE-JKSUJKDBSA-N 1 3 324.469 -0.319 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001285596347 804923613 /nfs/dbraw/zinc/92/36/13/804923613.db2.gz YKAVHCAVEPWICT-PYLYLYNFSA-N 1 3 320.437 -0.035 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884339427 807046671 /nfs/dbraw/zinc/04/66/71/807046671.db2.gz MVKDEGXDJGBANZ-ZDUSSCGKSA-N 1 3 305.382 -0.791 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCCNC(=O)C1 ZINC000820068760 805143482 /nfs/dbraw/zinc/14/34/82/805143482.db2.gz PGWKPIYSGKHYHI-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCCNC(=O)C1 ZINC000820068760 805143486 /nfs/dbraw/zinc/14/34/86/805143486.db2.gz PGWKPIYSGKHYHI-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000827936153 805357050 /nfs/dbraw/zinc/35/70/50/805357050.db2.gz FSYKWXHFFQZSQE-MCIONIFRSA-N 1 3 324.425 -0.776 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001292998654 805370485 /nfs/dbraw/zinc/37/04/85/805370485.db2.gz MFDFBPUGMHDYJN-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001293332470 805414518 /nfs/dbraw/zinc/41/45/18/805414518.db2.gz GNBXCEBMTMGRGB-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001293332470 805414524 /nfs/dbraw/zinc/41/45/24/805414524.db2.gz GNBXCEBMTMGRGB-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO COCC[C@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884210934 807040811 /nfs/dbraw/zinc/04/08/11/807040811.db2.gz NXJXDOALPAGAEC-ZDUSSCGKSA-N 1 3 312.414 -0.883 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884555525 807054983 /nfs/dbraw/zinc/05/49/83/807054983.db2.gz SUQCPLJJJOTMGR-FPMFFAJLSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000884612377 807059909 /nfs/dbraw/zinc/05/99/09/807059909.db2.gz KISPKHUUYJYWPU-GYSYKLTISA-N 1 3 314.455 -0.512 20 0 DBADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC001325345052 807063259 /nfs/dbraw/zinc/06/32/59/807063259.db2.gz AWFOPRNXGKDHOB-FRRDWIJNSA-N 1 3 312.414 -0.920 20 0 DBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884664683 807065243 /nfs/dbraw/zinc/06/52/43/807065243.db2.gz RZDRIQGHFOCOEH-RWMBFGLXSA-N 1 3 308.426 -0.204 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885205230 807088636 /nfs/dbraw/zinc/08/86/36/807088636.db2.gz XYCPLIFMFOZRSV-UHFFFAOYSA-N 1 3 302.419 -0.733 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1)N(C)C ZINC001325753439 807100124 /nfs/dbraw/zinc/10/01/24/807100124.db2.gz JNIQTNHFFBSURU-QLFBSQMISA-N 1 3 313.442 -0.274 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1)N(C)C ZINC001325753439 807100129 /nfs/dbraw/zinc/10/01/29/807100129.db2.gz JNIQTNHFFBSURU-QLFBSQMISA-N 1 3 313.442 -0.274 20 0 DBADHO COCCN1CCC([NH2+]C[C@H](O)CN2CCN(C)CC2)CC1 ZINC001326146881 807153307 /nfs/dbraw/zinc/15/33/07/807153307.db2.gz MRGURKUZRJOADU-INIZCTEOSA-N 1 3 314.474 -0.705 20 0 DBADHO [NH3+]CCCCn1cc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)nn1 ZINC001326317440 807169813 /nfs/dbraw/zinc/16/98/13/807169813.db2.gz AIFSXUMGSGHOJG-OLZOCXBDSA-N 1 3 322.413 -0.390 20 0 DBADHO COC[C@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001326370474 807174983 /nfs/dbraw/zinc/17/49/83/807174983.db2.gz OITLCKLTXFULKN-TZMCWYRMSA-N 1 3 310.398 -0.212 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC001327144955 807244601 /nfs/dbraw/zinc/24/46/01/807244601.db2.gz BDJHFDFPCXKXOB-QWHCGFSZSA-N 1 3 324.425 -0.286 20 0 DBADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCN(C)CCO ZINC000899734037 807271082 /nfs/dbraw/zinc/27/10/82/807271082.db2.gz RUJMFVDKDUHODB-CQSZACIVSA-N 1 3 301.431 -0.180 20 0 DBADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@H](O)CN2C)C1 ZINC000900015720 807280445 /nfs/dbraw/zinc/28/04/45/807280445.db2.gz YKUSTLGCWMVWEQ-LZWOXQAQSA-N 1 3 313.442 -0.086 20 0 DBADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@H](O)CN2C)C1 ZINC000900015720 807280453 /nfs/dbraw/zinc/28/04/53/807280453.db2.gz YKUSTLGCWMVWEQ-LZWOXQAQSA-N 1 3 313.442 -0.086 20 0 DBADHO CNC(=O)CN1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036809330 815105938 /nfs/dbraw/zinc/10/59/38/815105938.db2.gz JICIFSFSOOKRME-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000900438151 807301272 /nfs/dbraw/zinc/30/12/72/807301272.db2.gz AISHYDDLTGJHFE-YCPHGPKFSA-N 1 3 311.426 -0.187 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000900438151 807301279 /nfs/dbraw/zinc/30/12/79/807301279.db2.gz AISHYDDLTGJHFE-YCPHGPKFSA-N 1 3 311.426 -0.187 20 0 DBADHO CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900675777 807318168 /nfs/dbraw/zinc/31/81/68/807318168.db2.gz VOSHFRYDHJJLQF-LXZKKBNFSA-N 1 3 324.469 -0.274 20 0 DBADHO CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900675777 807318177 /nfs/dbraw/zinc/31/81/77/807318177.db2.gz VOSHFRYDHJJLQF-LXZKKBNFSA-N 1 3 324.469 -0.274 20 0 DBADHO CN1C[C@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900675777 807318182 /nfs/dbraw/zinc/31/81/82/807318182.db2.gz VOSHFRYDHJJLQF-LXZKKBNFSA-N 1 3 324.469 -0.274 20 0 DBADHO CCN1CCN(CCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900686241 807320428 /nfs/dbraw/zinc/32/04/28/807320428.db2.gz LMIMLBRXOLOKLY-INIZCTEOSA-N 1 3 312.458 -0.413 20 0 DBADHO CCN1CCN(CCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900686241 807320437 /nfs/dbraw/zinc/32/04/37/807320437.db2.gz LMIMLBRXOLOKLY-INIZCTEOSA-N 1 3 312.458 -0.413 20 0 DBADHO C[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)CN1C)C[NH+]1CCN(C)CC1 ZINC000900693350 807321530 /nfs/dbraw/zinc/32/15/30/807321530.db2.gz PZRSEYOKHVMGLD-IIAWOOMASA-N 1 3 312.458 -0.559 20 0 DBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CCS(=O)(=O)N(C)C)C2 ZINC000903495150 807390880 /nfs/dbraw/zinc/39/08/80/807390880.db2.gz XKVDERGDEDKEMR-LOWVWBTDSA-N 1 3 319.427 -0.910 20 0 DBADHO CC1(C)CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@@H]1[NH3+] ZINC000903735175 807404605 /nfs/dbraw/zinc/40/46/05/807404605.db2.gz ITNPPYADATYFNG-STQMWFEESA-N 1 3 308.426 -0.121 20 0 DBADHO O=C1CNCCN1[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903742541 807406674 /nfs/dbraw/zinc/40/66/74/807406674.db2.gz CMYFHFZDAVCXFP-BFYDXBDKSA-N 1 3 322.453 -0.349 20 0 DBADHO NCc1cn([C@@H]2CCCN(C[C@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000903761305 807409526 /nfs/dbraw/zinc/40/95/26/807409526.db2.gz PJRNDPOAQKGATC-HUUCEWRRSA-N 1 3 308.430 -0.170 20 0 DBADHO Cc1c(C[C@H](C[NH3+])CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cnn1C ZINC000903937093 807422166 /nfs/dbraw/zinc/42/21/66/807422166.db2.gz BAYGZCLAFIVYAX-BNOWGMLFSA-N 1 3 319.409 -0.607 20 0 DBADHO CN(C)C[C@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC000905338697 807453977 /nfs/dbraw/zinc/45/39/77/807453977.db2.gz JYFQJJAFWBIMQE-ZDUSSCGKSA-N 1 3 305.444 -0.422 20 0 DBADHO COCCN1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000906411059 807484713 /nfs/dbraw/zinc/48/47/13/807484713.db2.gz NDHMIZWZNNXONQ-UHFFFAOYSA-N 1 3 312.458 -0.340 20 0 DBADHO COCCN1CCCN(C(=O)C2CN(C)CC[N@@H+](C)C2)CC1 ZINC000906411059 807484719 /nfs/dbraw/zinc/48/47/19/807484719.db2.gz NDHMIZWZNNXONQ-UHFFFAOYSA-N 1 3 312.458 -0.340 20 0 DBADHO COCCN1CCC[C@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906597225 807490005 /nfs/dbraw/zinc/49/00/05/807490005.db2.gz KXZUZBBGPNQBGJ-HNNXBMFYSA-N 1 3 312.458 -0.293 20 0 DBADHO COCCN1CCC[C@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906597225 807490010 /nfs/dbraw/zinc/49/00/10/807490010.db2.gz KXZUZBBGPNQBGJ-HNNXBMFYSA-N 1 3 312.458 -0.293 20 0 DBADHO C[NH+](C)CCn1nccc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000908203683 807579991 /nfs/dbraw/zinc/57/99/91/807579991.db2.gz NFMMFVPGLYUTRP-ZDUSSCGKSA-N 1 3 309.414 -0.369 20 0 DBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000908540168 807599279 /nfs/dbraw/zinc/59/92/79/807599279.db2.gz GPGBHSACJZDALY-GOEBONIOSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000908540168 807599283 /nfs/dbraw/zinc/59/92/83/807599283.db2.gz GPGBHSACJZDALY-GOEBONIOSA-N 1 3 313.442 -0.204 20 0 DBADHO CNS(=O)(=O)CCCN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC001329743199 807612305 /nfs/dbraw/zinc/61/23/05/807612305.db2.gz ONAWQUJPUVZZDF-JHJVBQTASA-N 1 3 305.444 -0.328 20 0 DBADHO CS(=O)(=O)NC[C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923303396 807657650 /nfs/dbraw/zinc/65/76/50/807657650.db2.gz LIWPPNZHPBZOIB-CHWSQXEVSA-N 1 3 317.455 -0.374 20 0 DBADHO COC(=O)c1cn([C@H]2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923377611 807662958 /nfs/dbraw/zinc/66/29/58/807662958.db2.gz VNIMINWIKMMLDH-NWDGAFQWSA-N 1 3 321.381 -0.310 20 0 DBADHO Cn1nccc1[C@H]1[C@H](NC[C@@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1C ZINC000923379459 807662986 /nfs/dbraw/zinc/66/29/86/807662986.db2.gz PITIDOJZQRFNGD-YWPYICTPSA-N 1 3 319.409 -0.340 20 0 DBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCO[C@H]2CCOC2)C1 ZINC000923414616 807666111 /nfs/dbraw/zinc/66/61/11/807666111.db2.gz MOLNBYLZQWJHPB-XDQVBPFNSA-N 1 3 311.382 -0.341 20 0 DBADHO CCOCC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923412755 807666584 /nfs/dbraw/zinc/66/65/84/807666584.db2.gz AQUYWGZAKNYWKY-FQUUOJAGSA-N 1 3 313.398 -0.359 20 0 DBADHO CCOC(=O)N1CCN(C(=O)CN2CC[C@H](CC[NH3+])C2)CC1 ZINC000923484234 807674335 /nfs/dbraw/zinc/67/43/35/807674335.db2.gz IKAQYOIBUAHIJE-ZDUSSCGKSA-N 1 3 312.414 -0.042 20 0 DBADHO CN1CCC[C@@H]1[C@@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923609873 807686626 /nfs/dbraw/zinc/68/66/26/807686626.db2.gz JPJCCJXEAMSZHR-OLZOCXBDSA-N 1 3 302.444 -0.305 20 0 DBADHO CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923620337 807689730 /nfs/dbraw/zinc/68/97/30/807689730.db2.gz CPAMVTKHHHEXEC-CYBMUJFWSA-N 1 3 304.460 -0.200 20 0 DBADHO [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NS(=O)(=O)N1CCNCC1 ZINC000923633856 807693987 /nfs/dbraw/zinc/69/39/87/807693987.db2.gz ILLRYVPUJKRUDT-MPEURRAXSA-N 1 3 302.444 -0.368 20 0 DBADHO C[C@@H]1CC2(CN1S(=O)(=O)N1CCNCC1)CC[NH2+]CC2 ZINC000923650079 807696180 /nfs/dbraw/zinc/69/61/80/807696180.db2.gz IXMCXMUJGVSQNT-GFCCVEGCSA-N 1 3 302.444 -0.400 20 0 DBADHO O=S(=O)(NCc1cccc2c1CC[NH2+]C2)N1CCNCC1 ZINC000923661921 807698152 /nfs/dbraw/zinc/69/81/52/807698152.db2.gz KUTWPBZGZGVWNQ-UHFFFAOYSA-N 1 3 310.423 -0.428 20 0 DBADHO [NH3+][C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1C(F)(F)F ZINC000923677686 807702937 /nfs/dbraw/zinc/70/29/37/807702937.db2.gz NAZAJYOZOZRJOD-BDAKNGLRSA-N 1 3 316.349 -0.652 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCOC1 ZINC001330368486 807704599 /nfs/dbraw/zinc/70/45/99/807704599.db2.gz MTNLCVFUPSFVPA-CYBMUJFWSA-N 1 3 314.430 -0.909 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CC[N@@H+]4C)C3)C[C@@H]21 ZINC001330542681 807731481 /nfs/dbraw/zinc/73/14/81/807731481.db2.gz XCFVHEVYXSSYDC-XGUBFFRZSA-N 1 3 320.437 -0.299 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)C[C@@H]21 ZINC001330542681 807731486 /nfs/dbraw/zinc/73/14/86/807731486.db2.gz XCFVHEVYXSSYDC-XGUBFFRZSA-N 1 3 320.437 -0.299 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001330614844 807739153 /nfs/dbraw/zinc/73/91/53/807739153.db2.gz WJMJXXJRTQGOJW-FDYHWXHSSA-N 1 3 324.425 -0.384 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001330702009 807742682 /nfs/dbraw/zinc/74/26/82/807742682.db2.gz PUPRRMHGHCLPMT-IGQOVBAYSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@@H]1CNC(=O)/C=C/C=C/C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928555459 807814085 /nfs/dbraw/zinc/81/40/85/807814085.db2.gz JTPNURCMEVNFED-ZIAXZRMDSA-N 1 3 306.410 -0.261 20 0 DBADHO CN1CC[C@@H]1CNC(=O)/C=C/C=C/C(=O)NC[C@H]1CC[N@H+]1C ZINC000928555459 807814093 /nfs/dbraw/zinc/81/40/93/807814093.db2.gz JTPNURCMEVNFED-ZIAXZRMDSA-N 1 3 306.410 -0.261 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C)[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928551989 807814339 /nfs/dbraw/zinc/81/43/39/807814339.db2.gz RMQSGADFUKQPSJ-HPCHECBXSA-N 1 3 308.426 -0.491 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CCN2C)[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928551989 807814348 /nfs/dbraw/zinc/81/43/48/807814348.db2.gz RMQSGADFUKQPSJ-HPCHECBXSA-N 1 3 308.426 -0.491 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)[C@H]1C(=O)NC[C@@H]1CCN1C ZINC000928551989 807814358 /nfs/dbraw/zinc/81/43/58/807814358.db2.gz RMQSGADFUKQPSJ-HPCHECBXSA-N 1 3 308.426 -0.491 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2C)[C@H]1C(=O)NC[C@@H]1CCN1C ZINC000928551989 807814369 /nfs/dbraw/zinc/81/43/69/807814369.db2.gz RMQSGADFUKQPSJ-HPCHECBXSA-N 1 3 308.426 -0.491 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC001333381661 808052300 /nfs/dbraw/zinc/05/23/00/808052300.db2.gz DHMQOQOLOXHVDC-KBPBESRZSA-N 1 3 310.442 -0.193 20 0 DBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001333397387 808054529 /nfs/dbraw/zinc/05/45/29/808054529.db2.gz JZEYAZQWTFNWAJ-IHRRRGAJSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C1 ZINC001333407193 808056382 /nfs/dbraw/zinc/05/63/82/808056382.db2.gz UCFFPKNYRRKSMC-XJFOESAGSA-N 1 3 324.425 -0.648 20 0 DBADHO C[NH2+]CCN(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001333568548 808076495 /nfs/dbraw/zinc/07/64/95/808076495.db2.gz WTPCGZIRYFSKFQ-ZDUSSCGKSA-N 1 3 312.414 -0.966 20 0 DBADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1)C1CC1 ZINC000946623371 808116540 /nfs/dbraw/zinc/11/65/40/808116540.db2.gz JMZMMKMHCXJKNY-LZWOXQAQSA-N 1 3 322.453 -0.018 20 0 DBADHO CN(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1)C1CC1 ZINC000946623371 808116547 /nfs/dbraw/zinc/11/65/47/808116547.db2.gz JMZMMKMHCXJKNY-LZWOXQAQSA-N 1 3 322.453 -0.018 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001335383748 808283777 /nfs/dbraw/zinc/28/37/77/808283777.db2.gz HKCUYGJCTRPUCX-GJZGRUSLSA-N 1 3 301.431 -0.884 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[C@]43C[NH3+])C[C@@H]21 ZINC001336133155 808345549 /nfs/dbraw/zinc/34/55/49/808345549.db2.gz FKKWBQVJCFHIQP-FOCJUVANSA-N 1 3 306.410 -0.511 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@]43C[NH3+])C[C@@H]21 ZINC001336133154 808345567 /nfs/dbraw/zinc/34/55/67/808345567.db2.gz FKKWBQVJCFHIQP-DVZHBHJUSA-N 1 3 306.410 -0.511 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC001338449474 808543484 /nfs/dbraw/zinc/54/34/84/808543484.db2.gz LARRECLTFZAOQY-OAHLLOKOSA-N 1 3 315.458 -0.230 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[C@H]1C[NH3+] ZINC001340097933 808620375 /nfs/dbraw/zinc/62/03/75/808620375.db2.gz GFACSVHMGQKCLC-ZOBORPQBSA-N 1 3 308.426 -0.408 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2C[NH2+]CCN2C)C[C@@H](C)O1 ZINC001340820472 808657696 /nfs/dbraw/zinc/65/76/96/808657696.db2.gz FUAJSNMWXOJXJH-RBSFLKMASA-N 1 3 312.458 -0.104 20 0 DBADHO C[NH2+]C[C@@H](O)[C@@H](C)C(=O)NCCCCN1CCN(C)CC1 ZINC001340892393 808662338 /nfs/dbraw/zinc/66/23/38/808662338.db2.gz FGCCOLZEDVOUNF-ZIAGYGMSSA-N 1 3 300.447 -0.653 20 0 DBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954318410 809213332 /nfs/dbraw/zinc/21/33/32/809213332.db2.gz SSCFNWLUUNJAPD-JSGCOSHPSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954318410 809213335 /nfs/dbraw/zinc/21/33/35/809213335.db2.gz SSCFNWLUUNJAPD-JSGCOSHPSA-N 1 3 308.426 -0.299 20 0 DBADHO O=C(N1CCCC[C@H]1CN[C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC000960187085 810159374 /nfs/dbraw/zinc/15/93/74/810159374.db2.gz DSJUCLPCHHXYBD-UONOGXRCSA-N 1 3 320.437 -0.059 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC000962311638 810504431 /nfs/dbraw/zinc/50/44/31/810504431.db2.gz XUFASESLQZHGEX-NYTXWWLZSA-N 1 3 318.425 -0.334 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC000962311638 810504438 /nfs/dbraw/zinc/50/44/38/810504438.db2.gz XUFASESLQZHGEX-NYTXWWLZSA-N 1 3 318.425 -0.334 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC000962555425 810551060 /nfs/dbraw/zinc/55/10/60/810551060.db2.gz PMPMLKRBFXRLTR-IGQOVBAYSA-N 1 3 321.425 -0.990 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC000962555425 810551065 /nfs/dbraw/zinc/55/10/65/810551065.db2.gz PMPMLKRBFXRLTR-IGQOVBAYSA-N 1 3 321.425 -0.990 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000965062190 810825013 /nfs/dbraw/zinc/82/50/13/810825013.db2.gz HFLCBEWIFKXNGS-MPXNVAGNSA-N 1 3 308.426 -0.170 20 0 DBADHO O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N1CCC1 ZINC000968702970 811479770 /nfs/dbraw/zinc/47/97/70/811479770.db2.gz QRWWMXUVTVREHI-HUUCEWRRSA-N 1 3 320.437 -0.249 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000968907714 811512217 /nfs/dbraw/zinc/51/22/17/811512217.db2.gz RXLKXYFOEFJOFQ-NEPJUHHUSA-N 1 3 322.409 -0.534 20 0 DBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC000968924744 811515431 /nfs/dbraw/zinc/51/54/31/811515431.db2.gz WATBTHBCNAQZRY-CYBMUJFWSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC000968924489 811515645 /nfs/dbraw/zinc/51/56/45/811515645.db2.gz LXXWFZBDVKVGGW-OCCSQVGLSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001011158982 812851134 /nfs/dbraw/zinc/85/11/34/812851134.db2.gz KICMQCIABRRKDO-CABCVRRESA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001011158982 812851143 /nfs/dbraw/zinc/85/11/43/812851143.db2.gz KICMQCIABRRKDO-CABCVRRESA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001012564909 813074971 /nfs/dbraw/zinc/07/49/71/813074971.db2.gz IKPNMGCZPQCKEI-GXTWGEPZSA-N 1 3 319.409 -0.179 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001012564909 813074980 /nfs/dbraw/zinc/07/49/80/813074980.db2.gz IKPNMGCZPQCKEI-GXTWGEPZSA-N 1 3 319.409 -0.179 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC[N@@H+]1C ZINC001018866328 814008710 /nfs/dbraw/zinc/00/87/10/814008710.db2.gz ZKLRLBTUJLSKBO-HZSPNIEDSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC[N@H+]1C ZINC001018866328 814008717 /nfs/dbraw/zinc/00/87/17/814008717.db2.gz ZKLRLBTUJLSKBO-HZSPNIEDSA-N 1 3 308.426 -0.251 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC001019322961 814127009 /nfs/dbraw/zinc/12/70/09/814127009.db2.gz QNTCLRVTKRBKHF-KBPBESRZSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001019337717 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/nfs/dbraw/zinc/42/42/84/824424284.db2.gz MAYLEEGNJTYINJ-UXIGCNINSA-N 1 3 322.409 -0.043 20 0 DBADHO CO[C@@H]1C[N@@H+](C[C@@H](C)O)C[C@H]1NC(=O)c1cnccc1N(C)C ZINC001082329806 824424286 /nfs/dbraw/zinc/42/42/86/824424286.db2.gz MAYLEEGNJTYINJ-UXIGCNINSA-N 1 3 322.409 -0.043 20 0 DBADHO O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001083602272 824692899 /nfs/dbraw/zinc/69/28/99/824692899.db2.gz MJFCIFXGFXHIMJ-KFWWJZLASA-N 1 3 323.437 -0.187 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001086198007 825201906 /nfs/dbraw/zinc/20/19/06/825201906.db2.gz HGHSETAAHFULLK-RMRHIDDWSA-N 1 3 320.441 -0.003 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001086198007 825201916 /nfs/dbraw/zinc/20/19/16/825201916.db2.gz HGHSETAAHFULLK-RMRHIDDWSA-N 1 3 320.441 -0.003 20 0 DBADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001090611058 825762419 /nfs/dbraw/zinc/76/24/19/825762419.db2.gz YJXMIQPLCUGDNO-GJZGRUSLSA-N 1 3 313.442 -0.348 20 0 DBADHO C[NH+]1CCC(CC(=O)N[C@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001090611060 825762439 /nfs/dbraw/zinc/76/24/39/825762439.db2.gz YJXMIQPLCUGDNO-LSDHHAIUSA-N 1 3 313.442 -0.348 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001115304975 828827823 /nfs/dbraw/zinc/82/78/23/828827823.db2.gz XZXMZIPPIHBHBG-SFDCQRBFSA-N 1 3 308.426 -0.396 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001115304975 828827832 /nfs/dbraw/zinc/82/78/32/828827832.db2.gz XZXMZIPPIHBHBG-SFDCQRBFSA-N 1 3 308.426 -0.396 20 0 DBADHO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCN(CCO)C[C@H]2O)c1 ZINC001090827455 825861839 /nfs/dbraw/zinc/86/18/39/825861839.db2.gz JPQSRWDUYPTOGM-HZPDHXFCSA-N 1 3 321.421 -0.095 20 0 DBADHO C[C@H]1CN(C(=O)c2cnc(N3CC[NH2+]CC3)cn2)C[C@H](C)N1 ZINC001161231611 832993343 /nfs/dbraw/zinc/99/33/43/832993343.db2.gz LJHWYIUFNFCGAS-RYUDHWBXSA-N 1 3 304.398 -0.291 20 0 DBADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001161237540 832994471 /nfs/dbraw/zinc/99/44/71/832994471.db2.gz MCGVQAXBCABMAC-STQMWFEESA-N 1 3 314.430 -0.639 20 0 DBADHO CNC(=O)NC1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001161268375 832996775 /nfs/dbraw/zinc/99/67/75/832996775.db2.gz GOUOWJAHHZSPBI-ZDUSSCGKSA-N 1 3 323.441 -0.219 20 0 DBADHO CNC(=O)NC1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001161268375 832996778 /nfs/dbraw/zinc/99/67/78/832996778.db2.gz GOUOWJAHHZSPBI-ZDUSSCGKSA-N 1 3 323.441 -0.219 20 0 DBADHO COc1cnc(O[C@H]2CCN(C(=O)[C@@H](N)CCC[NH3+])C2)nc1 ZINC001161299210 832999759 /nfs/dbraw/zinc/99/97/59/832999759.db2.gz SZIYYGSFWHFJJY-JQWIXIFHSA-N 1 3 309.370 -0.469 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161297334 832998634 /nfs/dbraw/zinc/99/86/34/832998634.db2.gz XAASADATYQVENS-QWHCGFSZSA-N 1 3 317.393 -0.345 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380312 833009554 /nfs/dbraw/zinc/00/95/54/833009554.db2.gz TVMYICKHEDMQRA-CHWSQXEVSA-N 1 3 312.414 -0.709 20 0 DBADHO CCN(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)[C@H]1CCC[NH2+]C1 ZINC001161333590 833006550 /nfs/dbraw/zinc/00/65/50/833006550.db2.gz VBIVGVLIQGYDCL-RYUDHWBXSA-N 1 3 315.439 -0.636 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161374205 833008270 /nfs/dbraw/zinc/00/82/70/833008270.db2.gz UOTMLLBYBRZZJV-HIFRSBDPSA-N 1 3 320.441 -0.686 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161381873 833010789 /nfs/dbraw/zinc/01/07/89/833010789.db2.gz QLPPUBWEXDLZTR-CABCVRRESA-N 1 3 321.425 -0.387 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380848 833011494 /nfs/dbraw/zinc/01/14/94/833011494.db2.gz WBVUTKDAGRHOEK-OYMPBJRDSA-N 1 3 316.471 -0.894 20 0 DBADHO COC(=O)[C@@H](N)CC(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445510 833018440 /nfs/dbraw/zinc/01/84/40/833018440.db2.gz PPQVVYQCWWFWHW-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@@H]1CN(C2CN(C(=O)[C@@H](N)CSCC[NH3+])C2)C[C@@H](C)O1 ZINC001161499028 833028827 /nfs/dbraw/zinc/02/88/27/833028827.db2.gz MRGQYNUXUMOUBZ-WZRBSPASSA-N 1 3 316.471 -0.674 20 0 DBADHO N[C@H](C(=O)N1C[C@H]([NH3+])C2(COC2)C1)C1Cc2ccccc2C1 ZINC001161509303 833028967 /nfs/dbraw/zinc/02/89/67/833028967.db2.gz IYVRZHDZTDNWMH-GJZGRUSLSA-N 1 3 301.390 -0.085 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C(N)C(F)(F)F)CC2 ZINC001161481529 833023798 /nfs/dbraw/zinc/02/37/98/833023798.db2.gz YFHUHOKMWLXRNX-RNSXUZJQSA-N 1 3 309.288 -0.370 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C(N)C(F)(F)F)CC2 ZINC001161481530 833023885 /nfs/dbraw/zinc/02/38/85/833023885.db2.gz YFHUHOKMWLXRNX-XLDPMVHQSA-N 1 3 309.288 -0.370 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)c1[nH]nc3c1CNC3)CC2 ZINC001161484898 833024646 /nfs/dbraw/zinc/02/46/46/833024646.db2.gz YHUGTEOMXJJVMJ-XHDPSFHLSA-N 1 3 319.365 -0.620 20 0 DBADHO C[C@@H]1CN(C2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC001161500687 833028387 /nfs/dbraw/zinc/02/83/87/833028387.db2.gz YEFMMPULQBHEOM-LALPHHSUSA-N 1 3 310.442 -0.367 20 0 DBADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511023 833029692 /nfs/dbraw/zinc/02/96/92/833029692.db2.gz VBQRVNHWZWFZSO-GJZGRUSLSA-N 1 3 319.405 -0.023 20 0 DBADHO Cn1nncc1CN1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274129417 833034982 /nfs/dbraw/zinc/03/49/82/833034982.db2.gz CNONAWUAFAJATK-OAHLLOKOSA-N 1 3 306.414 -0.199 20 0 DBADHO COC(=O)CC[C@H]1COCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161566979 833036339 /nfs/dbraw/zinc/03/63/39/833036339.db2.gz UACDEAAMWCIPHP-RYUDHWBXSA-N 1 3 301.387 -0.377 20 0 DBADHO CC[C@H](C(=O)N1CCC([N@H+](CCO)C[C@@H](C)O)CC1)N(C)C ZINC001098404378 826478401 /nfs/dbraw/zinc/47/84/01/826478401.db2.gz KJVDSJFOIPXECN-UKRRQHHQSA-N 1 3 315.458 -0.007 20 0 DBADHO CC[C@H](C(=O)N1CCC([N@@H+](CCO)C[C@@H](C)O)CC1)N(C)C ZINC001098404378 826478404 /nfs/dbraw/zinc/47/84/04/826478404.db2.gz KJVDSJFOIPXECN-UKRRQHHQSA-N 1 3 315.458 -0.007 20 0 DBADHO Cn1nnnc1CNCCCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001161859597 833059743 /nfs/dbraw/zinc/05/97/43/833059743.db2.gz GZYMNBZPCOOFSD-UHFFFAOYSA-N 1 3 314.353 -0.233 20 0 DBADHO Cn1nnnc1C[NH2+]CCCNC(=O)c1ccn2cncc2c1 ZINC001161859597 833059748 /nfs/dbraw/zinc/05/97/48/833059748.db2.gz GZYMNBZPCOOFSD-UHFFFAOYSA-N 1 3 314.353 -0.233 20 0 DBADHO CCN(CC)CC(=O)N1CCC([N@H+](CCO)C[C@@H](C)O)CC1 ZINC001098505836 826493512 /nfs/dbraw/zinc/49/35/12/826493512.db2.gz DMVWDQCEUDVFEG-CQSZACIVSA-N 1 3 315.458 -0.006 20 0 DBADHO CCN(CC)CC(=O)N1CCC([N@@H+](CCO)C[C@@H](C)O)CC1 ZINC001098505836 826493515 /nfs/dbraw/zinc/49/35/15/826493515.db2.gz DMVWDQCEUDVFEG-CQSZACIVSA-N 1 3 315.458 -0.006 20 0 DBADHO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562231 826499232 /nfs/dbraw/zinc/49/92/32/826499232.db2.gz UWYKTKOSLXAMMB-AWEZNQCLSA-N 1 3 313.442 -0.252 20 0 DBADHO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562231 826499237 /nfs/dbraw/zinc/49/92/37/826499237.db2.gz UWYKTKOSLXAMMB-AWEZNQCLSA-N 1 3 313.442 -0.252 20 0 DBADHO C[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001099162887 826555042 /nfs/dbraw/zinc/55/50/42/826555042.db2.gz ZNWKOYIUXOVKBW-WWGRRREGSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001099162887 826555046 /nfs/dbraw/zinc/55/50/46/826555046.db2.gz ZNWKOYIUXOVKBW-WWGRRREGSA-N 1 3 308.426 -0.073 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973459 826752126 /nfs/dbraw/zinc/75/21/26/826752126.db2.gz DHOILDCMWUWXBM-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOC[C@H](O)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274566285 833101142 /nfs/dbraw/zinc/10/11/42/833101142.db2.gz NXRQWWRLKMJRFK-ZBFHGGJFSA-N 1 3 313.442 -0.130 20 0 DBADHO CCOC[C@H](O)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274566285 833101148 /nfs/dbraw/zinc/10/11/48/833101148.db2.gz NXRQWWRLKMJRFK-ZBFHGGJFSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(C)CCN1CC[C@@]2(CCC[N@H+](C[C@H](O)CO)CC2)C1=O ZINC001274566358 833101373 /nfs/dbraw/zinc/10/13/73/833101373.db2.gz YJJWRDZXDKPSGC-HOCLYGCPSA-N 1 3 313.442 -0.394 20 0 DBADHO CN(C)CCN1CC[C@@]2(CCC[N@@H+](C[C@H](O)CO)CC2)C1=O ZINC001274566358 833101375 /nfs/dbraw/zinc/10/13/75/833101375.db2.gz YJJWRDZXDKPSGC-HOCLYGCPSA-N 1 3 313.442 -0.394 20 0 DBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CCCF)C[C@H]1O ZINC001100077161 826828880 /nfs/dbraw/zinc/82/88/80/826828880.db2.gz YEGHVPGQWRXBIM-CHWSQXEVSA-N 1 3 305.394 -0.524 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100082920 826837151 /nfs/dbraw/zinc/83/71/51/826837151.db2.gz KCAQKLMVXLIFAF-KBPBESRZSA-N 1 3 301.431 -0.348 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100082920 826837164 /nfs/dbraw/zinc/83/71/64/826837164.db2.gz KCAQKLMVXLIFAF-KBPBESRZSA-N 1 3 301.431 -0.348 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001100084093 826839925 /nfs/dbraw/zinc/83/99/25/826839925.db2.gz XTBORZKMAIAOGM-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001100084093 826839939 /nfs/dbraw/zinc/83/99/39/826839939.db2.gz XTBORZKMAIAOGM-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100125009 826876834 /nfs/dbraw/zinc/87/68/34/826876834.db2.gz QLBSAQSIQGZPOS-GJZGRUSLSA-N 1 3 313.442 -0.204 20 0 DBADHO O=C(NCCC[NH2+]C[C@H]1CCOC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872441 833121923 /nfs/dbraw/zinc/12/19/23/833121923.db2.gz RZIKUEOKJABXDP-HCEZTOJASA-N 1 3 323.437 -0.018 20 0 DBADHO CC[C@@H]([NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(N)=O ZINC001162872403 833122083 /nfs/dbraw/zinc/12/20/83/833122083.db2.gz QPAVQQJJFHAKJK-WULFKBJJSA-N 1 3 324.425 -0.791 20 0 DBADHO CN(CC(=O)NCC1CC([NH2+]CCOCCO)C1)C1CCC1 ZINC001100410874 826960526 /nfs/dbraw/zinc/96/05/26/826960526.db2.gz RDQLHOGUVPSADO-UHFFFAOYSA-N 1 3 313.442 -0.036 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CC(=O)N(C)C)C2)C1 ZINC001100678645 827000492 /nfs/dbraw/zinc/00/04/92/827000492.db2.gz RWKXZVOSUBRDJU-IYXRBSQSSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001100769655 827019250 /nfs/dbraw/zinc/01/92/50/827019250.db2.gz VCIBWISZVPHWIS-BPCQOVAHSA-N 1 3 324.425 -0.382 20 0 DBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100901936 827041335 /nfs/dbraw/zinc/04/13/35/827041335.db2.gz WCSCKGOAGUTAON-UHFFFAOYSA-N 1 3 313.402 -0.993 20 0 DBADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@H](O)COC)C1 ZINC001100901967 827041882 /nfs/dbraw/zinc/04/18/82/827041882.db2.gz XVNQTSXGCAIKBS-RUXDESIVSA-N 1 3 301.431 -0.180 20 0 DBADHO COC[C@H](O)C[NH2+]C1CC(CNC(=O)Cc2nc[nH]c2C)C1 ZINC001100918462 827044082 /nfs/dbraw/zinc/04/40/82/827044082.db2.gz XILSJEWXRWDXGV-WXRRBKDZSA-N 1 3 310.398 -0.248 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351796 827101398 /nfs/dbraw/zinc/10/13/98/827101398.db2.gz MZLVBYDPBNNWBA-IOASZLSFSA-N 1 3 310.442 -0.018 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375294 827102468 /nfs/dbraw/zinc/10/24/68/827102468.db2.gz LNNGAIZVMDGOLW-INWMFGNUSA-N 1 3 322.409 -0.260 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375294 827102488 /nfs/dbraw/zinc/10/24/88/827102488.db2.gz LNNGAIZVMDGOLW-INWMFGNUSA-N 1 3 322.409 -0.260 20 0 DBADHO CCC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001275103967 833150602 /nfs/dbraw/zinc/15/06/02/833150602.db2.gz WFMOMJHFUMBWHI-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CCC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001275103968 833151152 /nfs/dbraw/zinc/15/11/52/833151152.db2.gz WFMOMJHFUMBWHI-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)CCN1CCO[C@]2(CCCN(C[C@H]3CCC(=O)N3)C2)C1 ZINC001275188256 833157476 /nfs/dbraw/zinc/15/74/76/833157476.db2.gz NOSGTXBAKVSZEX-NVXWUHKLSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292573 827194479 /nfs/dbraw/zinc/19/44/79/827194479.db2.gz UAGZXVKPQKJBEQ-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102292572 827194580 /nfs/dbraw/zinc/19/45/80/827194580.db2.gz UAGZXVKPQKJBEQ-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN([C@@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318760 827198079 /nfs/dbraw/zinc/19/80/79/827198079.db2.gz IRYAOTNUOWANAF-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532062 827220246 /nfs/dbraw/zinc/22/02/46/827220246.db2.gz SEVCUFZDCJNGNI-BNOWGMLFSA-N 1 3 324.425 -0.048 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532062 827220251 /nfs/dbraw/zinc/22/02/51/827220251.db2.gz SEVCUFZDCJNGNI-BNOWGMLFSA-N 1 3 324.425 -0.048 20 0 DBADHO CN1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001163820835 833171236 /nfs/dbraw/zinc/17/12/36/833171236.db2.gz IWDLCXPPJWCTIP-OLZOCXBDSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)C1 ZINC001103436058 827285668 /nfs/dbraw/zinc/28/56/68/827285668.db2.gz ITSRGRVHTOPOIE-BFHYXJOUSA-N 1 3 310.442 -0.112 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)C1 ZINC001103436058 827285674 /nfs/dbraw/zinc/28/56/74/827285674.db2.gz ITSRGRVHTOPOIE-BFHYXJOUSA-N 1 3 310.442 -0.112 20 0 DBADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001103719157 827296128 /nfs/dbraw/zinc/29/61/28/827296128.db2.gz SLPAMHWQDNSGAY-MGPQQGTHSA-N 1 3 310.442 -0.242 20 0 DBADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001103719157 827296131 /nfs/dbraw/zinc/29/61/31/827296131.db2.gz SLPAMHWQDNSGAY-MGPQQGTHSA-N 1 3 310.442 -0.242 20 0 DBADHO Cc1nc(N(C)C)cc(N2CC(=O)NC3(CC[NH2+]CC3)C2)n1 ZINC001165253154 833232543 /nfs/dbraw/zinc/23/25/43/833232543.db2.gz VFYCLYOMWTVJBE-UHFFFAOYSA-N 1 3 304.398 -0.091 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CCO ZINC001106453559 827656630 /nfs/dbraw/zinc/65/66/30/827656630.db2.gz OJVRINRJMGNUTM-QVCPJDEESA-N 1 3 323.437 -0.474 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001106796805 827678213 /nfs/dbraw/zinc/67/82/13/827678213.db2.gz AHSVCKLFFQZCIR-ZIAGYGMSSA-N 1 3 310.442 -0.112 20 0 DBADHO c1c2c(nnc1N1CCCO[C@]3(C[NH2+]CCOC3)C1)CCNC2 ZINC001165341353 833242542 /nfs/dbraw/zinc/24/25/42/833242542.db2.gz KKNLTNZWKFIBRN-MRXNPFEDSA-N 1 3 319.409 -0.292 20 0 DBADHO O=C(NCCC1(C[NH2+]CCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001166249094 833268109 /nfs/dbraw/zinc/26/81/09/833268109.db2.gz DFEQZZGWWBUBHF-XOYHFGRZSA-N 1 3 323.437 -0.282 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001166633193 833276419 /nfs/dbraw/zinc/27/64/19/833276419.db2.gz BSFVMTPMVJVSFX-GFCCVEGCSA-N 1 3 305.444 -0.389 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001166627216 833276795 /nfs/dbraw/zinc/27/67/95/833276795.db2.gz SNBPFVICACAMPW-GFCCVEGCSA-N 1 3 320.459 -0.884 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001166676831 833277450 /nfs/dbraw/zinc/27/74/50/833277450.db2.gz CYZZTXRFLFDLRM-NWDGAFQWSA-N 1 3 310.398 -0.771 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001166677359 833277726 /nfs/dbraw/zinc/27/77/26/833277726.db2.gz IANYWNHDBUKXRY-CYBMUJFWSA-N 1 3 324.425 -0.427 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC)N(C)C ZINC001166857729 833283751 /nfs/dbraw/zinc/28/37/51/833283751.db2.gz IKRPIHXXVGSYEL-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001166851742 833283836 /nfs/dbraw/zinc/28/38/36/833283836.db2.gz GDVDHZHAQYQRRL-LBPRGKRZSA-N 1 3 312.414 -0.429 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001168763620 833328334 /nfs/dbraw/zinc/32/83/34/833328334.db2.gz QWLFFIYJPHQGMZ-SNVBAGLBSA-N 1 3 301.391 -0.993 20 0 DBADHO Cc1cnc(N2CCC(C[NH3+])CC2)nc1-n1nncc1CN ZINC001169308533 833338232 /nfs/dbraw/zinc/33/82/32/833338232.db2.gz PAJYHTMHRHDROC-UHFFFAOYSA-N 1 3 302.386 0.000 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC001117666730 829006065 /nfs/dbraw/zinc/00/60/65/829006065.db2.gz NBMURSUPJFJIRT-WDNDVIMCSA-N 1 3 310.442 -0.147 20 0 DBADHO Cc1cnc(CNCCCNC(=O)COCC[NH+](C)C)cn1 ZINC001171216907 833367518 /nfs/dbraw/zinc/36/75/18/833367518.db2.gz KVXJYPGSTROLSO-UHFFFAOYSA-N 1 3 309.414 -0.041 20 0 DBADHO COC(=O)[C@H](CN)C[NH2+][C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173567446 833378396 /nfs/dbraw/zinc/37/83/96/833378396.db2.gz DUQJUPQWRULEPO-CHWFTXMASA-N 1 3 316.354 -0.935 20 0 DBADHO C[NH+]1CCC(NC(=O)C(=O)N2CCNCCC23CCC3)CC1 ZINC001119344566 829250595 /nfs/dbraw/zinc/25/05/95/829250595.db2.gz YYHPUZJYXBPTQM-UHFFFAOYSA-N 1 3 308.426 -0.059 20 0 DBADHO CCN1CCN(CCC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001120472090 829378781 /nfs/dbraw/zinc/37/87/81/829378781.db2.gz CMVVRBIWWNUPLO-HOTGVXAUSA-N 1 3 315.458 -0.494 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCC(=O)Nc2cnccn2)C1 ZINC001176072581 833400045 /nfs/dbraw/zinc/40/00/45/833400045.db2.gz ZCLXZUGNHBSVHC-LBPRGKRZSA-N 1 3 320.397 -0.537 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCCNCC(=O)Nc2cnccn2)C1 ZINC001176072581 833400047 /nfs/dbraw/zinc/40/00/47/833400047.db2.gz ZCLXZUGNHBSVHC-LBPRGKRZSA-N 1 3 320.397 -0.537 20 0 DBADHO [NH3+]CCCOCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001120638086 829401199 /nfs/dbraw/zinc/40/11/99/829401199.db2.gz HEXHECVFZXEAAF-KBPBESRZSA-N 1 3 314.430 -0.408 20 0 DBADHO CN(CCC[NH2+]CCS(C)(=O)=O)C(=O)CN1CCCC1 ZINC001276387014 833423803 /nfs/dbraw/zinc/42/38/03/833423803.db2.gz VWKGKBWOKHRSRX-UHFFFAOYSA-N 1 3 305.444 -0.435 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001176972181 833442727 /nfs/dbraw/zinc/44/27/27/833442727.db2.gz PQXFTPCYYHBFCT-CYBMUJFWSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H]([NH2+]CCNC(=O)[C@@H]1CCCN1C)C(=O)NCC(F)(F)F ZINC001124866866 829796457 /nfs/dbraw/zinc/79/64/57/829796457.db2.gz MJHBRMWFFMPGQK-UWVGGRQHSA-N 1 3 324.347 -0.147 20 0 DBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866505 829796763 /nfs/dbraw/zinc/79/67/63/829796763.db2.gz DVHJNXQVAHCOLE-OLZOCXBDSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC1CC1 ZINC001127466424 830012334 /nfs/dbraw/zinc/01/23/34/830012334.db2.gz CAUYUJFGZDPPFQ-BXUZGUMPSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC1CC1 ZINC001127466425 830012613 /nfs/dbraw/zinc/01/26/13/830012613.db2.gz CAUYUJFGZDPPFQ-FZMZJTMJSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)NC1CC1 ZINC001127466426 830013368 /nfs/dbraw/zinc/01/33/68/830013368.db2.gz CAUYUJFGZDPPFQ-RISCZKNCSA-N 1 3 308.426 -0.299 20 0 DBADHO CCN(CC)C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473947 830013581 /nfs/dbraw/zinc/01/35/81/830013581.db2.gz DPKCPTQXFZDWPN-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO CCN(CC)C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473938 830013716 /nfs/dbraw/zinc/01/37/16/830013716.db2.gz DPKCPTQXFZDWPN-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CN1CCC[C@H](NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481449 830014463 /nfs/dbraw/zinc/01/44/63/830014463.db2.gz UFZCBEDZBXHIFH-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO Cn1cncc1CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576197 830018491 /nfs/dbraw/zinc/01/84/91/830018491.db2.gz KSDVEFYIKZBRNR-UHFFFAOYSA-N 1 3 319.413 -0.302 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC1 ZINC001127760434 830027154 /nfs/dbraw/zinc/02/71/54/830027154.db2.gz KRIQWBJTBWEADE-ZIAGYGMSSA-N 1 3 324.425 -0.822 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCC1 ZINC001127760434 830027161 /nfs/dbraw/zinc/02/71/61/830027161.db2.gz KRIQWBJTBWEADE-ZIAGYGMSSA-N 1 3 324.425 -0.822 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778450 830029736 /nfs/dbraw/zinc/02/97/36/830029736.db2.gz FGJOERSSTHJBOD-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778450 830029740 /nfs/dbraw/zinc/02/97/40/830029740.db2.gz FGJOERSSTHJBOD-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001128545179 830096732 /nfs/dbraw/zinc/09/67/32/830096732.db2.gz VPQXACDCDIWDPD-RYUDHWBXSA-N 1 3 302.394 -0.397 20 0 DBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001129326928 830172111 /nfs/dbraw/zinc/17/21/11/830172111.db2.gz CWIBJHGNIDMBGE-QWHCGFSZSA-N 1 3 324.425 -0.525 20 0 DBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001129326928 830172113 /nfs/dbraw/zinc/17/21/13/830172113.db2.gz CWIBJHGNIDMBGE-QWHCGFSZSA-N 1 3 324.425 -0.525 20 0 DBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001129340112 830173552 /nfs/dbraw/zinc/17/35/52/830173552.db2.gz KUBNPFKSXSPOCS-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001129340112 830173557 /nfs/dbraw/zinc/17/35/57/830173557.db2.gz KUBNPFKSXSPOCS-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364509 830176088 /nfs/dbraw/zinc/17/60/88/830176088.db2.gz VRYFIEOJGPLQNY-UONOGXRCSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(NCCN[C@H]1CCNC1=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364509 830176091 /nfs/dbraw/zinc/17/60/91/830176091.db2.gz VRYFIEOJGPLQNY-UONOGXRCSA-N 1 3 324.425 -0.776 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129358879 830176103 /nfs/dbraw/zinc/17/61/03/830176103.db2.gz XCUDCEZRGPMMNF-ZDUSSCGKSA-N 1 3 317.430 -0.800 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129444641 830181618 /nfs/dbraw/zinc/18/16/18/830181618.db2.gz WOYZQPIAPDRUMZ-WCQYABFASA-N 1 3 317.455 -0.533 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129444642 830181963 /nfs/dbraw/zinc/18/19/63/830181963.db2.gz WOYZQPIAPDRUMZ-YPMHNXCESA-N 1 3 317.455 -0.533 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)C1CC1 ZINC001129455317 830182825 /nfs/dbraw/zinc/18/28/25/830182825.db2.gz SCKCXMGSQDTGAW-ZIAGYGMSSA-N 1 3 309.414 -0.710 20 0 DBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129840405 830218027 /nfs/dbraw/zinc/21/80/27/830218027.db2.gz FYUTVVOEPFPJJZ-VXGBXAGGSA-N 1 3 310.398 -0.628 20 0 DBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129840405 830218033 /nfs/dbraw/zinc/21/80/33/830218033.db2.gz FYUTVVOEPFPJJZ-VXGBXAGGSA-N 1 3 310.398 -0.628 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129949627 830232311 /nfs/dbraw/zinc/23/23/11/830232311.db2.gz GRXKADBISCWTJB-AWEZNQCLSA-N 1 3 316.446 -0.569 20 0 DBADHO CC(C)[C@@H](C(=O)NCCNCC(=O)N1CCOCC1)[NH+](C)C ZINC001129947394 830233214 /nfs/dbraw/zinc/23/32/14/830233214.db2.gz XZCJNYJEGLGNDR-AWEZNQCLSA-N 1 3 314.430 -0.863 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)N(C)C ZINC001129954091 830235164 /nfs/dbraw/zinc/23/51/64/830235164.db2.gz YJHVAYJNZCQCOK-KBPBESRZSA-N 1 3 311.430 -0.464 20 0 DBADHO COCCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992112 830241199 /nfs/dbraw/zinc/24/11/99/830241199.db2.gz LIGTWRWTCILRJQ-OLZOCXBDSA-N 1 3 310.402 -0.782 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130137124 830269847 /nfs/dbraw/zinc/26/98/47/830269847.db2.gz KCVGXFSJUBDJHG-KGLIPLIRSA-N 1 3 324.429 -0.658 20 0 DBADHO O=C(NCCN[C@@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001130170890 830272870 /nfs/dbraw/zinc/27/28/70/830272870.db2.gz AABTZWWTKBOWEG-CYBMUJFWSA-N 1 3 308.426 -0.153 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)CC)N(C)C ZINC001130204881 830283002 /nfs/dbraw/zinc/28/30/02/830283002.db2.gz BTOBFNRHFXQVEX-GFCCVEGCSA-N 1 3 307.460 -0.143 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001130421638 830320416 /nfs/dbraw/zinc/32/04/16/830320416.db2.gz DAFJUARKELYZPO-JTQLQIEISA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001130421638 830320419 /nfs/dbraw/zinc/32/04/19/830320419.db2.gz DAFJUARKELYZPO-JTQLQIEISA-N 1 3 315.418 -0.733 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001130422097 830320954 /nfs/dbraw/zinc/32/09/54/830320954.db2.gz WJOWQNDXKIKTAI-ZDUSSCGKSA-N 1 3 311.430 -0.320 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001130422070 830321517 /nfs/dbraw/zinc/32/15/17/830321517.db2.gz VFUUBFIPDWKDTE-VIFPVBQESA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001130422070 830321525 /nfs/dbraw/zinc/32/15/25/830321525.db2.gz VFUUBFIPDWKDTE-VIFPVBQESA-N 1 3 301.391 -0.994 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131091820 830427950 /nfs/dbraw/zinc/42/79/50/830427950.db2.gz QWWMXHQGGDQGRO-ZIAGYGMSSA-N 1 3 323.441 -0.362 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519401 830479359 /nfs/dbraw/zinc/47/93/59/830479359.db2.gz CUHCUWKZQHMPEI-CXOJTPOUSA-N 1 3 319.409 -0.511 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519401 830479366 /nfs/dbraw/zinc/47/93/66/830479366.db2.gz CUHCUWKZQHMPEI-CXOJTPOUSA-N 1 3 319.409 -0.511 20 0 DBADHO C[C@H](NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001131521519 830479600 /nfs/dbraw/zinc/47/96/00/830479600.db2.gz AHLNTZCZGDNRHU-AJAZOQAWSA-N 1 3 324.425 -0.968 20 0 DBADHO C[C@H](NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001131521519 830479605 /nfs/dbraw/zinc/47/96/05/830479605.db2.gz AHLNTZCZGDNRHU-AJAZOQAWSA-N 1 3 324.425 -0.968 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001131521521 830479863 /nfs/dbraw/zinc/47/98/63/830479863.db2.gz AHLNTZCZGDNRHU-OPXGVBIBSA-N 1 3 324.425 -0.968 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001131521521 830479868 /nfs/dbraw/zinc/47/98/68/830479868.db2.gz AHLNTZCZGDNRHU-OPXGVBIBSA-N 1 3 324.425 -0.968 20 0 DBADHO CC[C@@H](C[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)OC ZINC001131522156 830480585 /nfs/dbraw/zinc/48/05/85/830480585.db2.gz URYRIPZIACYGTD-IOSBVQAASA-N 1 3 311.426 -0.020 20 0 DBADHO CC(C)OCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521953 830480901 /nfs/dbraw/zinc/48/09/01/830480901.db2.gz MWYCCIUXJBXIAK-NPCAHTBFSA-N 1 3 311.426 -0.020 20 0 DBADHO O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521929 830480997 /nfs/dbraw/zinc/48/09/97/830480997.db2.gz MGWSPPCIGNYXQV-PGOFDVKTSA-N 1 3 309.410 -0.408 20 0 DBADHO O=C(CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)N1CCC1 ZINC001131786518 830529372 /nfs/dbraw/zinc/52/93/72/830529372.db2.gz VQOCRPXLILVOMG-OAHLLOKOSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131791001 830531799 /nfs/dbraw/zinc/53/17/99/830531799.db2.gz YNPUCLDWLMPJFX-OCCSQVGLSA-N 1 3 322.409 -0.628 20 0 DBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001132738336 830688252 /nfs/dbraw/zinc/68/82/52/830688252.db2.gz ZGCZVMAUEJCGPM-QWHCGFSZSA-N 1 3 324.425 -0.381 20 0 DBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001132738336 830688258 /nfs/dbraw/zinc/68/82/58/830688258.db2.gz ZGCZVMAUEJCGPM-QWHCGFSZSA-N 1 3 324.425 -0.381 20 0 DBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001132738191 830688774 /nfs/dbraw/zinc/68/87/74/830688774.db2.gz WNDYXPCJQMFDDJ-NSHDSACASA-N 1 3 313.402 -0.991 20 0 DBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001132738191 830688779 /nfs/dbraw/zinc/68/87/79/830688779.db2.gz WNDYXPCJQMFDDJ-NSHDSACASA-N 1 3 313.402 -0.991 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133418975 830774129 /nfs/dbraw/zinc/77/41/29/830774129.db2.gz GRXKADBISCWTJB-CQSZACIVSA-N 1 3 316.446 -0.569 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415847 830774350 /nfs/dbraw/zinc/77/43/50/830774350.db2.gz QXVDRNIBDDHKSQ-CQSZACIVSA-N 1 3 316.446 -0.569 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001133824162 830831778 /nfs/dbraw/zinc/83/17/78/830831778.db2.gz ZSINOROWHTZXHG-OLZOCXBDSA-N 1 3 306.414 -0.045 20 0 DBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001133834340 830833408 /nfs/dbraw/zinc/83/34/08/830833408.db2.gz UZNHUKSWHKYGJK-CYBMUJFWSA-N 1 3 312.414 -0.965 20 0 DBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001133834340 830833420 /nfs/dbraw/zinc/83/34/20/830833420.db2.gz UZNHUKSWHKYGJK-CYBMUJFWSA-N 1 3 312.414 -0.965 20 0 DBADHO C[C@H](C[NH2+]CCNC(=O)CN1CCC[C@@H]1C)CS(C)(=O)=O ZINC001133833701 830833706 /nfs/dbraw/zinc/83/37/06/830833706.db2.gz CSCQOUOYCNIXSK-OLZOCXBDSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001133845300 830837783 /nfs/dbraw/zinc/83/77/83/830837783.db2.gz ASLLTVBCKXMUJI-GFCCVEGCSA-N 1 3 305.444 -0.531 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001133846147 830838343 /nfs/dbraw/zinc/83/83/43/830838343.db2.gz UXJVUAYKQXDDCX-KGLIPLIRSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H](C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1)CS(C)(=O)=O ZINC001133849897 830839542 /nfs/dbraw/zinc/83/95/42/830839542.db2.gz GRZOZMQJHXCUDJ-CHWSQXEVSA-N 1 3 319.471 -0.285 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001133851245 830839932 /nfs/dbraw/zinc/83/99/32/830839932.db2.gz ZXHJIKGKDGAXRI-KBPBESRZSA-N 1 3 309.414 -0.708 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133866929 830842669 /nfs/dbraw/zinc/84/26/69/830842669.db2.gz PZNQXDKCTKOTCQ-GXTWGEPZSA-N 1 3 310.442 -0.242 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133866929 830842678 /nfs/dbraw/zinc/84/26/78/830842678.db2.gz PZNQXDKCTKOTCQ-GXTWGEPZSA-N 1 3 310.442 -0.242 20 0 DBADHO C[NH+](C)CCc1ccc(C(=O)NCCN[C@H]2CCNC2=O)cc1 ZINC001133893286 830851198 /nfs/dbraw/zinc/85/11/98/830851198.db2.gz AQWIOJFWGAAOJD-HNNXBMFYSA-N 1 3 318.421 -0.001 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1)N(C)C ZINC001133963761 830866375 /nfs/dbraw/zinc/86/63/75/830866375.db2.gz ZOBLOOLVGBIFPT-LBPRGKRZSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC)N(C)C ZINC001133968062 830867986 /nfs/dbraw/zinc/86/79/86/830867986.db2.gz MCEVUJDWRJZVDG-STQMWFEESA-N 1 3 316.446 -0.426 20 0 DBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001134762583 830975966 /nfs/dbraw/zinc/97/59/66/830975966.db2.gz CLFRTWQQQIXTHA-STQMWFEESA-N 1 3 324.425 -0.240 20 0 DBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001134762583 830975971 /nfs/dbraw/zinc/97/59/71/830975971.db2.gz CLFRTWQQQIXTHA-STQMWFEESA-N 1 3 324.425 -0.240 20 0 DBADHO C[NH+](C)Cc1ccc(C(=O)NCCN[C@@H]2CCNC2=O)cc1 ZINC001135341005 831055228 /nfs/dbraw/zinc/05/52/28/831055228.db2.gz NILSMJNAONGFLD-CQSZACIVSA-N 1 3 304.394 -0.044 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001135510880 831079236 /nfs/dbraw/zinc/07/92/36/831079236.db2.gz HDVRZMJKUYWUPP-ZDUSSCGKSA-N 1 3 319.471 -0.141 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135508609 831079273 /nfs/dbraw/zinc/07/92/73/831079273.db2.gz SUCDEQNTXKLIBT-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO Cn1cncc1CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959014 831140439 /nfs/dbraw/zinc/14/04/39/831140439.db2.gz IZOXBVHSEXHAAP-UHFFFAOYSA-N 1 3 309.414 -0.263 20 0 DBADHO C[NH+]1CCC(OCC(=O)NCCN[C@@H]2CCCNC2=O)CC1 ZINC001135958736 831140706 /nfs/dbraw/zinc/14/07/06/831140706.db2.gz DTLKTJPCHNJJFR-CYBMUJFWSA-N 1 3 312.414 -0.918 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001146719265 831291953 /nfs/dbraw/zinc/29/19/53/831291953.db2.gz NNCQYTULIILXCT-UHFFFAOYSA-N 1 3 321.425 -0.255 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001146719265 831291957 /nfs/dbraw/zinc/29/19/57/831291957.db2.gz NNCQYTULIILXCT-UHFFFAOYSA-N 1 3 321.425 -0.255 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146719705 831293293 /nfs/dbraw/zinc/29/32/93/831293293.db2.gz VLXHZUKHWCFPIN-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146719705 831293300 /nfs/dbraw/zinc/29/33/00/831293300.db2.gz VLXHZUKHWCFPIN-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185204170 833783112 /nfs/dbraw/zinc/78/31/12/833783112.db2.gz ITROSIBBPLGIJN-NEPJUHHUSA-N 1 3 307.398 -0.228 20 0 DBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)COC)C2)N(C)C ZINC001147772701 831406513 /nfs/dbraw/zinc/40/65/13/831406513.db2.gz AILJLHJFTKOWDI-ZIAGYGMSSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)COC)C2)N(C)C ZINC001147772701 831406514 /nfs/dbraw/zinc/40/65/14/831406514.db2.gz AILJLHJFTKOWDI-ZIAGYGMSSA-N 1 3 313.442 -0.132 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147885245 831414158 /nfs/dbraw/zinc/41/41/58/831414158.db2.gz KRGZZHIHEMRQDI-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147885245 831414161 /nfs/dbraw/zinc/41/41/61/831414161.db2.gz KRGZZHIHEMRQDI-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001147877735 831415143 /nfs/dbraw/zinc/41/51/43/831415143.db2.gz OBXROXSPBRRFOU-ZDUSSCGKSA-N 1 3 322.409 -0.057 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001147877735 831415150 /nfs/dbraw/zinc/41/51/50/831415150.db2.gz OBXROXSPBRRFOU-ZDUSSCGKSA-N 1 3 322.409 -0.057 20 0 DBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147894023 831415929 /nfs/dbraw/zinc/41/59/29/831415929.db2.gz YJJWMPBPJDRUGJ-GFCCVEGCSA-N 1 3 302.419 -0.815 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001147899969 831416696 /nfs/dbraw/zinc/41/66/96/831416696.db2.gz FDBQEVNRCPIHGY-STQMWFEESA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147899969 831416697 /nfs/dbraw/zinc/41/66/97/831416697.db2.gz FDBQEVNRCPIHGY-STQMWFEESA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000099 831422179 /nfs/dbraw/zinc/42/21/79/831422179.db2.gz KBMGGKYAFPGNHV-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)COC)C2 ZINC001148469888 831456727 /nfs/dbraw/zinc/45/67/27/831456727.db2.gz ZEZAFALGSPZAHT-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)COC)C2 ZINC001148469888 831456730 /nfs/dbraw/zinc/45/67/30/831456730.db2.gz ZEZAFALGSPZAHT-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001148643222 831467376 /nfs/dbraw/zinc/46/73/76/831467376.db2.gz VGSZZDNYJBLQER-KGLIPLIRSA-N 1 3 319.446 -0.554 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CCCS(=O)(=O)CC ZINC001148642745 831467588 /nfs/dbraw/zinc/46/75/88/831467588.db2.gz MQZDBVWZLZJRJR-UHFFFAOYSA-N 1 3 307.460 -0.141 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001148643223 831468207 /nfs/dbraw/zinc/46/82/07/831468207.db2.gz VGSZZDNYJBLQER-UONOGXRCSA-N 1 3 319.446 -0.554 20 0 DBADHO CC[C@H](C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1)N(C)C ZINC001149886745 831578923 /nfs/dbraw/zinc/57/89/23/831578923.db2.gz BQLFMJGMSSTWLH-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@H](C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1)N(C)C ZINC001149886745 831578929 /nfs/dbraw/zinc/57/89/29/831578929.db2.gz BQLFMJGMSSTWLH-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001150326387 831607651 /nfs/dbraw/zinc/60/76/51/831607651.db2.gz XVJISPHUKYLOQU-GJZGRUSLSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001150326387 831607654 /nfs/dbraw/zinc/60/76/54/831607654.db2.gz XVJISPHUKYLOQU-GJZGRUSLSA-N 1 3 313.442 -0.082 20 0 DBADHO CC[C@@H](C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1)N(C)C ZINC001150350225 831609511 /nfs/dbraw/zinc/60/95/11/831609511.db2.gz BQLFMJGMSSTWLH-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@@H](C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1)N(C)C ZINC001150350225 831609514 /nfs/dbraw/zinc/60/95/14/831609514.db2.gz BQLFMJGMSSTWLH-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO C[NH+](C)CCOCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001150588996 831631872 /nfs/dbraw/zinc/63/18/72/831631872.db2.gz SBGMVYMTYRLCIM-AWEZNQCLSA-N 1 3 317.430 -0.846 20 0 DBADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001151049608 831661180 /nfs/dbraw/zinc/66/11/80/831661180.db2.gz UGMLLZKOETVAGE-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001151049608 831661184 /nfs/dbraw/zinc/66/11/84/831661184.db2.gz UGMLLZKOETVAGE-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO Cc1cnc(CNCCNC(=O)[C@@H](C)C[NH+]2CCOCC2)cn1 ZINC001151160007 831669335 /nfs/dbraw/zinc/66/93/35/831669335.db2.gz WGKCDRFZSPYRPE-ZDUSSCGKSA-N 1 3 321.425 -0.041 20 0 DBADHO Cc1cnc(C[NH2+]CCNC(=O)[C@@H](C)CN2CCOCC2)cn1 ZINC001151160007 831669339 /nfs/dbraw/zinc/66/93/39/831669339.db2.gz WGKCDRFZSPYRPE-ZDUSSCGKSA-N 1 3 321.425 -0.041 20 0 DBADHO COCCC1(NC(=O)CC[NH+](C)C)CCN(CCO)CC1 ZINC001151308984 831677608 /nfs/dbraw/zinc/67/76/08/831677608.db2.gz ZSVRWMLVEAVQRV-UHFFFAOYSA-N 1 3 301.431 -0.082 20 0 DBADHO NC(=O)NC(=O)CNCCNC(=O)CCC[NH+]1CCCCC1 ZINC001151361912 831680144 /nfs/dbraw/zinc/68/01/44/831680144.db2.gz POCDLOZJEVITJK-UHFFFAOYSA-N 1 3 313.402 -0.847 20 0 DBADHO C[NH+](C)Cc1cccc(C(=O)NCCN[C@@H]2CCNC2=O)c1 ZINC001152246517 831736781 /nfs/dbraw/zinc/73/67/81/831736781.db2.gz ZYQUFMDYTVUHDF-CQSZACIVSA-N 1 3 304.394 -0.044 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152439216 831750228 /nfs/dbraw/zinc/75/02/28/831750228.db2.gz FOUUKQPBVTWGKS-NSHDSACASA-N 1 3 315.418 -0.733 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001152431771 831750928 /nfs/dbraw/zinc/75/09/28/831750928.db2.gz DWMNYKRDYNTOON-GFCCVEGCSA-N 1 3 307.460 -0.287 20 0 DBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446024 831751585 /nfs/dbraw/zinc/75/15/85/831751585.db2.gz RHDUMCZCGIJDFE-CYBMUJFWSA-N 1 3 316.446 -0.426 20 0 DBADHO CC(C)[C@@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001152480512 831754115 /nfs/dbraw/zinc/75/41/15/831754115.db2.gz VTWSRDIBCKEKBY-OCCSQVGLSA-N 1 3 324.425 -0.382 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001152479822 831754231 /nfs/dbraw/zinc/75/42/31/831754231.db2.gz KQMNNGAVALOOGW-GJZGRUSLSA-N 1 3 323.441 -0.176 20 0 DBADHO [NH3+]C1CCN(c2cccc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)CC1 ZINC001157278894 832031119 /nfs/dbraw/zinc/03/11/19/832031119.db2.gz NIUOEVBYEASQQZ-NODPJGRNSA-N 1 3 322.409 -0.476 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1ccc2c(n1)CCNC2 ZINC001157357375 832037261 /nfs/dbraw/zinc/03/72/61/832037261.db2.gz ZJQYPSDJADWECH-ZDUSSCGKSA-N 1 3 319.409 -0.299 20 0 DBADHO CO[C@@H](CN)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157378950 832039983 /nfs/dbraw/zinc/03/99/83/832039983.db2.gz HHRONKIBUBYPTO-RYUDHWBXSA-N 1 3 300.403 -0.804 20 0 DBADHO CNC(=O)C1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157494843 832047888 /nfs/dbraw/zinc/04/78/88/832047888.db2.gz BYUHZINPVXPCGM-ZDUSSCGKSA-N 1 3 308.426 -0.155 20 0 DBADHO CNC(=O)C1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157494843 832047893 /nfs/dbraw/zinc/04/78/93/832047893.db2.gz BYUHZINPVXPCGM-ZDUSSCGKSA-N 1 3 308.426 -0.155 20 0 DBADHO N[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)C[C@H]1F ZINC001157536250 832051629 /nfs/dbraw/zinc/05/16/29/832051629.db2.gz JRXBYYDJSZVCLG-BUWBCJGYSA-N 1 3 318.352 -0.397 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157715254 832057209 /nfs/dbraw/zinc/05/72/09/832057209.db2.gz DCPLZKWUMCDPHH-IJEWVQPXSA-N 1 3 311.426 -0.018 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157715252 832057273 /nfs/dbraw/zinc/05/72/73/832057273.db2.gz DCPLZKWUMCDPHH-DZKIICNBSA-N 1 3 311.426 -0.018 20 0 DBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157717160 832058084 /nfs/dbraw/zinc/05/80/84/832058084.db2.gz XHBWHJPAIWTMJC-XHDPSFHLSA-N 1 3 313.373 -0.026 20 0 DBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157717160 832058088 /nfs/dbraw/zinc/05/80/88/832058088.db2.gz XHBWHJPAIWTMJC-XHDPSFHLSA-N 1 3 313.373 -0.026 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001157721461 832058545 /nfs/dbraw/zinc/05/85/45/832058545.db2.gz XZVZOBJOMOLZKZ-GJZGRUSLSA-N 1 3 310.442 -0.493 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001157720188 832058675 /nfs/dbraw/zinc/05/86/75/832058675.db2.gz BXAVMUYAVYOLLP-QLFBSQMISA-N 1 3 310.442 -0.350 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001157720186 832058713 /nfs/dbraw/zinc/05/87/13/832058713.db2.gz BXAVMUYAVYOLLP-ILXRZTDVSA-N 1 3 310.442 -0.350 20 0 DBADHO N[C@H](C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1)C1CC[NH2+]CC1 ZINC001157877642 832069513 /nfs/dbraw/zinc/06/95/13/832069513.db2.gz LVCHWULVLCFOIK-VWYCJHECSA-N 1 3 309.332 -0.058 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157902938 832071019 /nfs/dbraw/zinc/07/10/19/832071019.db2.gz DFZKEAHJAPSJBL-MELADBBJSA-N 1 3 301.431 -0.316 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001157944236 832077246 /nfs/dbraw/zinc/07/72/46/832077246.db2.gz ITQJGGLXQMGNJM-KCQAQPDRSA-N 1 3 301.431 -0.363 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157945873 832078118 /nfs/dbraw/zinc/07/81/18/832078118.db2.gz LWXLCWQSAFRCMY-YDHLFZDLSA-N 1 3 301.431 -0.363 20 0 DBADHO N[C@H](C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1)C1CCCCC1 ZINC001158110644 832091437 /nfs/dbraw/zinc/09/14/37/832091437.db2.gz HMDQGLQITWQWOJ-GUYCJALGSA-N 1 3 320.437 -0.168 20 0 DBADHO O=C(C[C@@H]1CCNC[C@@H]1F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118980 832091987 /nfs/dbraw/zinc/09/19/87/832091987.db2.gz FKFXHQQHZRBUJQ-MKBNYLNASA-N 1 3 324.400 -0.738 20 0 DBADHO O=C([C@H]1CNC[C@H](F)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260778 832101434 /nfs/dbraw/zinc/10/14/34/832101434.db2.gz GVWMTUBVEWWNGA-VXGBXAGGSA-N 1 3 322.388 -0.353 20 0 DBADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158533233 832120973 /nfs/dbraw/zinc/12/09/73/832120973.db2.gz IXGPQRWKVGXYOX-BHTHQVBYSA-N 1 3 307.394 -0.260 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158568684 832122618 /nfs/dbraw/zinc/12/26/18/832122618.db2.gz QSOPCGYFFKYRJI-GMTAPVOTSA-N 1 3 315.393 -0.702 20 0 DBADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001158788959 832136975 /nfs/dbraw/zinc/13/69/75/832136975.db2.gz BQXWKGAWVSIVST-RYUDHWBXSA-N 1 3 324.429 -0.174 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]1C[C@H](O)C[NH2+]1)C2 ZINC001158855116 832141448 /nfs/dbraw/zinc/14/14/48/832141448.db2.gz CXCNRMBWNPFLJG-AAEUAGOBSA-N 1 3 321.425 -0.143 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@H]1O)C2 ZINC001158856740 832141935 /nfs/dbraw/zinc/14/19/35/832141935.db2.gz QHWZFVRJIFBZQR-IUODEOHRSA-N 1 3 321.425 -0.285 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)CNCC[NH3+])C2 ZINC001158855086 832142202 /nfs/dbraw/zinc/14/22/02/832142202.db2.gz BZOHTGHPZBZKDK-UHFFFAOYSA-N 1 3 308.430 -0.317 20 0 DBADHO [NH3+][C@@H]1CN[C@H](C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001159134055 832158350 /nfs/dbraw/zinc/15/83/50/832158350.db2.gz MGMLYQFJQHWMGL-YHUYYLMFSA-N 1 3 315.421 -0.054 20 0 DBADHO N[C@@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001159134055 832158354 /nfs/dbraw/zinc/15/83/54/832158354.db2.gz MGMLYQFJQHWMGL-YHUYYLMFSA-N 1 3 315.421 -0.054 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159155074 832160777 /nfs/dbraw/zinc/16/07/77/832160777.db2.gz ICXCVXMCJJFVKZ-NWDGAFQWSA-N 1 3 302.394 -0.349 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCOCCO)C2)CC[N@@H+]1C ZINC001269241245 832395514 /nfs/dbraw/zinc/39/55/14/832395514.db2.gz STQSXTCFKSAVTH-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CCN(CCOCCO)C2)CC[N@H+]1C ZINC001269241245 832395522 /nfs/dbraw/zinc/39/55/22/832395522.db2.gz STQSXTCFKSAVTH-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO CNC(=O)CN[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001186616459 833861353 /nfs/dbraw/zinc/86/13/53/833861353.db2.gz SGOHFCCBWBPZNO-GFCCVEGCSA-N 1 3 312.414 -0.966 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001270021805 832491365 /nfs/dbraw/zinc/49/13/65/832491365.db2.gz IMRCUGHKDXKQPP-ZIAGYGMSSA-N 1 3 323.441 -0.314 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCn1cncn1 ZINC001270023199 832491602 /nfs/dbraw/zinc/49/16/02/832491602.db2.gz WNXCOGKEEBZNFV-KBPBESRZSA-N 1 3 306.414 -0.047 20 0 DBADHO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001270986981 832603571 /nfs/dbraw/zinc/60/35/71/832603571.db2.gz NFILMEBXNQYYKU-RYUDHWBXSA-N 1 3 324.425 -0.288 20 0 DBADHO CN1C[C@H]2C[C@@H](C1)N(C(=O)CC[NH+]1CCC(C(N)=O)CC1)C2 ZINC001271054201 832613808 /nfs/dbraw/zinc/61/38/08/832613808.db2.gz YNEGZOYRAJXGIY-OCCSQVGLSA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)N1CCCC1 ZINC001271214099 832640261 /nfs/dbraw/zinc/64/02/61/832640261.db2.gz MKVYLBBJQHOKKB-OAGGEKHMSA-N 1 3 324.469 -0.056 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001271537527 832678906 /nfs/dbraw/zinc/67/89/06/832678906.db2.gz APLSOJWWSABURI-GASCZTMLSA-N 1 3 312.458 -0.199 20 0 DBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCOCCO ZINC001271673718 832692639 /nfs/dbraw/zinc/69/26/39/832692639.db2.gz LHBOYKIIPJFONJ-QWHCGFSZSA-N 1 3 310.398 -0.355 20 0 DBADHO CN(C)CCN1C[C@@]2(CC[N@H+](C[C@H]3CCOC3)C2)OCC1=O ZINC001272508934 832791871 /nfs/dbraw/zinc/79/18/71/832791871.db2.gz RJGPNSNUMSGWGQ-ZBFHGGJFSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1C[C@@]2(CC[N@@H+](C[C@H]3CCOC3)C2)OCC1=O ZINC001272508934 832791876 /nfs/dbraw/zinc/79/18/76/832791876.db2.gz RJGPNSNUMSGWGQ-ZBFHGGJFSA-N 1 3 311.426 -0.112 20 0 DBADHO C[NH+](C)CCN1C[C@]2(CCN(C[C@H]3CCC(=O)N3)C2)OCC1=O ZINC001272525420 832794221 /nfs/dbraw/zinc/79/42/21/832794221.db2.gz SNUYDYCSQVEEBQ-CZUORRHYSA-N 1 3 324.425 -0.870 20 0 DBADHO CCOC[C@H]1CN(C(=O)[C@@H](N)CCC[NH3+])Cc2cnn(C)c21 ZINC001159394916 832813202 /nfs/dbraw/zinc/81/32/02/832813202.db2.gz SQTSGLWBCNMXLI-OLZOCXBDSA-N 1 3 309.414 -0.051 20 0 DBADHO COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CN)C2 ZINC001159472454 832818731 /nfs/dbraw/zinc/81/87/31/832818731.db2.gz UOELQFQBELAZGZ-IJEWVQPXSA-N 1 3 310.442 -0.521 20 0 DBADHO COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(C(=O)[C@@H](N)CN)C2 ZINC001159472454 832818740 /nfs/dbraw/zinc/81/87/40/832818740.db2.gz UOELQFQBELAZGZ-IJEWVQPXSA-N 1 3 310.442 -0.521 20 0 DBADHO COC[C@]12CCCO[C@H]1CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001159624853 832828780 /nfs/dbraw/zinc/82/87/80/832828780.db2.gz OFSCKHKPCZSMPQ-IJEWVQPXSA-N 1 3 323.437 -0.161 20 0 DBADHO CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001159863291 832853213 /nfs/dbraw/zinc/85/32/13/832853213.db2.gz RNVSXXCXUSAMDM-STQMWFEESA-N 1 3 320.437 -0.488 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)C1CC1 ZINC001159932624 832860273 /nfs/dbraw/zinc/86/02/73/832860273.db2.gz TUZVAFAFJVUZRJ-GJZGRUSLSA-N 1 3 323.441 -0.320 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001159932433 832861458 /nfs/dbraw/zinc/86/14/58/832861458.db2.gz RCXQIWBMSFUTII-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@H]21 ZINC001160086551 832873176 /nfs/dbraw/zinc/87/31/76/832873176.db2.gz XQGFPIGYNBLYLT-NLIDSEJHSA-N 1 3 320.437 -0.586 20 0 DBADHO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](O)C3)[C@@H]2C1 ZINC001273069571 832874557 /nfs/dbraw/zinc/87/45/57/832874557.db2.gz KFJGPRQLMPCRLT-SOUVJXGZSA-N 1 3 310.442 -0.853 20 0 DBADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@H](O)C3)[C@@H]2C1 ZINC001273069571 832874546 /nfs/dbraw/zinc/87/45/46/832874546.db2.gz KFJGPRQLMPCRLT-SOUVJXGZSA-N 1 3 310.442 -0.853 20 0 DBADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@@H](N)CCC[NH3+])CCO2 ZINC001160180283 832881956 /nfs/dbraw/zinc/88/19/56/832881956.db2.gz SKUFNKNVSLYAMT-ZFWWWQNUSA-N 1 3 312.414 -0.708 20 0 DBADHO CC(=O)N1CCCC[C@]12CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160424695 832901063 /nfs/dbraw/zinc/90/10/63/832901063.db2.gz ZAAKMVBHYYWKAZ-RHSMWYFYSA-N 1 3 320.437 -0.201 20 0 DBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001160428309 832901818 /nfs/dbraw/zinc/90/18/18/832901818.db2.gz ZNKOCFJOURGXGV-QWRGUYRKSA-N 1 3 315.418 -0.748 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)N(C)C ZINC001160427800 832901969 /nfs/dbraw/zinc/90/19/69/832901969.db2.gz UIXLIOPJSFIADW-LBPRGKRZSA-N 1 3 315.418 -0.876 20 0 DBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC([NH3+])CC1 ZINC001160504885 832911866 /nfs/dbraw/zinc/91/18/66/832911866.db2.gz QMSRHAICZMNHBB-LBPRGKRZSA-N 1 3 320.397 -0.736 20 0 DBADHO COC(=O)CN1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160531505 832914141 /nfs/dbraw/zinc/91/41/41/832914141.db2.gz RGTBFPHHWAAZIZ-ZDUSSCGKSA-N 1 3 324.425 -0.822 20 0 DBADHO COC(=O)CN1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160531505 832914147 /nfs/dbraw/zinc/91/41/47/832914147.db2.gz RGTBFPHHWAAZIZ-ZDUSSCGKSA-N 1 3 324.425 -0.822 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001273343355 832914479 /nfs/dbraw/zinc/91/44/79/832914479.db2.gz WMDDQOQRJKBEGY-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(c2ncccn2)CC1 ZINC001160589395 832922314 /nfs/dbraw/zinc/92/23/14/832922314.db2.gz RAJGBJQZQOSBRS-CYBMUJFWSA-N 1 3 301.394 -0.008 20 0 DBADHO N[C@@H](C(=O)N1CCN(C2CCOCC2)C(=O)C1)C1CC[NH2+]CC1 ZINC001160636526 832927060 /nfs/dbraw/zinc/92/70/60/832927060.db2.gz HXRVTVQVFDSROY-OAHLLOKOSA-N 1 3 324.425 -0.837 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@H]([NH3+])[C@@H](F)C1 ZINC001160648895 832930297 /nfs/dbraw/zinc/93/02/97/832930297.db2.gz GVRRETFKWIJKPL-YFKTTZPYSA-N 1 3 302.394 -0.238 20 0 DBADHO COC(=O)CN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160658207 832930817 /nfs/dbraw/zinc/93/08/17/832930817.db2.gz QOEHMEUCDUAAET-AWEZNQCLSA-N 1 3 317.389 -0.003 20 0 DBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160655182 832931101 /nfs/dbraw/zinc/93/11/01/832931101.db2.gz JLEUACHBNKWHGE-GMTAPVOTSA-N 1 3 301.387 -0.644 20 0 DBADHO Cn1cnnc1C1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160705143 832935280 /nfs/dbraw/zinc/93/52/80/832935280.db2.gz SHIVOUNXOAMGMK-GFCCVEGCSA-N 1 3 304.398 -0.670 20 0 DBADHO O=C(N1CCO[C@@H](C(F)(F)F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160705740 832936494 /nfs/dbraw/zinc/93/64/94/832936494.db2.gz RENYFTDGWOSOOA-CKYFFXLPSA-N 1 3 307.316 -0.025 20 0 DBADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCOC[C@@H]1CN(C)C ZINC001160840559 832948632 /nfs/dbraw/zinc/94/86/32/832948632.db2.gz XPXCJPAQGAEBHK-KBPBESRZSA-N 1 3 314.430 -0.591 20 0 DBADHO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCN1C ZINC001160870867 832954417 /nfs/dbraw/zinc/95/44/17/832954417.db2.gz OHMDKMNXBIMNDW-OLZOCXBDSA-N 1 3 324.425 -0.824 20 0 DBADHO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCN1C ZINC001160870867 832954420 /nfs/dbraw/zinc/95/44/20/832954420.db2.gz OHMDKMNXBIMNDW-OLZOCXBDSA-N 1 3 324.425 -0.824 20 0 DBADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@@H]21 ZINC001160885151 832957430 /nfs/dbraw/zinc/95/74/30/832957430.db2.gz YWCRXNYFJFMJEE-ZRUFSTJUSA-N 1 3 301.412 -0.727 20 0 DBADHO CSc1ncc2c(n1)CN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001160943781 832961401 /nfs/dbraw/zinc/96/14/01/832961401.db2.gz ONRUMUWMASBQJR-NSHDSACASA-N 1 3 319.434 -0.108 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160974088 832963069 /nfs/dbraw/zinc/96/30/69/832963069.db2.gz YEDCFUDPADHBTD-QXEWZRGKSA-N 1 3 306.357 -0.329 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001273775436 832963397 /nfs/dbraw/zinc/96/33/97/832963397.db2.gz YZLBJWTVEMJPRV-ZBFHGGJFSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001273775436 832963400 /nfs/dbraw/zinc/96/34/00/832963400.db2.gz YZLBJWTVEMJPRV-ZBFHGGJFSA-N 1 3 311.426 -0.112 20 0 DBADHO O=C([C@H]1CNCc2ccnn2C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000879 832964072 /nfs/dbraw/zinc/96/40/72/832964072.db2.gz VTTKZVPOFRAPCB-GXTWGEPZSA-N 1 3 319.409 -0.682 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N2CC(O)([C@H]3CCCC[NH2+]3)C2)C1=O ZINC001161008536 832965140 /nfs/dbraw/zinc/96/51/40/832965140.db2.gz PSLAZMALXWKCLC-QWHCGFSZSA-N 1 3 324.425 -0.958 20 0 DBADHO CN(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)[C@H]1CCCC[C@H]1[NH3+] ZINC001161058292 832970992 /nfs/dbraw/zinc/97/09/92/832970992.db2.gz QZNKIMTUARUVNH-TUAOUCFPSA-N 1 3 315.439 -0.509 20 0 DBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)C1CCOCC1 ZINC001161157998 832986168 /nfs/dbraw/zinc/98/61/68/832986168.db2.gz NGAUKFDEHIHEMG-ZDUSSCGKSA-N 1 3 301.387 -0.519 20 0 DBADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]2C1 ZINC001161174612 832988586 /nfs/dbraw/zinc/98/85/86/832988586.db2.gz ATLJOEKKANOPER-FRRDWIJNSA-N 1 3 311.430 -0.438 20 0 DBADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]2C1 ZINC001161174612 832988589 /nfs/dbraw/zinc/98/85/89/832988589.db2.gz ATLJOEKKANOPER-FRRDWIJNSA-N 1 3 311.430 -0.438 20 0 DBADHO C[C@@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179486403 833549258 /nfs/dbraw/zinc/54/92/58/833549258.db2.gz MGOMTLWRGVEKDO-VWYCJHECSA-N 1 3 313.402 -0.900 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001180758900 833600963 /nfs/dbraw/zinc/60/09/63/833600963.db2.gz LBRRAZRWTRLTCR-ZNMIVQPWSA-N 1 3 310.442 -0.446 20 0 DBADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001180758900 833600965 /nfs/dbraw/zinc/60/09/65/833600965.db2.gz LBRRAZRWTRLTCR-ZNMIVQPWSA-N 1 3 310.442 -0.446 20 0 DBADHO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001181652151 833638966 /nfs/dbraw/zinc/63/89/66/833638966.db2.gz JZXILUSVJPKEBP-TZMCWYRMSA-N 1 3 308.426 -0.108 20 0 DBADHO CN1CCC(O)(C(=O)N(C2COC2)[C@H]2CC[C@H]([NH3+])CC2)CC1 ZINC001182036766 833653487 /nfs/dbraw/zinc/65/34/87/833653487.db2.gz WLIUJIUZSQRASB-JOCQHMNTSA-N 1 3 311.426 -0.060 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001183592788 833724054 /nfs/dbraw/zinc/72/40/54/833724054.db2.gz RQBHQGCTJKXDDD-HBNTYKKESA-N 1 3 313.402 -0.900 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001185221073 833784169 /nfs/dbraw/zinc/78/41/69/833784169.db2.gz FZOAPNQXSIYCSY-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](N[C@H]3CCCNC3=O)C2)CC1 ZINC001185230454 833784347 /nfs/dbraw/zinc/78/43/47/833784347.db2.gz TWTIYKNFHFNOBY-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(=O)NCCOCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185919675 833817440 /nfs/dbraw/zinc/81/74/40/833817440.db2.gz YNOXVSWMOZIVET-CYBMUJFWSA-N 1 3 323.397 -0.705 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001186486676 833853509 /nfs/dbraw/zinc/85/35/09/833853509.db2.gz CRSXBTHMBCMHRM-CYBMUJFWSA-N 1 3 311.430 -0.456 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186512879 833854608 /nfs/dbraw/zinc/85/46/08/833854608.db2.gz OFZYLJKMSSRVJB-CYBMUJFWSA-N 1 3 322.409 -0.211 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001187106535 833902507 /nfs/dbraw/zinc/90/25/07/833902507.db2.gz JUMPZSZPDDZPFZ-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001187106535 833902515 /nfs/dbraw/zinc/90/25/15/833902515.db2.gz JUMPZSZPDDZPFZ-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)N(C)C ZINC001187121155 833903496 /nfs/dbraw/zinc/90/34/96/833903496.db2.gz FHVJONRWOLPSMX-QWHCGFSZSA-N 1 3 314.430 -0.768 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001277092551 833925166 /nfs/dbraw/zinc/92/51/66/833925166.db2.gz GUQRRIUHHNYCPF-JHJVBQTASA-N 1 3 324.425 -0.384 20 0 DBADHO CN(C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001187817574 833950868 /nfs/dbraw/zinc/95/08/68/833950868.db2.gz IGIOFNLKFHHXAD-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001187817574 833950876 /nfs/dbraw/zinc/95/08/76/833950876.db2.gz IGIOFNLKFHHXAD-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001187842958 833952884 /nfs/dbraw/zinc/95/28/84/833952884.db2.gz SSLWBZMGULSSOE-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H]1CCC(=O)NC1=O ZINC001277920924 834007313 /nfs/dbraw/zinc/00/73/13/834007313.db2.gz COBLGEPRVFQXEG-YPMHNXCESA-N 1 3 324.425 -0.430 20 0 DBADHO C[C@@H](O)CN1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001277961329 834014418 /nfs/dbraw/zinc/01/44/18/834014418.db2.gz WONNYKSONJNLCX-GDBMZVCRSA-N 1 3 312.458 -0.415 20 0 DBADHO CN1CC[C@H](N2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189055203 834042501 /nfs/dbraw/zinc/04/25/01/834042501.db2.gz OYGPULSZBMQRNJ-MELADBBJSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001189055176 834042662 /nfs/dbraw/zinc/04/26/62/834042662.db2.gz OEZOTVNQFRMNMN-UONOGXRCSA-N 1 3 306.414 -0.238 20 0 DBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc(N2CCOCC2)nc1 ZINC001189395173 834074929 /nfs/dbraw/zinc/07/49/29/834074929.db2.gz NHVSNIQCUTYTMP-UHFFFAOYSA-N 1 3 321.385 -0.612 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCOCCO)C2)CC[N@@H+]1C ZINC001190237689 834148808 /nfs/dbraw/zinc/14/88/08/834148808.db2.gz DFLUTPDPYSFPAR-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](N(C)CCOCCO)C2)CC[N@H+]1C ZINC001190237689 834148814 /nfs/dbraw/zinc/14/88/14/834148814.db2.gz DFLUTPDPYSFPAR-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO CN(CCOCCO)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192018406 834318244 /nfs/dbraw/zinc/31/82/44/834318244.db2.gz UJBYMFAUQPFAJE-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CC[C@H]2NCCO[C@@H]21 ZINC001238325549 834351551 /nfs/dbraw/zinc/35/15/51/834351551.db2.gz JSCAFAKUKBTYHR-BFHYXJOUSA-N 1 3 317.455 -0.328 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)C1 ZINC001192353242 834364103 /nfs/dbraw/zinc/36/41/03/834364103.db2.gz BSYWFGXJEFAUII-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)C1 ZINC001192353242 834364115 /nfs/dbraw/zinc/36/41/15/834364115.db2.gz BSYWFGXJEFAUII-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001192386150 834367099 /nfs/dbraw/zinc/36/70/99/834367099.db2.gz OPWCZHKEQVQBRV-IHRRRGAJSA-N 1 3 301.431 -0.133 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001192386150 834367108 /nfs/dbraw/zinc/36/71/08/834367108.db2.gz OPWCZHKEQVQBRV-IHRRRGAJSA-N 1 3 301.431 -0.133 20 0 DBADHO COc1ncccc1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879089 834368667 /nfs/dbraw/zinc/36/86/67/834368667.db2.gz OKQUZEXSINQZGU-UHFFFAOYSA-N 1 3 302.400 -0.303 20 0 DBADHO O=S(=O)(C1CC[NH2+]CC1)N1CCC2(CC1)CNCCO2 ZINC001239001389 834377038 /nfs/dbraw/zinc/37/70/38/834377038.db2.gz SGONKQWSTHBUPV-UHFFFAOYSA-N 1 3 303.428 -0.477 20 0 DBADHO CCOC(=O)CNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239361589 834396567 /nfs/dbraw/zinc/39/65/67/834396567.db2.gz ASYAOQXDETYBSN-LLVKDONJSA-N 1 3 314.455 -0.112 20 0 DBADHO S=C(NCCN1CCCCC1)N1CCNC[C@]12CC[NH2+]C2 ZINC001239424963 834398830 /nfs/dbraw/zinc/39/88/30/834398830.db2.gz ZTBRFOKGEYOGRP-OAHLLOKOSA-N 1 3 311.499 -0.016 20 0 DBADHO COC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=S)NCCN1CCCCC1 ZINC001239447641 834400086 /nfs/dbraw/zinc/40/00/86/834400086.db2.gz GVRSSQGRUWSRIF-RYUDHWBXSA-N 1 3 314.455 -0.079 20 0 DBADHO O[C@@H](CNCc1noc2c1CNCC2)CC1(O)CC[NH2+]CC1 ZINC001245980933 834406551 /nfs/dbraw/zinc/40/65/51/834406551.db2.gz DNQDISVRUAGOPS-LLVKDONJSA-N 1 3 310.398 -0.725 20 0 DBADHO O=C([C@@H]1C[C@H](N[C@H]2CCNC[C@@H]2F)C[NH2+]1)N1CCSC1 ZINC001246086830 834416228 /nfs/dbraw/zinc/41/62/28/834416228.db2.gz MKMIVOIMXTWSHD-BJDJZHNGSA-N 1 3 302.419 -0.461 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CO1 ZINC001246084517 834416335 /nfs/dbraw/zinc/41/63/35/834416335.db2.gz TUTWSMRWSJFNAJ-OWTLIXCDSA-N 1 3 304.362 -0.251 20 0 DBADHO CC[C@@]1(C(=O)OC)C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246088673 834416854 /nfs/dbraw/zinc/41/68/54/834416854.db2.gz MAEVEVRZFYFAAJ-AUZPSNTRSA-N 1 3 303.378 -0.678 20 0 DBADHO CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246088902 834417252 /nfs/dbraw/zinc/41/72/52/834417252.db2.gz MAEVEVRZFYFAAJ-UVLXDEKHSA-N 1 3 303.378 -0.678 20 0 DBADHO O=c1cc(CN[C@@H]2CSC3(C[NH2+]C3)C2)nc2n1CCCNC2 ZINC001246130397 834419223 /nfs/dbraw/zinc/41/92/23/834419223.db2.gz GRKFGBSFQMHRFW-LBPRGKRZSA-N 1 3 321.450 -0.326 20 0 DBADHO CC[C@@]1(C(=O)OC)C[C@H](NCCOCCOCC[NH3+])CN1 ZINC001246285303 834427376 /nfs/dbraw/zinc/42/73/76/834427376.db2.gz RGBWEPHJFONISW-JSGCOSHPSA-N 1 3 303.403 -0.748 20 0 DBADHO COC(=O)[C@@H](N)CCNC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246333684 834430584 /nfs/dbraw/zinc/43/05/84/834430584.db2.gz LMMAATJEJQCPEP-WJFHSMSDSA-N 1 3 313.398 -0.461 20 0 DBADHO CS(=O)(=O)C1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246412999 834434184 /nfs/dbraw/zinc/43/41/84/834434184.db2.gz DKDVFPDPEBQENF-MCIGGMRASA-N 1 3 305.444 -0.085 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246415879 834434511 /nfs/dbraw/zinc/43/45/11/834434511.db2.gz LPJVXSGRMUGERR-SRVKXCTJSA-N 1 3 300.403 -0.757 20 0 DBADHO CCOC(=O)[C@H](N)C[NH2+]C1C[C@H]2CC(C(=O)OC)C[C@@H](C1)N2 ZINC001246415559 834434525 /nfs/dbraw/zinc/43/45/25/834434525.db2.gz FHZJOLILRYGOHR-UDSBESMDSA-N 1 3 313.398 -0.461 20 0 DBADHO CC[C@]1(C(=O)OC)C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246594858 834442180 /nfs/dbraw/zinc/44/21/80/834442180.db2.gz LSEXXQZSNIHALH-XJKSGUPXSA-N 1 3 310.442 -0.303 20 0 DBADHO O=C([C@@H]1C[C@@H](N2CCNC[C@@H](F)C2)C[NH2+]1)N1CCSC1 ZINC001246595770 834442363 /nfs/dbraw/zinc/44/23/63/834442363.db2.gz IGIKCHYABIUORZ-UTUOFQBUSA-N 1 3 302.419 -0.507 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001192970660 834448411 /nfs/dbraw/zinc/44/84/11/834448411.db2.gz WNYDCKAYCNNXNW-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001192970660 834448416 /nfs/dbraw/zinc/44/84/16/834448416.db2.gz WNYDCKAYCNNXNW-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001192970656 834448453 /nfs/dbraw/zinc/44/84/53/834448453.db2.gz WNYDCKAYCNNXNW-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001192970656 834448459 /nfs/dbraw/zinc/44/84/59/834448459.db2.gz WNYDCKAYCNNXNW-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CNC(=O)[C@@]12CCO[C@@H]1CCN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246711652 834451154 /nfs/dbraw/zinc/45/11/54/834451154.db2.gz VIAXVFUXECBIMI-WOSRLPQWSA-N 1 3 308.426 -0.693 20 0 DBADHO CN(C)C(=O)c1nn([C@@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246748435 834452512 /nfs/dbraw/zinc/45/25/12/834452512.db2.gz UCLVDVRNQDCNLN-LLVKDONJSA-N 1 3 318.425 -0.503 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246869667 834459715 /nfs/dbraw/zinc/45/97/15/834459715.db2.gz HBKHVIUEPNVCHF-KFWWJZLASA-N 1 3 310.442 -0.365 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[C@]12CC[NH2+]C2)O3 ZINC001247009773 834468279 /nfs/dbraw/zinc/46/82/79/834468279.db2.gz LTWIMWOODWFYKM-RGDJUOJXSA-N 1 3 313.423 -0.727 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@@H]1CCOC2(CNC2)C1 ZINC001247009817 834469324 /nfs/dbraw/zinc/46/93/24/834469324.db2.gz MEAJMVWXGOKIKK-JHJVBQTASA-N 1 3 315.439 -0.479 20 0 DBADHO COCC(=O)N1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253408859 834570048 /nfs/dbraw/zinc/57/00/48/834570048.db2.gz JVJSBFJKIKXYCI-ZDUSSCGKSA-N 1 3 301.431 -0.038 20 0 DBADHO COCC(=O)N1CCC([NH2+]C[C@H](O)CNC(C)(C)C)CC1 ZINC001253408859 834570059 /nfs/dbraw/zinc/57/00/59/834570059.db2.gz JVJSBFJKIKXYCI-ZDUSSCGKSA-N 1 3 301.431 -0.038 20 0 DBADHO NCCC[NH2+]CCCCn1cc(CN2C(=O)CCC2=O)nn1 ZINC001254164849 834589991 /nfs/dbraw/zinc/58/99/91/834589991.db2.gz YJMZZXNSZJTFTE-UHFFFAOYSA-N 1 3 308.386 -0.354 20 0 DBADHO C[C@H](CC(=O)N1CCOCC1)N[C@]1(C[NH3+])CN2CCC1CC2 ZINC001256330316 834625055 /nfs/dbraw/zinc/62/50/55/834625055.db2.gz NHCXKEPIZDBAFW-CZUORRHYSA-N 1 3 310.442 -0.364 20 0 DBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001196637899 834796195 /nfs/dbraw/zinc/79/61/95/834796195.db2.gz PBNLGIZCQFHKBY-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970407 834823120 /nfs/dbraw/zinc/82/31/20/834823120.db2.gz CINYMGYFOHATCQ-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261635879 834824078 /nfs/dbraw/zinc/82/40/78/834824078.db2.gz RTCJQBPDHMNXJS-WCQYABFASA-N 1 3 312.414 -0.920 20 0 DBADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319360 834855611 /nfs/dbraw/zinc/85/56/11/834855611.db2.gz BEVPVMVZPCEPMG-HUUCEWRRSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001197536162 834879641 /nfs/dbraw/zinc/87/96/41/834879641.db2.gz MNUNZDNWTXGAIC-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001197536162 834879652 /nfs/dbraw/zinc/87/96/52/834879652.db2.gz MNUNZDNWTXGAIC-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO COCC[C@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001262035406 834897352 /nfs/dbraw/zinc/89/73/52/834897352.db2.gz IVDCUSJWLCROKM-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC001262069944 834901670 /nfs/dbraw/zinc/90/16/70/834901670.db2.gz NIYOOJVIQGCPOV-RQJABVFESA-N 1 3 308.426 -0.027 20 0 DBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC001262069945 834902076 /nfs/dbraw/zinc/90/20/76/834902076.db2.gz NIYOOJVIQGCPOV-XJFOESAGSA-N 1 3 308.426 -0.027 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1O ZINC001198029700 834920255 /nfs/dbraw/zinc/92/02/55/834920255.db2.gz VWGSPGVBIXRVDM-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@H]1O ZINC001198029700 834920265 /nfs/dbraw/zinc/92/02/65/834920265.db2.gz VWGSPGVBIXRVDM-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO COCCn1cc(C(=O)N(CCCC[NH3+])C(=N)N)ccc1=O ZINC001198838645 834973947 /nfs/dbraw/zinc/97/39/47/834973947.db2.gz GNRGAWZDBGBYMT-UHFFFAOYSA-N 1 3 309.370 -0.431 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[n-]2)C1 ZINC001264028124 835002932 /nfs/dbraw/zinc/00/29/32/835002932.db2.gz KNVNKAGPBBQPQM-LLVKDONJSA-N 1 3 323.397 -0.778 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[n-]2)C1 ZINC001264028124 835002939 /nfs/dbraw/zinc/00/29/39/835002939.db2.gz KNVNKAGPBBQPQM-LLVKDONJSA-N 1 3 323.397 -0.778 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[n-]2)C1 ZINC001264028125 835003695 /nfs/dbraw/zinc/00/36/95/835003695.db2.gz KNVNKAGPBBQPQM-NSHDSACASA-N 1 3 323.397 -0.778 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCc2nc(C[NH2+]CCCO)cc(=O)[n-]2)C1 ZINC001264028125 835003707 /nfs/dbraw/zinc/00/37/07/835003707.db2.gz KNVNKAGPBBQPQM-NSHDSACASA-N 1 3 323.397 -0.778 20 0 DBADHO NC(=O)CNC[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528695 835135532 /nfs/dbraw/zinc/13/55/32/835135532.db2.gz MNYHUABRMWLFKI-KBPBESRZSA-N 1 3 324.425 -0.979 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001200537918 835135633 /nfs/dbraw/zinc/13/56/33/835135633.db2.gz VOTOIPSRNHEYGO-FRRDWIJNSA-N 1 3 312.414 -0.981 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001200537918 835135634 /nfs/dbraw/zinc/13/56/34/835135634.db2.gz VOTOIPSRNHEYGO-FRRDWIJNSA-N 1 3 312.414 -0.981 20 0 DBADHO CCS(=O)(=O)NCCN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001265444900 835141924 /nfs/dbraw/zinc/14/19/24/835141924.db2.gz BIIPROHZOPRZRS-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001200657972 835144415 /nfs/dbraw/zinc/14/44/15/835144415.db2.gz FWFVEMUNGKWRLN-ZIAGYGMSSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200851845 835155528 /nfs/dbraw/zinc/15/55/28/835155528.db2.gz RWBHPEMTKJXSNH-GFCCVEGCSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001200851845 835155531 /nfs/dbraw/zinc/15/55/31/835155531.db2.gz RWBHPEMTKJXSNH-GFCCVEGCSA-N 1 3 314.430 -0.591 20 0 DBADHO NC(=O)CNC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887524 835158431 /nfs/dbraw/zinc/15/84/31/835158431.db2.gz NEYUZPRKZMHVAO-CYBMUJFWSA-N 1 3 324.425 -0.693 20 0 DBADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001201238888 835177620 /nfs/dbraw/zinc/17/76/20/835177620.db2.gz DQPZHZCPNOZZMI-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001201259893 835178395 /nfs/dbraw/zinc/17/83/95/835178395.db2.gz DYUNSEOZZJGHJC-LBPRGKRZSA-N 1 3 312.414 -0.979 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001202162844 835236162 /nfs/dbraw/zinc/23/61/62/835236162.db2.gz ALOXOJAISSTBSS-CHWSQXEVSA-N 1 3 314.430 -0.593 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2)C1CCC1 ZINC001203035760 835279679 /nfs/dbraw/zinc/27/96/79/835279679.db2.gz GYQOQWFLIZNCMV-OLZOCXBDSA-N 1 3 308.426 -0.027 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001266439054 835308439 /nfs/dbraw/zinc/30/84/39/835308439.db2.gz HDEYVUQHHIKNOI-QWHCGFSZSA-N 1 3 324.425 -0.382 20 0 DBADHO NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001205345787 835340570 /nfs/dbraw/zinc/34/05/70/835340570.db2.gz YKKHJFQMKOAYFA-KGLIPLIRSA-N 1 3 324.425 -0.837 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001266601996 835344476 /nfs/dbraw/zinc/34/44/76/835344476.db2.gz RWJGVTGYIVTQAR-JHJVBQTASA-N 1 3 324.425 -0.288 20 0 DBADHO CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702360 835364204 /nfs/dbraw/zinc/36/42/04/835364204.db2.gz YRQXLSMUMDUPQG-CHWSQXEVSA-N 1 3 322.409 -0.819 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CC[C@@H](N)[C@H](F)CC2)O1 ZINC001206156352 835382437 /nfs/dbraw/zinc/38/24/37/835382437.db2.gz QIEGMLHHVBUFDX-NJMOYASZSA-N 1 3 306.378 -0.379 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H](N)[C@H](F)CC2)O1 ZINC001206156352 835382441 /nfs/dbraw/zinc/38/24/41/835382441.db2.gz QIEGMLHHVBUFDX-NJMOYASZSA-N 1 3 306.378 -0.379 20 0 DBADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001266988674 835422302 /nfs/dbraw/zinc/42/23/02/835422302.db2.gz NPDUZPKOFMCSRJ-CHWSQXEVSA-N 1 3 319.471 -0.191 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001267019263 835430384 /nfs/dbraw/zinc/43/03/84/835430384.db2.gz JQNKZRDYLDBORN-LBPRGKRZSA-N 1 3 305.382 -0.331 20 0 DBADHO O=C(CN1CCCC1)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001206928923 835438950 /nfs/dbraw/zinc/43/89/50/835438950.db2.gz NHXIWVHOUXJXGD-UHFFFAOYSA-N 1 3 313.442 -0.081 20 0 DBADHO CN(CCNCC(=O)NCC1CCC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267071043 835439598 /nfs/dbraw/zinc/43/95/98/835439598.db2.gz CAKNEYXEKIUHLG-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CCNCC(=O)NCC1CCC1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267071043 835439599 /nfs/dbraw/zinc/43/95/99/835439599.db2.gz CAKNEYXEKIUHLG-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CCNCCS(C)(=O)=O)C(=O)CC[NH+]1CCCCC1 ZINC001267117034 835445205 /nfs/dbraw/zinc/44/52/05/835445205.db2.gz LYMJXLZNYZLQSA-UHFFFAOYSA-N 1 3 319.471 -0.045 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268010663 835619576 /nfs/dbraw/zinc/61/95/76/835619576.db2.gz CSNPBJBTWRPHFC-ONGXEEELSA-N 1 3 321.381 -0.592 20 0 DBADHO C[C@H](CN[C@@H]1CCC(=O)NC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001268080094 835629925 /nfs/dbraw/zinc/62/99/25/835629925.db2.gz GZWZTORHMCEJQF-VXGBXAGGSA-N 1 3 324.425 -0.430 20 0 DBADHO CCN(CC[NH2+]C[C@H](O)Cn1cccn1)C(=O)[C@@H]1CCCN1C ZINC001268438045 835692589 /nfs/dbraw/zinc/69/25/89/835692589.db2.gz BVHUNXNOJWJAFI-GJZGRUSLSA-N 1 3 323.441 -0.224 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCN1CCCC1=O ZINC001268524860 835716791 /nfs/dbraw/zinc/71/67/91/835716791.db2.gz WEQKHYORYMYUDY-PYLYLYNFSA-N 1 3 308.426 -0.035 20 0 DBADHO C[NH+](C)CC1(C(=O)NC/C=C\CN[C@H]2CCCNC2=O)CC1 ZINC001268583843 835742921 /nfs/dbraw/zinc/74/29/21/835742921.db2.gz WEVMTYIWHZWJLY-SCOBNMCVSA-N 1 3 308.426 -0.131 20 0 DBADHO C[NH+](C)CC1(C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)CC1 ZINC001268583841 835743203 /nfs/dbraw/zinc/74/32/03/835743203.db2.gz WEVMTYIWHZWJLY-ITDFMYJTSA-N 1 3 308.426 -0.131 20 0 DBADHO C[NH+]1CCC(C(=O)NC/C=C\CN[C@H]2CCC(=O)NC2=O)CC1 ZINC001268586507 835744727 /nfs/dbraw/zinc/74/47/27/835744727.db2.gz DMODGSBAMSGDSE-ZRMMWKCHSA-N 1 3 322.409 -0.605 20 0 DBADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CCN1CCCC1=O ZINC001268625058 835757118 /nfs/dbraw/zinc/75/71/18/835757118.db2.gz KDYSXGQDHHLJIY-OWOJBTEDSA-N 1 3 308.426 -0.033 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)NC)C1 ZINC001485647894 1013309570 /nfs/dbraw/zinc/30/95/70/1013309570.db2.gz VLMNYYXRFRHBSY-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)NCC(=O)NC)C1 ZINC001485647894 1013309584 /nfs/dbraw/zinc/30/95/84/1013309584.db2.gz VLMNYYXRFRHBSY-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H]1[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1CCCC1 ZINC001486097471 1013671323 /nfs/dbraw/zinc/67/13/23/1013671323.db2.gz UDJFEKMBBPACLP-TZMCWYRMSA-N 1 3 308.426 -0.060 20 0 DBADHO CO[C@H](C)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001486282068 1013781342 /nfs/dbraw/zinc/78/13/42/1013781342.db2.gz YOBTZIOPWYKISW-CHWSQXEVSA-N 1 3 301.431 -0.086 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H](CNCC(=O)NC(N)=O)C(C)(C)C ZINC001486408884 1013835543 /nfs/dbraw/zinc/83/55/43/1013835543.db2.gz FFUPUFAISOIUET-SNVBAGLBSA-N 1 3 315.418 -0.747 20 0 DBADHO CNS(=O)(=O)[C@@H]1CCCN(C[C@@]2(O)CCC[NH2+]CC2)C1 ZINC001578745051 1020287407 /nfs/dbraw/zinc/28/74/07/1020287407.db2.gz RASBTMXNJDNVGI-CHWSQXEVSA-N 1 3 305.444 -0.495 20 0 DBADHO O=C(N[C@H]1CCC[N@@H+](CCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001052572865 977769373 /nfs/dbraw/zinc/76/93/73/977769373.db2.gz QPQPJUPHFUPVMT-KRIMKBQASA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(N[C@H]1CCC[N@H+](CCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001052572865 977769382 /nfs/dbraw/zinc/76/93/82/977769382.db2.gz QPQPJUPHFUPVMT-KRIMKBQASA-N 1 3 323.437 -0.187 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063425 978315655 /nfs/dbraw/zinc/31/56/55/978315655.db2.gz NEGJFBKDMJRACT-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1 ZINC001208262205 978327842 /nfs/dbraw/zinc/32/78/42/978327842.db2.gz ZSZPDVTWORHQTM-STQMWFEESA-N 1 3 316.421 -0.007 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001209325017 978448270 /nfs/dbraw/zinc/44/82/70/978448270.db2.gz WDFZKGBWRAKLPR-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001209642019 978468256 /nfs/dbraw/zinc/46/82/56/978468256.db2.gz KXTLAYADXUXONP-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001210217279 978502920 /nfs/dbraw/zinc/50/29/20/978502920.db2.gz GDRXSNHRYOLZIN-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 ZINC001210494605 978515103 /nfs/dbraw/zinc/51/51/03/978515103.db2.gz WPIZKKTVEUDIBH-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 ZINC001210494605 978515110 /nfs/dbraw/zinc/51/51/10/978515110.db2.gz WPIZKKTVEUDIBH-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001210492395 978515976 /nfs/dbraw/zinc/51/59/76/978515976.db2.gz ARBDBHUJDKHGGH-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCC(=O)NC(N)=O)C1 ZINC001210492395 978515988 /nfs/dbraw/zinc/51/59/88/978515988.db2.gz ARBDBHUJDKHGGH-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO Cn1nncc1CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678954 978527128 /nfs/dbraw/zinc/52/71/28/978527128.db2.gz YSIDRDAGVPCZMP-CYBMUJFWSA-N 1 3 324.429 -0.526 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001210811518 978532969 /nfs/dbraw/zinc/53/29/69/978532969.db2.gz PCWSYNACOOADRG-QWHCGFSZSA-N 1 3 324.425 -0.286 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001210811186 978535179 /nfs/dbraw/zinc/53/51/79/978535179.db2.gz KWKSEGWEDHWUME-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001211063826 978552059 /nfs/dbraw/zinc/55/20/59/978552059.db2.gz AUQCKTXCWATHJU-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001211063826 978552061 /nfs/dbraw/zinc/55/20/61/978552061.db2.gz AUQCKTXCWATHJU-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064512 978552499 /nfs/dbraw/zinc/55/24/99/978552499.db2.gz OJQCKXAYLIKEEU-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064512 978552506 /nfs/dbraw/zinc/55/25/06/978552506.db2.gz OJQCKXAYLIKEEU-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211268613 978562702 /nfs/dbraw/zinc/56/27/02/978562702.db2.gz KFEZIBRPEDJBFJ-LLVKDONJSA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211276001 978563772 /nfs/dbraw/zinc/56/37/72/978563772.db2.gz CWBNDCHIERVYSP-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO CO[C@@H]1CN(CCC[C@H](C)O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378243 978672323 /nfs/dbraw/zinc/67/23/23/978672323.db2.gz IQJVBHDCETXGRY-BFHYXJOUSA-N 1 3 301.431 -0.086 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001214757744 978749972 /nfs/dbraw/zinc/74/99/72/978749972.db2.gz VHTNBUDYFNIXSB-IJLUTSLNSA-N 1 3 302.394 -0.412 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847530 978754597 /nfs/dbraw/zinc/75/45/97/978754597.db2.gz IIOSYMOXBDJDPY-MGPQQGTHSA-N 1 3 313.442 -0.086 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001215453886 978769765 /nfs/dbraw/zinc/76/97/65/978769765.db2.gz XIXRYDAEBWPHLF-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415561 978769942 /nfs/dbraw/zinc/76/99/42/978769942.db2.gz AJJGMLXMBYZQLC-JHJVBQTASA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCCC1 ZINC001215459110 978771744 /nfs/dbraw/zinc/77/17/44/978771744.db2.gz XYVUIIFATSWFAC-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001215571465 978772651 /nfs/dbraw/zinc/77/26/51/978772651.db2.gz OQFGYEAHXHGMST-RQJABVFESA-N 1 3 301.431 -0.230 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001215993936 978780154 /nfs/dbraw/zinc/78/01/54/978780154.db2.gz ITGHQCZHZDRQNH-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001215998956 978781040 /nfs/dbraw/zinc/78/10/40/978781040.db2.gz JEYHSRJTHVPULG-ZIAGYGMSSA-N 1 3 301.431 -0.226 20 0 DBADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001216384103 978785310 /nfs/dbraw/zinc/78/53/10/978785310.db2.gz YBRPRYRZIMSYFD-HZSPNIEDSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001216384103 978785317 /nfs/dbraw/zinc/78/53/17/978785317.db2.gz YBRPRYRZIMSYFD-HZSPNIEDSA-N 1 3 310.442 -0.147 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001216511166 978787501 /nfs/dbraw/zinc/78/75/01/978787501.db2.gz KVICAUXMNQEKHC-FRRDWIJNSA-N 1 3 324.425 -0.430 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216753983 978793326 /nfs/dbraw/zinc/79/33/26/978793326.db2.gz CNAIDVPTTHYVEV-MBNYWOFBSA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216753983 978793330 /nfs/dbraw/zinc/79/33/30/978793330.db2.gz CNAIDVPTTHYVEV-MBNYWOFBSA-N 1 3 308.426 -0.347 20 0 DBADHO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@H]1CCN(C)C1 ZINC001218038999 978818820 /nfs/dbraw/zinc/81/88/20/978818820.db2.gz QISDNGMWHXTBBU-VIFPVBQESA-N 1 3 324.381 -0.156 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+][C@H](C)C1 ZINC001218046356 978819202 /nfs/dbraw/zinc/81/92/02/978819202.db2.gz WGQYWQIKDUYXHP-BDAKNGLRSA-N 1 3 324.381 -0.110 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(OC[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC001218072909 978820728 /nfs/dbraw/zinc/82/07/28/978820728.db2.gz HYCIGAFWBIJANR-KGLIPLIRSA-N 1 3 305.378 -0.059 20 0 DBADHO O=C(Nc1ccc(N2CCOCC2)nc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218551209 978831655 /nfs/dbraw/zinc/83/16/55/978831655.db2.gz JAUPNWWQYIKNSZ-ZDUSSCGKSA-N 1 3 317.393 -0.334 20 0 DBADHO N[C@@H](C(=O)Nc1cncc(N2CCOCC2)n1)C1CC[NH2+]CC1 ZINC001218575109 978832428 /nfs/dbraw/zinc/83/24/28/978832428.db2.gz BXHNSRYEJJDAOP-CQSZACIVSA-N 1 3 320.397 -0.421 20 0 DBADHO O=C(Nc1nccnc1N1CCOCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001218571593 978832727 /nfs/dbraw/zinc/83/27/27/978832727.db2.gz XZSMKEJLZWHYEA-LLVKDONJSA-N 1 3 318.381 -0.939 20 0 DBADHO COC(=O)c1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1C ZINC001218631291 978838340 /nfs/dbraw/zinc/83/83/40/978838340.db2.gz ISQRRPFLMPGIHP-MEBBXXQBSA-N 1 3 306.366 -0.051 20 0 DBADHO O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@@H]1CNCc2ccnn2C1 ZINC001218640156 978839425 /nfs/dbraw/zinc/83/94/25/978839425.db2.gz KBIXSEGWYKRUAR-SNVBAGLBSA-N 1 3 301.354 -0.418 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641382 978840047 /nfs/dbraw/zinc/84/00/47/978840047.db2.gz QCMMVDHYPXRZCZ-LBPRGKRZSA-N 1 3 308.386 -0.545 20 0 DBADHO CCOC(=O)c1ncncc1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001218679514 978844106 /nfs/dbraw/zinc/84/41/06/978844106.db2.gz ULPXKEJNMVKUPS-NSHDSACASA-N 1 3 307.354 -0.081 20 0 DBADHO O=C(Nc1ncccc1N1CCOCC1)[C@H]1C[NH2+]CC12CNC2 ZINC001218712878 978847008 /nfs/dbraw/zinc/84/70/08/978847008.db2.gz KQPLZOOOKRZDBD-GFCCVEGCSA-N 1 3 317.393 -0.334 20 0 DBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218711023 978847285 /nfs/dbraw/zinc/84/72/85/978847285.db2.gz KONVCHHOMTWSGF-GXSJLCMTSA-N 1 3 307.354 -0.632 20 0 DBADHO COC[C@@H](C)Oc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[nH]n1 ZINC001218719987 978847910 /nfs/dbraw/zinc/84/79/10/978847910.db2.gz VYRDMBCQIYBAQT-UEKVPHQBSA-N 1 3 323.397 -0.039 20 0 DBADHO O=C(Nc1cc2n(n1)CC(F)(F)CO2)[C@@H]1C[NH2+]CC12CNC2 ZINC001218751384 978850804 /nfs/dbraw/zinc/85/08/04/978850804.db2.gz FUNAXSZMRVDWGY-QMMMGPOBSA-N 1 3 313.308 -0.342 20 0 DBADHO Nc1ccc(OCCO)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218919359 978859225 /nfs/dbraw/zinc/85/92/25/978859225.db2.gz NTUMZQBUXKFFCF-LLVKDONJSA-N 1 3 306.366 -0.613 20 0 DBADHO Nc1ccc(OCCO)c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001218919331 978860020 /nfs/dbraw/zinc/86/00/20/978860020.db2.gz NBPQWCZNQOUKOJ-CQSZACIVSA-N 1 3 308.382 -0.095 20 0 DBADHO COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001218936063 978861308 /nfs/dbraw/zinc/86/13/08/978861308.db2.gz YWHATULARMOSEY-KWQFWETISA-N 1 3 321.333 -0.113 20 0 DBADHO NC(=O)c1cc(O)cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001219441731 978943336 /nfs/dbraw/zinc/94/33/36/978943336.db2.gz PCWMUIVRMBDKLF-MEBBXXQBSA-N 1 3 304.350 -0.371 20 0 DBADHO COc1cc2c(cc1NC(=O)[C@@H](N)CN)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501581 978953744 /nfs/dbraw/zinc/95/37/44/978953744.db2.gz XEIBIVRAVDGDHO-BJOHPYRUSA-N 1 3 319.365 -0.897 20 0 DBADHO CN1CCNC[C@@H]1C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219540539 978961291 /nfs/dbraw/zinc/96/12/91/978961291.db2.gz HEDZUJDCQKLOAK-QKCSRTOESA-N 1 3 302.378 -0.024 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N[C@@]2(C(F)(F)F)CC[NH2+]C2)C1=O ZINC001219611559 978978438 /nfs/dbraw/zinc/97/84/38/978978438.db2.gz ZVTVIEWJQFTYDR-CABZTGNLSA-N 1 3 322.331 -0.263 20 0 DBADHO COC(=O)c1csc(CNC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001219669420 978988913 /nfs/dbraw/zinc/98/89/13/978988913.db2.gz XQLHIHPOLKDDNM-ZETCQYMHSA-N 1 3 318.424 -0.435 20 0 DBADHO CCOc1ccc(C[C@H](N)C(=O)NCCC2(O)C[NH2+]C2)cc1 ZINC001219697306 978995889 /nfs/dbraw/zinc/99/58/89/978995889.db2.gz RPVBYRDGRKFZQB-AWEZNQCLSA-N 1 3 307.394 -0.204 20 0 DBADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1cncc2c1CCNC2 ZINC001219738954 979005631 /nfs/dbraw/zinc/00/56/31/979005631.db2.gz CPMDJXRDPJEJBT-GFCCVEGCSA-N 1 3 302.378 -0.164 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743631 979006434 /nfs/dbraw/zinc/00/64/34/979006434.db2.gz IHQCCOWPIQNXQI-IDFMNXDXSA-N 1 3 317.455 -0.500 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219769209 979011080 /nfs/dbraw/zinc/01/10/80/979011080.db2.gz UIYNDCXMTNTAEK-COPLHBTASA-N 1 3 300.378 -0.468 20 0 DBADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@H]1CNCc2ccnn2C1 ZINC001219801418 979018104 /nfs/dbraw/zinc/01/81/04/979018104.db2.gz ZIYBOHFCDGKWFM-QWHCGFSZSA-N 1 3 319.409 -0.513 20 0 DBADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1[nH]nc2c1CCNC2 ZINC001219803284 979018761 /nfs/dbraw/zinc/01/87/61/979018761.db2.gz PJBZNKOMJJZFDM-JTQLQIEISA-N 1 3 305.382 -0.446 20 0 DBADHO O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@@H]1COC2(CNC2)CN1 ZINC001219816354 979024900 /nfs/dbraw/zinc/02/49/00/979024900.db2.gz IYKRIYHSQOVPQX-ILXRZTDVSA-N 1 3 316.405 -0.464 20 0 DBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CNC[C@H](F)C1 ZINC001219835247 979027340 /nfs/dbraw/zinc/02/73/40/979027340.db2.gz ZULSTOMWNWZSAV-BHPKHCPMSA-N 1 3 315.389 -0.555 20 0 DBADHO O=C(NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@@H](F)CCN1 ZINC001219834023 979027741 /nfs/dbraw/zinc/02/77/41/979027741.db2.gz NRCVNMOUVFMLCA-PWNZVWSESA-N 1 3 315.389 -0.412 20 0 DBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CNC[C@@H](F)C1 ZINC001219835252 979027812 /nfs/dbraw/zinc/02/78/12/979027812.db2.gz ZULSTOMWNWZSAV-OSFYFWSMSA-N 1 3 315.389 -0.555 20 0 DBADHO CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCC[NH3+] ZINC001219872408 979036779 /nfs/dbraw/zinc/03/67/79/979036779.db2.gz CMFAKKLBMNBRRL-UWVGGRQHSA-N 1 3 322.500 -0.620 20 0 DBADHO Cn1cc2c(n1)[C@@H](CNC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)OCC2 ZINC001219885033 979037948 /nfs/dbraw/zinc/03/79/48/979037948.db2.gz FVDGZCSWJAKYMK-XJKCOSOUSA-N 1 3 319.409 -0.651 20 0 DBADHO CN1C(=O)CCC12CCC(NC(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001219896081 979041664 /nfs/dbraw/zinc/04/16/64/979041664.db2.gz KWPKUFWPEBXKTG-JZLYGMAVSA-N 1 3 320.437 -0.155 20 0 DBADHO O=C(NC[C@@H](O)COc1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219918020 979043497 /nfs/dbraw/zinc/04/34/97/979043497.db2.gz CABOVFPFCJIUGR-CKEIUWERSA-N 1 3 319.405 -0.258 20 0 DBADHO [NH3+][C@H]1CN[C@H](C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC001219940641 979047236 /nfs/dbraw/zinc/04/72/36/979047236.db2.gz ASPNXUDCEDFJJY-KGLIPLIRSA-N 1 3 310.442 -0.173 20 0 DBADHO N[C@H]1C[NH2+][C@H](C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC001219940641 979047239 /nfs/dbraw/zinc/04/72/39/979047239.db2.gz ASPNXUDCEDFJJY-KGLIPLIRSA-N 1 3 310.442 -0.173 20 0 DBADHO NC(=O)c1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc1 ZINC001219961809 979050377 /nfs/dbraw/zinc/05/03/77/979050377.db2.gz XBFMYMRUMGAHMU-CZUORRHYSA-N 1 3 302.378 -0.399 20 0 DBADHO Cn1c(=O)[nH]c(=O)c(N=O)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219984266 979056962 /nfs/dbraw/zinc/05/69/62/979056962.db2.gz BRDKYLSOKNDXAD-FUXBKTLASA-N 1 3 322.325 -0.979 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020409 979066100 /nfs/dbraw/zinc/06/61/00/979066100.db2.gz HOKFKWPXPCATGJ-ONGXEEELSA-N 1 3 308.386 -0.660 20 0 DBADHO COC(=O)[C@@H](NC(=O)[C@H](N)C1CC[NH2+]CC1)C1CCOCC1 ZINC001220025867 979067655 /nfs/dbraw/zinc/06/76/55/979067655.db2.gz ZBVJJSNTDDYHMK-OLZOCXBDSA-N 1 3 313.398 -0.602 20 0 DBADHO N=c1sc2c(n1C(=O)[C@@H](N)Cc1c[nH]cn1)CC[C@H]([NH3+])C2 ZINC001220023304 979068418 /nfs/dbraw/zinc/06/84/18/979068418.db2.gz UVKBLIVFQWYGKD-CBAPKCEASA-N 1 3 306.395 -0.222 20 0 DBADHO N=c1sc2c(n1C(=O)[C@@H](N)Cc1cnc[nH]1)CC[C@H]([NH3+])C2 ZINC001220023304 979068430 /nfs/dbraw/zinc/06/84/30/979068430.db2.gz UVKBLIVFQWYGKD-CBAPKCEASA-N 1 3 306.395 -0.222 20 0 DBADHO COC(=O)[C@@H](NC(=O)[C@@H](N)C1CC[NH2+]CC1)C1CCOCC1 ZINC001220025868 979070194 /nfs/dbraw/zinc/07/01/94/979070194.db2.gz ZBVJJSNTDDYHMK-STQMWFEESA-N 1 3 313.398 -0.602 20 0 DBADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CSCC[NH3+])C1CCOCC1 ZINC001220024843 979070266 /nfs/dbraw/zinc/07/02/66/979070266.db2.gz CVCNLOLNKQCRCL-QWRGUYRKSA-N 1 3 319.427 -0.910 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)n1ccc(C[NH3+])cc1=N ZINC001220045346 979075966 /nfs/dbraw/zinc/07/59/66/979075966.db2.gz WQXUKNHEUBKIMS-JQWIXIFHSA-N 1 3 307.398 -0.055 20 0 DBADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220062143 979081632 /nfs/dbraw/zinc/08/16/32/979081632.db2.gz NTBFKTHFWBARKO-KGLIPLIRSA-N 1 3 310.442 -0.303 20 0 DBADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220062143 979081640 /nfs/dbraw/zinc/08/16/40/979081640.db2.gz NTBFKTHFWBARKO-KGLIPLIRSA-N 1 3 310.442 -0.303 20 0 DBADHO O=C(Nc1cc(=O)[nH]c(=O)n1C1CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220066192 979082543 /nfs/dbraw/zinc/08/25/43/979082543.db2.gz UIHOIRVBEZZAEY-SECBINFHSA-N 1 3 305.338 -0.969 20 0 DBADHO CCOC(=O)C(F)(F)CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220096942 979093053 /nfs/dbraw/zinc/09/30/53/979093053.db2.gz NJHNGRIREXEZMQ-BXKDBHETSA-N 1 3 305.325 -0.500 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC23CNC3)[C@@H](C)OC1 ZINC001220138888 979110073 /nfs/dbraw/zinc/11/00/73/979110073.db2.gz JRBPHIFXSFNGLH-MWLCHTKSSA-N 1 3 309.366 -0.853 20 0 DBADHO CCOC(=O)CC1(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)COC1 ZINC001220214753 979136221 /nfs/dbraw/zinc/13/62/21/979136221.db2.gz HDWRDDYPAZWOOU-IAQYHMDHSA-N 1 3 311.382 -0.976 20 0 DBADHO CCOCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238209 979145259 /nfs/dbraw/zinc/14/52/59/979145259.db2.gz PPGNZRFJRDCSKD-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO N[C@H](C(=O)NCCn1nnc2ccccc21)C1CC[NH2+]CC1 ZINC001220272991 979151654 /nfs/dbraw/zinc/15/16/54/979151654.db2.gz VPCDWHAMACXCGW-AWEZNQCLSA-N 1 3 302.382 -0.126 20 0 DBADHO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NCc1ncn2c1CNCCC2 ZINC001220313389 979161029 /nfs/dbraw/zinc/16/10/29/979161029.db2.gz OOIIXLHXDOCHOF-RISCZKNCSA-N 1 3 321.381 -0.856 20 0 DBADHO C[C@]1(C(=O)NCc2ncn3c2CNCCC3)CC[NH2+]C[C@@H]1O ZINC001220311103 979161601 /nfs/dbraw/zinc/16/16/01/979161601.db2.gz KKWALRAFBYZJMK-ZFWWWQNUSA-N 1 3 307.398 -0.647 20 0 DBADHO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NCc1ncn2c1CNCCC2 ZINC001220313388 979161842 /nfs/dbraw/zinc/16/18/42/979161842.db2.gz OOIIXLHXDOCHOF-FZMZJTMJSA-N 1 3 321.381 -0.856 20 0 DBADHO C[C@@]1(C(=O)NCc2ncn3c2CNCCC3)CC[NH2+]C[C@H]1O ZINC001220311102 979162325 /nfs/dbraw/zinc/16/23/25/979162325.db2.gz KKWALRAFBYZJMK-UKRRQHHQSA-N 1 3 307.398 -0.647 20 0 DBADHO O=C(NCc1ncn2c1CNCCC2)[C@@H]1C[C@@H]2CC[NH2+]C[C@H]2O1 ZINC001220311371 979162349 /nfs/dbraw/zinc/16/23/49/979162349.db2.gz NGHRMTPJGZCGGM-TUKIKUTGSA-N 1 3 319.409 -0.240 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220318905 979166853 /nfs/dbraw/zinc/16/68/53/979166853.db2.gz BSBDZJPRWJGLFE-PGINHQJXSA-N 1 3 303.428 -0.890 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC001220321043 979166878 /nfs/dbraw/zinc/16/68/78/979166878.db2.gz RRDVSGKQADNLGW-DVOMOZLQSA-N 1 3 324.425 -0.647 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220318908 979166943 /nfs/dbraw/zinc/16/69/43/979166943.db2.gz BSBDZJPRWJGLFE-ZITPEPEPSA-N 1 3 303.428 -0.890 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N[C@H]2CO[C@]3(C2)CCC[NH2+]C3)C1=O ZINC001220321046 979167451 /nfs/dbraw/zinc/16/74/51/979167451.db2.gz RRDVSGKQADNLGW-WWGRRREGSA-N 1 3 324.425 -0.647 20 0 DBADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1[nH]nc2c1CNCC2 ZINC001220323669 979169558 /nfs/dbraw/zinc/16/95/58/979169558.db2.gz JYYRBNAOXGEALW-ZUZCIYMTSA-N 1 3 305.382 -0.304 20 0 DBADHO CCOC(=O)C1(NC(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CCN(C)CC1 ZINC001220345912 979175955 /nfs/dbraw/zinc/17/59/55/979175955.db2.gz SKKUJURMEYWKRY-HSMVNMDESA-N 1 3 324.425 -0.648 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1COCCN1C ZINC001220380659 979182066 /nfs/dbraw/zinc/18/20/66/979182066.db2.gz BCEKIAXLZJLTTH-KBPBESRZSA-N 1 3 300.447 -0.071 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)NCc1ccc(N2CCOCC2)nn1 ZINC001220389579 979185168 /nfs/dbraw/zinc/18/51/68/979185168.db2.gz AEUARKDVFNCYHR-ZDUSSCGKSA-N 1 3 322.413 -0.614 20 0 DBADHO O=C(N[C@@H]1C(=O)NCc2ccccc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220403481 979191009 /nfs/dbraw/zinc/19/10/09/979191009.db2.gz SKDVEUWSXOXITJ-OLZOCXBDSA-N 1 3 300.362 -0.717 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001220424906 979197332 /nfs/dbraw/zinc/19/73/32/979197332.db2.gz YINIUOOTKCANQR-JTQLQIEISA-N 1 3 311.386 -0.080 20 0 DBADHO CSc1nc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cc(=O)n1C ZINC001220436524 979202293 /nfs/dbraw/zinc/20/22/93/979202293.db2.gz WYJKCOGNCLDRCR-YMTOWFKASA-N 1 3 323.422 -0.360 20 0 DBADHO CC(C)[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(=O)N1CCOCC1 ZINC001220454000 979203780 /nfs/dbraw/zinc/20/37/80/979203780.db2.gz OEINLFHKJKSEIL-RYUDHWBXSA-N 1 3 300.403 -0.948 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@]2(C)CC[NH2+]C[C@@H]2O)CCNC1 ZINC001220521214 979223594 /nfs/dbraw/zinc/22/35/94/979223594.db2.gz AASLORCFGDQRIP-WFASDCNBSA-N 1 3 311.382 -0.726 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccccc1-n1cnnn1 ZINC001220670959 979262236 /nfs/dbraw/zinc/26/22/36/979262236.db2.gz RKSCLNJJSXHHGM-NSHDSACASA-N 1 3 321.410 -0.702 20 0 DBADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1COC3(CNC3)CN1)C2 ZINC001220716956 979271655 /nfs/dbraw/zinc/27/16/55/979271655.db2.gz VQRRAUYSXOANOD-YIYPIFLZSA-N 1 3 308.426 -0.552 20 0 DBADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H]1COC3(CNC3)CN1)C2 ZINC001220716956 979271665 /nfs/dbraw/zinc/27/16/65/979271665.db2.gz VQRRAUYSXOANOD-YIYPIFLZSA-N 1 3 308.426 -0.552 20 0 DBADHO COCCCN1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220801806 979291933 /nfs/dbraw/zinc/29/19/33/979291933.db2.gz KZJCKAOOLSMKHK-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOC(=O)C1(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CNC1 ZINC001220851271 979305206 /nfs/dbraw/zinc/30/52/06/979305206.db2.gz OHRJCASCZKZBFW-ZDUSSCGKSA-N 1 3 303.362 -0.278 20 0 DBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220961069 979336205 /nfs/dbraw/zinc/33/62/05/979336205.db2.gz YXRGKHXMWFHUSY-AGIUHOORSA-N 1 3 313.398 -0.602 20 0 DBADHO CCc1nnc2ccc(CNC(=O)[C@@H](N)CSCC[NH3+])cn21 ZINC001220992357 979339635 /nfs/dbraw/zinc/33/96/35/979339635.db2.gz NGEDNFAGUUDTNK-NSHDSACASA-N 1 3 322.438 -0.073 20 0 DBADHO O=C(NC1=CC(=O)NCC1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001221316974 979399200 /nfs/dbraw/zinc/39/92/00/979399200.db2.gz QIEDAFBPAKZJHH-LBPRGKRZSA-N 1 3 306.410 -0.030 20 0 DBADHO O=C(NC1=CC(=O)NCC1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001221316974 979399209 /nfs/dbraw/zinc/39/92/09/979399209.db2.gz QIEDAFBPAKZJHH-LBPRGKRZSA-N 1 3 306.410 -0.030 20 0 DBADHO O=C(NC1=CC(=O)NCC1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001221316974 979399224 /nfs/dbraw/zinc/39/92/24/979399224.db2.gz QIEDAFBPAKZJHH-LBPRGKRZSA-N 1 3 306.410 -0.030 20 0 DBADHO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221333984 979404851 /nfs/dbraw/zinc/40/48/51/979404851.db2.gz WQRKMOUAYJVDEC-GJZGRUSLSA-N 1 3 316.405 -0.771 20 0 DBADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221357081 979408137 /nfs/dbraw/zinc/40/81/37/979408137.db2.gz LVYDCQSPPVGHBR-KGLIPLIRSA-N 1 3 324.469 -0.342 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)CNC3CC[NH2+]CC3)CC2)NC1 ZINC001221390606 979410644 /nfs/dbraw/zinc/41/06/44/979410644.db2.gz HGFUWJIMHUYSLU-UHFFFAOYSA-N 1 3 319.453 -0.104 20 0 DBADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H]2COC3(CNC3)CN2)c1 ZINC001221403273 979414376 /nfs/dbraw/zinc/41/43/76/979414376.db2.gz AVJDMHGIYWMQOU-KGLIPLIRSA-N 1 3 320.393 -0.858 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCC(C2=CC=C(N)C[NH2+]2)CC1 ZINC001221393113 979415762 /nfs/dbraw/zinc/41/57/62/979415762.db2.gz WHHLEDRWWWJCGD-QWRGUYRKSA-N 1 3 321.425 -0.593 20 0 DBADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)NC1(CO)CCN(C)CC1 ZINC001221404628 979416862 /nfs/dbraw/zinc/41/68/62/979416862.db2.gz KSJNWJHYYKKRSU-ZDUSSCGKSA-N 1 3 314.430 -0.807 20 0 DBADHO CCOC(=O)[C@@]12CN(C[C@H]3COCCN3)C[C@@H]1C[NH2+]CCC2 ZINC001222125230 979495825 /nfs/dbraw/zinc/49/58/25/979495825.db2.gz IFUVRQNVFDPPBO-DZKIICNBSA-N 1 3 311.426 -0.161 20 0 DBADHO CN(CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC001325820562 979719355 /nfs/dbraw/zinc/71/93/55/979719355.db2.gz ARXZKKLMHWOZMO-AWEZNQCLSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC001325820562 979719360 /nfs/dbraw/zinc/71/93/60/979719360.db2.gz ARXZKKLMHWOZMO-AWEZNQCLSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CCN(CCCNC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001343444547 979948918 /nfs/dbraw/zinc/94/89/18/979948918.db2.gz JVVVCHCLWIVFOW-AWEZNQCLSA-N 1 3 310.442 -0.491 20 0 DBADHO CCCN(C)CC(=O)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001349063699 980407981 /nfs/dbraw/zinc/40/79/81/980407981.db2.gz DMLIKZFFSYDLHA-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCNC3=O)CC2)CC1 ZINC001350613006 980587745 /nfs/dbraw/zinc/58/77/45/980587745.db2.gz OQBGIFSSPPRRCH-CQSZACIVSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCNC3=O)CC2)CC1 ZINC001350612995 980588091 /nfs/dbraw/zinc/58/80/91/980588091.db2.gz OQBGIFSSPPRRCH-AWEZNQCLSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001351540106 980662824 /nfs/dbraw/zinc/66/28/24/980662824.db2.gz VEVKARWXGGSBIH-UHFFFAOYSA-N 1 3 312.374 -0.982 20 0 DBADHO NCc1ncc(C(=O)NCCCCC[NH+]2CCNCC2)cn1 ZINC001354972227 980881001 /nfs/dbraw/zinc/88/10/01/980881001.db2.gz ZJDIHWMEHVLDJS-UHFFFAOYSA-N 1 3 306.414 -0.259 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001357145050 981037728 /nfs/dbraw/zinc/03/77/28/981037728.db2.gz MCXFKCTWMNBJHN-HNNXBMFYSA-N 1 3 324.469 -0.101 20 0 DBADHO COCCN(CCN(C)C)C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001357499121 981064463 /nfs/dbraw/zinc/06/44/63/981064463.db2.gz LZFHVQOTZZWLIB-ZDUSSCGKSA-N 1 3 314.430 -0.780 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001530553105 1014736406 /nfs/dbraw/zinc/73/64/06/1014736406.db2.gz PKQHGPKOIUEURD-CYBMUJFWSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001530553105 1014736412 /nfs/dbraw/zinc/73/64/12/1014736412.db2.gz PKQHGPKOIUEURD-CYBMUJFWSA-N 1 3 310.442 -0.005 20 0 DBADHO C[NH+](C)CCn1nccc1C(=O)N1CC(N[C@H]2CCOC2)C1 ZINC001362991239 982050765 /nfs/dbraw/zinc/05/07/65/982050765.db2.gz MRVWZZUNVTUZLV-LBPRGKRZSA-N 1 3 307.398 -0.352 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001530832155 1014805540 /nfs/dbraw/zinc/80/55/40/1014805540.db2.gz MUQUHQDPKGKPBB-ZFWWWQNUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001530832155 1014805546 /nfs/dbraw/zinc/80/55/46/1014805546.db2.gz MUQUHQDPKGKPBB-ZFWWWQNUSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1)N(C)C ZINC001365871048 983567647 /nfs/dbraw/zinc/56/76/47/983567647.db2.gz DDOUSNPGJRPWES-UONOGXRCSA-N 1 3 301.431 -0.396 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001366123850 983708129 /nfs/dbraw/zinc/70/81/29/983708129.db2.gz CVQQFIAVTXRNJO-UBHSHLNASA-N 1 3 308.426 -0.156 20 0 DBADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366272325 983767637 /nfs/dbraw/zinc/76/76/37/983767637.db2.gz DTCDAQLIEUYZML-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366405365 983826548 /nfs/dbraw/zinc/82/65/48/983826548.db2.gz SZKFFOKFPPVMMQ-UONOGXRCSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)[C@H](C(=O)NCCCN1CCN(CCO)CC1)[NH+](C)C ZINC001490474710 1014985322 /nfs/dbraw/zinc/98/53/22/1014985322.db2.gz HHQJZLXPRZBXKR-OAHLLOKOSA-N 1 3 314.474 -0.311 20 0 DBADHO CC(C)[C@@H](C(=O)NCCCN1CCN(CCO)CC1)[NH+](C)C ZINC001490474707 1014986963 /nfs/dbraw/zinc/98/69/63/1014986963.db2.gz HHQJZLXPRZBXKR-HNNXBMFYSA-N 1 3 314.474 -0.311 20 0 DBADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366855320 984022970 /nfs/dbraw/zinc/02/29/70/984022970.db2.gz TYMFXEHVOAIBSE-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366855320 984022983 /nfs/dbraw/zinc/02/29/83/984022983.db2.gz TYMFXEHVOAIBSE-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)COC)N(C)C ZINC001367219691 984216773 /nfs/dbraw/zinc/21/67/73/984216773.db2.gz HBRQDAJIPUBINU-RDBSUJKOSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001367515312 984331383 /nfs/dbraw/zinc/33/13/83/984331383.db2.gz HPZNWEZKBPXGTB-HUUCEWRRSA-N 1 3 313.442 -0.274 20 0 DBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001367545415 984342533 /nfs/dbraw/zinc/34/25/33/984342533.db2.gz JVGWWUKAXRHNNC-KBPBESRZSA-N 1 3 301.431 -0.274 20 0 DBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001367545415 984342536 /nfs/dbraw/zinc/34/25/36/984342536.db2.gz JVGWWUKAXRHNNC-KBPBESRZSA-N 1 3 301.431 -0.274 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)CC[C@H]2CCC[N@@H+]2C)cn1 ZINC001367595871 984406777 /nfs/dbraw/zinc/40/67/77/984406777.db2.gz VUAMAIVDLOQOSH-HUUCEWRRSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)CC[C@H]2CCC[N@H+]2C)cn1 ZINC001367595871 984406784 /nfs/dbraw/zinc/40/67/84/984406784.db2.gz VUAMAIVDLOQOSH-HUUCEWRRSA-N 1 3 323.441 -0.139 20 0 DBADHO CC[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001367598772 984419742 /nfs/dbraw/zinc/41/97/42/984419742.db2.gz BIILMYCDSGIBOF-NEPJUHHUSA-N 1 3 314.430 -0.809 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001367605694 984434541 /nfs/dbraw/zinc/43/45/41/984434541.db2.gz MIPPQLJEAKCGDJ-VXGBXAGGSA-N 1 3 314.430 -0.938 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001367605690 984436893 /nfs/dbraw/zinc/43/68/93/984436893.db2.gz MIPPQLJEAKCGDJ-NEPJUHHUSA-N 1 3 314.430 -0.938 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001367605692 984437092 /nfs/dbraw/zinc/43/70/92/984437092.db2.gz MIPPQLJEAKCGDJ-RYUDHWBXSA-N 1 3 314.430 -0.938 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001367618408 984475078 /nfs/dbraw/zinc/47/50/78/984475078.db2.gz NVJUXRLEBDFMLU-NWDGAFQWSA-N 1 3 316.446 -0.835 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCC(N)=O)[NH+]1CCCCC1 ZINC001367634369 984496177 /nfs/dbraw/zinc/49/61/77/984496177.db2.gz YJVLHQOVFCVZRX-JSGCOSHPSA-N 1 3 314.430 -0.951 20 0 DBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001367740383 984583458 /nfs/dbraw/zinc/58/34/58/984583458.db2.gz MAJIKSDZLWLNPJ-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)C1(C(=O)NCC2([NH2+]CCN3CCNC3=O)CC2)CCC1 ZINC001368003228 984838047 /nfs/dbraw/zinc/83/80/47/984838047.db2.gz OWQSKADNRPGTIN-UHFFFAOYSA-N 1 3 323.441 -0.266 20 0 DBADHO COC[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001368276772 985021952 /nfs/dbraw/zinc/02/19/52/985021952.db2.gz PAAFJNWRYSDCLW-UKRRQHHQSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001368276772 985021964 /nfs/dbraw/zinc/02/19/64/985021964.db2.gz PAAFJNWRYSDCLW-UKRRQHHQSA-N 1 3 301.431 -0.086 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@@H](C)COC)C1 ZINC001368278130 985026302 /nfs/dbraw/zinc/02/63/02/985026302.db2.gz LDKPBWWZMRWMHK-DZGCQCFKSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+]([C@@H](C)COC)C1 ZINC001368278130 985026309 /nfs/dbraw/zinc/02/63/09/985026309.db2.gz LDKPBWWZMRWMHK-DZGCQCFKSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001368358463 985111971 /nfs/dbraw/zinc/11/19/71/985111971.db2.gz IUNHEEHLSHANAJ-HZSPNIEDSA-N 1 3 308.426 -0.395 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001368358463 985111976 /nfs/dbraw/zinc/11/19/76/985111976.db2.gz IUNHEEHLSHANAJ-HZSPNIEDSA-N 1 3 308.426 -0.395 20 0 DBADHO CCNC(=O)CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001368516606 985242417 /nfs/dbraw/zinc/24/24/17/985242417.db2.gz XGRLAAMOOPPQHV-ZDUSSCGKSA-N 1 3 324.425 -0.965 20 0 DBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001368574214 985284488 /nfs/dbraw/zinc/28/44/88/985284488.db2.gz XVIXPOUAJMTSRK-GMTAPVOTSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[C@H](C(=O)NC1(C[NH2+]C[C@@H](C)O)CCOCC1)N(C)C ZINC001368636090 985322399 /nfs/dbraw/zinc/32/23/99/985322399.db2.gz HIWZASFWLYJYHN-CHWSQXEVSA-N 1 3 301.431 -0.038 20 0 DBADHO CC[C@H](C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1)N(C)C ZINC001368637573 985326779 /nfs/dbraw/zinc/32/67/79/985326779.db2.gz QEMDBEUESSRSDN-LLVKDONJSA-N 1 3 300.403 -0.933 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NC2(CO)CCN(CCCO)CC2)C1 ZINC001368772416 985413341 /nfs/dbraw/zinc/41/33/41/985413341.db2.gz OZUCGOSLBBDRHY-AWEZNQCLSA-N 1 3 313.442 -0.346 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NC2(CO)CCN(CCCO)CC2)C1 ZINC001368772416 985413359 /nfs/dbraw/zinc/41/33/59/985413359.db2.gz OZUCGOSLBBDRHY-AWEZNQCLSA-N 1 3 313.442 -0.346 20 0 DBADHO Cc1nc(CN[C@H](C)[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001369144280 985765990 /nfs/dbraw/zinc/76/59/90/985765990.db2.gz BPOLLIQJRBZOHH-DGCLKSJQSA-N 1 3 324.429 -0.230 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001369367760 985993356 /nfs/dbraw/zinc/99/33/56/985993356.db2.gz VTPJMCGUJGLUAR-KBPBESRZSA-N 1 3 324.425 -0.708 20 0 DBADHO C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001369467722 986140175 /nfs/dbraw/zinc/14/01/75/986140175.db2.gz DOKVAMNHOUCZAK-QWHCGFSZSA-N 1 3 301.431 -0.350 20 0 DBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369473337 986162314 /nfs/dbraw/zinc/16/23/14/986162314.db2.gz QBEYGDMXFZFKCG-QWHCGFSZSA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369473337 986162345 /nfs/dbraw/zinc/16/23/45/986162345.db2.gz QBEYGDMXFZFKCG-QWHCGFSZSA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369476048 986174486 /nfs/dbraw/zinc/17/44/86/986174486.db2.gz PZXUDXDAVPKIIL-STQMWFEESA-N 1 3 314.430 -0.999 20 0 DBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369476048 986174507 /nfs/dbraw/zinc/17/45/07/986174507.db2.gz PZXUDXDAVPKIIL-STQMWFEESA-N 1 3 314.430 -0.999 20 0 DBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369480578 986189999 /nfs/dbraw/zinc/18/99/99/986189999.db2.gz OIRPREGAGKCPMW-ZFWWWQNUSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369480578 986190014 /nfs/dbraw/zinc/19/00/14/986190014.db2.gz OIRPREGAGKCPMW-ZFWWWQNUSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001369484120 986201509 /nfs/dbraw/zinc/20/15/09/986201509.db2.gz OATWDYOPHVKYCB-KBPBESRZSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001369484120 986201531 /nfs/dbraw/zinc/20/15/31/986201531.db2.gz OATWDYOPHVKYCB-KBPBESRZSA-N 1 3 309.414 -0.719 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC ZINC001369492590 986228032 /nfs/dbraw/zinc/22/80/32/986228032.db2.gz WFASFPYMBCDOTK-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@@H](N[C@H]2CCNC2=O)C2CC2)CC1 ZINC001370220131 986654153 /nfs/dbraw/zinc/65/41/53/986654153.db2.gz SABJQBUNXWWKSG-QWHCGFSZSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@@H](NCCS(C)(=O)=O)C1 ZINC001370672016 986868446 /nfs/dbraw/zinc/86/84/46/986868446.db2.gz XUDCGJBSYYUXRN-TXEJJXNPSA-N 1 3 305.444 -0.390 20 0 DBADHO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)N[C@H]1CCNC1=O ZINC001371182544 987262551 /nfs/dbraw/zinc/26/25/51/987262551.db2.gz YQBASLRKWDOCBA-RYUDHWBXSA-N 1 3 322.413 -0.959 20 0 DBADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)N[C@H]1CCNC1=O ZINC001371379459 987330886 /nfs/dbraw/zinc/33/08/86/987330886.db2.gz QMVXHMADFGTXEW-AAEUAGOBSA-N 1 3 322.413 -0.959 20 0 DBADHO C[C@H](N[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)N(C)C ZINC001371534705 987403310 /nfs/dbraw/zinc/40/33/10/987403310.db2.gz XEAKJIORRHMMFH-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCS(C)(=O)=O ZINC001371828820 987512514 /nfs/dbraw/zinc/51/25/14/987512514.db2.gz DXIWLXGCXLNIPZ-STQMWFEESA-N 1 3 319.471 -0.143 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001491326883 1015356565 /nfs/dbraw/zinc/35/65/65/1015356565.db2.gz OSHMSJTWISQLSD-CYBMUJFWSA-N 1 3 319.409 -0.165 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001373144855 988121753 /nfs/dbraw/zinc/12/17/53/988121753.db2.gz BDQDTECDEXIMCX-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO NC(=O)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001374161152 988806084 /nfs/dbraw/zinc/80/60/84/988806084.db2.gz NTLXBTIOMHNRDC-CYBMUJFWSA-N 1 3 308.426 -0.168 20 0 DBADHO COC[C@H](O)CN(C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374552353 988916615 /nfs/dbraw/zinc/91/66/15/988916615.db2.gz JVGWWUKAXRHNNC-UONOGXRCSA-N 1 3 301.431 -0.274 20 0 DBADHO COC[C@H](O)CN(C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374552353 988916625 /nfs/dbraw/zinc/91/66/25/988916625.db2.gz JVGWWUKAXRHNNC-UONOGXRCSA-N 1 3 301.431 -0.274 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cncn2C)CC[N@@H+]1C ZINC001374604239 989010372 /nfs/dbraw/zinc/01/03/72/989010372.db2.gz KNKHLPCNBNMNST-KWCYVHTRSA-N 1 3 309.414 -0.673 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cncn2C)CC[N@H+]1C ZINC001374604239 989010385 /nfs/dbraw/zinc/01/03/85/989010385.db2.gz KNKHLPCNBNMNST-KWCYVHTRSA-N 1 3 309.414 -0.673 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001374653270 989091711 /nfs/dbraw/zinc/09/17/11/989091711.db2.gz WRQWXEOFDMQOPD-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(NC[C@@H](O)CNCc1cncs1)C12CC[NH+](CC1)C2 ZINC001374674070 989122663 /nfs/dbraw/zinc/12/26/63/989122663.db2.gz XNBXZUQCISSDDO-NSHDSACASA-N 1 3 310.423 -0.194 20 0 DBADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001374729309 989174824 /nfs/dbraw/zinc/17/48/24/989174824.db2.gz WECLPURTYXNNRD-JSGCOSHPSA-N 1 3 310.442 -0.149 20 0 DBADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001374729309 989174826 /nfs/dbraw/zinc/17/48/26/989174826.db2.gz WECLPURTYXNNRD-JSGCOSHPSA-N 1 3 310.442 -0.149 20 0 DBADHO CCN(C)C(=O)CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374888589 989287435 /nfs/dbraw/zinc/28/74/35/989287435.db2.gz DLUIVKYXJVOBLM-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001374962988 989335181 /nfs/dbraw/zinc/33/51/81/989335181.db2.gz PARIWDKRGOXFND-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](CNCC(=O)NCc1ccco1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374975689 989341091 /nfs/dbraw/zinc/34/10/91/989341091.db2.gz CYSJWKCVWSPWBG-STQMWFEESA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@@H](CNCC(=O)NCc1ccco1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374975689 989341107 /nfs/dbraw/zinc/34/11/07/989341107.db2.gz CYSJWKCVWSPWBG-STQMWFEESA-N 1 3 322.409 -0.058 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001375252849 989514386 /nfs/dbraw/zinc/51/43/86/989514386.db2.gz QSFSRPOEMDSVQR-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001375420503 989594160 /nfs/dbraw/zinc/59/41/60/989594160.db2.gz KOFGVFXUKGUGPC-KBPBESRZSA-N 1 3 320.437 -0.155 20 0 DBADHO O=C(NCC1(N[C@H]2CCCNC2=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001375420506 989595705 /nfs/dbraw/zinc/59/57/05/989595705.db2.gz KOFGVFXUKGUGPC-KGLIPLIRSA-N 1 3 320.437 -0.155 20 0 DBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001375511071 989640366 /nfs/dbraw/zinc/64/03/66/989640366.db2.gz LRAOAIKTNDHOHK-XDQVBPFNSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH+](CCO)CCO)C2)C1 ZINC001375636331 989703378 /nfs/dbraw/zinc/70/33/78/989703378.db2.gz VHEHMNZNMFEDFU-CABCVRRESA-N 1 3 313.442 -0.394 20 0 DBADHO COC[C@H](O)CN1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001375852099 989818892 /nfs/dbraw/zinc/81/88/92/989818892.db2.gz VQGHHCXSQFNGGL-HIFRSBDPSA-N 1 3 311.426 -0.330 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001375888147 989822890 /nfs/dbraw/zinc/82/28/90/989822890.db2.gz IMVUEWPPVPFYCS-UKRRQHHQSA-N 1 3 310.398 -0.212 20 0 DBADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@H](C)O)CCOCC1 ZINC001375980365 989833638 /nfs/dbraw/zinc/83/36/38/989833638.db2.gz AXCCMSUAXAYJOH-ZDUSSCGKSA-N 1 3 301.431 -0.038 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001376332388 990022527 /nfs/dbraw/zinc/02/25/27/990022527.db2.gz RQBHQGCTJKXDDD-OUAUKWLOSA-N 1 3 313.402 -0.900 20 0 DBADHO CNC(=O)CN[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001491636142 1015534626 /nfs/dbraw/zinc/53/46/26/1015534626.db2.gz VKTKFPBZVXZGOS-LBPRGKRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21)N(C)C ZINC001376652544 990247131 /nfs/dbraw/zinc/24/71/31/990247131.db2.gz RWPXBWOSLOSNMH-SEBNEYGDSA-N 1 3 322.453 -0.006 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21)N(C)C ZINC001376652544 990247135 /nfs/dbraw/zinc/24/71/35/990247135.db2.gz RWPXBWOSLOSNMH-SEBNEYGDSA-N 1 3 322.453 -0.006 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21)N(C)C ZINC001376652712 990247324 /nfs/dbraw/zinc/24/73/24/990247324.db2.gz WLKKGIWYINJQRG-SEBNEYGDSA-N 1 3 322.453 -0.006 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21)N(C)C ZINC001376652712 990247332 /nfs/dbraw/zinc/24/73/32/990247332.db2.gz WLKKGIWYINJQRG-SEBNEYGDSA-N 1 3 322.453 -0.006 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001376845537 990346201 /nfs/dbraw/zinc/34/62/01/990346201.db2.gz QXTYNAXYWGRNEH-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001376845537 990346205 /nfs/dbraw/zinc/34/62/05/990346205.db2.gz QXTYNAXYWGRNEH-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001376848512 990347800 /nfs/dbraw/zinc/34/78/00/990347800.db2.gz KSPZOHLQEJXKSP-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCCN(C)C1=O ZINC001376856354 990353952 /nfs/dbraw/zinc/35/39/52/990353952.db2.gz QWVDNAJDIAEMQX-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001377274591 990513161 /nfs/dbraw/zinc/51/31/61/990513161.db2.gz KYQIXELQRDMTTK-QWHCGFSZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CNC(=O)CC[NH+]1CCCCC1)NCC(=O)NC(N)=O ZINC001491682497 1015570003 /nfs/dbraw/zinc/57/00/03/1015570003.db2.gz LYQAZHKBHJDCPB-NSHDSACASA-N 1 3 313.402 -0.848 20 0 DBADHO COC[C@@H](O)CN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001377526828 990640062 /nfs/dbraw/zinc/64/00/62/990640062.db2.gz VHYXWDZVLMBCSB-VHDGCEQUSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@@H](O)CN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001377526828 990640063 /nfs/dbraw/zinc/64/00/63/990640063.db2.gz VHYXWDZVLMBCSB-VHDGCEQUSA-N 1 3 313.442 -0.086 20 0 DBADHO C[NH+](C)CC1(C(=O)NC2(CO)CCN(CCCO)CC2)CC1 ZINC001377565658 990657072 /nfs/dbraw/zinc/65/70/72/990657072.db2.gz CIAQKLKGYVJMNN-UHFFFAOYSA-N 1 3 313.442 -0.346 20 0 DBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377579876 990663598 /nfs/dbraw/zinc/66/35/98/990663598.db2.gz PCKVDBDWSRRKOX-KBPBESRZSA-N 1 3 308.426 -0.393 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(CC(=O)N3CCC3)C2)C1 ZINC001377718646 990707498 /nfs/dbraw/zinc/70/74/98/990707498.db2.gz JSDWHSDXTLSBIW-LSDHHAIUSA-N 1 3 322.453 -0.001 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCC[C@H]2CCN(CC(=O)N3CCC3)C2)C1 ZINC001377718646 990707503 /nfs/dbraw/zinc/70/75/03/990707503.db2.gz JSDWHSDXTLSBIW-LSDHHAIUSA-N 1 3 322.453 -0.001 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(CC(=O)N3CCC3)C2)C1 ZINC001377718640 990708636 /nfs/dbraw/zinc/70/86/36/990708636.db2.gz JSDWHSDXTLSBIW-GJZGRUSLSA-N 1 3 322.453 -0.001 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCC[C@H]2CCN(CC(=O)N3CCC3)C2)C1 ZINC001377718640 990708641 /nfs/dbraw/zinc/70/86/41/990708641.db2.gz JSDWHSDXTLSBIW-GJZGRUSLSA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001377796420 990737958 /nfs/dbraw/zinc/73/79/58/990737958.db2.gz APPOBRVWQNGTOO-GHMZBOCLSA-N 1 3 310.402 -0.974 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)c1 ZINC001548568248 1015597331 /nfs/dbraw/zinc/59/73/31/1015597331.db2.gz GACNCPPTNWXZMM-JSGCOSHPSA-N 1 3 305.378 -0.188 20 0 DBADHO CC[C@@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)NC(N)=O ZINC001378322908 990931552 /nfs/dbraw/zinc/93/15/52/990931552.db2.gz XHWMULCRMHHVNX-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO O=C(CCN1CCN(c2ccccc2)CC1)N[C@H]1C[NH2+]C[C@H]1O ZINC001548571857 1015600254 /nfs/dbraw/zinc/60/02/54/1015600254.db2.gz CZPVJBCAVRXQHS-JKSUJKDBSA-N 1 3 318.421 -0.352 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001378497341 990995772 /nfs/dbraw/zinc/99/57/72/990995772.db2.gz BTGLKEBIHBMKCT-CHWSQXEVSA-N 1 3 316.421 -0.007 20 0 DBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001548574099 1015602848 /nfs/dbraw/zinc/60/28/48/1015602848.db2.gz ZEJQWFUQWUZFRW-GARJFASQSA-N 1 3 308.348 -0.124 20 0 DBADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001379003908 991271370 /nfs/dbraw/zinc/27/13/70/991271370.db2.gz CERPNFDWGXBFGF-CHWSQXEVSA-N 1 3 319.471 -0.287 20 0 DBADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001379003908 991271380 /nfs/dbraw/zinc/27/13/80/991271380.db2.gz CERPNFDWGXBFGF-CHWSQXEVSA-N 1 3 319.471 -0.287 20 0 DBADHO CN(CC[N@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@H]1CCCN1C ZINC001379033152 991295005 /nfs/dbraw/zinc/29/50/05/991295005.db2.gz OIHWBNJVYJUBHV-LSDHHAIUSA-N 1 3 323.441 -0.272 20 0 DBADHO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@H]1CCCN1C ZINC001379033152 991295020 /nfs/dbraw/zinc/29/50/20/991295020.db2.gz OIHWBNJVYJUBHV-LSDHHAIUSA-N 1 3 323.441 -0.272 20 0 DBADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379061688 991312645 /nfs/dbraw/zinc/31/26/45/991312645.db2.gz VDWLMAMNLORXAD-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379061688 991312655 /nfs/dbraw/zinc/31/26/55/991312655.db2.gz VDWLMAMNLORXAD-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO O=C(NC[C@H](O)CNCc1ccccn1)[C@H]1C[NH+]2CCC1CC2 ZINC001379213881 991439387 /nfs/dbraw/zinc/43/93/87/991439387.db2.gz UXQHALAADZAPRI-CVEARBPZSA-N 1 3 318.421 -0.010 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001379266276 991498862 /nfs/dbraw/zinc/49/88/62/991498862.db2.gz POXLDRDDVQVZIV-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001379266276 991498868 /nfs/dbraw/zinc/49/88/68/991498868.db2.gz POXLDRDDVQVZIV-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001379294247 991524946 /nfs/dbraw/zinc/52/49/46/991524946.db2.gz PVQQSSCAAOLUQQ-OLZOCXBDSA-N 1 3 324.429 -0.828 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001379397555 991627963 /nfs/dbraw/zinc/62/79/63/991627963.db2.gz SMACWNYPVAVZFJ-WDEREUQCSA-N 1 3 315.418 -0.606 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001379418393 991649357 /nfs/dbraw/zinc/64/93/57/991649357.db2.gz NVZVIJUXDMTQPK-AGIUHOORSA-N 1 3 319.471 -0.144 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379508684 991747502 /nfs/dbraw/zinc/74/75/02/991747502.db2.gz IDVGKLBKSGQAOH-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379508684 991747517 /nfs/dbraw/zinc/74/75/17/991747517.db2.gz IDVGKLBKSGQAOH-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)NC(=O)C1(N(C)C)CCC1 ZINC001379517527 991758078 /nfs/dbraw/zinc/75/80/78/991758078.db2.gz UBXVJEMPIUSZQO-UONOGXRCSA-N 1 3 323.441 -0.177 20 0 DBADHO CN(C[C@H](O)CN[C@@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001379819128 991932549 /nfs/dbraw/zinc/93/25/49/991932549.db2.gz DZEDVRCPPQPLAM-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cncn2C)C1 ZINC001379834679 991947933 /nfs/dbraw/zinc/94/79/33/991947933.db2.gz MPADJIOBBVKWKQ-ZFWWWQNUSA-N 1 3 323.441 -0.329 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001379834848 991949660 /nfs/dbraw/zinc/94/96/60/991949660.db2.gz NMYNQGYEAAKLSH-GFCCVEGCSA-N 1 3 316.446 -0.881 20 0 DBADHO C[NH+]1CCC(C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)CC1 ZINC001380140065 992172390 /nfs/dbraw/zinc/17/23/90/992172390.db2.gz UFTNNGYDUISBLO-ZDUSSCGKSA-N 1 3 308.426 -0.155 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C1CC(NCCS(C)(=O)=O)C1 ZINC001380177008 992188941 /nfs/dbraw/zinc/18/89/41/992188941.db2.gz PFCBAXDARGRXLH-UHFFFAOYSA-N 1 3 319.471 -0.048 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C1CC(NCCS(C)(=O)=O)C1 ZINC001380177008 992188953 /nfs/dbraw/zinc/18/89/53/992188953.db2.gz PFCBAXDARGRXLH-UHFFFAOYSA-N 1 3 319.471 -0.048 20 0 DBADHO NC(=O)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001380498700 992333416 /nfs/dbraw/zinc/33/34/16/992333416.db2.gz BSDVJSRSJKXLNY-CYBMUJFWSA-N 1 3 324.425 -0.932 20 0 DBADHO Cn1cc(CN2CC[C@](O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001380547814 992382442 /nfs/dbraw/zinc/38/24/42/992382442.db2.gz BHLIOFOKOFSHBQ-ZBFHGGJFSA-N 1 3 321.425 -0.433 20 0 DBADHO Cn1cc(CN2CC[C@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001380547814 992382452 /nfs/dbraw/zinc/38/24/52/992382452.db2.gz BHLIOFOKOFSHBQ-ZBFHGGJFSA-N 1 3 321.425 -0.433 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(CCn3cccn3)C2)C1 ZINC001380574096 992405266 /nfs/dbraw/zinc/40/52/66/992405266.db2.gz PBJMWJUKYUAMHZ-HOCLYGCPSA-N 1 3 321.425 -0.612 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@]2(O)CCN(CCn3cccn3)C2)C1 ZINC001380574096 992405271 /nfs/dbraw/zinc/40/52/71/992405271.db2.gz PBJMWJUKYUAMHZ-HOCLYGCPSA-N 1 3 321.425 -0.612 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC001549134122 1015707105 /nfs/dbraw/zinc/70/71/05/1015707105.db2.gz NNOQYKVDAAIUKP-CPUCHLNUSA-N 1 3 322.453 -0.016 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001380779029 992537315 /nfs/dbraw/zinc/53/73/15/992537315.db2.gz GPIZJWNPPIIMOD-VXGBXAGGSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001381049819 992643904 /nfs/dbraw/zinc/64/39/04/992643904.db2.gz YTGNXZWSIXNFDQ-HIFRSBDPSA-N 1 3 313.442 -0.205 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N1CCCC1 ZINC001381110790 992669097 /nfs/dbraw/zinc/66/90/97/992669097.db2.gz XYVUIIFATSWFAC-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001381156339 992690164 /nfs/dbraw/zinc/69/01/64/992690164.db2.gz NOAZKFOHSHXXRE-KGLIPLIRSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001381259863 992732676 /nfs/dbraw/zinc/73/26/76/992732676.db2.gz RPFSKOFDODCKNT-CYBMUJFWSA-N 1 3 311.426 -0.594 20 0 DBADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001381441623 992802419 /nfs/dbraw/zinc/80/24/19/992802419.db2.gz VHGVHXRBAYYHOG-VXGBXAGGSA-N 1 3 314.430 -0.674 20 0 DBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001382030529 992963091 /nfs/dbraw/zinc/96/30/91/992963091.db2.gz IONUYQNXTCKLBU-ZIAGYGMSSA-N 1 3 320.437 -0.203 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001382314457 993144517 /nfs/dbraw/zinc/14/45/17/993144517.db2.gz KWMHPZQFBXNLOP-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001382416671 993229151 /nfs/dbraw/zinc/22/91/51/993229151.db2.gz UWEKECDTMPPTSY-ZDUSSCGKSA-N 1 3 324.429 -0.636 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cnn(C)c2)C1 ZINC001382423022 993236337 /nfs/dbraw/zinc/23/63/37/993236337.db2.gz INHIBJNKUSHRFN-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnn(C)c2)C1 ZINC001382423020 993237005 /nfs/dbraw/zinc/23/70/05/993237005.db2.gz INHIBJNKUSHRFN-HIFRSBDPSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382438092 993254684 /nfs/dbraw/zinc/25/46/84/993254684.db2.gz DHFHQKAGIXULHX-OCCSQVGLSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382438092 993254692 /nfs/dbraw/zinc/25/46/92/993254692.db2.gz DHFHQKAGIXULHX-OCCSQVGLSA-N 1 3 309.414 -0.719 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO)C1 ZINC001382460698 993288826 /nfs/dbraw/zinc/28/88/26/993288826.db2.gz BFTHIWBKRLYBEF-KGLIPLIRSA-N 1 3 301.431 -0.538 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)C1 ZINC001382460698 993288836 /nfs/dbraw/zinc/28/88/36/993288836.db2.gz BFTHIWBKRLYBEF-KGLIPLIRSA-N 1 3 301.431 -0.538 20 0 DBADHO COCCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C[C@H](C)O ZINC001382537159 993338421 /nfs/dbraw/zinc/33/84/21/993338421.db2.gz ODKUQNXUXHYUBN-ZFWWWQNUSA-N 1 3 313.442 -0.226 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@@H]2[NH3+])cn1 ZINC001550067143 1015782802 /nfs/dbraw/zinc/78/28/02/1015782802.db2.gz LNNJQWMPTMXPHN-QPSCCSFWSA-N 1 3 319.409 -0.464 20 0 DBADHO O=C(C[C@@H]1CCNC[C@@H]1F)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550086499 1015787008 /nfs/dbraw/zinc/78/70/08/1015787008.db2.gz AFTIRBXIRICLQH-DRZSPHRISA-N 1 3 310.377 -0.234 20 0 DBADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@@H]2[NH3+])c1 ZINC001550112881 1015793327 /nfs/dbraw/zinc/79/33/27/1015793327.db2.gz LRYIZLLZVFSTIH-CXTNEJHOSA-N 1 3 319.409 -0.464 20 0 DBADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001383313434 993613652 /nfs/dbraw/zinc/61/36/52/993613652.db2.gz NBNAXZGBABLVAI-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001383313433 993614302 /nfs/dbraw/zinc/61/43/02/993614302.db2.gz NBNAXZGBABLVAI-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001550115009 1015794421 /nfs/dbraw/zinc/79/44/21/1015794421.db2.gz VLMPAQJWIOWPFG-GOEBONIOSA-N 1 3 318.421 -0.083 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001550203989 1015800486 /nfs/dbraw/zinc/80/04/86/1015800486.db2.gz RSZGNXLYUXLJCT-STQMWFEESA-N 1 3 324.425 -0.958 20 0 DBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC001550275297 1015801374 /nfs/dbraw/zinc/80/13/74/1015801374.db2.gz CZSANEXBBVMDDE-YNEHKIRRSA-N 1 3 323.441 -0.282 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)NC[C@H]1Cc2ccccc2CN1 ZINC001550290655 1015801868 /nfs/dbraw/zinc/80/18/68/1015801868.db2.gz PHTMAQLMBFQEPD-MRXNPFEDSA-N 1 3 317.437 -0.095 20 0 DBADHO CN(CCNC(=O)C1CC[NH+](C)CC1)C[C@H](O)Cn1cccn1 ZINC001492402786 1015798972 /nfs/dbraw/zinc/79/89/72/1015798972.db2.gz UVBDLDDPAXDLLE-HNNXBMFYSA-N 1 3 323.441 -0.366 20 0 DBADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550194708 1015799400 /nfs/dbraw/zinc/79/94/00/1015799400.db2.gz SZCIKOOSYUUJMV-NFAWXSAZSA-N 1 3 308.426 -0.123 20 0 DBADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@H]21 ZINC001550732044 1015811798 /nfs/dbraw/zinc/81/17/98/1015811798.db2.gz DUANXRRNEOBTKR-XJFOESAGSA-N 1 3 312.414 -0.929 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755567 1015813471 /nfs/dbraw/zinc/81/34/71/1015813471.db2.gz JATOZAQQNKUKMZ-OLZOCXBDSA-N 1 3 312.414 -0.567 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)NC[C@]12C[C@@]1(C(F)(F)F)C[NH2+]C2 ZINC001551535894 1015828968 /nfs/dbraw/zinc/82/89/68/1015828968.db2.gz BATHQZABYWMPLV-MVWJERBFSA-N 1 3 322.331 -0.184 20 0 DBADHO CN(C[C@@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)CC[NH+](C)C ZINC001384421262 994130951 /nfs/dbraw/zinc/13/09/51/994130951.db2.gz GNHXUNUUAIDPGR-ZDUSSCGKSA-N 1 3 307.398 -0.037 20 0 DBADHO CN(C)C[C@@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CCO1 ZINC001552087026 1015838127 /nfs/dbraw/zinc/83/81/27/1015838127.db2.gz JODLZDOMXXVWSZ-VXGBXAGGSA-N 1 3 308.386 -0.785 20 0 DBADHO CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCNC(C)(C)C2)nn1 ZINC001552087832 1015839401 /nfs/dbraw/zinc/83/94/01/1015839401.db2.gz OMPJGDOUSTWBQL-YPMHNXCESA-N 1 3 322.413 -0.810 20 0 DBADHO CO[C@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCNCC2(C)C)nn1 ZINC001552160798 1015842902 /nfs/dbraw/zinc/84/29/02/1015842902.db2.gz JJNIVKCRLAVHPE-YPMHNXCESA-N 1 3 322.413 -0.810 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@@H]2C2CC[NH2+]CC2)n1 ZINC001552217030 1015849857 /nfs/dbraw/zinc/84/98/57/1015849857.db2.gz ZHSWSPZSXVOMND-VXGBXAGGSA-N 1 3 305.382 -0.107 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@]12C[NH2+]C[C@H]1COC2 ZINC001552217744 1015850014 /nfs/dbraw/zinc/85/00/14/1015850014.db2.gz IFTZGTZCYFSQLG-JGGQBBKZSA-N 1 3 309.410 -0.408 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001401248199 994495780 /nfs/dbraw/zinc/49/57/80/994495780.db2.gz SBXFVOITEFJIBP-WDEREUQCSA-N 1 3 315.418 -0.781 20 0 DBADHO C[NH+]1CCN([C@H]2CCN(C(=O)NCC(F)(F)CN)C2)CC1 ZINC001552954990 1015871771 /nfs/dbraw/zinc/87/17/71/1015871771.db2.gz PRBHHASAACEOLW-NSHDSACASA-N 1 3 305.373 -0.388 20 0 DBADHO COc1cccc([C@H]2CNCCN2C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)c1 ZINC001552959820 1015871970 /nfs/dbraw/zinc/87/19/70/1015871970.db2.gz DHKGBFFHDXTZPL-QLFBSQMISA-N 1 3 319.409 -0.268 20 0 DBADHO COc1cccc([C@H]2CNCCN2C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)c1 ZINC001552959820 1015871972 /nfs/dbraw/zinc/87/19/72/1015871972.db2.gz DHKGBFFHDXTZPL-QLFBSQMISA-N 1 3 319.409 -0.268 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385654657 994581791 /nfs/dbraw/zinc/58/17/91/994581791.db2.gz IIZDXVLFZDQURH-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385654657 994581797 /nfs/dbraw/zinc/58/17/97/994581797.db2.gz IIZDXVLFZDQURH-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2C[C@H](N(C)C)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001553023093 1015874380 /nfs/dbraw/zinc/87/43/80/1015874380.db2.gz WTRGKXXMZUMPOC-MQYQWHSLSA-N 1 3 321.429 -0.133 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001493250877 1015878308 /nfs/dbraw/zinc/87/83/08/1015878308.db2.gz AHFDNFLBOQPLAW-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001493250877 1015878310 /nfs/dbraw/zinc/87/83/10/1015878310.db2.gz AHFDNFLBOQPLAW-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2C[C@H](N(C)C)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001553023093 1015874385 /nfs/dbraw/zinc/87/43/85/1015874385.db2.gz WTRGKXXMZUMPOC-MQYQWHSLSA-N 1 3 321.429 -0.133 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001553023094 1015874544 /nfs/dbraw/zinc/87/45/44/1015874544.db2.gz WTRGKXXMZUMPOC-SYQHCUMBSA-N 1 3 321.429 -0.133 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)CC[N@H+]1C ZINC001553023094 1015874545 /nfs/dbraw/zinc/87/45/45/1015874545.db2.gz WTRGKXXMZUMPOC-SYQHCUMBSA-N 1 3 321.429 -0.133 20 0 DBADHO CCn1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001401543230 994629018 /nfs/dbraw/zinc/62/90/18/994629018.db2.gz QJZYFGACFFUUGL-HUUCEWRRSA-N 1 3 323.441 -0.046 20 0 DBADHO CCn1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001401543230 994629024 /nfs/dbraw/zinc/62/90/24/994629024.db2.gz QJZYFGACFFUUGL-HUUCEWRRSA-N 1 3 323.441 -0.046 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001401560686 994652320 /nfs/dbraw/zinc/65/23/20/994652320.db2.gz DUGYABJMONBSRH-CYBMUJFWSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001401590751 994687152 /nfs/dbraw/zinc/68/71/52/994687152.db2.gz WUXOPEWVZJSLRQ-TZMCWYRMSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001401590751 994687159 /nfs/dbraw/zinc/68/71/59/994687159.db2.gz WUXOPEWVZJSLRQ-TZMCWYRMSA-N 1 3 309.414 -0.671 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401591054 994687378 /nfs/dbraw/zinc/68/73/78/994687378.db2.gz UCEONXAASGBHND-ZDUSSCGKSA-N 1 3 314.430 -0.984 20 0 DBADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401606602 994696561 /nfs/dbraw/zinc/69/65/61/994696561.db2.gz FIOZJURXAWEZOZ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401606602 994696564 /nfs/dbraw/zinc/69/65/64/994696564.db2.gz FIOZJURXAWEZOZ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001386064854 994733187 /nfs/dbraw/zinc/73/31/87/994733187.db2.gz LGOHTLAGQXDBPU-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001386064854 994733199 /nfs/dbraw/zinc/73/31/99/994733199.db2.gz LGOHTLAGQXDBPU-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CCN(C(=O)c2cnc([C@@H]3CCCN3)nc2)[C@@H](C[NH3+])C1 ZINC001553361048 1015885864 /nfs/dbraw/zinc/88/58/64/1015885864.db2.gz YDEIGUGFTNYIRY-STQMWFEESA-N 1 3 304.398 -0.384 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC001553423810 1015891839 /nfs/dbraw/zinc/89/18/39/1015891839.db2.gz OAEOXGQNEAXNSU-KBXIAJHMSA-N 1 3 309.410 -0.125 20 0 DBADHO CN(C)C(=O)CNC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001401847098 994826758 /nfs/dbraw/zinc/82/67/58/994826758.db2.gz HGXUFOOYQBNXPS-CYBMUJFWSA-N 1 3 310.442 -0.099 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001401864124 994833125 /nfs/dbraw/zinc/83/31/25/994833125.db2.gz LFQXWLMDQJFSLS-JSGCOSHPSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001401864124 994833126 /nfs/dbraw/zinc/83/31/26/994833126.db2.gz LFQXWLMDQJFSLS-JSGCOSHPSA-N 1 3 308.426 -0.299 20 0 DBADHO CCN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401863927 994833140 /nfs/dbraw/zinc/83/31/40/994833140.db2.gz LAOGMIKMILSNBW-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401863927 994833141 /nfs/dbraw/zinc/83/31/41/994833141.db2.gz LAOGMIKMILSNBW-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO O=C(N[C@H](CN[C@@H]1CCNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001401865781 994833843 /nfs/dbraw/zinc/83/38/43/994833843.db2.gz LWGHCKKQBSPHCG-CHWSQXEVSA-N 1 3 306.410 -0.545 20 0 DBADHO Cn1nncc1CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401869563 994835077 /nfs/dbraw/zinc/83/50/77/994835077.db2.gz OJZPYEZAFOXSHZ-JSGCOSHPSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401869563 994835081 /nfs/dbraw/zinc/83/50/81/994835081.db2.gz OJZPYEZAFOXSHZ-JSGCOSHPSA-N 1 3 306.414 -0.249 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]2CNCC(N)=O)cn1 ZINC001402063212 994898997 /nfs/dbraw/zinc/89/89/97/994898997.db2.gz UVRPHGHJQGZOFW-ZDUSSCGKSA-N 1 3 322.413 -0.876 20 0 DBADHO O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553548610 1015900076 /nfs/dbraw/zinc/90/00/76/1015900076.db2.gz ZQMUWOSHJDQMQE-UMSGYPCISA-N 1 3 300.378 -0.463 20 0 DBADHO CCNC(=O)CN[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001402293975 995050459 /nfs/dbraw/zinc/05/04/59/995050459.db2.gz DOAWYTXPIHCFBA-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO CC(C)NC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001402377078 995116526 /nfs/dbraw/zinc/11/65/26/995116526.db2.gz OPKNUXFMPJUHFB-ZIAGYGMSSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001402377078 995116531 /nfs/dbraw/zinc/11/65/31/995116531.db2.gz OPKNUXFMPJUHFB-ZIAGYGMSSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)[C@H](C(=O)NCCN1CCC([NH2+]CCO)CC1)N(C)C ZINC001402435969 995134965 /nfs/dbraw/zinc/13/49/65/995134965.db2.gz JLIVOYGSDJWUNL-OAHLLOKOSA-N 1 3 314.474 -0.265 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001402438789 995137559 /nfs/dbraw/zinc/13/75/59/995137559.db2.gz PVBWGZWPCYPXJN-HZSPNIEDSA-N 1 3 322.453 -0.018 20 0 DBADHO C[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001402471232 995156561 /nfs/dbraw/zinc/15/65/61/995156561.db2.gz BSMYQAYNEIBXAA-XQQFMLRXSA-N 1 3 314.430 -0.999 20 0 DBADHO C[C@@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001402471232 995156565 /nfs/dbraw/zinc/15/65/65/995156565.db2.gz BSMYQAYNEIBXAA-XQQFMLRXSA-N 1 3 314.430 -0.999 20 0 DBADHO CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)CN1CCCC1 ZINC001386976400 995199813 /nfs/dbraw/zinc/19/98/13/995199813.db2.gz KYEHDGIIJBZDRX-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001402598050 995205616 /nfs/dbraw/zinc/20/56/16/995205616.db2.gz LRESFVUHQHXPFF-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001402604229 995211264 /nfs/dbraw/zinc/21/12/64/995211264.db2.gz UMPFXKFNGDSKOP-STQMWFEESA-N 1 3 312.414 -0.839 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001402604229 995211271 /nfs/dbraw/zinc/21/12/71/995211271.db2.gz UMPFXKFNGDSKOP-STQMWFEESA-N 1 3 312.414 -0.839 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402680289 995244228 /nfs/dbraw/zinc/24/42/28/995244228.db2.gz HLAAPJAHZMDDDH-GFCCVEGCSA-N 1 3 307.398 -0.084 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC(O)(C[NH2+]C[C@H]2CCOC2)CC1 ZINC001402807333 995293528 /nfs/dbraw/zinc/29/35/28/995293528.db2.gz WTMNPUWRRREWAZ-CYBMUJFWSA-N 1 3 322.409 -0.068 20 0 DBADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCCNC1=O ZINC001402918349 995340012 /nfs/dbraw/zinc/34/00/12/995340012.db2.gz BIYIALCUISYMRD-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)N[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001402982549 995364631 /nfs/dbraw/zinc/36/46/31/995364631.db2.gz OXJRSBHIOFTXSD-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001402982696 995364681 /nfs/dbraw/zinc/36/46/81/995364681.db2.gz OXJRSBHIOFTXSD-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)NC(N)=O ZINC001403015620 995379687 /nfs/dbraw/zinc/37/96/87/995379687.db2.gz WQCTVVSTAUIKEQ-SNVBAGLBSA-N 1 3 315.418 -0.747 20 0 DBADHO C[C@H](NCCS(C)(=O)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001403022350 995380990 /nfs/dbraw/zinc/38/09/90/995380990.db2.gz HNYLRHQFJWBIMW-RYUDHWBXSA-N 1 3 317.455 -0.390 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001403139097 995422238 /nfs/dbraw/zinc/42/22/38/995422238.db2.gz NOCKJDJAFLPXAO-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001403139097 995422247 /nfs/dbraw/zinc/42/22/47/995422247.db2.gz NOCKJDJAFLPXAO-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC001387780887 995480482 /nfs/dbraw/zinc/48/04/82/995480482.db2.gz QDRLVHARIQHRSD-CABCVRRESA-N 1 3 322.453 -0.005 20 0 DBADHO CCNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001403432921 995523767 /nfs/dbraw/zinc/52/37/67/995523767.db2.gz UEDNGCFHTVXCJS-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001403508033 995546643 /nfs/dbraw/zinc/54/66/43/995546643.db2.gz HWHGKKTWKQSTAL-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CO[C@@H](C)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001403704660 995659216 /nfs/dbraw/zinc/65/92/16/995659216.db2.gz CIYQQKCHQQLDBH-QWHCGFSZSA-N 1 3 301.431 -0.038 20 0 DBADHO CO[C@H](C)C[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001403704651 995659537 /nfs/dbraw/zinc/65/95/37/995659537.db2.gz CIYQQKCHQQLDBH-OLZOCXBDSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@@H]1C[C@H](NCc2nc(=O)n(C)[n-]2)CN1C(=O)CCC[NH+](C)C ZINC001403754413 995691194 /nfs/dbraw/zinc/69/11/94/995691194.db2.gz VUIPVACRBMDSNS-NEPJUHHUSA-N 1 3 324.429 -0.471 20 0 DBADHO C[C@@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)CCC[NH+](C)C ZINC001403754413 995691198 /nfs/dbraw/zinc/69/11/98/995691198.db2.gz VUIPVACRBMDSNS-NEPJUHHUSA-N 1 3 324.429 -0.471 20 0 DBADHO C[C@H]1C[C@H](NCc2nc(=O)n(C)[n-]2)CN1C(=O)CCC[NH+](C)C ZINC001403754459 995691408 /nfs/dbraw/zinc/69/14/08/995691408.db2.gz VUIPVACRBMDSNS-RYUDHWBXSA-N 1 3 324.429 -0.471 20 0 DBADHO C[C@H]1C[C@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)CCC[NH+](C)C ZINC001403754459 995691410 /nfs/dbraw/zinc/69/14/10/995691410.db2.gz VUIPVACRBMDSNS-RYUDHWBXSA-N 1 3 324.429 -0.471 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C)[NH+](C)C ZINC001403849880 995730597 /nfs/dbraw/zinc/73/05/97/995730597.db2.gz NHUFDARHXUDOBU-JSGCOSHPSA-N 1 3 316.446 -0.930 20 0 DBADHO C[C@@H](NC[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001403854136 995733249 /nfs/dbraw/zinc/73/32/49/995733249.db2.gz AVKWNCGXYGXPLJ-NEPJUHHUSA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001388705157 995739250 /nfs/dbraw/zinc/73/92/50/995739250.db2.gz YIBQFOHPJQWVDT-PHIMTYICSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001404351350 995862103 /nfs/dbraw/zinc/86/21/03/995862103.db2.gz MKZBBZHKWLONHM-NWDGAFQWSA-N 1 3 307.398 -0.133 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001404351350 995862104 /nfs/dbraw/zinc/86/21/04/995862104.db2.gz MKZBBZHKWLONHM-NWDGAFQWSA-N 1 3 307.398 -0.133 20 0 DBADHO CN1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001389788040 996099457 /nfs/dbraw/zinc/09/94/57/996099457.db2.gz AFZBZOQRGCCADF-UONOGXRCSA-N 1 3 308.426 -0.060 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001389859492 996122644 /nfs/dbraw/zinc/12/26/44/996122644.db2.gz SYOHTKUNLNEVTF-ZDUSSCGKSA-N 1 3 319.409 -0.213 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001389859492 996122649 /nfs/dbraw/zinc/12/26/49/996122649.db2.gz SYOHTKUNLNEVTF-ZDUSSCGKSA-N 1 3 319.409 -0.213 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001389909529 996135514 /nfs/dbraw/zinc/13/55/14/996135514.db2.gz CTZZKCADPPARAH-IJLUTSLNSA-N 1 3 303.428 -0.781 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001389909529 996135517 /nfs/dbraw/zinc/13/55/17/996135517.db2.gz CTZZKCADPPARAH-IJLUTSLNSA-N 1 3 303.428 -0.781 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001390009383 996163406 /nfs/dbraw/zinc/16/34/06/996163406.db2.gz CTZZKCADPPARAH-SDDRHHMPSA-N 1 3 303.428 -0.781 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001390009383 996163409 /nfs/dbraw/zinc/16/34/09/996163409.db2.gz CTZZKCADPPARAH-SDDRHHMPSA-N 1 3 303.428 -0.781 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCCC1 ZINC001390501380 996280507 /nfs/dbraw/zinc/28/05/07/996280507.db2.gz BDPFXFOBOUBQCA-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC(=O)NC ZINC001390502651 996282691 /nfs/dbraw/zinc/28/26/91/996282691.db2.gz DFLVOIDWLHPVQW-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)N[C@@H](C)C(=O)NC(=O)NC ZINC001390502651 996282696 /nfs/dbraw/zinc/28/26/96/996282696.db2.gz DFLVOIDWLHPVQW-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)NC1CC1 ZINC001390512240 996284214 /nfs/dbraw/zinc/28/42/14/996284214.db2.gz RRJUCTFFAIGXJF-VXGBXAGGSA-N 1 3 308.426 -0.156 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001390583603 996311246 /nfs/dbraw/zinc/31/12/46/996311246.db2.gz IUWGFLAQODODBQ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001391224118 996494247 /nfs/dbraw/zinc/49/42/47/996494247.db2.gz DFTULDGYWWZHQC-NSHDSACASA-N 1 3 315.418 -0.781 20 0 DBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001391232975 996497284 /nfs/dbraw/zinc/49/72/84/996497284.db2.gz YSWYMDTUUFTYPE-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO CNC(=O)[C@H](C)N(C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001391349918 996521556 /nfs/dbraw/zinc/52/15/56/996521556.db2.gz CGNJWAJFYJUKNO-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)N2CCC(CN(C)CC(N)=O)CC2)C1 ZINC001391366727 996526168 /nfs/dbraw/zinc/52/61/68/996526168.db2.gz HGOHNDHRILCKOW-ZDUSSCGKSA-N 1 3 310.442 -0.016 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)N2CCC(CN(C)CC(N)=O)CC2)C1 ZINC001391366727 996526171 /nfs/dbraw/zinc/52/61/71/996526171.db2.gz HGOHNDHRILCKOW-ZDUSSCGKSA-N 1 3 310.442 -0.016 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001391483795 996554010 /nfs/dbraw/zinc/55/40/10/996554010.db2.gz WPZKGKQHGZVFBD-LSDHHAIUSA-N 1 3 311.426 -0.617 20 0 DBADHO C[C@H](C[NH2+]CCN(C)C(=O)Cc1c[nH]cn1)CS(C)(=O)=O ZINC001493709109 1016044328 /nfs/dbraw/zinc/04/43/28/1016044328.db2.gz NGODVDOKFHLGCY-LLVKDONJSA-N 1 3 316.427 -0.319 20 0 DBADHO CNC(=O)CNC[C@H](CC(C)C)NC(=O)C12CC[NH+](CC1)C2 ZINC001392172793 996747816 /nfs/dbraw/zinc/74/78/16/996747816.db2.gz XWVGTRJKVDWELD-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO Cc1cc(CNC[C@@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)nn1C ZINC001392380329 996852012 /nfs/dbraw/zinc/85/20/12/996852012.db2.gz AETJQQHFHZUSJD-HUUCEWRRSA-N 1 3 323.441 -0.220 20 0 DBADHO Cc1cc(CNC[C@@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1C ZINC001392380329 996852014 /nfs/dbraw/zinc/85/20/14/996852014.db2.gz AETJQQHFHZUSJD-HUUCEWRRSA-N 1 3 323.441 -0.220 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001392432775 996920855 /nfs/dbraw/zinc/92/08/55/996920855.db2.gz WUMQCCGARFJTSC-UONOGXRCSA-N 1 3 307.398 -0.697 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001392432775 996920867 /nfs/dbraw/zinc/92/08/67/996920867.db2.gz WUMQCCGARFJTSC-UONOGXRCSA-N 1 3 307.398 -0.697 20 0 DBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001392504974 996981521 /nfs/dbraw/zinc/98/15/21/996981521.db2.gz IFRKYUVKWVBRJZ-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001392776044 997199769 /nfs/dbraw/zinc/19/97/69/997199769.db2.gz WZXUQQVOFBUZCT-CABCVRRESA-N 1 3 322.453 -0.099 20 0 DBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001405336343 997203256 /nfs/dbraw/zinc/20/32/56/997203256.db2.gz CLWAIYNROJMTKK-VXGBXAGGSA-N 1 3 305.444 -0.533 20 0 DBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001405336343 997203268 /nfs/dbraw/zinc/20/32/68/997203268.db2.gz CLWAIYNROJMTKK-VXGBXAGGSA-N 1 3 305.444 -0.533 20 0 DBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001405371868 997235516 /nfs/dbraw/zinc/23/55/16/997235516.db2.gz OXEXYEJIXJNHIX-JTQLQIEISA-N 1 3 301.391 -0.994 20 0 DBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001405821085 997436945 /nfs/dbraw/zinc/43/69/45/997436945.db2.gz YGRHPTXGXDJWKQ-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO COCCN1CC[C@@](O)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001393286695 997541550 /nfs/dbraw/zinc/54/15/50/997541550.db2.gz YSMBCCRPPXUIBF-MRXNPFEDSA-N 1 3 313.442 -0.082 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001393331178 997592299 /nfs/dbraw/zinc/59/22/99/997592299.db2.gz UPJVNSWXIAXAFM-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393331178 997592309 /nfs/dbraw/zinc/59/23/09/997592309.db2.gz UPJVNSWXIAXAFM-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO Cc1nc(CNC[C@@H]2CN(C(=O)CCC[NH+](C)C)CCO2)n[nH]1 ZINC001393589128 997754021 /nfs/dbraw/zinc/75/40/21/997754021.db2.gz LUJGKFRLMSVZTH-CYBMUJFWSA-N 1 3 324.429 -0.228 20 0 DBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCC(=O)N1CCC1 ZINC001393745200 997826865 /nfs/dbraw/zinc/82/68/65/997826865.db2.gz GJQUOCYTLTWROD-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]C[C@@H](C)O)CC1)N(C)C ZINC001393779941 997842765 /nfs/dbraw/zinc/84/27/65/997842765.db2.gz HATWBPIYLBNBRQ-CHWSQXEVSA-N 1 3 301.431 -0.350 20 0 DBADHO C[NH+](C)CCC(=O)NC1(CO)CCN(CCn2cccn2)CC1 ZINC001393843247 997866243 /nfs/dbraw/zinc/86/62/43/997866243.db2.gz ARCWYJZKPTXNIM-UHFFFAOYSA-N 1 3 323.441 -0.222 20 0 DBADHO C[C@@H](NCc1cnnn1C)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001393992080 997920769 /nfs/dbraw/zinc/92/07/69/997920769.db2.gz ILOPRAPCKCZMRA-VXGBXAGGSA-N 1 3 306.414 -0.106 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2CNCC(N)=O)n1 ZINC001407115360 998022426 /nfs/dbraw/zinc/02/24/26/998022426.db2.gz LFLBDFHMLKTQOI-LBPRGKRZSA-N 1 3 322.413 -0.876 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407261330 998085309 /nfs/dbraw/zinc/08/53/09/998085309.db2.gz WRDLQLINWSKPAX-ABAIWWIYSA-N 1 3 307.398 -0.085 20 0 DBADHO CNC(=O)CNC1(CNC(=O)CCC[NH+](C)C)CCOCC1 ZINC001407302397 998096865 /nfs/dbraw/zinc/09/68/65/998096865.db2.gz ZEKPORKCHHDCAL-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO CN(C(=O)C12CCC[NH+]1CCC2)[C@@H](CNCC(N)=O)C1CC1 ZINC001394434975 998140190 /nfs/dbraw/zinc/14/01/90/998140190.db2.gz PZSGURVDELKBIT-ZDUSSCGKSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001407374581 998144744 /nfs/dbraw/zinc/14/47/44/998144744.db2.gz CGIQKPLZFSIBSB-CJNGLKHVSA-N 1 3 313.442 -0.205 20 0 DBADHO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)C(C)(C)N2CCCC2)C1 ZINC001407374581 998144749 /nfs/dbraw/zinc/14/47/49/998144749.db2.gz CGIQKPLZFSIBSB-CJNGLKHVSA-N 1 3 313.442 -0.205 20 0 DBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H](C)C(=O)NC(N)=O ZINC001394518088 998176603 /nfs/dbraw/zinc/17/66/03/998176603.db2.gz BNOLJYFWSPIALH-QWRGUYRKSA-N 1 3 315.418 -0.652 20 0 DBADHO CO[C@@H](C)CN1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001407669416 998317923 /nfs/dbraw/zinc/31/79/23/998317923.db2.gz WBZOUACWMLDDLU-DZGCQCFKSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCc2ncnn21 ZINC001394648884 998344997 /nfs/dbraw/zinc/34/49/97/998344997.db2.gz SOAHIXBCJUABIT-STQMWFEESA-N 1 3 324.429 -0.828 20 0 DBADHO C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001394667685 998372316 /nfs/dbraw/zinc/37/23/16/998372316.db2.gz HSLGVKDGBLNEDS-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001394667665 998372926 /nfs/dbraw/zinc/37/29/26/998372926.db2.gz HSLGVKDGBLNEDS-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1)N1CCC1 ZINC001407830176 998389741 /nfs/dbraw/zinc/38/97/41/998389741.db2.gz MQMUUNMRJBFZER-UHFFFAOYSA-N 1 3 320.437 -0.057 20 0 DBADHO CNC(=O)CN[C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001394711560 998399242 /nfs/dbraw/zinc/39/92/42/998399242.db2.gz GANMZODJUNRNAG-OLZOCXBDSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CN[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001394711560 998399252 /nfs/dbraw/zinc/39/92/52/998399252.db2.gz GANMZODJUNRNAG-OLZOCXBDSA-N 1 3 310.442 -0.099 20 0 DBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001394760104 998459222 /nfs/dbraw/zinc/45/92/22/998459222.db2.gz VPVPDTULBHPHBP-QWHCGFSZSA-N 1 3 324.429 -0.636 20 0 DBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001394760104 998459229 /nfs/dbraw/zinc/45/92/29/998459229.db2.gz VPVPDTULBHPHBP-QWHCGFSZSA-N 1 3 324.429 -0.636 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1)N(C)C ZINC001397206797 998990776 /nfs/dbraw/zinc/99/07/76/998990776.db2.gz GBWSBNXOQKRCDQ-GJZGRUSLSA-N 1 3 315.458 -0.150 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001397670900 999108187 /nfs/dbraw/zinc/10/81/87/999108187.db2.gz YJZJDRSMRCHFTE-AJNGGQMLSA-N 1 3 313.442 -0.180 20 0 DBADHO COCCN(CCO)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001397790492 999133436 /nfs/dbraw/zinc/13/34/36/999133436.db2.gz ZTIRFUZKEQGULL-GJZGRUSLSA-N 1 3 313.442 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CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001425995862 1002607641 /nfs/dbraw/zinc/60/76/41/1002607641.db2.gz BFEZWSCEFJLXHV-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001425995862 1002607647 /nfs/dbraw/zinc/60/76/47/1002607647.db2.gz BFEZWSCEFJLXHV-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001425995857 1002607683 /nfs/dbraw/zinc/60/76/83/1002607683.db2.gz BFEZWSCEFJLXHV-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001425995857 1002607686 /nfs/dbraw/zinc/60/76/86/1002607686.db2.gz BFEZWSCEFJLXHV-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001426014823 1002619051 /nfs/dbraw/zinc/61/90/51/1002619051.db2.gz ZOCUPXGRTUYOEI-VXGBXAGGSA-N 1 3 314.430 -0.986 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001426014790 1002619814 /nfs/dbraw/zinc/61/98/14/1002619814.db2.gz ZOCUPXGRTUYOEI-NEPJUHHUSA-N 1 3 314.430 -0.986 20 0 DBADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001426039274 1002637145 /nfs/dbraw/zinc/63/71/45/1002637145.db2.gz OBWGPFJLBBLVCZ-LSDHHAIUSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426039274 1002637152 /nfs/dbraw/zinc/63/71/52/1002637152.db2.gz OBWGPFJLBBLVCZ-LSDHHAIUSA-N 1 3 306.410 -0.058 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC001415082584 1002657351 /nfs/dbraw/zinc/65/73/51/1002657351.db2.gz FWOBUJMDOIMZLS-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]21 ZINC001415082584 1002657360 /nfs/dbraw/zinc/65/73/60/1002657360.db2.gz FWOBUJMDOIMZLS-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@@H](C)O ZINC001436421432 1002704090 /nfs/dbraw/zinc/70/40/90/1002704090.db2.gz DDFLMUDKKGSWGF-YRGRVCCFSA-N 1 3 310.398 -0.214 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001437189090 1002878708 /nfs/dbraw/zinc/87/87/08/1002878708.db2.gz RBUCCHMFTXVIMT-QWHCGFSZSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001437994406 1003316209 /nfs/dbraw/zinc/31/62/09/1003316209.db2.gz SQIIEOMLPSKMFE-QWHCGFSZSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438643429 1003563384 /nfs/dbraw/zinc/56/33/84/1003563384.db2.gz OSDWTFOPALVTHQ-ZFWWWQNUSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H](NC[C@H](C)N(C)C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001438676963 1003588701 /nfs/dbraw/zinc/58/87/01/1003588701.db2.gz UZWLJXRIMQQEOD-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001438676958 1003590109 /nfs/dbraw/zinc/59/01/09/1003590109.db2.gz UZWLJXRIMQQEOD-MNOVXSKESA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@@H](CNCC(=O)N1CCOCC1)N(C)C(=O)CC[NH+](C)C ZINC001438677693 1003593432 /nfs/dbraw/zinc/59/34/32/1003593432.db2.gz WLTOSVCGYXHBCC-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001438726952 1003612987 /nfs/dbraw/zinc/61/29/87/1003612987.db2.gz ZAOHRUFBQMTARG-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001438726952 1003612999 /nfs/dbraw/zinc/61/29/99/1003612999.db2.gz ZAOHRUFBQMTARG-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@@H](C)C1 ZINC001439016729 1003833125 /nfs/dbraw/zinc/83/31/25/1003833125.db2.gz DPJBEPRDVUOBDU-IUODEOHRSA-N 1 3 323.441 -0.363 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001428464280 1003843583 /nfs/dbraw/zinc/84/35/83/1003843583.db2.gz XDRRYNYOXCQAQM-VIKVFOODSA-N 1 3 319.409 -0.133 20 0 DBADHO C[C@H](NC[C@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001496061261 1016830988 /nfs/dbraw/zinc/83/09/88/1016830988.db2.gz LZKSGLHEAGVVPX-RYUDHWBXSA-N 1 3 324.429 -0.631 20 0 DBADHO CCNC(=O)CNC[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001439266202 1003892438 /nfs/dbraw/zinc/89/24/38/1003892438.db2.gz FNVZPVJBUZBWTR-LBPRGKRZSA-N 1 3 314.430 -0.672 20 0 DBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001417791407 1004039703 /nfs/dbraw/zinc/03/97/03/1004039703.db2.gz LRAOAIKTNDHOHK-XJFOESAGSA-N 1 3 310.442 -0.053 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001417793502 1004040938 /nfs/dbraw/zinc/04/09/38/1004040938.db2.gz YJZJDRSMRCHFTE-KBUPBQIOSA-N 1 3 313.442 -0.180 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001439791314 1004119821 /nfs/dbraw/zinc/11/98/21/1004119821.db2.gz SUGHBQZIVDNNID-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO COCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001440013074 1004192034 /nfs/dbraw/zinc/19/20/34/1004192034.db2.gz SUHXWRXCJPBLOY-UKRRQHHQSA-N 1 3 301.431 -0.228 20 0 DBADHO COCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001440013074 1004192039 /nfs/dbraw/zinc/19/20/39/1004192039.db2.gz SUHXWRXCJPBLOY-UKRRQHHQSA-N 1 3 301.431 -0.228 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001418077666 1004196826 /nfs/dbraw/zinc/19/68/26/1004196826.db2.gz NZTUBRPQKCTXSM-JOCQHMNTSA-N 1 3 311.430 -0.411 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001440021827 1004198694 /nfs/dbraw/zinc/19/86/94/1004198694.db2.gz VVJRJBVSXIQQAT-GDBMZVCRSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001440021827 1004198699 /nfs/dbraw/zinc/19/86/99/1004198699.db2.gz VVJRJBVSXIQQAT-GDBMZVCRSA-N 1 3 313.442 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001440024873 1004202516 /nfs/dbraw/zinc/20/25/16/1004202516.db2.gz SCBRRDOHTZBFPC-HOCLYGCPSA-N 1 3 313.442 -0.082 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001440024873 1004202524 /nfs/dbraw/zinc/20/25/24/1004202524.db2.gz SCBRRDOHTZBFPC-HOCLYGCPSA-N 1 3 313.442 -0.082 20 0 DBADHO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001440149952 1004272803 /nfs/dbraw/zinc/27/28/03/1004272803.db2.gz LLNWOCWYFFCNMB-MJBXVCDLSA-N 1 3 310.442 -0.019 20 0 DBADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001440149952 1004272812 /nfs/dbraw/zinc/27/28/12/1004272812.db2.gz LLNWOCWYFFCNMB-MJBXVCDLSA-N 1 3 310.442 -0.019 20 0 DBADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001418302945 1004323248 /nfs/dbraw/zinc/32/32/48/1004323248.db2.gz KIOYZDWVKUMQQS-RYUDHWBXSA-N 1 3 314.430 -0.674 20 0 DBADHO CC[C@@H](N[C@H](C)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001418307431 1004327804 /nfs/dbraw/zinc/32/78/04/1004327804.db2.gz WJNCVQKBFJFXTO-DGCLKSJQSA-N 1 3 314.430 -0.545 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001418348684 1004354863 /nfs/dbraw/zinc/35/48/63/1004354863.db2.gz IUWGFLAQODODBQ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001418352390 1004356759 /nfs/dbraw/zinc/35/67/59/1004356759.db2.gz UABRYRINAXCJSX-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001418442226 1004392344 /nfs/dbraw/zinc/39/23/44/1004392344.db2.gz MZVXNWOMBCGROP-GHMZBOCLSA-N 1 3 315.418 -0.606 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001418689092 1004571529 /nfs/dbraw/zinc/57/15/29/1004571529.db2.gz UTIAEYRCYFNRJV-XUXIUFHCSA-N 1 3 308.426 -0.299 20 0 DBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001418694795 1004577217 /nfs/dbraw/zinc/57/72/17/1004577217.db2.gz CIGNHRHWVLKQSL-AVGNSLFASA-N 1 3 319.471 -0.144 20 0 DBADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001418735802 1004604989 /nfs/dbraw/zinc/60/49/89/1004604989.db2.gz BLGRZTGRFSAUII-RDBSUJKOSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001418735802 1004605016 /nfs/dbraw/zinc/60/50/16/1004605016.db2.gz BLGRZTGRFSAUII-RDBSUJKOSA-N 1 3 310.442 -0.099 20 0 DBADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@@H]2CCN(C)C2=O)CC1 ZINC001418831472 1004682458 /nfs/dbraw/zinc/68/24/58/1004682458.db2.gz PZFCAJZUXYPZAG-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CC1CCN(CC(=O)N(C)CC[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC001418831469 1004684028 /nfs/dbraw/zinc/68/40/28/1004684028.db2.gz PZFCAJZUXYPZAG-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001418917925 1004714358 /nfs/dbraw/zinc/71/43/58/1004714358.db2.gz IHCCKAXUEZXAFM-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001418917925 1004714362 /nfs/dbraw/zinc/71/43/62/1004714362.db2.gz IHCCKAXUEZXAFM-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001419366149 1004862514 /nfs/dbraw/zinc/86/25/14/1004862514.db2.gz RKQKRKUKHMWIPH-KBPBESRZSA-N 1 3 308.426 -0.203 20 0 DBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001419373232 1004864272 /nfs/dbraw/zinc/86/42/72/1004864272.db2.gz CTLQNJLRDWPNPO-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001419501498 1004888592 /nfs/dbraw/zinc/88/85/92/1004888592.db2.gz XCDQGTVQVLGOIT-TUAOUCFPSA-N 1 3 305.444 -0.392 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001419521952 1004891644 /nfs/dbraw/zinc/89/16/44/1004891644.db2.gz YGOYXZPBHGGQMZ-QLFBSQMISA-N 1 3 323.441 -0.179 20 0 DBADHO C[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001419841947 1004996514 /nfs/dbraw/zinc/99/65/14/1004996514.db2.gz RNWQXJIHQGYHQE-NSHDSACASA-N 1 3 305.444 -0.533 20 0 DBADHO Cc1nc(CN[C@H](C)CNC(=O)COC2CC[NH+](C)CC2)n[nH]1 ZINC001419898070 1005011582 /nfs/dbraw/zinc/01/15/82/1005011582.db2.gz CHULNCKNANPOGM-LLVKDONJSA-N 1 3 324.429 -0.182 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001420212832 1005157043 /nfs/dbraw/zinc/15/70/43/1005157043.db2.gz MNAJZLKETGZLLW-KBPBESRZSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420292791 1005192014 /nfs/dbraw/zinc/19/20/14/1005192014.db2.gz CKJRKFHRRLNCDU-OCCSQVGLSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001420371071 1005234605 /nfs/dbraw/zinc/23/46/05/1005234605.db2.gz MTXOGXHTIGLHLF-UONOGXRCSA-N 1 3 323.441 -0.017 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001420503821 1005281420 /nfs/dbraw/zinc/28/14/20/1005281420.db2.gz RRWPJXJTKQVHBX-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001440381357 1006087082 /nfs/dbraw/zinc/08/70/82/1006087082.db2.gz YLLGOQNXHVOCRA-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001440381357 1006087065 /nfs/dbraw/zinc/08/70/65/1006087065.db2.gz YLLGOQNXHVOCRA-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001440399316 1006099878 /nfs/dbraw/zinc/09/98/78/1006099878.db2.gz LRMLXHWFGGJHDT-VXGBXAGGSA-N 1 3 300.403 -0.983 20 0 DBADHO C[C@@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001440440034 1006125261 /nfs/dbraw/zinc/12/52/61/1006125261.db2.gz IQNVOZKQGVDFIM-GHMZBOCLSA-N 1 3 323.397 -0.780 20 0 DBADHO C[C@@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001440440034 1006125267 /nfs/dbraw/zinc/12/52/67/1006125267.db2.gz IQNVOZKQGVDFIM-GHMZBOCLSA-N 1 3 323.397 -0.780 20 0 DBADHO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001440527845 1006178284 /nfs/dbraw/zinc/17/82/84/1006178284.db2.gz CSSGJAWRHQUEIY-ZFWWWQNUSA-N 1 3 313.442 -0.253 20 0 DBADHO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001440527845 1006178299 /nfs/dbraw/zinc/17/82/99/1006178299.db2.gz CSSGJAWRHQUEIY-ZFWWWQNUSA-N 1 3 313.442 -0.253 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001440592764 1006217900 /nfs/dbraw/zinc/21/79/00/1006217900.db2.gz JEKNXYXDAQDRCL-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001440637029 1006246326 /nfs/dbraw/zinc/24/63/26/1006246326.db2.gz QCOYMRWFNQRSNO-LBPRGKRZSA-N 1 3 314.430 -0.855 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H](CC)C(N)=O)C[C@H]21 ZINC001441322295 1006585075 /nfs/dbraw/zinc/58/50/75/1006585075.db2.gz UHBIFKLYHUVIKB-YIYPIFLZSA-N 1 3 310.442 -0.114 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H](CC)C(N)=O)C[C@H]21 ZINC001441322295 1006585090 /nfs/dbraw/zinc/58/50/90/1006585090.db2.gz UHBIFKLYHUVIKB-YIYPIFLZSA-N 1 3 310.442 -0.114 20 0 DBADHO CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001441324700 1006585152 /nfs/dbraw/zinc/58/51/52/1006585152.db2.gz CYIMTWGPWPMMJA-OLZOCXBDSA-N 1 3 324.425 -0.966 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001441362324 1006605684 /nfs/dbraw/zinc/60/56/84/1006605684.db2.gz BBLSYORRFRUFBA-IHRRRGAJSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001441543263 1006715208 /nfs/dbraw/zinc/71/52/08/1006715208.db2.gz UYHBYRWFCILLMH-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001430210436 1006761441 /nfs/dbraw/zinc/76/14/41/1006761441.db2.gz SGRVDTFAFUMOMD-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001430210436 1006761454 /nfs/dbraw/zinc/76/14/54/1006761454.db2.gz SGRVDTFAFUMOMD-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001430399581 1006843377 /nfs/dbraw/zinc/84/33/77/1006843377.db2.gz MUQUHQDPKGKPBB-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001430399581 1006843379 /nfs/dbraw/zinc/84/33/79/1006843379.db2.gz MUQUHQDPKGKPBB-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001441839790 1006896085 /nfs/dbraw/zinc/89/60/85/1006896085.db2.gz IYSLQEUZWVJXJX-UONOGXRCSA-N 1 3 323.441 -0.177 20 0 DBADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCCS(C)(=O)=O ZINC001441874934 1006926624 /nfs/dbraw/zinc/92/66/24/1006926624.db2.gz XZDPPLKMDZMLGV-QWHCGFSZSA-N 1 3 319.471 0.000 20 0 DBADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCCS(C)(=O)=O ZINC001441874934 1006926634 /nfs/dbraw/zinc/92/66/34/1006926634.db2.gz XZDPPLKMDZMLGV-QWHCGFSZSA-N 1 3 319.471 0.000 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001497053417 1017226536 /nfs/dbraw/zinc/22/65/36/1017226536.db2.gz IVVJNIRUQPPYKQ-DOMZBBRYSA-N 1 3 319.421 -0.352 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001430905505 1007064366 /nfs/dbraw/zinc/06/43/66/1007064366.db2.gz MBDIWLBHOGUDQP-GFCCVEGCSA-N 1 3 307.398 -0.131 20 0 DBADHO C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442043515 1007129182 /nfs/dbraw/zinc/12/91/82/1007129182.db2.gz BJQDMSZUYIIYSI-QWHCGFSZSA-N 1 3 301.431 -0.397 20 0 DBADHO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442043515 1007129205 /nfs/dbraw/zinc/12/92/05/1007129205.db2.gz BJQDMSZUYIIYSI-QWHCGFSZSA-N 1 3 301.431 -0.397 20 0 DBADHO COC[C@H](O)CN1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001442802613 1007666846 /nfs/dbraw/zinc/66/68/46/1007666846.db2.gz RTMNTETWUIAPRQ-UONOGXRCSA-N 1 3 313.442 -0.084 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445180746 1008295607 /nfs/dbraw/zinc/29/56/07/1008295607.db2.gz KUIRTEGJCGQCMJ-GJZGRUSLSA-N 1 3 321.425 -0.671 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)CC[NH+](C)C)s1 ZINC001445228130 1008311658 /nfs/dbraw/zinc/31/16/58/1008311658.db2.gz XZPDATKOIJIHBT-NSHDSACASA-N 1 3 300.428 -0.030 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001445251393 1008319300 /nfs/dbraw/zinc/31/93/00/1008319300.db2.gz CWGHNALAPCLVBA-QWHCGFSZSA-N 1 3 310.398 -0.246 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cncn2C)C1 ZINC001445254359 1008321562 /nfs/dbraw/zinc/32/15/62/1008321562.db2.gz ZIDYLAUNHLFYFR-OCCSQVGLSA-N 1 3 309.414 -0.671 20 0 DBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001445478366 1008380091 /nfs/dbraw/zinc/38/00/91/1008380091.db2.gz UNPAFPYVDUPONT-MNOVXSKESA-N 1 3 300.403 -0.935 20 0 DBADHO CC(C)CNC(=O)CNC[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001445643618 1008412937 /nfs/dbraw/zinc/41/29/37/1008412937.db2.gz BNNNXXHVXMALPN-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001445996231 1008459217 /nfs/dbraw/zinc/45/92/17/1008459217.db2.gz WBNDALXYXSYKNA-CYBMUJFWSA-N 1 3 308.426 -0.297 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001446461074 1008516570 /nfs/dbraw/zinc/51/65/70/1008516570.db2.gz LVUCVYWYSJPKGC-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001446461074 1008516573 /nfs/dbraw/zinc/51/65/73/1008516573.db2.gz LVUCVYWYSJPKGC-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001446536264 1008538193 /nfs/dbraw/zinc/53/81/93/1008538193.db2.gz PKNXRRALGQOYJX-BFHYXJOUSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001446536264 1008538222 /nfs/dbraw/zinc/53/82/22/1008538222.db2.gz PKNXRRALGQOYJX-BFHYXJOUSA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001446620774 1008618306 /nfs/dbraw/zinc/61/83/06/1008618306.db2.gz XLKCQPBAIVCCLZ-CJNGLKHVSA-N 1 3 310.442 -0.098 20 0 DBADHO CNC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001446726438 1008711907 /nfs/dbraw/zinc/71/19/07/1008711907.db2.gz ORHBCTPXQYOZDF-UHFFFAOYSA-N 1 3 324.425 -0.917 20 0 DBADHO CNC(=O)CNC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001447289605 1009005251 /nfs/dbraw/zinc/00/52/51/1009005251.db2.gz SBJMQUNCAMZTCE-CYBMUJFWSA-N 1 3 324.425 -0.822 20 0 DBADHO NC(=O)NC(=O)CCN1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001460935843 1009129746 /nfs/dbraw/zinc/12/97/46/1009129746.db2.gz AIYPASOIJPMIMU-UHFFFAOYSA-N 1 3 312.414 -0.116 20 0 DBADHO CCN(CC(N)=O)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001447739345 1009276498 /nfs/dbraw/zinc/27/64/98/1009276498.db2.gz YBWXNCWBZPEYGO-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO CCN(CC(N)=O)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001447739345 1009276535 /nfs/dbraw/zinc/27/65/35/1009276535.db2.gz YBWXNCWBZPEYGO-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO CN(CC(=O)NC1CC(C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001447798836 1009319581 /nfs/dbraw/zinc/31/95/81/1009319581.db2.gz SUBJATCCFMNAMO-YIZWMMSDSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H](NCCS(C)(=O)=O)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447907276 1009385927 /nfs/dbraw/zinc/38/59/27/1009385927.db2.gz RLLZIUATWGPYLN-NEPJUHHUSA-N 1 3 319.471 -0.144 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](C[C@H](O)COC)C1)N(C)C ZINC001448317889 1009708150 /nfs/dbraw/zinc/70/81/50/1009708150.db2.gz PWSINUYDHBSVAM-KWCYVHTRSA-N 1 3 301.431 -0.230 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001448445784 1009773800 /nfs/dbraw/zinc/77/38/00/1009773800.db2.gz GHZOKTROSMFGLT-XQLPTFJDSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001448445784 1009773819 /nfs/dbraw/zinc/77/38/19/1009773819.db2.gz GHZOKTROSMFGLT-XQLPTFJDSA-N 1 3 322.453 -0.149 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)CN1CCCC1=O ZINC001448626212 1009829822 /nfs/dbraw/zinc/82/98/22/1009829822.db2.gz ARAOLGIOBBYXJW-NEPJUHHUSA-N 1 3 301.387 -0.947 20 0 DBADHO C[C@H](CN(C)C(=O)c1cc(Cl)c[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001448625201 1009829700 /nfs/dbraw/zinc/82/97/00/1009829700.db2.gz CGGWUWSMCQUGLF-SSDOTTSWSA-N 1 3 315.761 -0.087 20 0 DBADHO C[C@H](CCNC(=O)Cc1ncc[nH]1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001448623851 1009830725 /nfs/dbraw/zinc/83/07/25/1009830725.db2.gz ONHQMHATCUGHQF-VXGBXAGGSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@H](CCNC(=O)Cc1ncc[nH]1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448623851 1009830726 /nfs/dbraw/zinc/83/07/26/1009830726.db2.gz ONHQMHATCUGHQF-VXGBXAGGSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+][C@@H]1CCCNC1=O ZINC001448627454 1009831005 /nfs/dbraw/zinc/83/10/05/1009831005.db2.gz CTQYVGPKGUQRNH-VHSXEESVSA-N 1 3 307.354 -0.489 20 0 DBADHO Cc1c(C(=O)N(C)C[C@H](C)[NH2+]CCN2CCNC2=O)cnn1C ZINC001448624749 1009831122 /nfs/dbraw/zinc/83/11/22/1009831122.db2.gz AXCSICZVLDTAHD-NSHDSACASA-N 1 3 322.413 -0.196 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC001449017763 1010168974 /nfs/dbraw/zinc/16/89/74/1010168974.db2.gz QFRXFDNCSNKTSH-RYUDHWBXSA-N 1 3 324.429 -0.471 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC001449017763 1010168987 /nfs/dbraw/zinc/16/89/87/1010168987.db2.gz QFRXFDNCSNKTSH-RYUDHWBXSA-N 1 3 324.429 -0.471 20 0 DBADHO CN(CC(=O)N1CCC[C@H]([NH+](CCO)CCO)C1)C1CCC1 ZINC001479655582 1010324983 /nfs/dbraw/zinc/32/49/83/1010324983.db2.gz XSZJOOZCZGHINW-HNNXBMFYSA-N 1 3 313.442 -0.252 20 0 DBADHO COCCN(CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001479659747 1010330833 /nfs/dbraw/zinc/33/08/33/1010330833.db2.gz NGSJXNLHLAFQMK-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001449166567 1010334488 /nfs/dbraw/zinc/33/44/88/1010334488.db2.gz YDLZWAYEMBIUQN-ZIAGYGMSSA-N 1 3 311.430 -0.331 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001479961163 1010481511 /nfs/dbraw/zinc/48/15/11/1010481511.db2.gz BRSFUNYWKTVYIF-CABCVRRESA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001480046003 1010513803 /nfs/dbraw/zinc/51/38/03/1010513803.db2.gz CSYKIJPPHFNPHL-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001480232277 1010585130 /nfs/dbraw/zinc/58/51/30/1010585130.db2.gz RLJHQVRWWSTPNX-WHOHXGKFSA-N 1 3 310.398 -0.631 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](N[C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001480619585 1010719708 /nfs/dbraw/zinc/71/97/08/1010719708.db2.gz GNNMGTIOUFEVEY-NWDGAFQWSA-N 1 3 322.409 -0.676 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001450485266 1010740410 /nfs/dbraw/zinc/74/04/10/1010740410.db2.gz YDXHQIOUXJTQBM-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)CCC[NH+](C)C)C2)C1 ZINC001450485272 1010740549 /nfs/dbraw/zinc/74/05/49/1010740549.db2.gz YDXHQIOUXJTQBM-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001481279029 1010880011 /nfs/dbraw/zinc/88/00/11/1010880011.db2.gz DSMSFFGWTMASRI-CYBMUJFWSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001481288012 1010881981 /nfs/dbraw/zinc/88/19/81/1010881981.db2.gz RSNDVXGVIHVUNX-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001481630434 1010943414 /nfs/dbraw/zinc/94/34/14/1010943414.db2.gz IXPDZKAHDFYKOX-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481630434 1010943418 /nfs/dbraw/zinc/94/34/18/1010943418.db2.gz IXPDZKAHDFYKOX-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001482066794 1011044648 /nfs/dbraw/zinc/04/46/48/1011044648.db2.gz MVPVWDIRVBEOKU-CQSZACIVSA-N 1 3 323.441 -0.312 20 0 DBADHO C[C@@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482353964 1011126433 /nfs/dbraw/zinc/12/64/33/1011126433.db2.gz MNCSEHCMZSKYPZ-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)CN1CCCC1 ZINC001482365251 1011130559 /nfs/dbraw/zinc/13/05/59/1011130559.db2.gz UCFNAUWWYIQQJX-RYUDHWBXSA-N 1 3 310.398 -0.676 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001482756053 1011391579 /nfs/dbraw/zinc/39/15/79/1011391579.db2.gz NNFDEGGOKDPEKQ-AWEZNQCLSA-N 1 3 323.441 -0.139 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001482786148 1011459703 /nfs/dbraw/zinc/45/97/03/1011459703.db2.gz RCALBWDYNIABRY-DZGCQCFKSA-N 1 3 321.425 -0.306 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001482786148 1011459711 /nfs/dbraw/zinc/45/97/11/1011459711.db2.gz RCALBWDYNIABRY-DZGCQCFKSA-N 1 3 321.425 -0.306 20 0 DBADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482924821 1011540525 /nfs/dbraw/zinc/54/05/25/1011540525.db2.gz KDVNPEUKXKBBEA-OAHLLOKOSA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@H](C[NH2+]C[C@H](O)Cn1cccn1)NC(=O)C1(N(C)C)CCC1 ZINC001483135840 1011720087 /nfs/dbraw/zinc/72/00/87/1011720087.db2.gz UBXVJEMPIUSZQO-KGLIPLIRSA-N 1 3 323.441 -0.177 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001483185209 1011771591 /nfs/dbraw/zinc/77/15/91/1011771591.db2.gz BBRKPUQUFDMIGF-OLZOCXBDSA-N 1 3 313.446 -0.308 20 0 DBADHO C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001483198696 1011787523 /nfs/dbraw/zinc/78/75/23/1011787523.db2.gz WTBCPAIJNKVAMZ-OLZOCXBDSA-N 1 3 324.425 -0.238 20 0 DBADHO C[C@@H](CNCC(N)=O)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483266046 1011819852 /nfs/dbraw/zinc/81/98/52/1011819852.db2.gz CITMFMGIMPIZAN-HZMBPMFUSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@@H](CNCC(N)=O)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483266046 1011819855 /nfs/dbraw/zinc/81/98/55/1011819855.db2.gz CITMFMGIMPIZAN-HZMBPMFUSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001483293873 1011829435 /nfs/dbraw/zinc/82/94/35/1011829435.db2.gz LVJFOVCEQVTVDJ-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001483293873 1011829436 /nfs/dbraw/zinc/82/94/36/1011829436.db2.gz LVJFOVCEQVTVDJ-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1C[C@H]([NH2+]CCOCCO)CCN1C(=O)Cc1c[nH]cn1 ZINC001483912983 1012204854 /nfs/dbraw/zinc/20/48/54/1012204854.db2.gz RXGWXMGCZFVYRV-CHWSQXEVSA-N 1 3 310.398 -0.070 20 0 DBADHO CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484346213 1012579003 /nfs/dbraw/zinc/57/90/03/1012579003.db2.gz ADMZROUXJMEARQ-NEPJUHHUSA-N 1 3 307.398 -0.085 20 0 DBADHO CC(C)N(C)CC(=O)NCCN1CCC([NH2+]CCO)CC1 ZINC001484423538 1012621417 /nfs/dbraw/zinc/62/14/17/1012621417.db2.gz CVECJAIPRQCSGY-UHFFFAOYSA-N 1 3 300.447 -0.511 20 0 DBADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001456357655 1012668978 /nfs/dbraw/zinc/66/89/78/1012668978.db2.gz KIMSAZCDZQKWTG-AWEZNQCLSA-N 1 3 322.453 -0.005 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001484482710 1012707940 /nfs/dbraw/zinc/70/79/40/1012707940.db2.gz UBRYDTXBEWAHAH-QWHCGFSZSA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCN[C@@H](C)C(N)=O ZINC001484482710 1012707960 /nfs/dbraw/zinc/70/79/60/1012707960.db2.gz UBRYDTXBEWAHAH-QWHCGFSZSA-N 1 3 314.430 -0.857 20 0 DBADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001484681158 1012824993 /nfs/dbraw/zinc/82/49/93/1012824993.db2.gz UQKIIIQLJHABBM-ZIAGYGMSSA-N 1 3 324.429 -0.565 20 0 DBADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001484681157 1012825626 /nfs/dbraw/zinc/82/56/26/1012825626.db2.gz UQKIIIQLJHABBM-UONOGXRCSA-N 1 3 324.429 -0.565 20 0 DBADHO C[C@@H]([NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1)C(N)=O ZINC001484680684 1012826231 /nfs/dbraw/zinc/82/62/31/1012826231.db2.gz OXUSLXMTSWNIHI-NEPJUHHUSA-N 1 3 312.414 -0.839 20 0 DBADHO CC[C@@H](NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O ZINC001484695322 1012834400 /nfs/dbraw/zinc/83/44/00/1012834400.db2.gz COYPYFHIEFWPNJ-CHWSQXEVSA-N 1 3 324.425 -0.837 20 0 DBADHO CCOCCN1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001485023986 1012957815 /nfs/dbraw/zinc/95/78/15/1012957815.db2.gz IRUJLWWQMLBGLW-UHFFFAOYSA-N 1 3 301.431 -0.082 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495753 1017398287 /nfs/dbraw/zinc/39/82/87/1017398287.db2.gz MROHBJUGKWPREX-RYUDHWBXSA-N 1 3 310.398 -0.819 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495753 1017398299 /nfs/dbraw/zinc/39/82/99/1017398299.db2.gz MROHBJUGKWPREX-RYUDHWBXSA-N 1 3 310.398 -0.819 20 0 DBADHO C[C@@H](CN[C@H]1CCCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001498066760 1017602486 /nfs/dbraw/zinc/60/24/86/1017602486.db2.gz UHIYQXNYOUQLNC-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001498626648 1017840751 /nfs/dbraw/zinc/84/07/51/1017840751.db2.gz UTQBFGVRQPVLAP-GFCCVEGCSA-N 1 3 319.409 -0.131 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001498626648 1017840752 /nfs/dbraw/zinc/84/07/52/1017840752.db2.gz UTQBFGVRQPVLAP-GFCCVEGCSA-N 1 3 319.409 -0.131 20 0 DBADHO O=C(NCC1(N[C@H]2CCCNC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001499420797 1018098070 /nfs/dbraw/zinc/09/80/70/1018098070.db2.gz JYPCLGZCAPMTEG-LBPRGKRZSA-N 1 3 306.410 -0.401 20 0 DBADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCN2CCNC2=O)CC1 ZINC001499459328 1018110239 /nfs/dbraw/zinc/11/02/39/1018110239.db2.gz XEOAHXPTKLTBIY-UHFFFAOYSA-N 1 3 311.430 -0.410 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCC[C@H]2CN[C@H]2CCNC2=O)CC1 ZINC001499921278 1018210130 /nfs/dbraw/zinc/21/01/30/1018210130.db2.gz TVDYFZYQLGYPDY-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001499950840 1018217448 /nfs/dbraw/zinc/21/74/48/1018217448.db2.gz OIQYLNVXMMBDNV-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001499950840 1018217432 /nfs/dbraw/zinc/21/74/32/1018217432.db2.gz OIQYLNVXMMBDNV-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001500756681 1018443352 /nfs/dbraw/zinc/44/33/52/1018443352.db2.gz HYOUCSITXASDHQ-BBRMVZONSA-N 1 3 322.409 -0.150 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001500756681 1018443360 /nfs/dbraw/zinc/44/33/60/1018443360.db2.gz HYOUCSITXASDHQ-BBRMVZONSA-N 1 3 322.409 -0.150 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001501864673 1018888166 /nfs/dbraw/zinc/88/81/66/1018888166.db2.gz JXDXPJFRZNCDGR-BAABZTOOSA-N 1 3 308.426 -0.178 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001501864673 1018888170 /nfs/dbraw/zinc/88/81/70/1018888170.db2.gz JXDXPJFRZNCDGR-BAABZTOOSA-N 1 3 308.426 -0.178 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001501864674 1018888324 /nfs/dbraw/zinc/88/83/24/1018888324.db2.gz JXDXPJFRZNCDGR-HSWBROFVSA-N 1 3 308.426 -0.178 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC/C=C/CNC(=O)CN2CCCC2)C1 ZINC001501864674 1018888337 /nfs/dbraw/zinc/88/83/37/1018888337.db2.gz JXDXPJFRZNCDGR-HSWBROFVSA-N 1 3 308.426 -0.178 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001501864675 1018888891 /nfs/dbraw/zinc/88/88/91/1018888891.db2.gz JXDXPJFRZNCDGR-PYLYLYNFSA-N 1 3 308.426 -0.178 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001501864675 1018888892 /nfs/dbraw/zinc/88/88/92/1018888892.db2.gz JXDXPJFRZNCDGR-PYLYLYNFSA-N 1 3 308.426 -0.178 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001502075183 1018972223 /nfs/dbraw/zinc/97/22/23/1018972223.db2.gz XCBPHODTSDFSCL-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@](CO)([NH2+]CCCO)C2)C1 ZINC001502588402 1019100781 /nfs/dbraw/zinc/10/07/81/1019100781.db2.gz DUCMUAMTHAYPST-GOEBONIOSA-N 1 3 313.442 -0.346 20 0 DBADHO C[NH+](C)CCCC(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001502633666 1019123638 /nfs/dbraw/zinc/12/36/38/1019123638.db2.gz HQUXYQLJJMRWEN-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001502604770 1019113350 /nfs/dbraw/zinc/11/33/50/1019113350.db2.gz RDJQVUBBXJHNNH-HOCLYGCPSA-N 1 3 313.442 -0.204 20 0 DBADHO CCCN(C)CC(=O)NC1(C[NH2+]C[C@@H](C)O)CCOCC1 ZINC001502642250 1019124818 /nfs/dbraw/zinc/12/48/18/1019124818.db2.gz SAZDKGGRIISLIV-CYBMUJFWSA-N 1 3 301.431 -0.036 20 0 DBADHO COCCN1CCC(CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001505391456 1019282428 /nfs/dbraw/zinc/28/24/28/1019282428.db2.gz XLNAOEAEWLDFKD-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO COCCN1CCC(CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001505391456 1019282446 /nfs/dbraw/zinc/28/24/46/1019282446.db2.gz XLNAOEAEWLDFKD-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001575961765 1019779497 /nfs/dbraw/zinc/77/94/97/1019779497.db2.gz HTRMHBHVRWNUJZ-HOCLYGCPSA-N 1 3 312.458 -0.367 20 0 DBADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)Cn3cnnn3)CC2)CC[NH2+]1 ZINC001576598558 1019872146 /nfs/dbraw/zinc/87/21/46/1019872146.db2.gz OUENEAVKMOEIGX-OLZOCXBDSA-N 1 3 307.402 -0.795 20 0 DBADHO C[C@@H]1CN(C(=O)CC2(N)COC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001576769673 1019886688 /nfs/dbraw/zinc/88/66/88/1019886688.db2.gz QGGNRSHKHVVANA-ZIAGYGMSSA-N 1 3 310.442 -0.411 20 0 DBADHO CN(C[C@H](O)C[NH2+]CCc1cn[nH]n1)C(=O)[C@H]1CCCCN1C ZINC001576770203 1019886846 /nfs/dbraw/zinc/88/68/46/1019886846.db2.gz NKFCUTVWEDCUHG-ZIAGYGMSSA-N 1 3 324.429 -0.760 20 0 DBADHO CN(C[C@H](O)C[NH2+]CCc1c[nH]nn1)C(=O)[C@H]1CCCCN1C ZINC001576770203 1019886848 /nfs/dbraw/zinc/88/68/48/1019886848.db2.gz NKFCUTVWEDCUHG-ZIAGYGMSSA-N 1 3 324.429 -0.760 20 0 DBADHO CN(C[C@H](O)C[NH2+]CCc1cn[nH]n1)C(=O)[C@@H]1CCCCN1C ZINC001576770201 1019887423 /nfs/dbraw/zinc/88/74/23/1019887423.db2.gz NKFCUTVWEDCUHG-KGLIPLIRSA-N 1 3 324.429 -0.760 20 0 DBADHO CN(C[C@H](O)C[NH2+]CCc1c[nH]nn1)C(=O)[C@@H]1CCCCN1C ZINC001576770201 1019887425 /nfs/dbraw/zinc/88/74/25/1019887425.db2.gz NKFCUTVWEDCUHG-KGLIPLIRSA-N 1 3 324.429 -0.760 20 0 DBADHO CN(C[C@@H](O)C[NH2+]CCc1cn[nH]n1)C(=O)[C@H]1CCCCN1C ZINC001576770202 1019887811 /nfs/dbraw/zinc/88/78/11/1019887811.db2.gz NKFCUTVWEDCUHG-UONOGXRCSA-N 1 3 324.429 -0.760 20 0 DBADHO CN(C[C@@H](O)C[NH2+]CCc1c[nH]nn1)C(=O)[C@H]1CCCCN1C ZINC001576770202 1019887818 /nfs/dbraw/zinc/88/78/18/1019887818.db2.gz NKFCUTVWEDCUHG-UONOGXRCSA-N 1 3 324.429 -0.760 20 0 DBADHO C[C@@H]1CN(S(=O)(=O)CCCN(C)C)C[C@@]2(CC[NH2+]C2)O1 ZINC001576811709 1019894541 /nfs/dbraw/zinc/89/45/41/1019894541.db2.gz ITEBCTGWKYLEEZ-OLZOCXBDSA-N 1 3 305.444 -0.279 20 0 DBADHO Cc1cncn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCc3c[nH]nn3)C[C@H]21 ZINC001577496414 1020071105 /nfs/dbraw/zinc/07/11/05/1020071105.db2.gz UVHHUIBMSASPKN-NHAGDIPZSA-N 1 3 315.381 -0.401 20 0 DBADHO Cc1cncn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCc3c[nH]nn3)C[C@H]21 ZINC001577496414 1020071117 /nfs/dbraw/zinc/07/11/17/1020071117.db2.gz UVHHUIBMSASPKN-NHAGDIPZSA-N 1 3 315.381 -0.401 20 0 DBADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001507124940 1020097718 /nfs/dbraw/zinc/09/77/18/1020097718.db2.gz FXESYAXIVWIXIX-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001507124940 1020097725 /nfs/dbraw/zinc/09/77/25/1020097725.db2.gz FXESYAXIVWIXIX-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001507124940 1020097735 /nfs/dbraw/zinc/09/77/35/1020097735.db2.gz FXESYAXIVWIXIX-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)NCC(N)=O ZINC001507138724 1020104410 /nfs/dbraw/zinc/10/44/10/1020104410.db2.gz OWPWKGKWFFNAKT-NSHDSACASA-N 1 3 300.403 -0.981 20 0 DBADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H](NCc2c[nH]nn2)C1 ZINC001577758393 1020117805 /nfs/dbraw/zinc/11/78/05/1020117805.db2.gz LTTIZRPQSPQQSP-GXTWGEPZSA-N 1 3 304.398 -0.163 20 0 DBADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H](NCc2c[nH]nn2)C1 ZINC001577758394 1020118223 /nfs/dbraw/zinc/11/82/23/1020118223.db2.gz LTTIZRPQSPQQSP-JSGCOSHPSA-N 1 3 304.398 -0.163 20 0 DBADHO O=C(CN1CCCC1)NC[C@H]([NH2+]CCc1cn[nH]n1)C1CC1 ZINC001577922952 1020145661 /nfs/dbraw/zinc/14/56/61/1020145661.db2.gz KXIJEGUXHAGVGI-AWEZNQCLSA-N 1 3 306.414 -0.073 20 0 DBADHO O=C(CN1CCCC1)NC[C@H]([NH2+]CCc1c[nH]nn1)C1CC1 ZINC001577922952 1020145669 /nfs/dbraw/zinc/14/56/69/1020145669.db2.gz KXIJEGUXHAGVGI-AWEZNQCLSA-N 1 3 306.414 -0.073 20 0 DBADHO O=C(CN1CCCC1)NC[C@@H]([NH2+]CCc1cn[nH]n1)C1CC1 ZINC001577922953 1020147208 /nfs/dbraw/zinc/14/72/08/1020147208.db2.gz KXIJEGUXHAGVGI-CQSZACIVSA-N 1 3 306.414 -0.073 20 0 DBADHO O=C(CN1CCCC1)NC[C@@H]([NH2+]CCc1c[nH]nn1)C1CC1 ZINC001577922953 1020147219 /nfs/dbraw/zinc/14/72/19/1020147219.db2.gz KXIJEGUXHAGVGI-CQSZACIVSA-N 1 3 306.414 -0.073 20 0 DBADHO CN(CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCCOC1)C1CCC1 ZINC001507206323 1020185278 /nfs/dbraw/zinc/18/52/78/1020185278.db2.gz BVTVGYHTILZEOG-KGLIPLIRSA-N 1 3 313.442 -0.036 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]C[C@@H]2CCCOC2)CCC1 ZINC001507210231 1020188864 /nfs/dbraw/zinc/18/88/64/1020188864.db2.gz XQSQLHLHYWHUHR-KBPBESRZSA-N 1 3 313.442 -0.036 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]C[C@H]2CCCOC2)CCC1 ZINC001507210232 1020189477 /nfs/dbraw/zinc/18/94/77/1020189477.db2.gz XQSQLHLHYWHUHR-KGLIPLIRSA-N 1 3 313.442 -0.036 20 0 DBADHO CC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001578223293 1020203394 /nfs/dbraw/zinc/20/33/94/1020203394.db2.gz VUUHQFYFBDIAOD-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C)CC1CN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@H]32)C1 ZINC001578412480 1020230951 /nfs/dbraw/zinc/23/09/51/1020230951.db2.gz NTFDBMXMQRRJGL-AGIUHOORSA-N 1 3 315.439 -0.971 20 0 DBADHO C[NH+](C)CCN1CCN(C(=O)NCc2cc(N)ccn2)CC1=O ZINC001578418238 1020234823 /nfs/dbraw/zinc/23/48/23/1020234823.db2.gz AMMJTEMUBVDYNI-UHFFFAOYSA-N 1 3 320.397 -0.421 20 0 DBADHO CN(CCO)CCN(C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC001578472853 1020245690 /nfs/dbraw/zinc/24/56/90/1020245690.db2.gz FJORAKSWNIZKER-UHFFFAOYSA-N 1 3 310.402 -0.801 20 0 DBADHO CN1CCC([NH+]2CCC(NC(=O)CC3(N)COC3)CC2)CC1 ZINC001578524541 1020255809 /nfs/dbraw/zinc/25/58/09/1020255809.db2.gz CUFNWOOOHVKTBJ-UHFFFAOYSA-N 1 3 310.442 -0.221 20 0 DBADHO CN1CCN(CCCNC(=O)C2(C3(O)C[NH2+]C3)CCC2)CC1 ZINC001578533246 1020257515 /nfs/dbraw/zinc/25/75/15/1020257515.db2.gz CEHUBIJOCFKRJK-UHFFFAOYSA-N 1 3 310.442 -0.755 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001578528804 1020259145 /nfs/dbraw/zinc/25/91/45/1020259145.db2.gz LNPKGETWYDUETO-AVGNSLFASA-N 1 3 309.414 -0.576 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001578528060 1020259491 /nfs/dbraw/zinc/25/94/91/1020259491.db2.gz BVIZXDSCQKYLOF-XDQVBPFNSA-N 1 3 306.410 -0.641 20 0 DBADHO C[NH2+]CCOCCNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC001578709825 1020284997 /nfs/dbraw/zinc/28/49/97/1020284997.db2.gz QLFFXCGMVVWKTG-ZDUSSCGKSA-N 1 3 305.444 -0.372 20 0 DBADHO COC1(OC)CCOC[C@@H]1NCC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578932454 1020331750 /nfs/dbraw/zinc/33/17/50/1020331750.db2.gz OUWVORBTGXZUBK-WJLOJVBCSA-N 1 3 300.399 -0.001 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507544360 1020420915 /nfs/dbraw/zinc/42/09/15/1020420915.db2.gz YPSKJTZNLJSVJW-HIFRSBDPSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001507544360 1020420920 /nfs/dbraw/zinc/42/09/20/1020420920.db2.gz YPSKJTZNLJSVJW-HIFRSBDPSA-N 1 3 323.441 -0.329 20 0 DBADHO CS(=O)(=O)NC[C@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001579347001 1020424927 /nfs/dbraw/zinc/42/49/27/1020424927.db2.gz YIOQLXFDJYFUHF-VXGBXAGGSA-N 1 3 303.428 -0.622 20 0 DBADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001507626554 1020453778 /nfs/dbraw/zinc/45/37/78/1020453778.db2.gz LEWNOBMTDOLNIP-LSDHHAIUSA-N 1 3 313.442 -0.274 20 0 DBADHO Cn1ncc(C[NH3+])c1C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001580000694 1020622017 /nfs/dbraw/zinc/62/20/17/1020622017.db2.gz KUEXTHOXRLMKRL-QWHCGFSZSA-N 1 3 307.398 -0.450 20 0 DBADHO Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001580000693 1020622981 /nfs/dbraw/zinc/62/29/81/1020622981.db2.gz KUEXTHOXRLMKRL-OLZOCXBDSA-N 1 3 307.398 -0.450 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CC23C[NH2+]C3)CC1 ZINC001580085152 1020642375 /nfs/dbraw/zinc/64/23/75/1020642375.db2.gz UDTGYJBEYAHGTD-ZDUSSCGKSA-N 1 3 320.437 -0.072 20 0 DBADHO NCC(=O)N1CCC[C@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001580206567 1020668806 /nfs/dbraw/zinc/66/88/06/1020668806.db2.gz ILXVRBJXHIFIBR-OCCSQVGLSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@@H]1C(F)(F)F ZINC001580269754 1020677556 /nfs/dbraw/zinc/67/75/56/1020677556.db2.gz UOGHJUDPRBKBES-WOPDTQHZSA-N 1 3 320.359 -0.028 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCN2C2CCOCC2)CCO1 ZINC001580268813 1020677592 /nfs/dbraw/zinc/67/75/92/1020677592.db2.gz OJEKKPXLTQBXQL-ZIAGYGMSSA-N 1 3 312.414 -0.391 20 0 DBADHO [NH3+]Cc1ccc2nc(C(=O)N3CC(N[C@@H]4CCOC4)C3)cn2c1 ZINC001580341264 1020697000 /nfs/dbraw/zinc/69/70/00/1020697000.db2.gz WREFGEDPOLCUDT-GFCCVEGCSA-N 1 3 315.377 -0.004 20 0 DBADHO [NH3+][C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@H]1C(F)(F)F ZINC001580390639 1020705318 /nfs/dbraw/zinc/70/53/18/1020705318.db2.gz BMTPXEUCMMKTSJ-GMTAPVOTSA-N 1 3 306.332 -0.276 20 0 DBADHO O=C1O[C@H](CN2CCN(C3CCOCC3)CC2)CC12C[NH2+]C2 ZINC001580853971 1020806746 /nfs/dbraw/zinc/80/67/46/1020806746.db2.gz ZLILKIYYVWMLRU-AWEZNQCLSA-N 1 3 309.410 -0.312 20 0 DBADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC001566508641 1024222477 /nfs/dbraw/zinc/22/24/77/1024222477.db2.gz LGZNUGIQVMXJKS-CHWSQXEVSA-N 1 3 324.425 -0.429 20 0 DBADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC001566508641 1024222492 /nfs/dbraw/zinc/22/24/92/1024222492.db2.gz LGZNUGIQVMXJKS-CHWSQXEVSA-N 1 3 324.425 -0.429 20 0 DBADHO CN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC(=O)NC1=O ZINC001566508796 1024226972 /nfs/dbraw/zinc/22/69/72/1024226972.db2.gz PMJAYSMDDXUKOV-GFCCVEGCSA-N 1 3 322.409 -0.675 20 0 DBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001567023761 1024470259 /nfs/dbraw/zinc/47/02/59/1024470259.db2.gz ZRGWMOONFOWDHW-WDEREUQCSA-N 1 3 310.398 -0.630 20 0 DBADHO CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1C ZINC001567475135 1024716391 /nfs/dbraw/zinc/71/63/91/1024716391.db2.gz CHDNELMADBCDRQ-QWHCGFSZSA-N 1 3 317.455 -0.437 20 0 DBADHO COCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001568583280 1024955552 /nfs/dbraw/zinc/95/55/52/1024955552.db2.gz RLLDCQBOHCWIHQ-UONOGXRCSA-N 1 3 301.431 -0.038 20 0 DBADHO COCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001568583278 1024954001 /nfs/dbraw/zinc/95/40/01/1024954001.db2.gz RLLDCQBOHCWIHQ-KBPBESRZSA-N 1 3 301.431 -0.038 20 0 DBADHO CC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001568645922 1024975207 /nfs/dbraw/zinc/97/52/07/1024975207.db2.gz MOPPYAMWGPTSFJ-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](C[NH2+]CCNS(C)(=O)=O)NC(=O)C1(N(C)C)CCC1 ZINC001568997527 1025110359 /nfs/dbraw/zinc/11/03/59/1025110359.db2.gz VDRWTHHCNRVDLC-LLVKDONJSA-N 1 3 320.459 -0.886 20 0 DBADHO C[C@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001569019235 1025116759 /nfs/dbraw/zinc/11/67/59/1025116759.db2.gz PUYNXJXERVUYNY-QWHCGFSZSA-N 1 3 324.425 -0.429 20 0 DBADHO CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001569259171 1025188327 /nfs/dbraw/zinc/18/83/27/1025188327.db2.gz XXOJMYGDVYNFLO-GFCCVEGCSA-N 1 3 315.418 -0.794 20 0 DBADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001569270416 1025189768 /nfs/dbraw/zinc/18/97/68/1025189768.db2.gz VHACIQRZFMCVIY-GFCCVEGCSA-N 1 3 312.414 -0.430 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(CCOCCO)C2)C1 ZINC001569651443 1025298494 /nfs/dbraw/zinc/29/84/94/1025298494.db2.gz RPODJZGGGYWVOQ-HOCLYGCPSA-N 1 3 313.442 -0.082 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CCN(CCOCCO)C2)C1 ZINC001569651443 1025298500 /nfs/dbraw/zinc/29/85/00/1025298500.db2.gz RPODJZGGGYWVOQ-HOCLYGCPSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCOCCO ZINC001570344456 1025586163 /nfs/dbraw/zinc/58/61/63/1025586163.db2.gz PAQFCRKKVXFYHC-ZFWWWQNUSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)C1(C(=O)N2CCC(O)(C[NH2+]CCCO)CC2)CCC1 ZINC001570414926 1025606820 /nfs/dbraw/zinc/60/68/20/1025606820.db2.gz LFSGHUWUHVTTHL-UHFFFAOYSA-N 1 3 313.442 -0.204 20 0 DBADHO CCOCCN[C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001571432405 1025987703 /nfs/dbraw/zinc/98/77/03/1025987703.db2.gz NWDYYUPSFQRXHQ-AWEZNQCLSA-N 1 3 313.442 -0.034 20 0 DBADHO O=S(=O)([C@H]1CCC[NH2+]C1)N1CC(NC2CCOCC2)C1 ZINC001574435888 1026788063 /nfs/dbraw/zinc/78/80/63/1026788063.db2.gz WFKIRFCFRPDDBL-ZDUSSCGKSA-N 1 3 303.428 -0.479 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000360271353 282106934 /nfs/dbraw/zinc/10/69/34/282106934.db2.gz IKHDVQYYTXGWCP-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000332354167 282136351 /nfs/dbraw/zinc/13/63/51/282136351.db2.gz PTWLXMHTYNKROK-STQMWFEESA-N 1 3 312.414 -0.966 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000331695975 282196198 /nfs/dbraw/zinc/19/61/98/282196198.db2.gz YTKNBHGNHZWALT-RDBSUJKOSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000331695975 282196200 /nfs/dbraw/zinc/19/62/00/282196200.db2.gz YTKNBHGNHZWALT-RDBSUJKOSA-N 1 3 308.426 -0.108 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000418960783 529974400 /nfs/dbraw/zinc/97/44/00/529974400.db2.gz JCRAMVYALCMOAE-CYBMUJFWSA-N 1 3 306.410 -0.041 20 0 DBADHO Cn1cnc2c1c(=O)n(CCCNCC1([NH3+])CCC1)c(=O)n2C ZINC000342145338 138120735 /nfs/dbraw/zinc/12/07/35/138120735.db2.gz SJYSIQUPFCLUGG-UHFFFAOYSA-N 1 3 320.397 -0.705 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418499495 237360688 /nfs/dbraw/zinc/36/06/88/237360688.db2.gz YCLNPQOFFYZEPJ-CYBMUJFWSA-N 1 3 311.430 -0.469 20 0 DBADHO CN(C(=O)NC[C@@H]1NCCc2ccccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000418627264 237375996 /nfs/dbraw/zinc/37/59/96/237375996.db2.gz AOFXIRAVAGGJCK-KKUMJFAQSA-N 1 3 304.394 -0.153 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000073244708 283553107 /nfs/dbraw/zinc/55/31/07/283553107.db2.gz COGXKVPEHXDFMC-CQSZACIVSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[NH2+]2)c1 ZINC000444180505 238273918 /nfs/dbraw/zinc/27/39/18/238273918.db2.gz HUEIFPYVYJXVGN-CQSZACIVSA-N 1 3 304.394 -0.044 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)F)CC1=O ZINC000449620733 238353375 /nfs/dbraw/zinc/35/33/75/238353375.db2.gz FULYWZBWBYZAHZ-ZJUUUORDSA-N 1 3 306.357 -0.505 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000449729942 238353864 /nfs/dbraw/zinc/35/38/64/238353864.db2.gz OVSWUDHYIMVOLI-VHSXEESVSA-N 1 3 324.347 -0.208 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(N)=O)n1 ZINC000541049724 283687978 /nfs/dbraw/zinc/68/79/78/283687978.db2.gz SMMJQZTWLRRDCL-UHFFFAOYSA-N 1 3 307.398 -0.254 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000557295434 283963354 /nfs/dbraw/zinc/96/33/54/283963354.db2.gz FSBNSYHMXUIDFA-UHFFFAOYSA-N 1 3 310.442 -0.050 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccnn1 ZINC000562272019 284006835 /nfs/dbraw/zinc/00/68/35/284006835.db2.gz WZNXMGQMRVWHMS-UHFFFAOYSA-N 1 3 322.413 -0.955 20 0 DBADHO CC[NH+](CC)CCOCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000562805278 284015400 /nfs/dbraw/zinc/01/54/00/284015400.db2.gz FDTHSYZFUBSILW-CQSZACIVSA-N 1 3 315.462 -0.371 20 0 DBADHO N[C@@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563437333 284039864 /nfs/dbraw/zinc/03/98/64/284039864.db2.gz YSMFXBPEJVJOHW-RDBSUJKOSA-N 1 3 302.378 -0.673 20 0 DBADHO CC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000563450719 284040541 /nfs/dbraw/zinc/04/05/41/284040541.db2.gz HBOSVNHNCZRTGG-OLZOCXBDSA-N 1 3 309.414 -0.576 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C[NH+]1CCCC1 ZINC000563457185 284041311 /nfs/dbraw/zinc/04/13/11/284041311.db2.gz JTAANMCTNXVQRR-RDBSUJKOSA-N 1 3 323.441 -0.328 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000563603713 284044564 /nfs/dbraw/zinc/04/45/64/284044564.db2.gz MPHZOZMKGKJJDE-CQSZACIVSA-N 1 3 323.441 -0.312 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CCOC3C[NH2+]C3)C2)CC1 ZINC000564933536 284072887 /nfs/dbraw/zinc/07/28/87/284072887.db2.gz BOWPOAMOZQNYSS-OAHLLOKOSA-N 1 3 324.469 -0.008 20 0 DBADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565255868 284091311 /nfs/dbraw/zinc/09/13/11/284091311.db2.gz VTUHDGLZWJQDBV-XQQFMLRXSA-N 1 3 311.430 -0.330 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000643545422 374260305 /nfs/dbraw/zinc/26/03/05/374260305.db2.gz QXVPYDAMGRTLAB-MCIONIFRSA-N 1 3 308.426 -0.108 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000643545437 374260338 /nfs/dbraw/zinc/26/03/38/374260338.db2.gz UCLUCAHAKMDFRQ-CRWXNKLISA-N 1 3 308.426 -0.123 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000643545423 374260353 /nfs/dbraw/zinc/26/03/53/374260353.db2.gz QXVPYDAMGRTLAB-MJBXVCDLSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCC1 ZINC000642698754 374293013 /nfs/dbraw/zinc/29/30/13/374293013.db2.gz LQBFONCPKJXBHC-STQMWFEESA-N 1 3 308.426 -0.345 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H](N2CCCCC2)C1 ZINC000643593883 374299092 /nfs/dbraw/zinc/29/90/92/374299092.db2.gz BWGRGIIJCTWFRG-KFWWJZLASA-N 1 3 320.437 -0.107 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000237890371 374439903 /nfs/dbraw/zinc/43/99/03/374439903.db2.gz UDIZIWUBWIKGMD-VXGBXAGGSA-N 1 3 314.455 -0.605 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CC(=O)N(C2CC2)C1 ZINC000530880944 374450844 /nfs/dbraw/zinc/45/08/44/374450844.db2.gz LLOPZXOUHUUMLR-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]([NH+]4CCCC4)C3)C[C@@H]21 ZINC000584039223 374472541 /nfs/dbraw/zinc/47/25/41/374472541.db2.gz NMSDHUJKVBMCAU-ILXRZTDVSA-N 1 3 320.437 -0.154 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC[NH2+]C2CC2)CCSC1 ZINC000642768822 374504132 /nfs/dbraw/zinc/50/41/32/374504132.db2.gz HHCKMBLGNMNJAM-CQSZACIVSA-N 1 3 314.455 -0.592 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NCC[NH2+]C2CC2)CCSC1 ZINC000642768818 374505412 /nfs/dbraw/zinc/50/54/12/374505412.db2.gz HHCKMBLGNMNJAM-AWEZNQCLSA-N 1 3 314.455 -0.592 20 0 DBADHO NCC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262660716 374500608 /nfs/dbraw/zinc/50/06/08/374500608.db2.gz XNTITXVHXAADPS-AWEZNQCLSA-N 1 3 304.394 -0.041 20 0 DBADHO NCC(=O)NCc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262660716 374500613 /nfs/dbraw/zinc/50/06/13/374500613.db2.gz XNTITXVHXAADPS-AWEZNQCLSA-N 1 3 304.394 -0.041 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642785850 374572837 /nfs/dbraw/zinc/57/28/37/374572837.db2.gz NEPUTUJRBYNZTQ-HZSPNIEDSA-N 1 3 306.410 -0.735 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642786036 374574222 /nfs/dbraw/zinc/57/42/22/374574222.db2.gz YCFCXPBVONBBIC-ILXRZTDVSA-N 1 3 320.437 -0.060 20 0 DBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642786041 374574360 /nfs/dbraw/zinc/57/43/60/374574360.db2.gz YMTZBLWEXZQUNL-KGLIPLIRSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642786042 374574810 /nfs/dbraw/zinc/57/48/10/374574810.db2.gz YMTZBLWEXZQUNL-UONOGXRCSA-N 1 3 308.426 -0.073 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000642785891 374575326 /nfs/dbraw/zinc/57/53/26/374575326.db2.gz PBJYOZMRYGTBQG-RHSMWYFYSA-N 1 3 320.437 -0.201 20 0 DBADHO CC(CCN1CCOC[C@H](O)C1)CC[N@@H+]1CCOC[C@H](O)C1 ZINC000568730296 374613417 /nfs/dbraw/zinc/61/34/17/374613417.db2.gz VOMNWMXVIMBKJX-HZPDHXFCSA-N 1 3 316.442 -0.211 20 0 DBADHO CC(CCN1CCOC[C@H](O)C1)CC[N@H+]1CCOC[C@H](O)C1 ZINC000568730296 374613423 /nfs/dbraw/zinc/61/34/23/374613423.db2.gz VOMNWMXVIMBKJX-HZPDHXFCSA-N 1 3 316.442 -0.211 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1=O ZINC000634768404 374800662 /nfs/dbraw/zinc/80/06/62/374800662.db2.gz IPLROMPLIIFGRL-IOASZLSFSA-N 1 3 308.426 -0.345 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000449344539 374782446 /nfs/dbraw/zinc/78/24/46/374782446.db2.gz RJAOCLFGOUIONC-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[NH3+])C1 ZINC000642891464 374867068 /nfs/dbraw/zinc/86/70/68/374867068.db2.gz MRDMZVYUJAAZBB-CQSZACIVSA-N 1 3 304.394 -0.206 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000237169230 374960034 /nfs/dbraw/zinc/96/00/34/374960034.db2.gz DPWSRDBMAVPSLE-HABKJSAYSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627357840 374966167 /nfs/dbraw/zinc/96/61/67/374966167.db2.gz RZNNTRJHYSCZIY-ZDUSSCGKSA-N 1 3 314.430 -0.684 20 0 DBADHO C[C@]12C[NH+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@]1(C)C(=O)NC2=O ZINC000634998486 375081647 /nfs/dbraw/zinc/08/16/47/375081647.db2.gz GGXWNWKLIRMMFU-IUIKQTSFSA-N 1 3 322.409 -0.832 20 0 DBADHO C[C@H]([NH3+])CCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000262723101 375104788 /nfs/dbraw/zinc/10/47/88/375104788.db2.gz GGNOERBVBBVVDD-NSHDSACASA-N 1 3 310.402 -0.373 20 0 DBADHO CCC([NH3+])(CC)CNC(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000570843843 375395840 /nfs/dbraw/zinc/39/58/40/375395840.db2.gz XNOCSOFNCQCGBJ-UHFFFAOYSA-N 1 3 305.444 -0.213 20 0 DBADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642989032 375473600 /nfs/dbraw/zinc/47/36/00/375473600.db2.gz KMGHADDPRAGMAM-MQYQWHSLSA-N 1 3 308.426 -0.062 20 0 DBADHO CO[C@H](C[NH3+])CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000262765145 375470126 /nfs/dbraw/zinc/47/01/26/375470126.db2.gz ASPPUGPICIIMJY-ZDUSSCGKSA-N 1 3 312.414 -0.883 20 0 DBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642999910 375474598 /nfs/dbraw/zinc/47/45/98/375474598.db2.gz GYAPHXZZZLRPPG-CYBMUJFWSA-N 1 3 319.409 -0.156 20 0 DBADHO O=S(=O)(C[C@H]1CNCCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000313902790 375487527 /nfs/dbraw/zinc/48/75/27/375487527.db2.gz HAXMXNSSJUOSQQ-UONOGXRCSA-N 1 3 317.455 -0.135 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364644274 375655423 /nfs/dbraw/zinc/65/54/23/375655423.db2.gz ZSDXQAKDHAKZKV-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO COCC[NH+]1CCC(NC(=O)NCCN2CC[C@H](O)C2)CC1 ZINC000636647914 375714205 /nfs/dbraw/zinc/71/42/05/375714205.db2.gz KLPGUANSGFGWOX-AWEZNQCLSA-N 1 3 314.430 -0.537 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000591458480 375715707 /nfs/dbraw/zinc/71/57/07/375715707.db2.gz DPKVSAHYKLSMNH-AWEZNQCLSA-N 1 3 310.442 -0.049 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000591458480 375715710 /nfs/dbraw/zinc/71/57/10/375715710.db2.gz DPKVSAHYKLSMNH-AWEZNQCLSA-N 1 3 310.442 -0.049 20 0 DBADHO NC(=O)NC(=O)CCNCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000591759844 375744236 /nfs/dbraw/zinc/74/42/36/375744236.db2.gz ZKDVUDUEDMEMCY-AWEZNQCLSA-N 1 3 320.393 -0.072 20 0 DBADHO NC(=O)NC(=O)CCNCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000591759844 375744244 /nfs/dbraw/zinc/74/42/44/375744244.db2.gz ZKDVUDUEDMEMCY-AWEZNQCLSA-N 1 3 320.393 -0.072 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CCN2C1=O ZINC000594881490 375966024 /nfs/dbraw/zinc/96/60/24/375966024.db2.gz VQMPHDNJTFRGDW-WFGGJUAMSA-N 1 3 306.410 -0.463 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CCN2C1=O ZINC000594880717 375966248 /nfs/dbraw/zinc/96/62/48/375966248.db2.gz WPIIYXLTYGDVBW-BPLDGKMQSA-N 1 3 314.389 -0.009 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)CCN2C1=O ZINC000594873664 375967516 /nfs/dbraw/zinc/96/75/16/375967516.db2.gz HYJZQKUZKYCVBS-ZIAGYGMSSA-N 1 3 314.389 -0.747 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H](C[NH3+])c3ccccc3)CCN2C1=O ZINC000594873681 375967773 /nfs/dbraw/zinc/96/77/73/375967773.db2.gz KPPWXXPRQZOQPI-MELADBBJSA-N 1 3 302.378 -0.501 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595265816 375984168 /nfs/dbraw/zinc/98/41/68/375984168.db2.gz JECDKPGFVIVNCB-IGQOVBAYSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+]4CCC[C@H]4C3)CCN2C1=O ZINC000595265816 375984175 /nfs/dbraw/zinc/98/41/75/375984175.db2.gz JECDKPGFVIVNCB-IGQOVBAYSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CCN2C1=O ZINC000595263918 375984546 /nfs/dbraw/zinc/98/45/46/375984546.db2.gz WZFIGLGDYXBPGP-MGPQQGTHSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595263918 375984553 /nfs/dbraw/zinc/98/45/53/375984553.db2.gz WZFIGLGDYXBPGP-MGPQQGTHSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](CC4CC4)C3)CCN2C1=O ZINC000595263916 375985304 /nfs/dbraw/zinc/98/53/04/375985304.db2.gz WZFIGLGDYXBPGP-HZSPNIEDSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595263916 375985308 /nfs/dbraw/zinc/98/53/08/375985308.db2.gz WZFIGLGDYXBPGP-HZSPNIEDSA-N 1 3 321.425 -0.576 20 0 DBADHO CC(C)[C@H]1CN(C(=O)C2([S@@](C)=O)CC[NH2+]CC2)CCN1 ZINC000602487446 376447052 /nfs/dbraw/zinc/44/70/52/376447052.db2.gz MSXVWULAWRCUSM-MPBGBICISA-N 1 3 301.456 -0.057 20 0 DBADHO CN(C)[C@@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C1CC1 ZINC000602477227 376448532 /nfs/dbraw/zinc/44/85/32/376448532.db2.gz ZIZNIWCGOXXDFA-YUNKPMOVSA-N 1 3 301.456 -0.057 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CCN2C1=O ZINC000602523989 376452122 /nfs/dbraw/zinc/45/21/22/376452122.db2.gz JBUOCNCZZKIQOI-OLZOCXBDSA-N 1 3 306.410 -0.367 20 0 DBADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000602508862 376454018 /nfs/dbraw/zinc/45/40/18/376454018.db2.gz MSTQFZIEXCOUFH-QWHCGFSZSA-N 1 3 313.398 -0.506 20 0 DBADHO CN(C[C@@H](O)C[N@H+](C)C1CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000336850687 376799781 /nfs/dbraw/zinc/79/97/81/376799781.db2.gz YJKAQXFFLMKIML-AWEZNQCLSA-N 1 3 319.471 -0.203 20 0 DBADHO CN(C[C@@H](O)C[N@@H+](C)C1CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000336850687 376799787 /nfs/dbraw/zinc/79/97/87/376799787.db2.gz YJKAQXFFLMKIML-AWEZNQCLSA-N 1 3 319.471 -0.203 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000262615786 377069012 /nfs/dbraw/zinc/06/90/12/377069012.db2.gz GTHQYEHXRJDNNG-MJBXVCDLSA-N 1 3 310.442 -0.018 20 0 DBADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000534273444 377090856 /nfs/dbraw/zinc/09/08/56/377090856.db2.gz RYDURTAAMOUKHD-HOTGVXAUSA-N 1 3 324.469 -0.055 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000262969239 377106083 /nfs/dbraw/zinc/10/60/83/377106083.db2.gz XJZZVLLOHVRHNQ-CYBMUJFWSA-N 1 3 314.430 -0.637 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[NH2+]1 ZINC000627481432 377278254 /nfs/dbraw/zinc/27/82/54/377278254.db2.gz CRKKVOJBHMYHPQ-HZSPNIEDSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1COCCO1 ZINC000607234517 377308675 /nfs/dbraw/zinc/30/86/75/377308675.db2.gz FAGXQDPJFWJKHZ-CYBMUJFWSA-N 1 3 302.419 -0.463 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000268974817 377379312 /nfs/dbraw/zinc/37/93/12/377379312.db2.gz NFDWUDGEKGBEDJ-DYLGSBMWSA-N 1 3 308.426 -0.131 20 0 DBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000627485753 377786572 /nfs/dbraw/zinc/78/65/72/377786572.db2.gz JRWBZMMQZIIYES-ZDUSSCGKSA-N 1 3 312.414 -0.835 20 0 DBADHO COC[C@]1(CNC(=O)c2cnn(CCN(C)C)c2)CCC[NH2+]1 ZINC000638229150 377862791 /nfs/dbraw/zinc/86/27/91/377862791.db2.gz CTYISXWMLJAMGT-OAHLLOKOSA-N 1 3 309.414 -0.057 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000638268639 377866970 /nfs/dbraw/zinc/86/69/70/377866970.db2.gz ZZRRUPSORYBHSK-JKSUJKDBSA-N 1 3 320.437 -0.060 20 0 DBADHO COC[C@]1(C(=O)NCCCN2CCN(C)CC2)CCCC[NH2+]1 ZINC000638136491 377849713 /nfs/dbraw/zinc/84/97/13/377849713.db2.gz HMNAVTCDEPCJPW-INIZCTEOSA-N 1 3 312.458 -0.101 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137865 377850916 /nfs/dbraw/zinc/85/09/16/377850916.db2.gz PMGLVLQBEXBBOL-GDBMZVCRSA-N 1 3 312.458 -0.116 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137943 377850993 /nfs/dbraw/zinc/85/09/93/377850993.db2.gz RCANMVZIIOCVCR-OAHLLOKOSA-N 1 3 311.474 -0.719 20 0 DBADHO CN(C(=O)[C@]1(C)CNCCO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638428182 377911463 /nfs/dbraw/zinc/91/14/63/377911463.db2.gz SKKZBMAHDKJAGT-RDJZCZTQSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C(=O)[C@]1(C)CNCCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638428182 377911467 /nfs/dbraw/zinc/91/14/67/377911467.db2.gz SKKZBMAHDKJAGT-RDJZCZTQSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1=O ZINC000638505842 377958088 /nfs/dbraw/zinc/95/80/88/377958088.db2.gz OUQQNUQUURWDSD-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN1CCN(C[C@@H](C)C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638555568 377995536 /nfs/dbraw/zinc/99/55/36/377995536.db2.gz YOPBLIWDBHCHCS-LBPRGKRZSA-N 1 3 307.446 -0.335 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340478237 377997568 /nfs/dbraw/zinc/99/75/68/377997568.db2.gz BHFJYWIMTULEOF-TZMCWYRMSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340478237 377997576 /nfs/dbraw/zinc/99/75/76/377997576.db2.gz BHFJYWIMTULEOF-TZMCWYRMSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000340478235 377997801 /nfs/dbraw/zinc/99/78/01/377997801.db2.gz BHFJYWIMTULEOF-JSGCOSHPSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000340478235 377997807 /nfs/dbraw/zinc/99/78/07/377997807.db2.gz BHFJYWIMTULEOF-JSGCOSHPSA-N 1 3 308.426 -0.060 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NCC2CC[NH+](C)CC2)n1 ZINC000342121076 378085115 /nfs/dbraw/zinc/08/51/15/378085115.db2.gz RNVGJANZXQBMCR-UHFFFAOYSA-N 1 3 323.445 -0.885 20 0 DBADHO C[NH+](C)CC[C@H](N)C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638985758 378279945 /nfs/dbraw/zinc/27/99/45/378279945.db2.gz NRHPYOQMEUNNRP-ZDUSSCGKSA-N 1 3 306.414 -0.291 20 0 DBADHO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343301567 378324981 /nfs/dbraw/zinc/32/49/81/378324981.db2.gz OXZTZMDODXQMCU-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343301567 378324983 /nfs/dbraw/zinc/32/49/83/378324983.db2.gz OXZTZMDODXQMCU-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000617502550 378368138 /nfs/dbraw/zinc/36/81/38/378368138.db2.gz UBXYEQMSYNVAQO-NWDGAFQWSA-N 1 3 320.459 -0.934 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCS(=O)(=O)N1 ZINC000617502550 378368142 /nfs/dbraw/zinc/36/81/42/378368142.db2.gz UBXYEQMSYNVAQO-NWDGAFQWSA-N 1 3 320.459 -0.934 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nc2n(n1)CCCN2 ZINC000617508025 378369954 /nfs/dbraw/zinc/36/99/54/378369954.db2.gz SCTHTKHKQVJQCY-LBPRGKRZSA-N 1 3 323.445 -0.647 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nc2n(n1)CCCN2 ZINC000617508025 378369960 /nfs/dbraw/zinc/36/99/60/378369960.db2.gz SCTHTKHKQVJQCY-LBPRGKRZSA-N 1 3 323.445 -0.647 20 0 DBADHO CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CN2CCN1CCC2 ZINC000617765599 378570984 /nfs/dbraw/zinc/57/09/84/378570984.db2.gz IJKYNWBPRPPBMK-OAHLLOKOSA-N 1 3 311.474 -0.624 20 0 DBADHO COCCN(C)C[C@@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765958 378637944 /nfs/dbraw/zinc/63/79/44/378637944.db2.gz KWJBMPPOBSGTJZ-CABCVRRESA-N 1 3 303.447 -0.686 20 0 DBADHO COC[C@@H](N)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000354067818 378704432 /nfs/dbraw/zinc/70/44/32/378704432.db2.gz GQDNOCOTYFHJNQ-OAHLLOKOSA-N 1 3 321.425 -0.316 20 0 DBADHO COCCN1CC[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354702735 378759563 /nfs/dbraw/zinc/75/95/63/378759563.db2.gz GGMDFAYVWVRCHJ-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO COCCN1CC[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000354702733 378759791 /nfs/dbraw/zinc/75/97/91/378759791.db2.gz GGMDFAYVWVRCHJ-OLZOCXBDSA-N 1 3 312.414 -0.918 20 0 DBADHO COCC[N@H+](C)CCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358695519 379076646 /nfs/dbraw/zinc/07/66/46/379076646.db2.gz UGKARNWDGGTRNW-CQSZACIVSA-N 1 3 302.419 -0.680 20 0 DBADHO COCC[N@@H+](C)CCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358695519 379076654 /nfs/dbraw/zinc/07/66/54/379076654.db2.gz UGKARNWDGGTRNW-CQSZACIVSA-N 1 3 302.419 -0.680 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000372571419 379633073 /nfs/dbraw/zinc/63/30/73/379633073.db2.gz MSBHOVTXBAZSKK-JJRVBVJISA-N 1 3 324.469 -0.070 20 0 DBADHO CN(C)CCNC(=O)c1cncc(C(=O)NCC[NH+](C)C)c1 ZINC000192460731 379792530 /nfs/dbraw/zinc/79/25/30/379792530.db2.gz DVZCBGOPSKEUDR-UHFFFAOYSA-N 1 3 307.398 -0.336 20 0 DBADHO COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188754787 379776465 /nfs/dbraw/zinc/77/64/65/379776465.db2.gz LTVYGIJQDJBYHG-LLVKDONJSA-N 1 3 307.398 -0.104 20 0 DBADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188754787 379776468 /nfs/dbraw/zinc/77/64/68/379776468.db2.gz LTVYGIJQDJBYHG-LLVKDONJSA-N 1 3 307.398 -0.104 20 0 DBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000584781744 379843749 /nfs/dbraw/zinc/84/37/49/379843749.db2.gz PJWVURFNYOBTQA-HZPDHXFCSA-N 1 3 322.453 -0.001 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419782130 379968864 /nfs/dbraw/zinc/96/88/64/379968864.db2.gz UAIMPNVJXNZYBQ-UHFFFAOYSA-N 1 3 314.430 -0.541 20 0 DBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCCN(C)CCOC ZINC000419675936 379952433 /nfs/dbraw/zinc/95/24/33/379952433.db2.gz LFBUKWBWVRZSQV-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419700788 379955565 /nfs/dbraw/zinc/95/55/65/379955565.db2.gz YCNSOEDYKVXKHF-HZSPNIEDSA-N 1 3 320.437 -0.203 20 0 DBADHO CC(C)CN1CCCC[C@H]1CNC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419702034 379955679 /nfs/dbraw/zinc/95/56/79/379955679.db2.gz USPYCXFKEUJVOJ-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C1CC1 ZINC000419701276 379956734 /nfs/dbraw/zinc/95/67/34/379956734.db2.gz ZEQHAAVDXKXBER-GXTWGEPZSA-N 1 3 308.426 -0.027 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CC1 ZINC000419875601 379985342 /nfs/dbraw/zinc/98/53/42/379985342.db2.gz WVBOFKRDFQINPR-KGLIPLIRSA-N 1 3 308.426 -0.073 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000420003015 380004801 /nfs/dbraw/zinc/00/48/01/380004801.db2.gz SLRFTPHUKPFIQX-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420016214 380009139 /nfs/dbraw/zinc/00/91/39/380009139.db2.gz MIFSRBLXFBOEAF-OUCADQQQSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420016214 380009144 /nfs/dbraw/zinc/00/91/44/380009144.db2.gz MIFSRBLXFBOEAF-OUCADQQQSA-N 1 3 308.426 -0.075 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CC1 ZINC000420061808 380016448 /nfs/dbraw/zinc/01/64/48/380016448.db2.gz LQIVUHWOIHIYTL-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420197565 380043898 /nfs/dbraw/zinc/04/38/98/380043898.db2.gz MDNWQGDMYYADLY-STQMWFEESA-N 1 3 312.414 -0.966 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN(C)C)CC1=O ZINC000246484573 380095903 /nfs/dbraw/zinc/09/59/03/380095903.db2.gz RWZDIJCEGSENNT-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCN(C)C)CC1=O ZINC000246484573 380095908 /nfs/dbraw/zinc/09/59/08/380095908.db2.gz RWZDIJCEGSENNT-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C(N)=O)C1 ZINC000571738955 380116853 /nfs/dbraw/zinc/11/68/53/380116853.db2.gz QHYZYSXWCKMKHI-QWHCGFSZSA-N 1 3 313.446 -0.225 20 0 DBADHO C[C@@H](NC1CC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000571999816 380126823 /nfs/dbraw/zinc/12/68/23/380126823.db2.gz KQLHMHWNYVUIOM-YVLXSGLVSA-N 1 3 308.426 -0.110 20 0 DBADHO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000422124274 380257885 /nfs/dbraw/zinc/25/78/85/380257885.db2.gz YXOYSATXYOCHGR-BFHYXJOUSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C[C@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000422124274 380257889 /nfs/dbraw/zinc/25/78/89/380257889.db2.gz YXOYSATXYOCHGR-BFHYXJOUSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@@H]1CN(C[C@H](O)CNC[C@@H](O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000580445209 380269867 /nfs/dbraw/zinc/26/98/67/380269867.db2.gz NVMDQSNCPNOTIU-QKPAOTATSA-N 1 3 315.458 -0.497 20 0 DBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)C[C@H](C)O1 ZINC000580445209 380269874 /nfs/dbraw/zinc/26/98/74/380269874.db2.gz NVMDQSNCPNOTIU-QKPAOTATSA-N 1 3 315.458 -0.497 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@@H]1C[NH3+] ZINC000423239062 380318000 /nfs/dbraw/zinc/31/80/00/380318000.db2.gz RQSJZICBSYUBHZ-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)C[C@H]1C[NH3+] ZINC000423239065 380318067 /nfs/dbraw/zinc/31/80/67/380318067.db2.gz RQSJZICBSYUBHZ-MGPQQGTHSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@H]1C[NH3+] ZINC000423524906 380342864 /nfs/dbraw/zinc/34/28/64/380342864.db2.gz OVTHQPLVBRDPPT-QWHCGFSZSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@@H]1C[NH3+] ZINC000423524904 380343608 /nfs/dbraw/zinc/34/36/08/380343608.db2.gz OVTHQPLVBRDPPT-OLZOCXBDSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643489754 380360946 /nfs/dbraw/zinc/36/09/46/380360946.db2.gz FOQWINCKIOEBFE-ZNMIVQPWSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643500366 380491295 /nfs/dbraw/zinc/49/12/95/380491295.db2.gz KQJWODDHTFABQM-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCC[C@@H]1CNC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626949584 380514591 /nfs/dbraw/zinc/51/45/91/380514591.db2.gz FXOXIGWRJUMMMY-OLZOCXBDSA-N 1 3 307.402 -0.294 20 0 DBADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)C[C@@H]12 ZINC000643513429 380531494 /nfs/dbraw/zinc/53/14/94/380531494.db2.gz SEFNPYIUEZQWFP-XJFOESAGSA-N 1 3 306.410 -0.511 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643516729 380543601 /nfs/dbraw/zinc/54/36/01/380543601.db2.gz OKEXCVYQMWRGKC-TUVASFSCSA-N 1 3 320.437 -0.108 20 0 DBADHO CN1CCN(c2ncc(CNCCOCCC[NH3+])cn2)CC1 ZINC000629399440 380640451 /nfs/dbraw/zinc/64/04/51/380640451.db2.gz GOLJHAIDSDUANM-UHFFFAOYSA-N 1 3 308.430 -0.317 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1=O ZINC000435240876 380586130 /nfs/dbraw/zinc/58/61/30/380586130.db2.gz QXOFFUUFCZSZHA-TZMCWYRMSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000454427707 380710291 /nfs/dbraw/zinc/71/02/91/380710291.db2.gz FZKLMNOMRLAAPO-QWHCGFSZSA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1)N(C)C ZINC000454427707 380710294 /nfs/dbraw/zinc/71/02/94/380710294.db2.gz FZKLMNOMRLAAPO-QWHCGFSZSA-N 1 3 313.446 -0.177 20 0 DBADHO C[NH2+]CCOCCN(C)CCCN1C(=O)NC(C)(C)C1=O ZINC000629571918 380693580 /nfs/dbraw/zinc/69/35/80/380693580.db2.gz SVJZUUCNPFALIC-UHFFFAOYSA-N 1 3 300.403 -0.125 20 0 DBADHO CCN(CC[NH3+])C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000629787177 380719909 /nfs/dbraw/zinc/71/99/09/380719909.db2.gz UVIQLRDDVBUMAY-UHFFFAOYSA-N 1 3 305.382 -0.463 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629801905 380725543 /nfs/dbraw/zinc/72/55/43/380725543.db2.gz DFQHBYIUFWMZJW-ZDUSSCGKSA-N 1 3 314.430 -0.639 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000629801073 380725907 /nfs/dbraw/zinc/72/59/07/380725907.db2.gz AOAXATUBLWRRPF-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629796736 380726985 /nfs/dbraw/zinc/72/69/85/380726985.db2.gz SDYHVFUQZVKGEX-RRQGHBQHSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000460002075 380798742 /nfs/dbraw/zinc/79/87/42/380798742.db2.gz ZPNDVSWSUPZPAZ-SOUVJXGZSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000460002075 380798748 /nfs/dbraw/zinc/79/87/48/380798748.db2.gz ZPNDVSWSUPZPAZ-SOUVJXGZSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000460002074 380799652 /nfs/dbraw/zinc/79/96/52/380799652.db2.gz ZPNDVSWSUPZPAZ-QLFBSQMISA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000460002074 380799660 /nfs/dbraw/zinc/79/96/60/380799660.db2.gz ZPNDVSWSUPZPAZ-QLFBSQMISA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]C1 ZINC000167409434 380811444 /nfs/dbraw/zinc/81/14/44/380811444.db2.gz UNTKMCYIGUONPZ-MRXNPFEDSA-N 1 3 308.426 -0.247 20 0 DBADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)C[C@@H]2CNCCO2)CC[N@@H+]1C ZINC000631923045 381014596 /nfs/dbraw/zinc/01/45/96/381014596.db2.gz LHFQJCAYOWCQGL-UPJWGTAASA-N 1 3 305.444 -0.281 20 0 DBADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)C[C@@H]2CNCCO2)CC[N@H+]1C ZINC000631923045 381014600 /nfs/dbraw/zinc/01/46/00/381014600.db2.gz LHFQJCAYOWCQGL-UPJWGTAASA-N 1 3 305.444 -0.281 20 0 DBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000642104457 380990405 /nfs/dbraw/zinc/99/04/05/380990405.db2.gz XFMPVSMZZPFQER-OCCSQVGLSA-N 1 3 306.410 -0.261 20 0 DBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000642104456 380990724 /nfs/dbraw/zinc/99/07/24/380990724.db2.gz XFMPVSMZZPFQER-JSGCOSHPSA-N 1 3 306.410 -0.261 20 0 DBADHO CN(C)CCCS(=O)(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000631947072 381030629 /nfs/dbraw/zinc/03/06/29/381030629.db2.gz TYGDLQRIHWKXQD-QWHCGFSZSA-N 1 3 315.443 -0.572 20 0 DBADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000174180230 381039780 /nfs/dbraw/zinc/03/97/80/381039780.db2.gz ZWVVZWZIIUXTAX-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000174180230 381039791 /nfs/dbraw/zinc/03/97/91/381039791.db2.gz ZWVVZWZIIUXTAX-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626975304 381044143 /nfs/dbraw/zinc/04/41/43/381044143.db2.gz ROODQVXTTGYQGM-ZDUSSCGKSA-N 1 3 314.430 -0.096 20 0 DBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642329807 381104866 /nfs/dbraw/zinc/10/48/66/381104866.db2.gz WWILSVZZZFPZMT-TUVASFSCSA-N 1 3 322.453 -0.099 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000627158175 381112838 /nfs/dbraw/zinc/11/28/38/381112838.db2.gz LXILCQVGKSHBTG-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000627158299 381113559 /nfs/dbraw/zinc/11/35/59/381113559.db2.gz QCGQAMMQWYXPED-RFQIPJPRSA-N 1 3 306.414 -0.003 20 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/nfs/dbraw/zinc/43/15/85/381431585.db2.gz MOKLFOVBCAEJAO-GXTWGEPZSA-N 1 3 300.403 -0.927 20 0 DBADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000615306226 381617357 /nfs/dbraw/zinc/61/73/57/381617357.db2.gz AGTWRSGIVIUXIC-MGPQQGTHSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)OC[C@@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000567682419 381706636 /nfs/dbraw/zinc/70/66/36/381706636.db2.gz QFSHYASAWYPAMV-KBPBESRZSA-N 1 3 301.431 -0.051 20 0 DBADHO CC(C)OC[C@@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000567682419 381706643 /nfs/dbraw/zinc/70/66/43/381706643.db2.gz QFSHYASAWYPAMV-KBPBESRZSA-N 1 3 301.431 -0.051 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@H]1CN1CCOCC1 ZINC000568407628 381759034 /nfs/dbraw/zinc/75/90/34/381759034.db2.gz IJIGBYMBLBYUJY-HZPDHXFCSA-N 1 3 315.458 -0.278 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1CN1CCOCC1 ZINC000568407628 381759044 /nfs/dbraw/zinc/75/90/44/381759044.db2.gz IJIGBYMBLBYUJY-HZPDHXFCSA-N 1 3 315.458 -0.278 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000568297755 381754925 /nfs/dbraw/zinc/75/49/25/381754925.db2.gz VLFUSRLTJKYSHS-KBPBESRZSA-N 1 3 321.425 -0.433 20 0 DBADHO CCCC[C@@H](CN)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000569002286 381784259 /nfs/dbraw/zinc/78/42/59/381784259.db2.gz AJHOGMCRGOTHRF-NSHDSACASA-N 1 3 305.444 -0.213 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000573443490 381826128 /nfs/dbraw/zinc/82/61/28/381826128.db2.gz QONHJNBJEBRJGG-GFCCVEGCSA-N 1 3 321.381 -0.290 20 0 DBADHO C[C@]1(C(N)=O)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000573151451 381815791 /nfs/dbraw/zinc/81/57/91/381815791.db2.gz LROOASLXWFEDOU-INIZCTEOSA-N 1 3 308.426 -0.073 20 0 DBADHO COC[C@]1(C(=O)NC[C@@H](O)CN2CCC(C)CC2)CC[NH2+]C1 ZINC000573203734 381818001 /nfs/dbraw/zinc/81/80/01/381818001.db2.gz UFKSXUWIKXCVIX-ZBFHGGJFSA-N 1 3 313.442 -0.179 20 0 DBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000574031719 381846852 /nfs/dbraw/zinc/84/68/52/381846852.db2.gz RHUBGBQWRAFAHG-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)NC2C[NH2+]C2)Cc2ccccc2C1 ZINC000575783026 381898443 /nfs/dbraw/zinc/89/84/43/381898443.db2.gz IHIPDYNKNDGWLS-UHFFFAOYSA-N 1 3 316.405 -0.710 20 0 DBADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CC(=O)N(C)C1=O ZINC000575850679 381899818 /nfs/dbraw/zinc/89/98/18/381899818.db2.gz NUKBEFNFFAYFEC-CHWSQXEVSA-N 1 3 324.425 -0.347 20 0 DBADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@@H]1CC(=O)N(C)C1=O ZINC000575850679 381899824 /nfs/dbraw/zinc/89/98/24/381899824.db2.gz NUKBEFNFFAYFEC-CHWSQXEVSA-N 1 3 324.425 -0.347 20 0 DBADHO CCC[NH2+][C@@H](C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000576343709 381920723 /nfs/dbraw/zinc/92/07/23/381920723.db2.gz YTWKFHUKKPWVGR-LBPRGKRZSA-N 1 3 324.429 -0.113 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000579244407 382058814 /nfs/dbraw/zinc/05/88/14/382058814.db2.gz NLJFJQOUIWXLST-YDHLFZDLSA-N 1 3 310.442 -0.066 20 0 DBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000581022437 382125519 /nfs/dbraw/zinc/12/55/19/382125519.db2.gz VRQRCBZILNSXDP-KKUMJFAQSA-N 1 3 313.442 -0.087 20 0 DBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)NCCN(C)C)CC1 ZINC000579734008 382090000 /nfs/dbraw/zinc/09/00/00/382090000.db2.gz DVTUYOQTXGUXFI-UHFFFAOYSA-N 1 3 313.446 -0.162 20 0 DBADHO CC(C)[C@@H](CNC(=O)CCOC1C[NH2+]C1)N1CCN(C)CC1 ZINC000579829272 382094358 /nfs/dbraw/zinc/09/43/58/382094358.db2.gz BHBJGMGQRWWGFL-OAHLLOKOSA-N 1 3 312.458 -0.247 20 0 DBADHO O=C(NCCNc1ccncc1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000581486608 382151182 /nfs/dbraw/zinc/15/11/82/382151182.db2.gz TXMFVRQIOSTWKQ-UHFFFAOYSA-N 1 3 315.381 -0.139 20 0 DBADHO O=C(CCOC1CNC1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000581483408 382151877 /nfs/dbraw/zinc/15/18/77/382151877.db2.gz KUYZMESQACOVHT-LLVKDONJSA-N 1 3 324.347 -0.683 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000581556110 382157596 /nfs/dbraw/zinc/15/75/96/382157596.db2.gz QVUVVDOVHSVDOJ-ZNMIVQPWSA-N 1 3 303.447 -0.688 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[N@@H+]1C ZINC000581559940 382157884 /nfs/dbraw/zinc/15/78/84/382157884.db2.gz PZCFOULDWXSILG-FVCCEPFGSA-N 1 3 309.414 -0.578 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[N@H+]1C ZINC000581559940 382157891 /nfs/dbraw/zinc/15/78/91/382157891.db2.gz PZCFOULDWXSILG-FVCCEPFGSA-N 1 3 309.414 -0.578 20 0 DBADHO Cn1c(CN2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000581726740 382173384 /nfs/dbraw/zinc/17/33/84/382173384.db2.gz CVYDCJQMIQYVQE-CHWSQXEVSA-N 1 3 306.410 -0.095 20 0 DBADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@H]2CCN(C3CC3)C2)CC1=O ZINC000073074454 382321011 /nfs/dbraw/zinc/32/10/11/382321011.db2.gz JSHLATFGGDKNIF-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1=O ZINC000072996131 382321839 /nfs/dbraw/zinc/32/18/39/382321839.db2.gz HWAYBCLBJDHSLB-ZIAGYGMSSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN1CCC(NC(=O)C(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000627292996 382356708 /nfs/dbraw/zinc/35/67/08/382356708.db2.gz IVTGYPSOMQGNNO-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1C ZINC000627305154 382445052 /nfs/dbraw/zinc/44/50/52/382445052.db2.gz PIECJMGNQIRMHC-FRRDWIJNSA-N 1 3 308.426 -0.014 20 0 DBADHO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)N1 ZINC000620903689 382458865 /nfs/dbraw/zinc/45/88/65/382458865.db2.gz YTMHVEJTOWVFTM-BFHYXJOUSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)[C@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1 ZINC000621153123 382465527 /nfs/dbraw/zinc/46/55/27/382465527.db2.gz KZMPRONAUZLFLB-ZIAGYGMSSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000621840001 382515810 /nfs/dbraw/zinc/51/58/10/382515810.db2.gz BLQLJDSSHNNPBK-MLGOLLRUSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)C2 ZINC000621845225 382516605 /nfs/dbraw/zinc/51/66/05/382516605.db2.gz FRQSCZLHQCLEPW-KEYYUXOJSA-N 1 3 320.437 -0.073 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621845780 382516803 /nfs/dbraw/zinc/51/68/03/382516803.db2.gz PHLIILAPCANUNJ-SWLSCSKDSA-N 1 3 312.414 -0.979 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622031227 382538153 /nfs/dbraw/zinc/53/81/53/382538153.db2.gz JIJBKMQIRUQLFX-DVOMOZLQSA-N 1 3 308.426 -0.121 20 0 DBADHO Nc1nc(N)nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000624052760 382597716 /nfs/dbraw/zinc/59/77/16/382597716.db2.gz OWIUDRIOKZYKKJ-NSHDSACASA-N 1 3 307.402 -0.222 20 0 DBADHO Nc1nc(N)nc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000624046787 382597776 /nfs/dbraw/zinc/59/77/76/382597776.db2.gz LMQQRSDGNMXDNA-MNOVXSKESA-N 1 3 307.402 -0.702 20 0 DBADHO CN1CC[NH+](CC2(C)CCN(c3nc(N)nc(N)n3)CC2)CC1 ZINC000624100816 382599812 /nfs/dbraw/zinc/59/98/12/382599812.db2.gz KRVMOVCXEJFJDS-UHFFFAOYSA-N 1 3 320.445 -0.449 20 0 DBADHO C[C@H](NC1CN(S(=O)(=O)N(C)C)C1)C1CC[NH+](C)CC1 ZINC000624281125 382608366 /nfs/dbraw/zinc/60/83/66/382608366.db2.gz ZYBOPADMGOSBBQ-NSHDSACASA-N 1 3 304.460 -0.203 20 0 DBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000627370754 382619577 /nfs/dbraw/zinc/61/95/77/382619577.db2.gz LGXVSZAJBIWJCC-ZDUSSCGKSA-N 1 3 302.444 -0.653 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])N(C)C1CC1 ZINC000627372600 382619635 /nfs/dbraw/zinc/61/96/35/382619635.db2.gz RGJFAUCIYOXBSN-NSHDSACASA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N(C)C1CC1 ZINC000627372198 382619747 /nfs/dbraw/zinc/61/97/47/382619747.db2.gz GBIGBLZKBPPNEO-DGCLKSJQSA-N 1 3 308.426 -0.014 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCOCC[NH2+]C ZINC000627372595 382619761 /nfs/dbraw/zinc/61/97/61/382619761.db2.gz RDYNRHIXSUQWQN-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N(C)C1CC1 ZINC000627372235 382619769 /nfs/dbraw/zinc/61/97/69/382619769.db2.gz GRXSQCUGMSZAHM-NSHDSACASA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1=CCN(C)CC1 ZINC000627377141 382620416 /nfs/dbraw/zinc/62/04/16/382620416.db2.gz ZNXBYPRBXKAMRP-LBPRGKRZSA-N 1 3 312.414 -0.765 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000627498988 382634297 /nfs/dbraw/zinc/63/42/97/382634297.db2.gz URAOYZBPGHFWFG-BFHYXJOUSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627444214 382626986 /nfs/dbraw/zinc/62/69/86/382626986.db2.gz DHPIWXFQSPXIOB-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000627460754 382628577 /nfs/dbraw/zinc/62/85/77/382628577.db2.gz UMHPOMLXOVWIPW-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000627464140 382629619 /nfs/dbraw/zinc/62/96/19/382629619.db2.gz ROGNVEHIVYZXEP-ZDUSSCGKSA-N 1 3 312.414 -0.965 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821068 382651721 /nfs/dbraw/zinc/65/17/21/382651721.db2.gz NXDALDPEZHWAHR-TZMCWYRMSA-N 1 3 308.426 -0.073 20 0 DBADHO O=S(=O)(CCCN1CCCC1)NCCCN1CC[NH2+]CC1 ZINC000631900014 382653109 /nfs/dbraw/zinc/65/31/09/382653109.db2.gz FRJIFOZTRFGFEC-UHFFFAOYSA-N 1 3 318.487 -0.313 20 0 DBADHO [NH3+]C1(CNS(=O)(=O)CCCN2CCCC2)CCOCC1 ZINC000631954420 382656841 /nfs/dbraw/zinc/65/68/41/382656841.db2.gz LESABVGAJQFSFU-UHFFFAOYSA-N 1 3 305.444 -0.100 20 0 DBADHO C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631961800 382657279 /nfs/dbraw/zinc/65/72/79/382657279.db2.gz BZCOJQSMPQAVKK-DGCLKSJQSA-N 1 3 304.460 -0.061 20 0 DBADHO C[NH+](C)CCOCCNS(=O)(=O)CCCN1CCCC1 ZINC000632201191 382663991 /nfs/dbraw/zinc/66/39/91/382663991.db2.gz LBWDIFLOLNAHPT-UHFFFAOYSA-N 1 3 307.460 -0.030 20 0 DBADHO CN(C)CCOC1CCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633088246 382681481 /nfs/dbraw/zinc/68/14/81/382681481.db2.gz KIJBDMQTKNOCCV-STQMWFEESA-N 1 3 324.425 -0.872 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000627507396 382635235 /nfs/dbraw/zinc/63/52/35/382635235.db2.gz QLLAVEVUSRJDBV-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO COC[C@@]1(CNC(=O)NCCNc2ccncc2)CCC[NH2+]1 ZINC000418647438 532953240 /nfs/dbraw/zinc/95/32/40/532953240.db2.gz YCUSHWOZYJIDGL-HNNXBMFYSA-N 1 3 307.398 -0.017 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCCCNCc1cccnc1 ZINC000646615452 391919085 /nfs/dbraw/zinc/91/90/85/391919085.db2.gz NPTNNHIDXFLDGU-AWEZNQCLSA-N 1 3 319.409 -0.454 20 0 DBADHO CCN1CCN(CCC(=O)N(C)CCN2CC[NH2+]CC2)CC1 ZINC000649271493 392024172 /nfs/dbraw/zinc/02/41/72/392024172.db2.gz JLXSBXYNEPNIKE-UHFFFAOYSA-N 1 3 311.474 -0.622 20 0 DBADHO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[C@@H]1[NH3+] ZINC000649359132 392056990 /nfs/dbraw/zinc/05/69/90/392056990.db2.gz OJROTARSZWMXOO-RDBSUJKOSA-N 1 3 310.442 -0.018 20 0 DBADHO O=C([C@@H]1CNCCC1(F)F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000648138205 392361371 /nfs/dbraw/zinc/36/13/71/392361371.db2.gz UMDWMRSMXDAKIZ-RYUDHWBXSA-N 1 3 302.369 -0.263 20 0 DBADHO C[C@@H](CNC(=O)COCC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000357160621 392383606 /nfs/dbraw/zinc/38/36/06/392383606.db2.gz AZCGGAGVEACCIQ-RYUDHWBXSA-N 1 3 302.419 -0.864 20 0 DBADHO C[C@H](O)CCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556795366 392427617 /nfs/dbraw/zinc/42/76/17/392427617.db2.gz ITEJRMNPPFZWDL-ZDUSSCGKSA-N 1 3 316.446 -0.833 20 0 DBADHO CCN1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000363419886 392446472 /nfs/dbraw/zinc/44/64/72/392446472.db2.gz YFFHIXZOYLHXSE-CQSZACIVSA-N 1 3 310.442 -0.049 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CNCCC3(F)F)C[C@H]2[NH3+])cn1 ZINC000648180903 392571615 /nfs/dbraw/zinc/57/16/15/392571615.db2.gz SYDALQNFHBBLIW-SDDRHHMPSA-N 1 3 313.352 -0.082 20 0 DBADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000423219114 392637317 /nfs/dbraw/zinc/63/73/17/392637317.db2.gz WDVVCYURPNVJCI-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000647597740 392652316 /nfs/dbraw/zinc/65/23/16/392652316.db2.gz KRUSWUGFFXDFMP-QWHCGFSZSA-N 1 3 319.409 -0.028 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC1COCCOC1 ZINC000644467587 392763280 /nfs/dbraw/zinc/76/32/80/392763280.db2.gz BAYUQUJZVXUHKX-UHFFFAOYSA-N 1 3 302.419 -0.463 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(c2ccncc2)CC1 ZINC000645222302 392891522 /nfs/dbraw/zinc/89/15/22/392891522.db2.gz WTLXRUBISDYWBH-AWEZNQCLSA-N 1 3 317.393 -0.402 20 0 DBADHO CCS(=O)(=O)NCCCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000647828794 392903074 /nfs/dbraw/zinc/90/30/74/392903074.db2.gz QZJKNOZZWFJHAZ-GFCCVEGCSA-N 1 3 320.459 -0.897 20 0 DBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000647871160 392907787 /nfs/dbraw/zinc/90/77/87/392907787.db2.gz SGJREGFUXOUWMC-GFCCVEGCSA-N 1 3 319.471 -0.015 20 0 DBADHO O=C(CNC1CC1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000571042901 392858970 /nfs/dbraw/zinc/85/89/70/392858970.db2.gz UGVRCENBMZXHJO-JSGCOSHPSA-N 1 3 308.426 -0.155 20 0 DBADHO CCO[C@H]1C[C@@](N)(C(=O)N(C)CCN2CC[NH2+]CC2)C1(C)C ZINC000647777154 392872859 /nfs/dbraw/zinc/87/28/59/392872859.db2.gz BJEFJEAWOHXCBD-XJKSGUPXSA-N 1 3 312.458 -0.118 20 0 DBADHO CCO[C@@H]1C[C@](N)(C(=O)N(C)CCN2CC[NH2+]CC2)C1(C)C ZINC000647777152 392872894 /nfs/dbraw/zinc/87/28/94/392872894.db2.gz BJEFJEAWOHXCBD-CJNGLKHVSA-N 1 3 312.458 -0.118 20 0 DBADHO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000645263009 392927563 /nfs/dbraw/zinc/92/75/63/392927563.db2.gz QRNMLIQZYKIDRR-QWHCGFSZSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000645263851 392931149 /nfs/dbraw/zinc/93/11/49/392931149.db2.gz WRZVIWOKPXKNCP-OLZOCXBDSA-N 1 3 323.441 -0.016 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417430341 393045261 /nfs/dbraw/zinc/04/52/61/393045261.db2.gz PFHIWLNWWVBLQE-QWHCGFSZSA-N 1 3 313.446 -0.034 20 0 DBADHO O=C(CCOC1CNC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000348986618 393182606 /nfs/dbraw/zinc/18/26/06/393182606.db2.gz COFWQUYCNPMBPH-ZDUSSCGKSA-N 1 3 311.426 -0.018 20 0 DBADHO CCCN(C(=O)C(=O)N1CCN2CCC[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000332113622 393326917 /nfs/dbraw/zinc/32/69/17/393326917.db2.gz HBWMQRRUAVRSPN-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358151600 393439618 /nfs/dbraw/zinc/43/96/18/393439618.db2.gz JYMMVHLZEALTEN-OWCLPIDISA-N 1 3 324.469 -0.151 20 0 DBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358151600 393439620 /nfs/dbraw/zinc/43/96/20/393439620.db2.gz JYMMVHLZEALTEN-OWCLPIDISA-N 1 3 324.469 -0.151 20 0 DBADHO CN(C)[C@@H](CNC(=O)C(=O)NCCC[NH3+])Cc1ccccc1 ZINC000418853614 393516915 /nfs/dbraw/zinc/51/69/15/393516915.db2.gz SMSAKPHXEBSVMA-CQSZACIVSA-N 1 3 306.410 -0.260 20 0 DBADHO COCCNCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419130564 393545714 /nfs/dbraw/zinc/54/57/14/393545714.db2.gz CJFFQWJIEVPUPR-STQMWFEESA-N 1 3 314.430 -0.672 20 0 DBADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419404771 393572728 /nfs/dbraw/zinc/57/27/28/393572728.db2.gz GSDDVCHFDWRUBJ-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419405565 393573204 /nfs/dbraw/zinc/57/32/04/393573204.db2.gz HUPJCVAZDOCVQI-ZIAGYGMSSA-N 1 3 310.442 -0.050 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000419403897 393573295 /nfs/dbraw/zinc/57/32/95/393573295.db2.gz FOZVEQRBBKHEAA-CYBMUJFWSA-N 1 3 312.414 -0.979 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)C1 ZINC000419409232 393573588 /nfs/dbraw/zinc/57/35/88/393573588.db2.gz MPHAIZYXHDOGEG-MGPQQGTHSA-N 1 3 310.442 -0.051 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000419416599 393575349 /nfs/dbraw/zinc/57/53/49/393575349.db2.gz WLPARDDBRNOMFG-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000419428627 393577013 /nfs/dbraw/zinc/57/70/13/393577013.db2.gz UAAJMIJRZFYWKU-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000423583228 393601302 /nfs/dbraw/zinc/60/13/02/393601302.db2.gz BVNHLNNEYLJIBI-OLZOCXBDSA-N 1 3 312.414 -0.886 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419443624 393579029 /nfs/dbraw/zinc/57/90/29/393579029.db2.gz BMYWPPQHXCBEMB-STQMWFEESA-N 1 3 314.430 -0.815 20 0 DBADHO CCN(CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C1CC1 ZINC000419525298 393586121 /nfs/dbraw/zinc/58/61/21/393586121.db2.gz RMFOZFJQLRZCNU-CHWSQXEVSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)N(C)C1CC1 ZINC000419592043 393590492 /nfs/dbraw/zinc/59/04/92/393590492.db2.gz RMYPDQDQAVGAFI-JHJVBQTASA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C1CC1 ZINC000419584591 393590573 /nfs/dbraw/zinc/59/05/73/393590573.db2.gz KZMBUKKAVLMTDU-UPJWGTAASA-N 1 3 308.426 -0.062 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000419590304 393590936 /nfs/dbraw/zinc/59/09/36/393590936.db2.gz UEASTXMMGCRVBA-BXUZGUMPSA-N 1 3 314.455 -0.640 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@H]1C[NH3+] ZINC000423718706 393614217 /nfs/dbraw/zinc/61/42/17/393614217.db2.gz DHFQFPLBNXLVNV-MGPQQGTHSA-N 1 3 310.442 -0.018 20 0 DBADHO COCCN(CCN(C)C)C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000423734977 393617183 /nfs/dbraw/zinc/61/71/83/393617183.db2.gz BPVBVTQEIQRFBH-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO COCCCN(C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424140436 393629017 /nfs/dbraw/zinc/62/90/17/393629017.db2.gz FZYCHEFAKJXOSH-CYBMUJFWSA-N 1 3 324.429 -0.099 20 0 DBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3COCCN3)C2)CC1 ZINC000645978139 393737777 /nfs/dbraw/zinc/73/77/77/393737777.db2.gz UEALQRNNRLPEIL-KBPBESRZSA-N 1 3 310.442 -0.350 20 0 DBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@H]3COCCN3)C2)CC1 ZINC000645978139 393737779 /nfs/dbraw/zinc/73/77/79/393737779.db2.gz UEALQRNNRLPEIL-KBPBESRZSA-N 1 3 310.442 -0.350 20 0 DBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@H]3COCCN3)C2)CC1 ZINC000645978139 393737782 /nfs/dbraw/zinc/73/77/82/393737782.db2.gz UEALQRNNRLPEIL-KBPBESRZSA-N 1 3 310.442 -0.350 20 0 DBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)C1 ZINC000646003252 393739579 /nfs/dbraw/zinc/73/95/79/393739579.db2.gz YCXJWXYGZJYCFX-HOTGVXAUSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)C1 ZINC000646003252 393739583 /nfs/dbraw/zinc/73/95/83/393739583.db2.gz YCXJWXYGZJYCFX-HOTGVXAUSA-N 1 3 324.469 -0.007 20 0 DBADHO COC[C@]1(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[NH2+]C1 ZINC000646002915 393739981 /nfs/dbraw/zinc/73/99/81/393739981.db2.gz JNDNHDGJFGUMGL-RDJZCZTQSA-N 1 3 324.469 -0.149 20 0 DBADHO COC[C@@]1(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[NH2+]C1 ZINC000646002913 393740102 /nfs/dbraw/zinc/74/01/02/393740102.db2.gz JNDNHDGJFGUMGL-DOTOQJQBSA-N 1 3 324.469 -0.149 20 0 DBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)C1 ZINC000646003254 393740235 /nfs/dbraw/zinc/74/02/35/393740235.db2.gz YCXJWXYGZJYCFX-JKSUJKDBSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)C1 ZINC000646003254 393740239 /nfs/dbraw/zinc/74/02/39/393740239.db2.gz YCXJWXYGZJYCFX-JKSUJKDBSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@H](C[NH3+])C1 ZINC000261930457 296533744 /nfs/dbraw/zinc/53/37/44/296533744.db2.gz ZXCYWJAHMASKJC-RDBSUJKOSA-N 1 3 310.442 -0.018 20 0 DBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C1 ZINC000653125375 411646993 /nfs/dbraw/zinc/64/69/93/411646993.db2.gz XDDGWCMUIVLQOC-UXLLHSPISA-N 1 3 322.453 -0.539 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653125431 411647787 /nfs/dbraw/zinc/64/77/87/411647787.db2.gz ZKGZPWNJBNFOCN-VYDXJSESSA-N 1 3 324.469 -0.388 20 0 DBADHO C[C@H](CC[NH+](C)C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650781134 411687376 /nfs/dbraw/zinc/68/73/76/411687376.db2.gz RBUOGBVFYMECMP-CYBMUJFWSA-N 1 3 313.446 -0.258 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653271605 411693101 /nfs/dbraw/zinc/69/31/01/411693101.db2.gz BJRZUPSDOGOLGY-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NCCC2CC[NH2+]CC2)CC1=O ZINC000653271606 411693750 /nfs/dbraw/zinc/69/37/50/411693750.db2.gz BJRZUPSDOGOLGY-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622795 411807758 /nfs/dbraw/zinc/80/77/58/411807758.db2.gz UFGFAMXJLGAHQF-ZDUSSCGKSA-N 1 3 322.413 -0.406 20 0 DBADHO CN(C)CCn1cc(NC(=O)NCCCN2CC[NH2+]CC2)cn1 ZINC000652612133 411807791 /nfs/dbraw/zinc/80/77/91/411807791.db2.gz JMCHGDURMRMBCA-UHFFFAOYSA-N 1 3 323.445 -0.139 20 0 DBADHO CN(C)CCn1cc(NC(=O)NC[C@H]2C[NH2+]CCCO2)cn1 ZINC000652612443 411807887 /nfs/dbraw/zinc/80/78/87/411807887.db2.gz RXMNAGYSLLVYNO-CYBMUJFWSA-N 1 3 310.402 -0.055 20 0 DBADHO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652623687 411808865 /nfs/dbraw/zinc/80/88/65/411808865.db2.gz PBARCDOFMBRFCH-JQWIXIFHSA-N 1 3 308.386 -0.669 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000659507909 411828055 /nfs/dbraw/zinc/82/80/55/411828055.db2.gz LZYWQFFRPLWDAI-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)CCO1 ZINC000659554469 411835667 /nfs/dbraw/zinc/83/56/67/411835667.db2.gz NBNJFLMMLIGWDX-KGLIPLIRSA-N 1 3 314.430 -0.273 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659638605 411854360 /nfs/dbraw/zinc/85/43/60/411854360.db2.gz UFGOFDLHNIMRHR-CHWSQXEVSA-N 1 3 311.430 -0.458 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000659644411 411856044 /nfs/dbraw/zinc/85/60/44/411856044.db2.gz XBRSJXYBZKRXOZ-ZDUSSCGKSA-N 1 3 313.446 -0.114 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659647611 411857433 /nfs/dbraw/zinc/85/74/33/411857433.db2.gz WCMICJWFFBGHEX-CYBMUJFWSA-N 1 3 311.430 -0.456 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000659674938 411860192 /nfs/dbraw/zinc/86/01/92/411860192.db2.gz PQIWDVBHNJROFQ-HIFRSBDPSA-N 1 3 320.437 0.000 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659679586 411861220 /nfs/dbraw/zinc/86/12/20/411861220.db2.gz AEYISPWHVXVHGU-UHFFFAOYSA-N 1 3 314.430 -0.591 20 0 DBADHO [NH3+]CCn1cc(C(=O)Nc2ccc(N3CCNCC3)cn2)nn1 ZINC000659294502 411887650 /nfs/dbraw/zinc/88/76/50/411887650.db2.gz KYEBCDVFABTASP-UHFFFAOYSA-N 1 3 316.369 -0.706 20 0 DBADHO COCCN(C)C[C@@H](O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777351 411906063 /nfs/dbraw/zinc/90/60/63/411906063.db2.gz MCCAPGZTPVMWGD-OAHLLOKOSA-N 1 3 315.458 -0.278 20 0 DBADHO COC[C@H]1C[C@@H](O)CN1C/C=C\C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764061 411917517 /nfs/dbraw/zinc/91/75/17/411917517.db2.gz OVJHXXXSFYTUCN-DYMJSYIFSA-N 1 3 314.426 -0.294 20 0 DBADHO COC[C@H]1C[C@@H](O)CN1C/C=C\C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764061 411917522 /nfs/dbraw/zinc/91/75/22/411917522.db2.gz OVJHXXXSFYTUCN-DYMJSYIFSA-N 1 3 314.426 -0.294 20 0 DBADHO COC[C@@H]1C[C@@H](O)CN1C/C=C\C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649744143 411917829 /nfs/dbraw/zinc/91/78/29/411917829.db2.gz OVJHXXXSFYTUCN-CUDBNVGUSA-N 1 3 314.426 -0.294 20 0 DBADHO COC[C@@H]1C[C@@H](O)CN1C/C=C\C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649744143 411917835 /nfs/dbraw/zinc/91/78/35/411917835.db2.gz OVJHXXXSFYTUCN-CUDBNVGUSA-N 1 3 314.426 -0.294 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000653542459 411876998 /nfs/dbraw/zinc/87/69/98/411876998.db2.gz RABUKXMFFXZJKP-XHSDSOJGSA-N 1 3 315.458 -0.544 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000653542459 411877003 /nfs/dbraw/zinc/87/70/03/411877003.db2.gz RABUKXMFFXZJKP-XHSDSOJGSA-N 1 3 315.458 -0.544 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656021770 411989411 /nfs/dbraw/zinc/98/94/11/411989411.db2.gz JOVVVKDMPJTEBO-MJBXVCDLSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656023969 411989424 /nfs/dbraw/zinc/98/94/24/411989424.db2.gz JSIGEEUOWBZATF-MJBXVCDLSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656023969 411989428 /nfs/dbraw/zinc/98/94/28/411989428.db2.gz JSIGEEUOWBZATF-MJBXVCDLSA-N 1 3 324.425 -0.776 20 0 DBADHO [NH3+][C@@H]1CCC[C@@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000656197459 411998404 /nfs/dbraw/zinc/99/84/04/411998404.db2.gz KWBYMYUYRWLVFN-RBSFLKMASA-N 1 3 310.442 -0.221 20 0 DBADHO [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000656197458 411998507 /nfs/dbraw/zinc/99/85/07/411998507.db2.gz KWBYMYUYRWLVFN-QLFBSQMISA-N 1 3 310.442 -0.221 20 0 DBADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000126236933 411946179 /nfs/dbraw/zinc/94/61/79/411946179.db2.gz YDSDXBZIPJLGDR-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO CCn1ccc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000657839255 412044287 /nfs/dbraw/zinc/04/42/87/412044287.db2.gz QAMDOGWDXAPLCC-UHFFFAOYSA-N 1 3 324.429 -0.207 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000659358900 412085494 /nfs/dbraw/zinc/08/54/94/412085494.db2.gz PKYVSEVDHVNLGP-XJKSGUPXSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000659359945 412085514 /nfs/dbraw/zinc/08/55/14/412085514.db2.gz XPKFELRKMFXJPD-GFCCVEGCSA-N 1 3 316.471 -0.440 20 0 DBADHO CC1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC[NH2+]CC1 ZINC000659528685 412092168 /nfs/dbraw/zinc/09/21/68/412092168.db2.gz GGXAKCDPKXPHED-UHFFFAOYSA-N 1 3 308.386 -0.170 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[NH2+]1 ZINC000659538688 412092469 /nfs/dbraw/zinc/09/24/69/412092469.db2.gz BACGASPKLRIKTC-OLZOCXBDSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@]1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCC[NH2+]C1 ZINC000659529056 412092485 /nfs/dbraw/zinc/09/24/85/412092485.db2.gz IPHSZYNNZWFLBZ-AWEZNQCLSA-N 1 3 308.386 -0.170 20 0 DBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659694720 412106008 /nfs/dbraw/zinc/10/60/08/412106008.db2.gz NFJLJXZBRGWZRV-OJAKKHQRSA-N 1 3 312.389 -0.517 20 0 DBADHO C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659694720 412106013 /nfs/dbraw/zinc/10/60/13/412106013.db2.gz NFJLJXZBRGWZRV-OJAKKHQRSA-N 1 3 312.389 -0.517 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000659702667 412109011 /nfs/dbraw/zinc/10/90/11/412109011.db2.gz VLKBMJMAXOWEMC-MFKMUULPSA-N 1 3 302.444 -0.736 20 0 DBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000662929842 412214479 /nfs/dbraw/zinc/21/44/79/412214479.db2.gz JXJCUINHYFONPU-MFOWVQHXSA-N 1 3 306.410 -0.367 20 0 DBADHO CC(C)OC[C@H](N)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000662479303 412186488 /nfs/dbraw/zinc/18/64/88/412186488.db2.gz FUDKDNBSKXPNBH-KGLIPLIRSA-N 1 3 300.447 -0.262 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cn1 ZINC000662747162 412198156 /nfs/dbraw/zinc/19/81/56/412198156.db2.gz YMNBWITXZHMTOO-XYPYZODXSA-N 1 3 308.386 -0.763 20 0 DBADHO [NH3+]C1(CNC(=O)C2(O)CNC2)CCN(Cc2ccccc2)CC1 ZINC000662817222 412204372 /nfs/dbraw/zinc/20/43/72/412204372.db2.gz RSGZTNLVPMLBBO-UHFFFAOYSA-N 1 3 318.421 -0.570 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCCN2CCCC[C@H]12 ZINC000662836601 412206583 /nfs/dbraw/zinc/20/65/83/412206583.db2.gz BKWGJPZODSDPJY-MELADBBJSA-N 1 3 308.426 -0.012 20 0 DBADHO CN(C(=O)C[C@@H]1COCCN1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899474 412209202 /nfs/dbraw/zinc/20/92/02/412209202.db2.gz DILBBTGSFGELHP-GDBMZVCRSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C(=O)C[C@@H]1COCCN1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899474 412209205 /nfs/dbraw/zinc/20/92/05/412209205.db2.gz DILBBTGSFGELHP-GDBMZVCRSA-N 1 3 324.469 -0.008 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000662930816 412213188 /nfs/dbraw/zinc/21/31/88/412213188.db2.gz WBQGBVCYTQRQLW-UHFFFAOYSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+](C[C@@H]1CCC2(CNC2)O1)C1CCN(S(C)(=O)=O)CC1 ZINC000662258887 412173563 /nfs/dbraw/zinc/17/35/63/412173563.db2.gz NMHVSOOEXQRRMQ-ZDUSSCGKSA-N 1 3 317.455 -0.137 20 0 DBADHO C[N@@H+](C[C@@H]1CCC2(CNC2)O1)C1CCN(S(C)(=O)=O)CC1 ZINC000662258887 412173567 /nfs/dbraw/zinc/17/35/67/412173567.db2.gz NMHVSOOEXQRRMQ-ZDUSSCGKSA-N 1 3 317.455 -0.137 20 0 DBADHO CC(C)(C)n1nnc(CCN2CC[C@@H](N3CC[NH2+]CC3)C2)n1 ZINC000662278047 412174187 /nfs/dbraw/zinc/17/41/87/412174187.db2.gz ZYRQPDPQLWXGKI-CYBMUJFWSA-N 1 3 307.446 -0.050 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000664785984 412261174 /nfs/dbraw/zinc/26/11/74/412261174.db2.gz UUWLNRCFHPNJKW-MJBXVCDLSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000664785984 412261177 /nfs/dbraw/zinc/26/11/77/412261177.db2.gz UUWLNRCFHPNJKW-MJBXVCDLSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CC[N@@H+](CC[C@H](C)N2CC[C@H](C(=O)NC)C2)C1 ZINC000664785984 412261180 /nfs/dbraw/zinc/26/11/80/412261180.db2.gz UUWLNRCFHPNJKW-MJBXVCDLSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CC[N@H+](CC[C@H](C)N2CC[C@H](C(=O)NC)C2)C1 ZINC000664785984 412261184 /nfs/dbraw/zinc/26/11/84/412261184.db2.gz UUWLNRCFHPNJKW-MJBXVCDLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC4CC3(CN)C4)CC[C@H]21 ZINC000662944747 412217097 /nfs/dbraw/zinc/21/70/97/412217097.db2.gz SBVAHJIHBRHPSN-YXXKGXSTSA-N 1 3 320.437 -0.121 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC4CC3(CN)C4)CC[C@H]21 ZINC000662944747 412217099 /nfs/dbraw/zinc/21/70/99/412217099.db2.gz SBVAHJIHBRHPSN-YXXKGXSTSA-N 1 3 320.437 -0.121 20 0 DBADHO C[NH2+]CC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013942 412223504 /nfs/dbraw/zinc/22/35/04/412223504.db2.gz HOIHODREWQIAPM-GFCCVEGCSA-N 1 3 306.414 -0.255 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491553 412234601 /nfs/dbraw/zinc/23/46/01/412234601.db2.gz JBBRQEMJXHEKJF-HSMVNMDESA-N 1 3 309.410 -0.280 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491556 412234838 /nfs/dbraw/zinc/23/48/38/412234838.db2.gz JBBRQEMJXHEKJF-XHBSWPGZSA-N 1 3 309.410 -0.280 20 0 DBADHO CNC(=O)CCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663744391 412240231 /nfs/dbraw/zinc/24/02/31/412240231.db2.gz LKIDWAAABPNTAW-LBPRGKRZSA-N 1 3 301.435 -0.306 20 0 DBADHO CNC(=O)CCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663744391 412240233 /nfs/dbraw/zinc/24/02/33/412240233.db2.gz LKIDWAAABPNTAW-LBPRGKRZSA-N 1 3 301.435 -0.306 20 0 DBADHO CN(C)CCn1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)n1 ZINC000343792334 412292523 /nfs/dbraw/zinc/29/25/23/412292523.db2.gz PCAGBUKUXQHKOT-YHWZYXNKSA-N 1 3 319.409 0.198 20 0 DBADHO CN1CC[C@@](O)(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000358458034 412294089 /nfs/dbraw/zinc/29/40/89/412294089.db2.gz BZWPUAYUWFNGRE-CQSZACIVSA-N 1 3 310.402 -0.367 20 0 DBADHO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@H]1C[NH3+] ZINC000429183121 287334590 /nfs/dbraw/zinc/33/45/90/287334590.db2.gz FAVOHSCFPDIZBG-MCIONIFRSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)CCC(N)=O ZINC000665762622 418941688 /nfs/dbraw/zinc/94/16/88/418941688.db2.gz KTJJSZVHKSZSON-LBPRGKRZSA-N 1 3 301.435 -0.225 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)CCC(N)=O ZINC000665762622 418941693 /nfs/dbraw/zinc/94/16/93/418941693.db2.gz KTJJSZVHKSZSON-LBPRGKRZSA-N 1 3 301.435 -0.225 20 0 DBADHO CN1CCC[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000669403256 544561658 /nfs/dbraw/zinc/56/16/58/544561658.db2.gz QIXVQORHOQZJRB-CHWSQXEVSA-N 1 3 311.430 -0.423 20 0 DBADHO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000237908892 544611653 /nfs/dbraw/zinc/61/16/53/544611653.db2.gz RRARHVMUJSZMBJ-UONOGXRCSA-N 1 3 308.426 -0.120 20 0 DBADHO CCN1CCO[C@H](C(=O)NCCCN2CCC[N@H+](C)CC2)C1 ZINC000673671235 544808024 /nfs/dbraw/zinc/80/80/24/544808024.db2.gz WCHRISZDPLJCBU-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO CCN1CCO[C@H](C(=O)NCCCN2CCC[N@@H+](C)CC2)C1 ZINC000673671235 544808029 /nfs/dbraw/zinc/80/80/29/544808029.db2.gz WCHRISZDPLJCBU-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO CCN1CCO[C@H](C(=O)NCCC[N@@H+]2CCCN(C)CC2)C1 ZINC000673671235 544808032 /nfs/dbraw/zinc/80/80/32/544808032.db2.gz WCHRISZDPLJCBU-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO CCN1CCO[C@H](C(=O)NCCC[N@H+]2CCCN(C)CC2)C1 ZINC000673671235 544808038 /nfs/dbraw/zinc/80/80/38/544808038.db2.gz WCHRISZDPLJCBU-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO CN(CCNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1)C1CC1 ZINC000676096710 544857385 /nfs/dbraw/zinc/85/73/85/544857385.db2.gz OPOQOVVCKXDXDO-UHFFFAOYSA-N 1 3 322.413 -0.406 20 0 DBADHO C[NH+](C)CCn1cc(NC(=O)[C@@H]2CN3CCN2CCC3)cn1 ZINC000677874267 544898630 /nfs/dbraw/zinc/89/86/30/544898630.db2.gz NHLMTMDXETVKRC-AWEZNQCLSA-N 1 3 306.414 -0.227 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419289104 265779966 /nfs/dbraw/zinc/77/99/66/265779966.db2.gz SPAAUUVBWHOYPO-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCC1 ZINC000423565994 265898974 /nfs/dbraw/zinc/89/89/74/265898974.db2.gz BTAHLZSSHZUMAI-LBPRGKRZSA-N 1 3 312.414 -0.885 20 0 DBADHO C[NH2+]CC1CCN([C@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000430919142 266015232 /nfs/dbraw/zinc/01/52/32/266015232.db2.gz JXSSRIPZIUNYLP-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO COCC[C@@]1(C(=O)NCCCN2CCN(C)CC2)CC[NH2+]C1 ZINC000431003264 266016400 /nfs/dbraw/zinc/01/64/00/266016400.db2.gz CTAHTSLTRIBXNX-INIZCTEOSA-N 1 3 312.458 -0.244 20 0 DBADHO CC(C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000434702864 266056302 /nfs/dbraw/zinc/05/63/02/266056302.db2.gz OCWXRZVIAXEINO-WDEREUQCSA-N 1 3 319.427 -0.734 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1=O ZINC000442603495 266126554 /nfs/dbraw/zinc/12/65/54/266126554.db2.gz VRHMLESPZMCSEI-UONOGXRCSA-N 1 3 310.442 -0.016 20 0 DBADHO CN1C[C@H](CN2CCC(C(=O)NCC[NH+](C)C)CC2)OC1=O ZINC000495796783 266218566 /nfs/dbraw/zinc/21/85/66/266218566.db2.gz YKGFRRSNYCSJOV-CYBMUJFWSA-N 1 3 312.414 -0.173 20 0 DBADHO COc1ccc([C@H](C[NH3+])CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000515171528 266268832 /nfs/dbraw/zinc/26/88/32/266268832.db2.gz QXMKKVMFBVTPTB-YCPHGPKFSA-N 1 3 318.421 -0.019 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000517123448 266290361 /nfs/dbraw/zinc/29/03/61/266290361.db2.gz LUJMEJMVXSWCHR-APIJFGDWSA-N 1 3 320.437 -0.251 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000517224897 266291128 /nfs/dbraw/zinc/29/11/28/266291128.db2.gz FJEYHBLPAMCPMO-CHWSQXEVSA-N 1 3 300.403 -0.534 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000521070850 266324639 /nfs/dbraw/zinc/32/46/39/266324639.db2.gz NAPYCSKXZBJAJF-MJBXVCDLSA-N 1 3 317.393 -0.360 20 0 DBADHO CNC(=O)CCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000524936137 266344033 /nfs/dbraw/zinc/34/40/33/266344033.db2.gz SICMFLMGCDDKCL-UHFFFAOYSA-N 1 3 301.435 -0.353 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nnc2n1CCC2 ZINC000524935532 266344135 /nfs/dbraw/zinc/34/41/35/266344135.db2.gz MSAPUWBOUOEOBX-UHFFFAOYSA-N 1 3 323.445 -0.141 20 0 DBADHO Cc1c(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1C ZINC000525882643 266349276 /nfs/dbraw/zinc/34/92/76/266349276.db2.gz ALPKFQSOFJBNIO-UHFFFAOYSA-N 1 3 324.429 -0.381 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529312147 266386093 /nfs/dbraw/zinc/38/60/93/266386093.db2.gz YSXDXEXXNSJATK-GFCCVEGCSA-N 1 3 300.403 -0.486 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000362924605 288083710 /nfs/dbraw/zinc/08/37/10/288083710.db2.gz YZFMAOFJOGYVTH-QLFBSQMISA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000362924605 288083713 /nfs/dbraw/zinc/08/37/13/288083713.db2.gz YZFMAOFJOGYVTH-QLFBSQMISA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000331417445 288115083 /nfs/dbraw/zinc/11/50/83/288115083.db2.gz SUQCPLJJJOTMGR-BNOWGMLFSA-N 1 3 308.426 -0.075 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000459893508 289127012 /nfs/dbraw/zinc/12/70/12/289127012.db2.gz HCQNYTVZFRPWDY-INIZCTEOSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000459893508 289127014 /nfs/dbraw/zinc/12/70/14/289127014.db2.gz HCQNYTVZFRPWDY-INIZCTEOSA-N 1 3 310.442 -0.049 20 0 DBADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@H]([NH+](C)C)C3)C[C@H]21 ZINC000410465264 289367871 /nfs/dbraw/zinc/36/78/71/289367871.db2.gz GCIVWMHSLNJFRR-MELADBBJSA-N 1 3 308.426 -0.299 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000351546375 295517428 /nfs/dbraw/zinc/51/74/28/295517428.db2.gz YZQOGSXNVJZNJI-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@H]1C ZINC000332570548 297104606 /nfs/dbraw/zinc/10/46/06/297104606.db2.gz CPRIBIACYBRNCN-MQYQWHSLSA-N 1 3 308.426 -0.204 20 0 DBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000193705977 303372874 /nfs/dbraw/zinc/37/28/74/303372874.db2.gz ZPXDMUUUVBESIB-FZMZJTMJSA-N 1 3 300.378 -0.466 20 0 DBADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3COCCN3)C2)CC1 ZINC000570512146 332766834 /nfs/dbraw/zinc/76/68/34/332766834.db2.gz CPJNINAOWNKOKO-HOTGVXAUSA-N 1 3 324.469 -0.008 20 0 DBADHO CC[NH+](CC)CCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568648035 331793471 /nfs/dbraw/zinc/79/34/71/331793471.db2.gz BRNAPVYXDDXWLK-OLZOCXBDSA-N 1 3 311.430 -0.328 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCCCC3)CCN2C1=O ZINC000569380542 332069420 /nfs/dbraw/zinc/06/94/20/332069420.db2.gz HABUSFCJHWSYCY-RYUDHWBXSA-N 1 3 309.414 -0.399 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000572593274 332125260 /nfs/dbraw/zinc/12/52/60/332125260.db2.gz AZSJVUILJRTAPG-BFHYXJOUSA-N 1 3 306.410 -0.639 20 0 DBADHO CN(CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[NH3+])C1 ZINC000583392290 332382551 /nfs/dbraw/zinc/38/25/51/332382551.db2.gz BNLXXNAZPPTIII-HNNXBMFYSA-N 1 3 318.421 -0.163 20 0 DBADHO N[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000583392209 332382575 /nfs/dbraw/zinc/38/25/75/332382575.db2.gz YSMFXBPEJVJOHW-MCIONIFRSA-N 1 3 302.378 -0.673 20 0 DBADHO CCO[C@@H]1C[C@](N)(C(=O)NCCCN2CC[NH2+]CC2)C1(C)C ZINC000187167378 332959940 /nfs/dbraw/zinc/95/99/40/332959940.db2.gz JBGQNDLGMIBVIJ-CJNGLKHVSA-N 1 3 312.458 -0.070 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000580182144 332989101 /nfs/dbraw/zinc/98/91/01/332989101.db2.gz JKZAGGHEEBCHKV-MELADBBJSA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580301678 333080182 /nfs/dbraw/zinc/08/01/82/333080182.db2.gz NXCTXENVKXMOIZ-NWDGAFQWSA-N 1 3 314.430 -0.374 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000583015005 337229258 /nfs/dbraw/zinc/22/92/58/337229258.db2.gz CGIKKRQTQMTIAO-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO C[NH+]1CCC(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000584541393 337359881 /nfs/dbraw/zinc/35/98/81/337359881.db2.gz GJOLWJDTECTMHT-KBPBESRZSA-N 1 3 323.441 -0.328 20 0 DBADHO C[NH+]1CCC(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000584541395 337359887 /nfs/dbraw/zinc/35/98/87/337359887.db2.gz GJOLWJDTECTMHT-UONOGXRCSA-N 1 3 323.441 -0.328 20 0 DBADHO COCC[NH2+]C1CCN(C(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000568094768 341650923 /nfs/dbraw/zinc/65/09/23/341650923.db2.gz MSACHPJLIMUJSE-UHFFFAOYSA-N 1 3 314.430 -0.767 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000573817726 341740355 /nfs/dbraw/zinc/74/03/55/341740355.db2.gz ZQAUIWSUCSXZPF-MGPQQGTHSA-N 1 3 302.378 -0.153 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)CCN2C1=O ZINC000574704937 341766596 /nfs/dbraw/zinc/76/65/96/341766596.db2.gz SPPRJACDQMMVKD-AEGPPILISA-N 1 3 314.389 -0.356 20 0 DBADHO CCNC(=O)NC(=O)CN(C)CCCN(C)CC[NH+](C)C ZINC000344032178 521740851 /nfs/dbraw/zinc/74/08/51/521740851.db2.gz POLBVRUYIGKEQJ-UHFFFAOYSA-N 1 3 301.435 -0.353 20 0 DBADHO C[C@@H](CNC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])N(C)C ZINC000418250961 533918775 /nfs/dbraw/zinc/91/87/75/533918775.db2.gz HRNHLNZKHNEUSW-STQMWFEESA-N 1 3 313.446 -0.034 20 0 DBADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419950349 518184741 /nfs/dbraw/zinc/18/47/41/518184741.db2.gz MDWATZHTFSKMBO-BFHYXJOUSA-N 1 3 308.426 -0.060 20 0 DBADHO CCCN(C(=O)C(=O)N1CCN2CCC[C@H]2C1)[C@H]1CC[NH2+]C1 ZINC000332113616 521413512 /nfs/dbraw/zinc/41/35/12/521413512.db2.gz HBWMQRRUAVRSPN-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332631793 521568971 /nfs/dbraw/zinc/56/89/71/521568971.db2.gz WRBTVCPUFAPOSM-CQSZACIVSA-N 1 3 308.426 -0.107 20 0 DBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000331444005 521626347 /nfs/dbraw/zinc/62/63/47/521626347.db2.gz IKEMXKRQKDFTOM-RRFJBIMHSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000331444000 521627155 /nfs/dbraw/zinc/62/71/55/521627155.db2.gz IKEMXKRQKDFTOM-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000247445736 521634241 /nfs/dbraw/zinc/63/42/41/521634241.db2.gz YDSDXBZIPJLGDR-HZSPNIEDSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC([NH+](C)C)CC2)CC1=O ZINC000345766709 521770089 /nfs/dbraw/zinc/77/00/89/521770089.db2.gz NUWWPQGAUGYELS-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1=O ZINC000368216655 521771585 /nfs/dbraw/zinc/77/15/85/521771585.db2.gz RVCOFWBYTFGOND-QWHCGFSZSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CN2CCC1CC2 ZINC000346960562 521772630 /nfs/dbraw/zinc/77/26/30/521772630.db2.gz FKRZTVLHJOODBF-HUUCEWRRSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)[C@]1(CNC(=O)N2CCO[C@@H](C[NH3+])C2)CCSC1 ZINC000333356674 522109724 /nfs/dbraw/zinc/10/97/24/522109724.db2.gz KJRJGOWFLIRIHE-AAEUAGOBSA-N 1 3 302.444 -0.207 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000331699311 523485212 /nfs/dbraw/zinc/48/52/12/523485212.db2.gz ZCSGVTMDVCFKBB-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333742723 523819203 /nfs/dbraw/zinc/81/92/03/523819203.db2.gz XUMUUDXBPJKQGY-UONOGXRCSA-N 1 3 323.441 -0.314 20 0 DBADHO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000343874650 523843918 /nfs/dbraw/zinc/84/39/18/523843918.db2.gz UQDGJKXXIYSIFM-AWEZNQCLSA-N 1 3 308.426 -0.153 20 0 DBADHO C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000343874650 523843924 /nfs/dbraw/zinc/84/39/24/523843924.db2.gz UQDGJKXXIYSIFM-AWEZNQCLSA-N 1 3 308.426 -0.153 20 0 DBADHO C[C@H](C[NH+](C)C)NC(=O)COCC(=O)N[C@@H](C)CN(C)C ZINC000346175483 524290012 /nfs/dbraw/zinc/29/00/12/524290012.db2.gz ZETGUFKQBKQXEN-TXEJJXNPSA-N 1 3 302.419 -0.864 20 0 DBADHO C[C@H](CN(C)C)NC(=O)COCC(=O)N[C@@H](C)C[NH+](C)C ZINC000346175483 524290020 /nfs/dbraw/zinc/29/00/20/524290020.db2.gz ZETGUFKQBKQXEN-TXEJJXNPSA-N 1 3 302.419 -0.864 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C[C@H]1C[NH3+] ZINC000332671740 524434866 /nfs/dbraw/zinc/43/48/66/524434866.db2.gz SBTUCBNCGOZZHF-MCIONIFRSA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000332085047 525084682 /nfs/dbraw/zinc/08/46/82/525084682.db2.gz FKKNFDDPMSKFKF-XJFOESAGSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@]1(CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)CCC[NH2+]C1 ZINC000332111893 525247309 /nfs/dbraw/zinc/24/73/09/525247309.db2.gz CIRTUBVVPVOLGW-BBRMVZONSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331656041 526389399 /nfs/dbraw/zinc/38/93/99/526389399.db2.gz WJVWNEREMRGQNX-ZIAGYGMSSA-N 1 3 308.426 -0.201 20 0 DBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332551365 527208826 /nfs/dbraw/zinc/20/88/26/527208826.db2.gz JVLCXBCAEUKUJT-MJBXVCDLSA-N 1 3 308.426 -0.073 20 0 DBADHO CC(C)([NH3+])CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418411082 527246690 /nfs/dbraw/zinc/24/66/90/527246690.db2.gz FBXGJPRNVSZXFK-UHFFFAOYSA-N 1 3 311.430 -0.327 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCCC[NH2+]C3)C[C@H]2N)cn1 ZINC000333595305 527303395 /nfs/dbraw/zinc/30/33/95/527303395.db2.gz PRHLWTASNYSKES-MELADBBJSA-N 1 3 306.414 -0.002 20 0 DBADHO [NH3+][C@@H](CC(F)F)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000345821622 527329183 /nfs/dbraw/zinc/32/91/83/527329183.db2.gz UIZMQKBKBPEVLC-NSHDSACASA-N 1 3 318.368 -0.265 20 0 DBADHO C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498520 665456026 /nfs/dbraw/zinc/45/60/26/665456026.db2.gz HQCQJUCGIGQWGZ-DGNOSDGRSA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498520 665456031 /nfs/dbraw/zinc/45/60/31/665456031.db2.gz HQCQJUCGIGQWGZ-DGNOSDGRSA-N 1 3 323.437 -0.235 20 0 DBADHO CN(C[C@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000977749593 665497730 /nfs/dbraw/zinc/49/77/30/665497730.db2.gz BPXOBNQWBVQQLE-TZMCWYRMSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C[C@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000977749593 665497731 /nfs/dbraw/zinc/49/77/31/665497731.db2.gz BPXOBNQWBVQQLE-TZMCWYRMSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980391978 665756571 /nfs/dbraw/zinc/75/65/71/665756571.db2.gz URXCUOBSCWMBOG-KBPBESRZSA-N 1 3 306.414 -0.238 20 0 DBADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980391978 665756576 /nfs/dbraw/zinc/75/65/76/665756576.db2.gz URXCUOBSCWMBOG-KBPBESRZSA-N 1 3 306.414 -0.238 20 0 DBADHO O=C(NC[C@H]1CCCN1CCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037364 665826896 /nfs/dbraw/zinc/82/68/96/665826896.db2.gz VYQCMAIWEDJPBK-MYMJJRTCSA-N 1 3 309.410 -0.578 20 0 DBADHO O=C(NC[C@H]1CCCN1CCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037364 665826897 /nfs/dbraw/zinc/82/68/97/665826897.db2.gz VYQCMAIWEDJPBK-MYMJJRTCSA-N 1 3 309.410 -0.578 20 0 DBADHO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CN(CCCO)C1 ZINC000969688709 663856763 /nfs/dbraw/zinc/85/67/63/663856763.db2.gz YAAJZYALPQRCOP-ZDUSSCGKSA-N 1 3 323.441 -0.123 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020584996 663869051 /nfs/dbraw/zinc/86/90/51/663869051.db2.gz BTPMJQFELRWZRP-IHRRRGAJSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001020588576 663870121 /nfs/dbraw/zinc/87/01/21/663870121.db2.gz GBEOURSPHRAAKV-IHRRRGAJSA-N 1 3 323.441 -0.410 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020586752 663870501 /nfs/dbraw/zinc/87/05/01/663870501.db2.gz YGNNEWFVFJWWEO-LPWJVIDDSA-N 1 3 322.409 -0.487 20 0 DBADHO C[C@H](NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN(CCO)C1 ZINC000970168782 663934431 /nfs/dbraw/zinc/93/44/31/663934431.db2.gz HBJQFYZCLNICNM-CVGUKDDFSA-N 1 3 309.410 -0.722 20 0 DBADHO C[C@H](NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CCO)C1 ZINC000970168782 663934437 /nfs/dbraw/zinc/93/44/37/663934437.db2.gz HBJQFYZCLNICNM-CVGUKDDFSA-N 1 3 309.410 -0.722 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001021096325 663949226 /nfs/dbraw/zinc/94/92/26/663949226.db2.gz NZJSRQLFOZDSSB-SYQHCUMBSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC000970231547 663950405 /nfs/dbraw/zinc/95/04/05/663950405.db2.gz SMQCORQNKWSJOT-WCQYABFASA-N 1 3 322.413 -0.877 20 0 DBADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)CC1 ZINC000970333883 663971610 /nfs/dbraw/zinc/97/16/10/663971610.db2.gz CEIKSJMMFGFYEO-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](O)CN1CC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970558284 664006773 /nfs/dbraw/zinc/00/67/73/664006773.db2.gz BBRFNKDHLIFTQT-OLZOCXBDSA-N 1 3 323.441 -0.124 20 0 DBADHO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1CN(CCCO)C1 ZINC000970559717 664007762 /nfs/dbraw/zinc/00/77/62/664007762.db2.gz DIYHWEJKZQKCLH-CYBMUJFWSA-N 1 3 323.441 -0.123 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000970718455 664040764 /nfs/dbraw/zinc/04/07/64/664040764.db2.gz VIRZRCBQSFMAQD-NEPJUHHUSA-N 1 3 308.382 -0.922 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCn2cncn2)C1 ZINC000971200827 664123352 /nfs/dbraw/zinc/12/33/52/664123352.db2.gz JNFMTLSIQYRHQE-KBPBESRZSA-N 1 3 306.414 -0.095 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971200827 664123356 /nfs/dbraw/zinc/12/33/56/664123356.db2.gz JNFMTLSIQYRHQE-KBPBESRZSA-N 1 3 306.414 -0.095 20 0 DBADHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001022455657 664282629 /nfs/dbraw/zinc/28/26/29/664282629.db2.gz XNVZPRJGVWWZFV-YZFASBBZSA-N 1 3 309.410 -0.533 20 0 DBADHO C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968079 664305447 /nfs/dbraw/zinc/30/54/47/664305447.db2.gz BSWLGZGFOCFRKC-IQXANGCESA-N 1 3 309.410 -0.625 20 0 DBADHO C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968079 664305451 /nfs/dbraw/zinc/30/54/51/664305451.db2.gz BSWLGZGFOCFRKC-IQXANGCESA-N 1 3 309.410 -0.625 20 0 DBADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934269969 664324838 /nfs/dbraw/zinc/32/48/38/664324838.db2.gz RPBVCAXFVSRLMZ-XHSDSOJGSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934269969 664324843 /nfs/dbraw/zinc/32/48/43/664324843.db2.gz RPBVCAXFVSRLMZ-XHSDSOJGSA-N 1 3 315.458 -0.544 20 0 DBADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@@H]1CNCCO1 ZINC000892183520 664327066 /nfs/dbraw/zinc/32/70/66/664327066.db2.gz HOGDEAYKSABFSY-STQMWFEESA-N 1 3 312.414 -0.567 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)C[C@@H]1C(F)(F)F ZINC000892182982 664327462 /nfs/dbraw/zinc/32/74/62/664327462.db2.gz AKRSJKVQFYHIOX-BBBLOLIVSA-N 1 3 310.320 -0.247 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022712208 664338838 /nfs/dbraw/zinc/33/88/38/664338838.db2.gz MFLJHWOYSVEBOV-MELADBBJSA-N 1 3 306.414 -0.001 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001022712143 664338969 /nfs/dbraw/zinc/33/89/69/664338969.db2.gz JZBMGOYQMZUIFS-MELADBBJSA-N 1 3 323.441 -0.267 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022712730 664339230 /nfs/dbraw/zinc/33/92/30/664339230.db2.gz YGNNEWFVFJWWEO-FVCCEPFGSA-N 1 3 322.409 -0.487 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022719114 664342152 /nfs/dbraw/zinc/34/21/52/664342152.db2.gz HPZVPQVMXYMWCE-FMSGJZPZSA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022719114 664342153 /nfs/dbraw/zinc/34/21/53/664342153.db2.gz HPZVPQVMXYMWCE-FMSGJZPZSA-N 1 3 306.414 -0.250 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024179033 664879705 /nfs/dbraw/zinc/87/97/05/664879705.db2.gz IQPPOQHFCSFBRR-WCQYABFASA-N 1 3 305.382 -0.331 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCCCC1 ZINC000910947335 674661299 /nfs/dbraw/zinc/66/12/99/674661299.db2.gz WDXSRIMRRAHLTF-RFQIPJPRSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)N1CCCCC1 ZINC000910947339 674661643 /nfs/dbraw/zinc/66/16/43/674661643.db2.gz WDXSRIMRRAHLTF-YIYPIFLZSA-N 1 3 308.426 -0.014 20 0 DBADHO O=C(NC[C@@H]1CCCCN1CCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561694 664898666 /nfs/dbraw/zinc/89/86/66/664898666.db2.gz VQYPCFHZCDOILP-KRIMKBQASA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(NC[C@@H]1CCCCN1CCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561694 664898667 /nfs/dbraw/zinc/89/86/67/664898667.db2.gz VQYPCFHZCDOILP-KRIMKBQASA-N 1 3 323.437 -0.187 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911053567 674669406 /nfs/dbraw/zinc/66/94/06/674669406.db2.gz CCSBOPMMLQZCOR-IGQOVBAYSA-N 1 3 308.426 -0.014 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911053569 674669545 /nfs/dbraw/zinc/66/95/45/674669545.db2.gz CCSBOPMMLQZCOR-XJFOESAGSA-N 1 3 308.426 -0.014 20 0 DBADHO CN(CCNC(=O)C(=O)N1CCC[C@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000911053904 674670002 /nfs/dbraw/zinc/67/00/02/674670002.db2.gz RYSHRXUFEJCIBQ-BLLLJJGKSA-N 1 3 308.426 -0.073 20 0 DBADHO CN1CCN(C(=O)NC[C@H]2Cc3ccccc3CN2)[C@H](C[NH3+])C1 ZINC000892790097 665066375 /nfs/dbraw/zinc/06/63/75/665066375.db2.gz XCMNGOKCTLGGDV-HZPDHXFCSA-N 1 3 317.437 -0.015 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC[N@@H+]1C ZINC001025793971 665087541 /nfs/dbraw/zinc/08/75/41/665087541.db2.gz GCNOFBUMIQUDGE-HUXGKSLCSA-N 1 3 306.410 -0.739 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC001025793971 665087543 /nfs/dbraw/zinc/08/75/43/665087543.db2.gz GCNOFBUMIQUDGE-HUXGKSLCSA-N 1 3 306.410 -0.739 20 0 DBADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000911147457 674682384 /nfs/dbraw/zinc/68/23/84/674682384.db2.gz IGDAXZKKOGVMLZ-HZSPNIEDSA-N 1 3 324.425 -0.837 20 0 DBADHO CC1(C)CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@@H]1[NH3+] ZINC000911148137 674683090 /nfs/dbraw/zinc/68/30/90/674683090.db2.gz LUEKGNTYRVKJEY-XQQFMLRXSA-N 1 3 324.425 -0.839 20 0 DBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000911148179 674683236 /nfs/dbraw/zinc/68/32/36/674683236.db2.gz MGYFCYUYUQXLFS-RFQIPJPRSA-N 1 3 324.425 -0.791 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911162992 674684892 /nfs/dbraw/zinc/68/48/92/674684892.db2.gz VKCQADKVAUSPFA-IGQOVBAYSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001026045526 665120720 /nfs/dbraw/zinc/12/07/20/665120720.db2.gz DOSFTUSIOXMDEV-XPABHHOTSA-N 1 3 318.425 -0.478 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001026045526 665120722 /nfs/dbraw/zinc/12/07/22/665120722.db2.gz DOSFTUSIOXMDEV-XPABHHOTSA-N 1 3 318.425 -0.478 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026044753 665121081 /nfs/dbraw/zinc/12/10/81/665121081.db2.gz STLCAQZRRKXMFM-SSZWKKLZSA-N 1 3 320.437 -0.395 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026044753 665121083 /nfs/dbraw/zinc/12/10/83/665121083.db2.gz STLCAQZRRKXMFM-SSZWKKLZSA-N 1 3 320.437 -0.395 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911205816 674689155 /nfs/dbraw/zinc/68/91/55/674689155.db2.gz CDRMEMWSIGJXMJ-ZOBORPQBSA-N 1 3 308.426 -0.014 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NCC2([NH3+])CC2)CCSC1 ZINC000911197583 674693168 /nfs/dbraw/zinc/69/31/68/674693168.db2.gz APXMYQYZIQKFFL-ZDUSSCGKSA-N 1 3 300.428 -0.853 20 0 DBADHO C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)N1CCNCC1 ZINC000020567333 665229230 /nfs/dbraw/zinc/22/92/30/665229230.db2.gz RIJIIRQBPYLXAZ-ZDUSSCGKSA-N 1 3 304.460 -0.010 20 0 DBADHO C[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)N1CCNCC1 ZINC000020567333 665229231 /nfs/dbraw/zinc/22/92/31/665229231.db2.gz RIJIIRQBPYLXAZ-ZDUSSCGKSA-N 1 3 304.460 -0.010 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911224080 674695338 /nfs/dbraw/zinc/69/53/38/674695338.db2.gz VFKWJHREFQGVCO-BPLDGKMQSA-N 1 3 322.453 -0.051 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000911223668 674695469 /nfs/dbraw/zinc/69/54/69/674695469.db2.gz RCLJNVCPBBGMRC-RHSMWYFYSA-N 1 3 320.437 -0.059 20 0 DBADHO CC1(C)CN(CCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000974828044 665250517 /nfs/dbraw/zinc/25/05/17/665250517.db2.gz 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320.397 -0.074 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000851685038 805925345 /nfs/dbraw/zinc/92/53/45/805925345.db2.gz OUCCIOBSTAZOPW-OLZOCXBDSA-N 1 3 324.425 -0.647 20 0 DBADHO C[C@@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CCCCC1 ZINC000851686909 805926195 /nfs/dbraw/zinc/92/61/95/805926195.db2.gz JSJVNXQNWCXHJF-FUJMWEONSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cnnn1C ZINC000854065919 806025031 /nfs/dbraw/zinc/02/50/31/806025031.db2.gz QIWGRDAKQXHSGO-LBPRGKRZSA-N 1 3 311.434 -0.114 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cnnn1C ZINC000854065919 806025041 /nfs/dbraw/zinc/02/50/41/806025041.db2.gz QIWGRDAKQXHSGO-LBPRGKRZSA-N 1 3 311.434 -0.114 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1cnn(C)c1 ZINC000855346637 806074123 /nfs/dbraw/zinc/07/41/23/806074123.db2.gz HJAGMACSWLRMDH-JSGCOSHPSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H](O)c1cnn(C)c1 ZINC000855346637 806074133 /nfs/dbraw/zinc/07/41/33/806074133.db2.gz HJAGMACSWLRMDH-JSGCOSHPSA-N 1 3 311.430 -0.158 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861572049 806276026 /nfs/dbraw/zinc/27/60/26/806276026.db2.gz MJFCXQCGKLDXDX-KBPBESRZSA-N 1 3 314.430 -0.273 20 0 DBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000861762181 806290903 /nfs/dbraw/zinc/29/09/03/806290903.db2.gz SBUZZWZOPPIUBV-ZWNOBZJWSA-N 1 3 302.444 -0.655 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CCOC(=O)N1 ZINC000862167608 806313728 /nfs/dbraw/zinc/31/37/28/806313728.db2.gz YUNQWDWMLDAHQI-NWDGAFQWSA-N 1 3 300.403 -0.127 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CCOC(=O)N1 ZINC000862167608 806313737 /nfs/dbraw/zinc/31/37/37/806313737.db2.gz YUNQWDWMLDAHQI-NWDGAFQWSA-N 1 3 300.403 -0.127 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868421211 806555146 /nfs/dbraw/zinc/55/51/46/806555146.db2.gz JEUHZGDCCAANIF-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO 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CCN1CCN([C@H](C)CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876781938 806805631 /nfs/dbraw/zinc/80/56/31/806805631.db2.gz SFDYEICBZWXKTL-WOPDTQHZSA-N 1 3 304.385 -0.031 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876965920 806816619 /nfs/dbraw/zinc/81/66/19/806816619.db2.gz NFFWQWCQUTZYMB-YPMHNXCESA-N 1 3 302.394 -0.588 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000877344179 806833711 /nfs/dbraw/zinc/83/37/11/806833711.db2.gz VLMPAQJWIOWPFG-HOCLYGCPSA-N 1 3 318.421 -0.083 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584295 806931877 /nfs/dbraw/zinc/93/18/77/806931877.db2.gz HSSXKVCLCILILV-LSDHHAIUSA-N 1 3 316.442 -0.211 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584295 806931878 /nfs/dbraw/zinc/93/18/78/806931878.db2.gz HSSXKVCLCILILV-LSDHHAIUSA-N 1 3 316.442 -0.211 20 0 DBADHO CC(C)OCCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278084858 803752668 /nfs/dbraw/zinc/75/26/68/803752668.db2.gz HBBZNIVPDCYSAV-MGPQQGTHSA-N 1 3 301.431 -0.182 20 0 DBADHO CC(C)OCCN[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278084858 803752672 /nfs/dbraw/zinc/75/26/72/803752672.db2.gz HBBZNIVPDCYSAV-MGPQQGTHSA-N 1 3 301.431 -0.182 20 0 DBADHO Cc1nc(CNCCOCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001279457845 803887865 /nfs/dbraw/zinc/88/78/65/803887865.db2.gz NFDMNGUBPDUAQP-ZDUSSCGKSA-N 1 3 324.429 -0.371 20 0 DBADHO Cc1nc(CNCCOCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001279457845 803887873 /nfs/dbraw/zinc/88/78/73/803887873.db2.gz NFDMNGUBPDUAQP-ZDUSSCGKSA-N 1 3 324.429 -0.371 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C[C@H](C)O ZINC001279710693 803913706 /nfs/dbraw/zinc/91/37/06/803913706.db2.gz BBAOPOZVHNGVEG-KBPBESRZSA-N 1 3 301.431 -0.350 20 0 DBADHO CN(C)S(=O)(=O)CCCN1CCC(O)(C[NH+](C)C)CC1 ZINC000710590405 803919450 /nfs/dbraw/zinc/91/94/50/803919450.db2.gz ZOGIXRFOBYTLGA-UHFFFAOYSA-N 1 3 307.460 -0.344 20 0 DBADHO C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000763032258 804259387 /nfs/dbraw/zinc/25/93/87/804259387.db2.gz DELPUAQYORDUCT-GUTXKFCHSA-N 1 3 312.414 -0.785 20 0 DBADHO C[N@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000763032258 804259390 /nfs/dbraw/zinc/25/93/90/804259390.db2.gz DELPUAQYORDUCT-GUTXKFCHSA-N 1 3 312.414 -0.785 20 0 DBADHO C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000763032274 804259716 /nfs/dbraw/zinc/25/97/16/804259716.db2.gz DELPUAQYORDUCT-YDHLFZDLSA-N 1 3 312.414 -0.785 20 0 DBADHO C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC000763032274 804259724 /nfs/dbraw/zinc/25/97/24/804259724.db2.gz DELPUAQYORDUCT-YDHLFZDLSA-N 1 3 312.414 -0.785 20 0 DBADHO CCN1CC[C@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H](C)C1 ZINC000772947799 804395719 /nfs/dbraw/zinc/39/57/19/804395719.db2.gz VGQBGJRONTVZRG-KBPBESRZSA-N 1 3 319.471 -0.032 20 0 DBADHO CC(C)[C@@H](C(=O)NCCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001283065635 804401035 /nfs/dbraw/zinc/40/10/35/804401035.db2.gz BMDKBBXGFOAEDU-ZDUSSCGKSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCO ZINC001284415064 804700116 /nfs/dbraw/zinc/70/01/16/804700116.db2.gz ANMSPBPFFFHRMS-ZIAGYGMSSA-N 1 3 301.431 -0.350 20 0 DBADHO CN(C)C(=O)CNCCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284878267 804782199 /nfs/dbraw/zinc/78/21/99/804782199.db2.gz OOUFSXMGZWSKRI-CYBMUJFWSA-N 1 3 314.430 -0.909 20 0 DBADHO CN(C)C(=O)CNCCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284878267 804782204 /nfs/dbraw/zinc/78/22/04/804782204.db2.gz OOUFSXMGZWSKRI-CYBMUJFWSA-N 1 3 314.430 -0.909 20 0 DBADHO C[C@H](O)CN1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H](C)C1 ZINC000821271810 805178389 /nfs/dbraw/zinc/17/83/89/805178389.db2.gz TWOJACWYEFXSNJ-KCQAQPDRSA-N 1 3 311.426 -0.379 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CC1=O ZINC000827318043 805334034 /nfs/dbraw/zinc/33/40/34/805334034.db2.gz DIHKIVYQOFSMBL-RRFJBIMHSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)CC1=O ZINC000827318043 805334046 /nfs/dbraw/zinc/33/40/46/805334046.db2.gz DIHKIVYQOFSMBL-RRFJBIMHSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001293069086 805379966 /nfs/dbraw/zinc/37/99/66/805379966.db2.gz FDRCINQEKWBRND-ZDUSSCGKSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001293088071 805383308 /nfs/dbraw/zinc/38/33/08/805383308.db2.gz NNFYALWQZUUFKV-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001293088071 805383314 /nfs/dbraw/zinc/38/33/14/805383314.db2.gz NNFYALWQZUUFKV-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001293332471 805414402 /nfs/dbraw/zinc/41/44/02/805414402.db2.gz GNBXCEBMTMGRGB-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001293332471 805414407 /nfs/dbraw/zinc/41/44/07/805414407.db2.gz GNBXCEBMTMGRGB-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO O=C(NC[C@H]1CCCN(CCn2cnnn2)C1)[C@H]1CCC[NH2+]1 ZINC000883424637 807014112 /nfs/dbraw/zinc/01/41/12/807014112.db2.gz YUBWNTVFTQEHIL-CHWSQXEVSA-N 1 3 307.402 -0.747 20 0 DBADHO COCCN(C)CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884208048 807040410 /nfs/dbraw/zinc/04/04/10/807040410.db2.gz NSVMGJOPTZLKTH-UHFFFAOYSA-N 1 3 321.425 -0.201 20 0 DBADHO [NH3+][C@@H](CC1CC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884211072 807040743 /nfs/dbraw/zinc/04/07/43/807040743.db2.gz SDNFTIOXVFZTFR-AWEZNQCLSA-N 1 3 308.426 -0.120 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000884576540 807058171 /nfs/dbraw/zinc/05/81/71/807058171.db2.gz JYYJQKXLOSRMJJ-OKILXGFUSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(C(=O)C(=O)NCCN(C)CCCOC)[C@H]1CC[NH2+]C1 ZINC000884587301 807058719 /nfs/dbraw/zinc/05/87/19/807058719.db2.gz FVKAHMOXEREUJY-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884631548 807062596 /nfs/dbraw/zinc/06/25/96/807062596.db2.gz NTYMFQCFCXJHHJ-MJBXVCDLSA-N 1 3 306.410 -0.450 20 0 DBADHO CN1CCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)CCC1(C)C ZINC000884725541 807074679 /nfs/dbraw/zinc/07/46/79/807074679.db2.gz NSSGILKQYAQCTI-LBPRGKRZSA-N 1 3 312.414 -0.966 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884776636 807076082 /nfs/dbraw/zinc/07/60/82/807076082.db2.gz WXNCZCMGNVZVPW-IGQOVBAYSA-N 1 3 306.410 -0.308 20 0 DBADHO CN1CCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCC1(C)C ZINC000884791128 807077010 /nfs/dbraw/zinc/07/70/10/807077010.db2.gz QQWHZKIGKLDZOS-UHFFFAOYSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN1CCN(CCCNC(=O)COC2CC[NH2+]CC2)CC1 ZINC001325991287 807129273 /nfs/dbraw/zinc/12/92/73/807129273.db2.gz VKPOTPPIZWLBAX-UHFFFAOYSA-N 1 3 312.458 -0.101 20 0 DBADHO CCN(C(=O)C(=O)N1CC[C@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000887066171 807148531 /nfs/dbraw/zinc/14/85/31/807148531.db2.gz FKNIHWPOCDUBRL-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO CCN(C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000887066174 807149008 /nfs/dbraw/zinc/14/90/08/807149008.db2.gz FKNIHWPOCDUBRL-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887079222 807151242 /nfs/dbraw/zinc/15/12/42/807151242.db2.gz NAAZHCASHGQOBR-INIZCTEOSA-N 1 3 310.442 -0.001 20 0 DBADHO COC[C@@H](O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001326329409 807170998 /nfs/dbraw/zinc/17/09/98/807170998.db2.gz AUJSMGNWASAABO-SOUVJXGZSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC001327268165 807253829 /nfs/dbraw/zinc/25/38/29/807253829.db2.gz QWAFRFZLIDEKPQ-CYBMUJFWSA-N 1 3 310.442 -0.193 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC001327268165 807253833 /nfs/dbraw/zinc/25/38/33/807253833.db2.gz QWAFRFZLIDEKPQ-CYBMUJFWSA-N 1 3 310.442 -0.193 20 0 DBADHO CN1CCN(C)CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000899652042 807267115 /nfs/dbraw/zinc/26/71/15/807267115.db2.gz CTCXRFAQXVGPIY-UHFFFAOYSA-N 1 3 301.504 -0.008 20 0 DBADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900675778 807319473 /nfs/dbraw/zinc/31/94/73/807319473.db2.gz VOSHFRYDHJJLQF-QRTARXTBSA-N 1 3 324.469 -0.274 20 0 DBADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900675778 807319481 /nfs/dbraw/zinc/31/94/81/807319481.db2.gz VOSHFRYDHJJLQF-QRTARXTBSA-N 1 3 324.469 -0.274 20 0 DBADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900675778 807319490 /nfs/dbraw/zinc/31/94/90/807319490.db2.gz VOSHFRYDHJJLQF-QRTARXTBSA-N 1 3 324.469 -0.274 20 0 DBADHO C[N@H+]1CC=C(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001327829574 807342922 /nfs/dbraw/zinc/34/29/22/807342922.db2.gz MGZJBWAUQPPZPU-UHFFFAOYSA-N 1 3 306.370 -0.298 20 0 DBADHO C[N@@H+]1CC=C(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CC1 ZINC001327829574 807342931 /nfs/dbraw/zinc/34/29/31/807342931.db2.gz MGZJBWAUQPPZPU-UHFFFAOYSA-N 1 3 306.370 -0.298 20 0 DBADHO CN(C)C(=O)[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903757129 807408800 /nfs/dbraw/zinc/40/88/00/807408800.db2.gz YGXIXTBPPOFMEU-KBPBESRZSA-N 1 3 310.442 -0.493 20 0 DBADHO NCC(=O)N1CCC[C@H](C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)C1 ZINC000904471713 807425958 /nfs/dbraw/zinc/42/59/58/807425958.db2.gz AWQPRGQUJFZAFB-DVOMOZLQSA-N 1 3 308.426 -0.025 20 0 DBADHO CN(C)C[C@@H]1CN(S(=O)(=O)CC2CC[NH2+]CC2)CCO1 ZINC000905338696 807454280 /nfs/dbraw/zinc/45/42/80/807454280.db2.gz JYFQJJAFWBIMQE-CYBMUJFWSA-N 1 3 305.444 -0.422 20 0 DBADHO CCOC(=O)N1C[C@H]([NH2+]C[C@@H](O)CN2CCCC2)[C@@H](CO)C1 ZINC000905701486 807467243 /nfs/dbraw/zinc/46/72/43/807467243.db2.gz DYMSZWDTLQWRFH-MCIONIFRSA-N 1 3 315.414 -0.518 20 0 DBADHO CN(CCOCCO)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001328786791 807468469 /nfs/dbraw/zinc/46/84/69/807468469.db2.gz QQLBHUAXBZCREX-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCOCCO)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001328786791 807468472 /nfs/dbraw/zinc/46/84/72/807468472.db2.gz QQLBHUAXBZCREX-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO COCCN1CCC[C@@H](NC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906597226 807490591 /nfs/dbraw/zinc/49/05/91/807490591.db2.gz KXZUZBBGPNQBGJ-OAHLLOKOSA-N 1 3 312.458 -0.293 20 0 DBADHO COCCN1CCC[C@@H](NC(=O)C2CN(C)CC[N@@H+](C)C2)C1 ZINC000906597226 807490596 /nfs/dbraw/zinc/49/05/96/807490596.db2.gz KXZUZBBGPNQBGJ-OAHLLOKOSA-N 1 3 312.458 -0.293 20 0 DBADHO C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N1CCN(C)CC1 ZINC000906684122 807495532 /nfs/dbraw/zinc/49/55/32/807495532.db2.gz WWEMMICPPKTOGQ-AWEZNQCLSA-N 1 3 311.474 -0.768 20 0 DBADHO C[C@@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000906684122 807495534 /nfs/dbraw/zinc/49/55/34/807495534.db2.gz WWEMMICPPKTOGQ-AWEZNQCLSA-N 1 3 311.474 -0.768 20 0 DBADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@@H](C[NH+](C)C)C3)[C@@H]2C1 ZINC001329178778 807534780 /nfs/dbraw/zinc/53/47/80/807534780.db2.gz VJUUPEVGHHZZNM-SOUVJXGZSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)CN2CCCCC2)C1 ZINC000908118604 807574977 /nfs/dbraw/zinc/57/49/77/807574977.db2.gz NJLNFKSPEYFCMV-HOCLYGCPSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@H](CO)CN2CCCCC2)C1 ZINC000908118604 807574986 /nfs/dbraw/zinc/57/49/86/807574986.db2.gz NJLNFKSPEYFCMV-HOCLYGCPSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)CN2CCCCC2)C1 ZINC000908118602 807575368 /nfs/dbraw/zinc/57/53/68/807575368.db2.gz NJLNFKSPEYFCMV-GOEBONIOSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@H](CO)CN2CCCCC2)C1 ZINC000908118602 807575372 /nfs/dbraw/zinc/57/53/72/807575372.db2.gz NJLNFKSPEYFCMV-GOEBONIOSA-N 1 3 313.442 -0.204 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC000908200989 807579499 /nfs/dbraw/zinc/57/94/99/807579499.db2.gz KUVZDEHXNCERJL-HZPDHXFCSA-N 1 3 323.437 -0.235 20 0 DBADHO C[NH+](C)CCn1nccc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000908203681 807579693 /nfs/dbraw/zinc/57/96/93/807579693.db2.gz NFMMFVPGLYUTRP-CYBMUJFWSA-N 1 3 309.414 -0.369 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC000908200987 807579957 /nfs/dbraw/zinc/57/99/57/807579957.db2.gz KUVZDEHXNCERJL-CVEARBPZSA-N 1 3 323.437 -0.235 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N[C@H](CO)CN2CCCC2)n1 ZINC000908203235 807580068 /nfs/dbraw/zinc/58/00/68/807580068.db2.gz LJIGQARDAXTNKQ-ZDUSSCGKSA-N 1 3 309.414 -0.369 20 0 DBADHO CNS(=O)(=O)CCCN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC001329743200 807612154 /nfs/dbraw/zinc/61/21/54/807612154.db2.gz ONAWQUJPUVZZDF-RWMBFGLXSA-N 1 3 305.444 -0.328 20 0 DBADHO CNS(=O)(=O)CCCN[C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC001329743197 807612394 /nfs/dbraw/zinc/61/23/94/807612394.db2.gz ONAWQUJPUVZZDF-FRRDWIJNSA-N 1 3 305.444 -0.328 20 0 DBADHO C[NH2+]CCCC(=O)N1CCC(NC(=O)CNCCOC)CC1 ZINC001329936509 807643557 /nfs/dbraw/zinc/64/35/57/807643557.db2.gz GMDGPXBQSUKZQA-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1([NH+](C)C)CC1 ZINC000922983094 807644959 /nfs/dbraw/zinc/64/49/59/807644959.db2.gz HUUZRQVEAIBNNQ-LBPRGKRZSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC1([NH+](C)C)CC1 ZINC000922983091 807644997 /nfs/dbraw/zinc/64/49/97/807644997.db2.gz HUUZRQVEAIBNNQ-GFCCVEGCSA-N 1 3 311.430 -0.158 20 0 DBADHO CS(=O)(=O)NCC1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923373050 807662723 /nfs/dbraw/zinc/66/27/23/807662723.db2.gz MDYIVWHOEAAIHB-ZDUSSCGKSA-N 1 3 317.455 -0.374 20 0 DBADHO CCOC[C@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923398978 807663553 /nfs/dbraw/zinc/66/35/53/807663553.db2.gz NAKTYISIJPCXTC-MCIONIFRSA-N 1 3 313.398 -0.359 20 0 DBADHO C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000923589583 807682420 /nfs/dbraw/zinc/68/24/20/807682420.db2.gz HLGLKTRAUKETDW-STQMWFEESA-N 1 3 304.460 -0.154 20 0 DBADHO CN1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923609874 807687081 /nfs/dbraw/zinc/68/70/81/807687081.db2.gz JPJCCJXEAMSZHR-QWHCGFSZSA-N 1 3 302.444 -0.305 20 0 DBADHO C[N@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923629210 807693369 /nfs/dbraw/zinc/69/33/69/807693369.db2.gz ZODCRRBFZCSYPS-CQSZACIVSA-N 1 3 316.471 -0.200 20 0 DBADHO C[N@@H+](CC1CC1)C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923629210 807693373 /nfs/dbraw/zinc/69/33/73/807693373.db2.gz ZODCRRBFZCSYPS-CQSZACIVSA-N 1 3 316.471 -0.200 20 0 DBADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(S(=O)(=O)C3CNC3)C2)C1 ZINC000923652090 807697456 /nfs/dbraw/zinc/69/74/56/807697456.db2.gz IBCBCPQIJWGCNA-WZRBSPASSA-N 1 3 303.428 -0.494 20 0 DBADHO C[C@@H]1CCCN(S(=O)(=O)N2CCNCC2)[C@@H]1CCC[NH3+] ZINC000923655982 807697697 /nfs/dbraw/zinc/69/76/97/807697697.db2.gz OOOXGZWZCDKZOX-CHWSQXEVSA-N 1 3 304.460 -0.024 20 0 DBADHO NCc1cn(-c2cccc(CN[C@H]3C[NH2+]CCOC3)c2)nn1 ZINC000925722818 807746552 /nfs/dbraw/zinc/74/65/52/807746552.db2.gz NIHIFEFDMXQXNG-AWEZNQCLSA-N 1 3 302.382 -0.196 20 0 DBADHO CCO[C@H](CNC(=O)NCCN1CC[C@H](O)C1)C[NH+](C)C ZINC000926855290 807780118 /nfs/dbraw/zinc/78/01/18/807780118.db2.gz SYRCVIPQGYNPLP-QWHCGFSZSA-N 1 3 302.419 -0.681 20 0 DBADHO C[C@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CO1 ZINC001332298096 807896639 /nfs/dbraw/zinc/89/66/39/807896639.db2.gz WVJVGJZHEFMBGS-STQMWFEESA-N 1 3 314.430 -0.768 20 0 DBADHO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001332390226 807911119 /nfs/dbraw/zinc/91/11/19/807911119.db2.gz FFXPWHSCEPDWJX-HOCLYGCPSA-N 1 3 312.458 -0.415 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC001333381664 808052226 /nfs/dbraw/zinc/05/22/26/808052226.db2.gz DHMQOQOLOXHVDC-ZIAGYGMSSA-N 1 3 310.442 -0.193 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946779368 808137191 /nfs/dbraw/zinc/13/71/91/808137191.db2.gz NUOSWIMQMBQRSA-APIJFGDWSA-N 1 3 322.453 -0.160 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946779368 808137198 /nfs/dbraw/zinc/13/71/98/808137198.db2.gz NUOSWIMQMBQRSA-APIJFGDWSA-N 1 3 322.453 -0.160 20 0 DBADHO NC(=O)CN1C[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]2C1 ZINC000946861265 808148026 /nfs/dbraw/zinc/14/80/26/808148026.db2.gz CTRLJBUIPVJNGL-OKILXGFUSA-N 1 3 320.437 -0.262 20 0 DBADHO NC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946895417 808150743 /nfs/dbraw/zinc/15/07/43/808150743.db2.gz YDIAWEMBBBZHBH-OKILXGFUSA-N 1 3 308.426 -0.262 20 0 DBADHO NC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCC3)CC[C@@H]2C1 ZINC000946895417 808150748 /nfs/dbraw/zinc/15/07/48/808150748.db2.gz YDIAWEMBBBZHBH-OKILXGFUSA-N 1 3 308.426 -0.262 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C2CCOCC2)C1=O ZINC001334388376 808160178 /nfs/dbraw/zinc/16/01/78/808160178.db2.gz BSSYCKXODOSZFB-STQMWFEESA-N 1 3 310.398 -0.278 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C2CCOCC2)C1=O ZINC001334388376 808160182 /nfs/dbraw/zinc/16/01/82/808160182.db2.gz BSSYCKXODOSZFB-STQMWFEESA-N 1 3 310.398 -0.278 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C2CCOCC2)C1=O ZINC001334388372 808160226 /nfs/dbraw/zinc/16/02/26/808160226.db2.gz BSSYCKXODOSZFB-CHWSQXEVSA-N 1 3 310.398 -0.278 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(C[C@H]2CC[N@H+]2C2CCOCC2)C1=O ZINC001334388372 808160227 /nfs/dbraw/zinc/16/02/27/808160227.db2.gz BSSYCKXODOSZFB-CHWSQXEVSA-N 1 3 310.398 -0.278 20 0 DBADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001335218726 808257660 /nfs/dbraw/zinc/25/76/60/808257660.db2.gz YPBHMKRODRVAAD-JSGCOSHPSA-N 1 3 324.425 -0.694 20 0 DBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001335254370 808266540 /nfs/dbraw/zinc/26/65/40/808266540.db2.gz JAMCXQXRMVXHSY-WCQYABFASA-N 1 3 312.414 -0.839 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001335383749 808283940 /nfs/dbraw/zinc/28/39/40/808283940.db2.gz HKCUYGJCTRPUCX-HUUCEWRRSA-N 1 3 301.431 -0.884 20 0 DBADHO COCCN(C)CCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001336720934 808413022 /nfs/dbraw/zinc/41/30/22/808413022.db2.gz IGGSPCCLDNBVDI-OAQYLSRUSA-N 1 3 319.471 -0.428 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[C@H]1C[NH3+] ZINC001340097931 808620450 /nfs/dbraw/zinc/62/04/50/808620450.db2.gz GFACSVHMGQKCLC-XDQVBPFNSA-N 1 3 308.426 -0.408 20 0 DBADHO CN1CCN(CCCNC(=O)c2ccn(CCC[NH3+])n2)CC1 ZINC001341733716 808696610 /nfs/dbraw/zinc/69/66/10/808696610.db2.gz RFPPDVVXHBPNEY-UHFFFAOYSA-N 1 3 308.430 -0.401 20 0 DBADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954318519 809213171 /nfs/dbraw/zinc/21/31/71/809213171.db2.gz VPQMTMGUOATFBM-OCCSQVGLSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954318519 809213174 /nfs/dbraw/zinc/21/31/74/809213174.db2.gz VPQMTMGUOATFBM-OCCSQVGLSA-N 1 3 310.442 -0.053 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000954326534 809218392 /nfs/dbraw/zinc/21/83/92/809218392.db2.gz UDCSYMJBEDDPRD-UHFFFAOYSA-N 1 3 320.437 -0.153 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000955343767 809395331 /nfs/dbraw/zinc/39/53/31/809395331.db2.gz BLQOACUOKRIMBZ-ZFWWWQNUSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000955343767 809395337 /nfs/dbraw/zinc/39/53/37/809395337.db2.gz BLQOACUOKRIMBZ-ZFWWWQNUSA-N 1 3 322.453 -0.051 20 0 DBADHO O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CN2CCN1CCC2 ZINC000956754237 809545908 /nfs/dbraw/zinc/54/59/08/809545908.db2.gz LYSAZKPIICTGOI-HNNXBMFYSA-N 1 3 310.442 -0.803 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)CC1 ZINC000958555482 809955447 /nfs/dbraw/zinc/95/54/47/809955447.db2.gz KSHOKFYSIRBIAI-HUUCEWRRSA-N 1 3 313.442 -0.492 20 0 DBADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961282792 810260025 /nfs/dbraw/zinc/26/00/25/810260025.db2.gz PPGFTYMRHXCEFB-AHRVAXILSA-N 1 3 321.421 -0.722 20 0 DBADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000961282792 810260029 /nfs/dbraw/zinc/26/00/29/810260029.db2.gz PPGFTYMRHXCEFB-AHRVAXILSA-N 1 3 321.421 -0.722 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC000961657309 810336886 /nfs/dbraw/zinc/33/68/86/810336886.db2.gz DBDCZYPMRULERO-RQJABVFESA-N 1 3 306.410 -0.737 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000967925436 811318996 /nfs/dbraw/zinc/31/89/96/811318996.db2.gz PPCRHQRCTAKUJF-KGLIPLIRSA-N 1 3 324.425 -0.870 20 0 DBADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC000968921604 811513637 /nfs/dbraw/zinc/51/36/37/811513637.db2.gz BBVIGFNMVXKFNJ-OCCSQVGLSA-N 1 3 308.426 -0.108 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC000969074702 811543118 /nfs/dbraw/zinc/54/31/18/811543118.db2.gz PEGWHRLKTOHPQU-IJLUTSLNSA-N 1 3 310.398 -0.678 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001012564911 813073620 /nfs/dbraw/zinc/07/36/20/813073620.db2.gz IKPNMGCZPQCKEI-OCCSQVGLSA-N 1 3 319.409 -0.179 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001012564911 813073629 /nfs/dbraw/zinc/07/36/29/813073629.db2.gz IKPNMGCZPQCKEI-OCCSQVGLSA-N 1 3 319.409 -0.179 20 0 DBADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001014963056 813341572 /nfs/dbraw/zinc/34/15/72/813341572.db2.gz MZYBJYANHKCMJL-ZIAGYGMSSA-N 1 3 306.414 -0.047 20 0 DBADHO CN1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014963056 813341580 /nfs/dbraw/zinc/34/15/80/813341580.db2.gz MZYBJYANHKCMJL-ZIAGYGMSSA-N 1 3 306.414 -0.047 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)CCC1 ZINC001018962402 814031390 /nfs/dbraw/zinc/03/13/90/814031390.db2.gz AYHQMWQVWUXKAW-ZDUSSCGKSA-N 1 3 306.414 -0.047 20 0 DBADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001018972677 814034015 /nfs/dbraw/zinc/03/40/15/814034015.db2.gz JAYLWZBDORZOLA-WCQYABFASA-N 1 3 322.409 -0.534 20 0 DBADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001018971830 814034085 /nfs/dbraw/zinc/03/40/85/814034085.db2.gz WATBTHBCNAQZRY-ZDUSSCGKSA-N 1 3 308.426 -0.107 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001019032155 814052450 /nfs/dbraw/zinc/05/24/50/814052450.db2.gz IWTLSSFDXJCOHH-QWHCGFSZSA-N 1 3 311.430 -0.458 20 0 DBADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001019043830 814056524 /nfs/dbraw/zinc/05/65/24/814056524.db2.gz JHZMKYADJSPMDT-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO CC(C)(C(=O)N1CC[C@H](N[C@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001019229963 814095244 /nfs/dbraw/zinc/09/52/44/814095244.db2.gz ISFSLHKOJZOEIB-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001019321876 814127192 /nfs/dbraw/zinc/12/71/92/814127192.db2.gz WGDJUXGPYWKCJZ-AWEZNQCLSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019382754 814145685 /nfs/dbraw/zinc/14/56/85/814145685.db2.gz JYYJBAGLVXBPPN-KGLIPLIRSA-N 1 3 323.441 -0.456 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001019435861 814156140 /nfs/dbraw/zinc/15/61/40/814156140.db2.gz OIVSHTWIGMTQGX-AAEUAGOBSA-N 1 3 315.381 -0.078 20 0 DBADHO C[C@H](N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019576316 814191967 /nfs/dbraw/zinc/19/19/67/814191967.db2.gz PSOAALGPHKKEOT-RYUDHWBXSA-N 1 3 312.414 -0.839 20 0 DBADHO O=C(N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC001019659411 814215037 /nfs/dbraw/zinc/21/50/37/814215037.db2.gz BGSDVUVRPWLSLV-RYUDHWBXSA-N 1 3 320.393 -0.922 20 0 DBADHO O=C(CC[NH+]1CCCCC1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001019812321 814237234 /nfs/dbraw/zinc/23/72/34/814237234.db2.gz JOUBPXDACNTAJJ-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CCN(CCO)C1 ZINC001033278493 814462018 /nfs/dbraw/zinc/46/20/18/814462018.db2.gz PFKTULIORQSWIQ-WJEHIRDRSA-N 1 3 309.410 -0.625 20 0 DBADHO CN(C(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)[C@H]1CCN(CCO)C1 ZINC001033278493 814462025 /nfs/dbraw/zinc/46/20/25/814462025.db2.gz PFKTULIORQSWIQ-WJEHIRDRSA-N 1 3 309.410 -0.625 20 0 DBADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033278816 814463468 /nfs/dbraw/zinc/46/34/68/814463468.db2.gz ROSGRWWKEYSGPQ-GYMHETDLSA-N 1 3 323.437 -0.235 20 0 DBADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033278816 814463472 /nfs/dbraw/zinc/46/34/72/814463472.db2.gz ROSGRWWKEYSGPQ-GYMHETDLSA-N 1 3 323.437 -0.235 20 0 DBADHO C[C@@H](O)CN1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489674 814519709 /nfs/dbraw/zinc/51/97/09/814519709.db2.gz IYZYNUPGXMSLPH-HIFRSBDPSA-N 1 3 323.441 -0.028 20 0 DBADHO O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC001034654441 814710815 /nfs/dbraw/zinc/71/08/15/814710815.db2.gz WXXLHRAWOIGDRK-ZQDZILKHSA-N 1 3 311.426 -0.141 20 0 DBADHO O=C(N1CCC[C@H]1CN[C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001045274268 816603484 /nfs/dbraw/zinc/60/34/84/816603484.db2.gz KOBHTASNPOSHNB-QWHCGFSZSA-N 1 3 306.410 -0.449 20 0 DBADHO CN(CC(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1)C1CCC1 ZINC001046035804 816734242 /nfs/dbraw/zinc/73/42/42/816734242.db2.gz UBGPMQDDNMEYCU-MRXNPFEDSA-N 1 3 324.469 -0.319 20 0 DBADHO CN(CC(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1)C1CCC1 ZINC001046035804 816734248 /nfs/dbraw/zinc/73/42/48/816734248.db2.gz UBGPMQDDNMEYCU-MRXNPFEDSA-N 1 3 324.469 -0.319 20 0 DBADHO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081694 816752231 /nfs/dbraw/zinc/75/22/31/816752231.db2.gz IZQORRZPUUASFI-MRXNPFEDSA-N 1 3 324.469 -0.053 20 0 DBADHO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081694 816752234 /nfs/dbraw/zinc/75/22/34/816752234.db2.gz IZQORRZPUUASFI-MRXNPFEDSA-N 1 3 324.469 -0.053 20 0 DBADHO C[C@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081914 816752400 /nfs/dbraw/zinc/75/24/00/816752400.db2.gz LSKMVYOUQPHOOT-JKSUJKDBSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081914 816752406 /nfs/dbraw/zinc/75/24/06/816752406.db2.gz LSKMVYOUQPHOOT-JKSUJKDBSA-N 1 3 324.469 -0.319 20 0 DBADHO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C1 ZINC001048723723 817414725 /nfs/dbraw/zinc/41/47/25/817414725.db2.gz NRDNWYPEUZIDOU-RFQIPJPRSA-N 1 3 308.426 -0.265 20 0 DBADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C1 ZINC001048723723 817414730 /nfs/dbraw/zinc/41/47/30/817414730.db2.gz NRDNWYPEUZIDOU-RFQIPJPRSA-N 1 3 308.426 -0.265 20 0 DBADHO C[C@H](C(=O)N(C)C)[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C1 ZINC001048723587 817414899 /nfs/dbraw/zinc/41/48/99/817414899.db2.gz JHXDTHJLDUJJSL-KBXIAJHMSA-N 1 3 322.453 -0.053 20 0 DBADHO C[C@H](C(=O)N(C)C)[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]2C1 ZINC001048723587 817414901 /nfs/dbraw/zinc/41/49/01/817414901.db2.gz JHXDTHJLDUJJSL-KBXIAJHMSA-N 1 3 322.453 -0.053 20 0 DBADHO 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CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2C1)N(C)C ZINC001048888424 817473523 /nfs/dbraw/zinc/47/35/23/817473523.db2.gz OBDDZRIANDDHGB-RFQIPJPRSA-N 1 3 310.442 -0.019 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049056946 817518060 /nfs/dbraw/zinc/51/80/60/817518060.db2.gz FARQAGXYDKGRSN-BARDWOONSA-N 1 3 322.453 -0.005 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049056946 817518066 /nfs/dbraw/zinc/51/80/66/817518066.db2.gz FARQAGXYDKGRSN-BARDWOONSA-N 1 3 322.453 -0.005 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049059501 817518825 /nfs/dbraw/zinc/51/88/25/817518825.db2.gz RSLOFDLOKXYTJW-BARDWOONSA-N 1 3 322.453 -0.147 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)C[C@@H]2C1 ZINC001049059501 817518828 /nfs/dbraw/zinc/51/88/28/817518828.db2.gz RSLOFDLOKXYTJW-BARDWOONSA-N 1 3 322.453 -0.147 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)N2C[C@H]3CN(CC(=O)N(C)C)C[C@H]3C2)C1 ZINC001049059660 817519096 /nfs/dbraw/zinc/51/90/96/817519096.db2.gz YTDHDWIEYSIDCC-SOUVJXGZSA-N 1 3 322.453 -0.193 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)N2C[C@H]3CN(CC(=O)N(C)C)C[C@H]3C2)C1 ZINC001049059660 817519099 /nfs/dbraw/zinc/51/90/99/817519099.db2.gz YTDHDWIEYSIDCC-SOUVJXGZSA-N 1 3 322.453 -0.193 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049058368 817519312 /nfs/dbraw/zinc/51/93/12/817519312.db2.gz XJYFIZUGCJEXOF-KBXIAJHMSA-N 1 3 320.437 -0.251 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049058368 817519316 /nfs/dbraw/zinc/51/93/16/817519316.db2.gz XJYFIZUGCJEXOF-KBXIAJHMSA-N 1 3 320.437 -0.251 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001049064918 817521851 /nfs/dbraw/zinc/52/18/51/817521851.db2.gz MOISGAYEUNTAEU-RFQIPJPRSA-N 1 3 308.426 -0.395 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001049064918 817521854 /nfs/dbraw/zinc/52/18/54/817521854.db2.gz MOISGAYEUNTAEU-RFQIPJPRSA-N 1 3 308.426 -0.395 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001049064412 817522611 /nfs/dbraw/zinc/52/26/11/817522611.db2.gz FWUQEQMCZBIROJ-LJISPDSOSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001049064412 817522619 /nfs/dbraw/zinc/52/26/19/817522619.db2.gz FWUQEQMCZBIROJ-LJISPDSOSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC001049216695 817564173 /nfs/dbraw/zinc/56/41/73/817564173.db2.gz GXMWBNRKSOVGQH-HZSPNIEDSA-N 1 3 308.426 -0.264 20 0 DBADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN3CCCC3)C[C@H]2C1 ZINC001049216695 817564178 /nfs/dbraw/zinc/56/41/78/817564178.db2.gz GXMWBNRKSOVGQH-HZSPNIEDSA-N 1 3 308.426 -0.264 20 0 DBADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753761 817752711 /nfs/dbraw/zinc/75/27/11/817752711.db2.gz CALAIVNVPUYASM-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CNC(=O)[C@H](C)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753761 817752721 /nfs/dbraw/zinc/75/27/21/817752721.db2.gz CALAIVNVPUYASM-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CCO1 ZINC001051722656 818017733 /nfs/dbraw/zinc/01/77/33/818017733.db2.gz QMPJEUMSECTLSY-MYMJJRTCSA-N 1 3 309.410 -0.314 20 0 DBADHO CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CCO1 ZINC001051722654 818018152 /nfs/dbraw/zinc/01/81/52/818018152.db2.gz QMPJEUMSECTLSY-IOSBVQAASA-N 1 3 309.410 -0.314 20 0 DBADHO CN1CC[C@@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001054296844 818099484 /nfs/dbraw/zinc/09/94/84/818099484.db2.gz WZQLAJRMMHSGFE-MGPQQGTHSA-N 1 3 308.426 -0.108 20 0 DBADHO CC[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275571 820439266 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320.397 -0.738 20 0 DBADHO CC(C)[C@H](C(=O)N1CCC([NH+](CCO)CCO)CC1)N(C)C ZINC001098471574 826489050 /nfs/dbraw/zinc/48/90/50/826489050.db2.gz GIUVQHOVWJAPIR-OAHLLOKOSA-N 1 3 315.458 -0.150 20 0 DBADHO CC[C@@H](C(=O)N1CCC([N@H+](CCO)C[C@@H](C)O)CC1)N(C)C ZINC001098479984 826489954 /nfs/dbraw/zinc/48/99/54/826489954.db2.gz KJVDSJFOIPXECN-HIFRSBDPSA-N 1 3 315.458 -0.007 20 0 DBADHO CC[C@@H](C(=O)N1CCC([N@@H+](CCO)C[C@@H](C)O)CC1)N(C)C ZINC001098479984 826489956 /nfs/dbraw/zinc/48/99/56/826489956.db2.gz KJVDSJFOIPXECN-HIFRSBDPSA-N 1 3 315.458 -0.007 20 0 DBADHO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488067 826491617 /nfs/dbraw/zinc/49/16/17/826491617.db2.gz DGRQLYGKXGYSNW-LBPRGKRZSA-N 1 3 310.398 -0.382 20 0 DBADHO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488067 826491619 /nfs/dbraw/zinc/49/16/19/826491619.db2.gz DGRQLYGKXGYSNW-LBPRGKRZSA-N 1 3 310.398 -0.382 20 0 DBADHO C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001098488066 826491663 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C[NH+](C)CCC(=O)N[C@H]1CN(CCO)CC2(CCOCC2)C1 ZINC001099589206 826572988 /nfs/dbraw/zinc/57/29/88/826572988.db2.gz SJDIANIDTCHZNZ-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986940 826760912 /nfs/dbraw/zinc/76/09/12/826760912.db2.gz RKSRALACHQWBRB-CABCVRRESA-N 1 3 323.441 -0.534 20 0 DBADHO CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274566283 833101304 /nfs/dbraw/zinc/10/13/04/833101304.db2.gz NXRQWWRLKMJRFK-GOEBONIOSA-N 1 3 313.442 -0.130 20 0 DBADHO CCOC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274566283 833101306 /nfs/dbraw/zinc/10/13/06/833101306.db2.gz NXRQWWRLKMJRFK-GOEBONIOSA-N 1 3 313.442 -0.130 20 0 DBADHO COC(=O)[C@@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274603914 833106968 /nfs/dbraw/zinc/10/69/68/833106968.db2.gz KNZSKVLKRDAZDQ-UPJWGTAASA-N 1 3 313.398 -0.853 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOC)C[C@H]1O ZINC001100084094 826838871 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CC[C@@H](C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001100683460 827001870 /nfs/dbraw/zinc/00/18/70/827001870.db2.gz CIGNHRHWVLKQSL-BPCQOVAHSA-N 1 3 319.471 -0.144 20 0 DBADHO CCCN(C)CC(=O)NCC1CC([NH2+]C[C@@H](O)COC)C1 ZINC001100901966 827041394 /nfs/dbraw/zinc/04/13/94/827041394.db2.gz XVNQTSXGCAIKBS-JXQTWKCFSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288625 827194792 /nfs/dbraw/zinc/19/47/92/827194792.db2.gz NBLWDTFDUJGJJC-MGPQQGTHSA-N 1 3 322.453 -0.099 20 0 DBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001102993594 827257888 /nfs/dbraw/zinc/25/78/88/827257888.db2.gz BTNMMOWPSVWYRM-YUELXQCFSA-N 1 3 322.453 -0.112 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+][C@H]2CCNC2=O)CC1 ZINC001163820838 833170861 /nfs/dbraw/zinc/17/08/61/833170861.db2.gz IWDLCXPPJWCTIP-QWHCGFSZSA-N 1 3 308.426 -0.155 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001275417124 833176932 /nfs/dbraw/zinc/17/69/32/833176932.db2.gz BBRKPUQUFDMIGF-STQMWFEESA-N 1 3 313.446 -0.308 20 0 DBADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001103998498 827316246 /nfs/dbraw/zinc/31/62/46/827316246.db2.gz XGBMYMUZLGANHI-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001275459841 833181032 /nfs/dbraw/zinc/18/10/32/833181032.db2.gz WTBCPAIJNKVAMZ-STQMWFEESA-N 1 3 324.425 -0.238 20 0 DBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001104680464 827366404 /nfs/dbraw/zinc/36/64/04/827366404.db2.gz QZLRYJADTVFLNT-BFHYXJOUSA-N 1 3 310.442 -0.112 20 0 DBADHO CN(c1ccc2nc([C@H]3CC[NH2+]C3)nn2c1)S(=O)(=O)CCN ZINC001164300417 833203287 /nfs/dbraw/zinc/20/32/87/833203287.db2.gz PSFLKHWIHWZWIB-JTQLQIEISA-N 1 3 324.410 -0.469 20 0 DBADHO CN(C)Cc1ccoc1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001165245836 833232676 /nfs/dbraw/zinc/23/26/76/833232676.db2.gz JGGAKPCUWZFQLN-UHFFFAOYSA-N 1 3 321.385 -0.226 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106705088 827669855 /nfs/dbraw/zinc/66/98/55/827669855.db2.gz QSFDLLIWTZZYIW-GRYCIOLGSA-N 1 3 307.398 -0.229 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704880 827670284 /nfs/dbraw/zinc/67/02/84/827670284.db2.gz GYTNTTIGJATXCY-YRGRVCCFSA-N 1 3 310.398 -0.356 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCOCCO ZINC001106704969 827670712 /nfs/dbraw/zinc/67/07/12/827670712.db2.gz LHBOYKIIPJFONJ-CHWSQXEVSA-N 1 3 310.398 -0.355 20 0 DBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001166011206 833263524 /nfs/dbraw/zinc/26/35/24/833263524.db2.gz ZNKOCFJOURGXGV-GHMZBOCLSA-N 1 3 315.418 -0.748 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1ccon1 ZINC001166691768 833277920 /nfs/dbraw/zinc/27/79/20/833277920.db2.gz MQGSHFQRNJMJHM-NWDGAFQWSA-N 1 3 323.397 -0.093 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCCNCC(=O)Nc1ccon1 ZINC001166691768 833277923 /nfs/dbraw/zinc/27/79/23/833277923.db2.gz MQGSHFQRNJMJHM-NWDGAFQWSA-N 1 3 323.397 -0.093 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)N(C)C ZINC001166858018 833283761 /nfs/dbraw/zinc/28/37/61/833283761.db2.gz KUPSSXHJAJKILF-LBPRGKRZSA-N 1 3 322.413 -0.149 20 0 DBADHO CS(=O)(=O)N(c1ccc(N2CC[NH2+]CC2)cn1)C1CNC1 ZINC001166970315 833288396 /nfs/dbraw/zinc/28/83/96/833288396.db2.gz JVJALFJENMHSBU-UHFFFAOYSA-N 1 3 311.411 -0.771 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC2CC1(C)C2 ZINC001118586026 829108246 /nfs/dbraw/zinc/10/82/46/829108246.db2.gz OZGLFVJGQRWQER-UHFFFAOYSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001171762393 833374661 /nfs/dbraw/zinc/37/46/61/833374661.db2.gz CEZSVXUMPXGOQU-UHFFFAOYSA-N 1 3 322.475 -0.637 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001171770649 833374724 /nfs/dbraw/zinc/37/47/24/833374724.db2.gz WHOHFMJLYDRGKW-UHFFFAOYSA-N 1 3 312.414 -0.427 20 0 DBADHO CN1CC[NH+](C2CCN(CCCN3C(=O)CNC3=O)CC2)CC1 ZINC001119260907 829242961 /nfs/dbraw/zinc/24/29/61/829242961.db2.gz MCKSLMXORPQZMQ-UHFFFAOYSA-N 1 3 323.441 -0.360 20 0 DBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC001119295394 829247302 /nfs/dbraw/zinc/24/73/02/829247302.db2.gz CRHACOUWQGGGQS-GDBMZVCRSA-N 1 3 312.458 -0.103 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC001119295395 829247411 /nfs/dbraw/zinc/24/74/11/829247411.db2.gz CRHACOUWQGGGQS-GOEBONIOSA-N 1 3 312.458 -0.103 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCSC1 ZINC001119416970 829258933 /nfs/dbraw/zinc/25/89/33/829258933.db2.gz JXASLUXVINYPIA-UHIISALHSA-N 1 3 314.455 -0.607 20 0 DBADHO CCN1CCN(CCC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001120472089 829379521 /nfs/dbraw/zinc/37/95/21/829379521.db2.gz CMVVRBIWWNUPLO-CVEARBPZSA-N 1 3 315.458 -0.494 20 0 DBADHO CN(C)[C@H](C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)C1CC1 ZINC001121247070 829453140 /nfs/dbraw/zinc/45/31/40/829453140.db2.gz WUYMZXHRNXAYHS-VWVFYJPSSA-N 1 3 308.426 -0.171 20 0 DBADHO CN(C(=O)[C@H]1CCCN(CC[NH3+])C1=O)[C@H]1CN2CCC1CC2 ZINC001122102933 829548229 /nfs/dbraw/zinc/54/82/29/829548229.db2.gz CJYRDMWEYYVJNN-KGLIPLIRSA-N 1 3 308.426 -0.264 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001176971800 833442742 /nfs/dbraw/zinc/44/27/42/833442742.db2.gz IKZODTOIMNIOQM-UHFFFAOYSA-N 1 3 322.413 -0.149 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@H](O)COC ZINC001176986033 833444955 /nfs/dbraw/zinc/44/49/55/833444955.db2.gz CFCHGIXPGWRBSO-UONOGXRCSA-N 1 3 301.431 -0.036 20 0 DBADHO COCCCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866504 829796405 /nfs/dbraw/zinc/79/64/05/829796405.db2.gz DVHJNXQVAHCOLE-CHWSQXEVSA-N 1 3 314.430 -0.672 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)N1CCCC1 ZINC001127466634 830013039 /nfs/dbraw/zinc/01/30/39/830013039.db2.gz WKMGZEHDXOLIBX-AWEZNQCLSA-N 1 3 308.426 -0.344 20 0 DBADHO CN1CCC[C@@H](NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481483 830014732 /nfs/dbraw/zinc/01/47/32/830014732.db2.gz UFZCBEDZBXHIFH-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO CCN1CC[C@@H](NCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481273 830014760 /nfs/dbraw/zinc/01/47/60/830014760.db2.gz QSADFUXNARWDSD-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)CC2CC2)CC[N@@H+]1C ZINC001127639395 830022059 /nfs/dbraw/zinc/02/20/59/830022059.db2.gz ZLAQXVILNLKUAF-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)N(C)CC2CC2)CC[N@H+]1C ZINC001127639395 830022063 /nfs/dbraw/zinc/02/20/63/830022063.db2.gz ZLAQXVILNLKUAF-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001128534181 830095621 /nfs/dbraw/zinc/09/56/21/830095621.db2.gz XISOJKIAQRNTMF-QWHCGFSZSA-N 1 3 316.421 -0.007 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001128533705 830095894 /nfs/dbraw/zinc/09/58/94/830095894.db2.gz QJAGTTMRUJANDR-QWRGUYRKSA-N 1 3 316.377 -0.823 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001128783124 830129702 /nfs/dbraw/zinc/12/97/02/830129702.db2.gz FQWKRKXNHHMYMR-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001128783124 830129709 /nfs/dbraw/zinc/12/97/09/830129709.db2.gz FQWKRKXNHHMYMR-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001128783109 830130015 /nfs/dbraw/zinc/13/00/15/830130015.db2.gz FOBATEUZWAZWCP-VXGBXAGGSA-N 1 3 310.398 -0.628 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001128783109 830130021 /nfs/dbraw/zinc/13/00/21/830130021.db2.gz FOBATEUZWAZWCP-VXGBXAGGSA-N 1 3 310.398 -0.628 20 0 DBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001129341009 830173450 /nfs/dbraw/zinc/17/34/50/830173450.db2.gz RCIXRUNCJITCCD-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001129341009 830173451 /nfs/dbraw/zinc/17/34/51/830173451.db2.gz RCIXRUNCJITCCD-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001129340109 830173873 /nfs/dbraw/zinc/17/38/73/830173873.db2.gz KUBNPFKSXSPOCS-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCCNC2=O)C1 ZINC001129340109 830173875 /nfs/dbraw/zinc/17/38/75/830173875.db2.gz KUBNPFKSXSPOCS-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)CCC1 ZINC001129356776 830175894 /nfs/dbraw/zinc/17/58/94/830175894.db2.gz HVLMBKDVHWSHMV-GFCCVEGCSA-N 1 3 306.414 -0.045 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129449927 830181466 /nfs/dbraw/zinc/18/14/66/830181466.db2.gz SHIRZGYRXUSROL-ABAIWWIYSA-N 1 3 310.442 -0.053 20 0 DBADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129444324 830181625 /nfs/dbraw/zinc/18/16/25/830181625.db2.gz RJGXRKGQYSZTPL-ZDUSSCGKSA-N 1 3 319.471 -0.143 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129443692 830181648 /nfs/dbraw/zinc/18/16/48/830181648.db2.gz MGILIBHOBJVZJN-ZIAGYGMSSA-N 1 3 317.430 -0.944 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129443689 830181832 /nfs/dbraw/zinc/18/18/32/830181832.db2.gz MGILIBHOBJVZJN-KGLIPLIRSA-N 1 3 317.430 -0.944 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129444639 830181843 /nfs/dbraw/zinc/18/18/43/830181843.db2.gz WOYZQPIAPDRUMZ-AAEUAGOBSA-N 1 3 317.455 -0.533 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001129454964 830181849 /nfs/dbraw/zinc/18/18/49/830181849.db2.gz QFEVYBNRYDHHDA-CQSZACIVSA-N 1 3 310.398 -0.819 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129443407 830181947 /nfs/dbraw/zinc/18/19/47/830181947.db2.gz JSZFBYZAQVXMGD-ZDUSSCGKSA-N 1 3 313.446 -0.260 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)CS(C)(=O)=O ZINC001129450354 830182193 /nfs/dbraw/zinc/18/21/93/830182193.db2.gz ZLGYHZOVEGMUSO-AAEUAGOBSA-N 1 3 319.471 -0.287 20 0 DBADHO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129535291 830186971 /nfs/dbraw/zinc/18/69/71/830186971.db2.gz NOPKDFOERXEZEX-UHFFFAOYSA-N 1 3 320.459 -0.884 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129950730 830232799 /nfs/dbraw/zinc/23/27/99/830232799.db2.gz YNWAEPXVOGJBMR-KGLIPLIRSA-N 1 3 319.446 -0.698 20 0 DBADHO C[NH+](C)CCC(=O)NCc1c[nH]nc1[C@H]1CCN(CCO)C1 ZINC001130418275 830318819 /nfs/dbraw/zinc/31/88/19/830318819.db2.gz PQVPGMHBXXGYTL-LBPRGKRZSA-N 1 3 309.414 -0.241 20 0 DBADHO CN(CCC(=O)NCCN[C@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001130556776 830341494 /nfs/dbraw/zinc/34/14/94/830341494.db2.gz XVROYKGXJHKQQU-AWEZNQCLSA-N 1 3 319.409 -0.108 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131115336 830432427 /nfs/dbraw/zinc/43/24/27/830432427.db2.gz LNTAXWRHDSNNFF-ZIAGYGMSSA-N 1 3 323.441 -0.362 20 0 DBADHO O=C(NCC[NH2+]C[C@@H]1CCCOC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519717 830479385 /nfs/dbraw/zinc/47/93/85/830479385.db2.gz JTAJJQIPBVUBNP-BOLLXYOYSA-N 1 3 323.437 -0.018 20 0 DBADHO O=C(NCC[NH2+]CC1CCOCC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521971 830480754 /nfs/dbraw/zinc/48/07/54/830480754.db2.gz NLQMTOOULIELCS-ISXOHVOVSA-N 1 3 323.437 -0.018 20 0 DBADHO CN1CC[C@@H](NCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131789982 830530096 /nfs/dbraw/zinc/53/00/96/830530096.db2.gz CJHOSHWHLQPFIT-ZIAGYGMSSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131791002 830531884 /nfs/dbraw/zinc/53/18/84/830531884.db2.gz YNPUCLDWLMPJFX-TZMCWYRMSA-N 1 3 322.409 -0.628 20 0 DBADHO C[NH+](C)CCc1ccccc1C(=O)NCCN[C@H]1CCNC1=O ZINC001131799969 830534336 /nfs/dbraw/zinc/53/43/36/830534336.db2.gz ZFBRFFSJZZROLS-HNNXBMFYSA-N 1 3 318.421 -0.001 20 0 DBADHO C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCOCCO ZINC001132278448 830621281 /nfs/dbraw/zinc/62/12/81/830621281.db2.gz PADQXRKWXMTNDQ-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001133285729 830763053 /nfs/dbraw/zinc/76/30/53/830763053.db2.gz GIQKJQIHZZWCEX-GFCCVEGCSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC001133290779 830763312 /nfs/dbraw/zinc/76/33/12/830763312.db2.gz BQGAMAOFANDRQJ-BETUJISGSA-N 1 3 314.430 -0.720 20 0 DBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294498 830764239 /nfs/dbraw/zinc/76/42/39/830764239.db2.gz LDPVXQVJSCPDJK-GFCCVEGCSA-N 1 3 302.419 -0.815 20 0 DBADHO CC(C)[C@H](C(=O)NCCNCC(=O)N1CCOCC1)[NH+](C)C ZINC001133415995 830774401 /nfs/dbraw/zinc/77/44/01/830774401.db2.gz XZCJNYJEGLGNDR-CQSZACIVSA-N 1 3 314.430 -0.863 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001133819867 830830352 /nfs/dbraw/zinc/83/03/52/830830352.db2.gz PZXCDZUNZDJGIW-CHWSQXEVSA-N 1 3 317.455 -0.389 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133824053 830832127 /nfs/dbraw/zinc/83/21/27/830832127.db2.gz WTJZYQFFMHHIDO-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001133853213 830839413 /nfs/dbraw/zinc/83/94/13/830839413.db2.gz FKAHLYUICDMBAG-JTQLQIEISA-N 1 3 324.347 -0.288 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001133853213 830839417 /nfs/dbraw/zinc/83/94/17/830839417.db2.gz FKAHLYUICDMBAG-JTQLQIEISA-N 1 3 324.347 -0.288 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001133851052 830839837 /nfs/dbraw/zinc/83/98/37/830839837.db2.gz VUARXQOCIDWBML-GFCCVEGCSA-N 1 3 310.398 -0.817 20 0 DBADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C)C1CC1 ZINC001133866365 830841949 /nfs/dbraw/zinc/84/19/49/830841949.db2.gz LMPFNHJJBILINX-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C)C1CC1 ZINC001133866365 830841956 /nfs/dbraw/zinc/84/19/56/830841956.db2.gz LMPFNHJJBILINX-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133866940 830843538 /nfs/dbraw/zinc/84/35/38/830843538.db2.gz PZNQXDKCTKOTCQ-TZMCWYRMSA-N 1 3 310.442 -0.242 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133866940 830843545 /nfs/dbraw/zinc/84/35/45/830843545.db2.gz PZNQXDKCTKOTCQ-TZMCWYRMSA-N 1 3 310.442 -0.242 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133866055 830843582 /nfs/dbraw/zinc/84/35/82/830843582.db2.gz GYHZOEQSXBLRPJ-ZJUUUORDSA-N 1 3 324.347 -0.432 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133866055 830843589 /nfs/dbraw/zinc/84/35/89/830843589.db2.gz GYHZOEQSXBLRPJ-ZJUUUORDSA-N 1 3 324.347 -0.432 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869669 830844043 /nfs/dbraw/zinc/84/40/43/830844043.db2.gz ISBDHBIPVAPZCK-STQMWFEESA-N 1 3 314.430 -0.957 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869669 830844033 /nfs/dbraw/zinc/84/40/33/830844033.db2.gz ISBDHBIPVAPZCK-STQMWFEESA-N 1 3 314.430 -0.957 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001133870938 830845973 /nfs/dbraw/zinc/84/59/73/830845973.db2.gz XPEXWGMSNJJZQK-JSGCOSHPSA-N 1 3 322.409 -0.201 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001133870938 830845982 /nfs/dbraw/zinc/84/59/82/830845982.db2.gz XPEXWGMSNJJZQK-JSGCOSHPSA-N 1 3 322.409 -0.201 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001133870940 830847062 /nfs/dbraw/zinc/84/70/62/830847062.db2.gz XPEXWGMSNJJZQK-TZMCWYRMSA-N 1 3 322.409 -0.201 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001133870940 830847068 /nfs/dbraw/zinc/84/70/68/830847068.db2.gz XPEXWGMSNJJZQK-TZMCWYRMSA-N 1 3 322.409 -0.201 20 0 DBADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001133896062 830850936 /nfs/dbraw/zinc/85/09/36/830850936.db2.gz BVSJGFXNYSMQMB-NSHDSACASA-N 1 3 310.398 -0.771 20 0 DBADHO C[C@@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(=O)NC(N)=O ZINC001133908526 830853540 /nfs/dbraw/zinc/85/35/40/830853540.db2.gz VRWAADCPMCBKPR-SNVBAGLBSA-N 1 3 315.418 -0.747 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C ZINC001133965594 830866572 /nfs/dbraw/zinc/86/65/72/830866572.db2.gz AJFPDZAYAAIDLH-RYUDHWBXSA-N 1 3 307.460 -0.287 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001133963721 830866780 /nfs/dbraw/zinc/86/67/80/830866780.db2.gz XZIJNYQEKQGBMX-STQMWFEESA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)N(C)C ZINC001133965662 830867077 /nfs/dbraw/zinc/86/70/77/830867077.db2.gz DJXGEVCNZIMZBQ-OLZOCXBDSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC)N(C)C ZINC001133968061 830867873 /nfs/dbraw/zinc/86/78/73/830867873.db2.gz MCEVUJDWRJZVDG-OLZOCXBDSA-N 1 3 316.446 -0.426 20 0 DBADHO C[C@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCCCC1 ZINC001134756675 830974889 /nfs/dbraw/zinc/97/48/89/830974889.db2.gz IVNUITJTBYFPBW-CHWSQXEVSA-N 1 3 324.425 -0.238 20 0 DBADHO C[C@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)N(C)C ZINC001135118148 831012788 /nfs/dbraw/zinc/01/27/88/831012788.db2.gz HKVYQHWGKBKSHZ-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)NCCN[C@@H]2CCCNC2=O)cn1 ZINC001135118681 831013046 /nfs/dbraw/zinc/01/30/46/831013046.db2.gz PDXAHXDVSYPTGS-CYBMUJFWSA-N 1 3 322.413 -0.957 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183435885 833717220 /nfs/dbraw/zinc/71/72/20/833717220.db2.gz GNJORQMVOYUWIC-MCIONIFRSA-N 1 3 301.431 -0.230 20 0 DBADHO CN1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001183646984 833725687 /nfs/dbraw/zinc/72/56/87/833725687.db2.gz AFZBZOQRGCCADF-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001135512956 831080943 /nfs/dbraw/zinc/08/09/43/831080943.db2.gz CDEVCGDVHDYSAS-GFCCVEGCSA-N 1 3 307.460 -0.285 20 0 DBADHO CCN(CC)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135705663 831110267 /nfs/dbraw/zinc/11/02/67/831110267.db2.gz HGXJHKLCDGJZPA-GHMZBOCLSA-N 1 3 315.418 -0.604 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135981048 831143998 /nfs/dbraw/zinc/14/39/98/831143998.db2.gz WWXHKBRXJFCLPE-QWRGUYRKSA-N 1 3 315.418 -0.604 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001142899007 831221102 /nfs/dbraw/zinc/22/11/02/831221102.db2.gz UCESXUGGVWOGNS-LBPRGKRZSA-N 1 3 307.398 -0.036 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001142899007 831221110 /nfs/dbraw/zinc/22/11/10/831221110.db2.gz UCESXUGGVWOGNS-LBPRGKRZSA-N 1 3 307.398 -0.036 20 0 DBADHO COCCCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408395 833794566 /nfs/dbraw/zinc/79/45/66/833794566.db2.gz RITYGJAWJGSNLP-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146592336 831285887 /nfs/dbraw/zinc/28/58/87/831285887.db2.gz JUZUHPURJBFTNV-MNOVXSKESA-N 1 3 315.418 -0.606 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146718862 831292958 /nfs/dbraw/zinc/29/29/58/831292958.db2.gz ITAWCWLIALDUFB-UHFFFAOYSA-N 1 3 302.419 -0.813 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146718862 831292962 /nfs/dbraw/zinc/29/29/62/831292962.db2.gz ITAWCWLIALDUFB-UHFFFAOYSA-N 1 3 302.419 -0.813 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147212737 831349219 /nfs/dbraw/zinc/34/92/19/831349219.db2.gz WFCBPOJNJRRCHE-AWEZNQCLSA-N 1 3 311.426 -0.376 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147212737 831349223 /nfs/dbraw/zinc/34/92/23/831349223.db2.gz WFCBPOJNJRRCHE-AWEZNQCLSA-N 1 3 311.426 -0.376 20 0 DBADHO COCCOCN1C[C@H]2CN(CC3CC[NH2+]CC3)C[C@@H](C1)O2 ZINC001276713815 833452421 /nfs/dbraw/zinc/45/24/21/833452421.db2.gz MWULTHGJMJUGOG-IYBDPMFKSA-N 1 3 313.442 -0.009 20 0 DBADHO CC[C@H](C)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842453 831411335 /nfs/dbraw/zinc/41/13/35/831411335.db2.gz YNSYSMVOHSLEEJ-LBPRGKRZSA-N 1 3 302.419 -0.815 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877204 831414645 /nfs/dbraw/zinc/41/46/45/831414645.db2.gz GPHQRYPSAOYXKZ-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877204 831414650 /nfs/dbraw/zinc/41/46/50/831414650.db2.gz GPHQRYPSAOYXKZ-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001147899966 831416731 /nfs/dbraw/zinc/41/67/31/831416731.db2.gz FDBQEVNRCPIHGY-CHWSQXEVSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147899966 831416734 /nfs/dbraw/zinc/41/67/34/831416734.db2.gz FDBQEVNRCPIHGY-CHWSQXEVSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(NCCN[C@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001147976806 831420526 /nfs/dbraw/zinc/42/05/26/831420526.db2.gz APJRXVJMGLDROJ-AWEZNQCLSA-N 1 3 320.437 -0.059 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001148642887 831467659 /nfs/dbraw/zinc/46/76/59/831467659.db2.gz PEHYVOXOYLXROT-ZDUSSCGKSA-N 1 3 319.471 -0.141 20 0 DBADHO CN(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1)C1CC1 ZINC001149842510 831573394 /nfs/dbraw/zinc/57/33/94/831573394.db2.gz VTQKLWNQVMTUEH-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1)C1CC1 ZINC001149842510 831573396 /nfs/dbraw/zinc/57/33/96/831573396.db2.gz VTQKLWNQVMTUEH-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](O)CN1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193422 831598106 /nfs/dbraw/zinc/59/81/06/831598106.db2.gz MPTMIFCKLWMGCS-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](C)O)CCCO1 ZINC001150547255 831628704 /nfs/dbraw/zinc/62/87/04/831628704.db2.gz QISALESHKZQKPR-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@H](C)O)CCCO1 ZINC001150547255 831628706 /nfs/dbraw/zinc/62/87/06/831628706.db2.gz QISALESHKZQKPR-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](O)CN1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590117 831632138 /nfs/dbraw/zinc/63/21/38/831632138.db2.gz ZACXOTJMCPJCKV-ZIAGYGMSSA-N 1 3 317.430 -0.848 20 0 DBADHO CC1CCN(C(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001151044661 831659321 /nfs/dbraw/zinc/65/93/21/831659321.db2.gz XMBLAKORCNZXFC-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CC1CCN(C(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001151044661 831659324 /nfs/dbraw/zinc/65/93/24/831659324.db2.gz XMBLAKORCNZXFC-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NCc1ccco1 ZINC001151073661 831662447 /nfs/dbraw/zinc/66/24/47/831662447.db2.gz OLTXOKOBGOSUSC-CHWSQXEVSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NCc1ccco1 ZINC001151073661 831662449 /nfs/dbraw/zinc/66/24/49/831662449.db2.gz OLTXOKOBGOSUSC-CHWSQXEVSA-N 1 3 322.409 -0.058 20 0 DBADHO Cc1nccnc1C[NH2+]CCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001151159361 831669038 /nfs/dbraw/zinc/66/90/38/831669038.db2.gz SKWCPPZYVGJCFG-ZDUSSCGKSA-N 1 3 321.425 -0.041 20 0 DBADHO Cc1cc(C[NH2+]CCNC(=O)[C@@H](C)CN2CCOCC2)ncn1 ZINC001151160796 831669453 /nfs/dbraw/zinc/66/94/53/831669453.db2.gz ZBAXEGRLAGDWGT-ZDUSSCGKSA-N 1 3 321.425 -0.041 20 0 DBADHO O=C(CCC[NH+]1CCCCC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001151361709 831680234 /nfs/dbraw/zinc/68/02/34/831680234.db2.gz OBBXYKVOAOCKDI-ZDUSSCGKSA-N 1 3 324.425 -0.237 20 0 DBADHO O=C(CC[NH+]1CCCCC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001152340473 831742558 /nfs/dbraw/zinc/74/25/58/831742558.db2.gz OSJGDZHTWJCKPD-LBPRGKRZSA-N 1 3 310.398 -0.627 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001152427354 831749941 /nfs/dbraw/zinc/74/99/41/831749941.db2.gz WSSCOUKGDSCSLE-UHFFFAOYSA-N 1 3 319.471 -0.143 20 0 DBADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152433037 831750761 /nfs/dbraw/zinc/75/07/61/831750761.db2.gz RJEGJGVSRPNSHM-UHFFFAOYSA-N 1 3 307.460 -0.143 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001152458425 831753004 /nfs/dbraw/zinc/75/30/04/831753004.db2.gz PTVJBWNBEAXCFU-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001152457689 831753399 /nfs/dbraw/zinc/75/33/99/831753399.db2.gz HBGOEODTNSDQCJ-CYBMUJFWSA-N 1 3 324.425 -0.284 20 0 DBADHO CC(C)[C@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001152480513 831754390 /nfs/dbraw/zinc/75/43/90/831754390.db2.gz VTWSRDIBCKEKBY-TZMCWYRMSA-N 1 3 324.425 -0.382 20 0 DBADHO [NH3+]CC1CN([C@@H]2CCCN(c3ncc4c(n3)CCNC4)C2)C1 ZINC001155371908 831930146 /nfs/dbraw/zinc/93/01/46/831930146.db2.gz DPEYGXHTWJLCOO-CQSZACIVSA-N 1 3 302.426 -0.018 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001155791004 831952946 /nfs/dbraw/zinc/95/29/46/831952946.db2.gz QKNDXMXWVWJNHH-GFCCVEGCSA-N 1 3 320.397 -0.395 20 0 DBADHO CN(c1cccc(N2CCC([NH3+])CC2)n1)S(=O)(=O)CCN ZINC001156238657 831976629 /nfs/dbraw/zinc/97/66/29/831976629.db2.gz LHNQUGDRSFASRI-UHFFFAOYSA-N 1 3 313.427 -0.266 20 0 DBADHO CCOC(=O)c1c[nH]nc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001157448685 832043618 /nfs/dbraw/zinc/04/36/18/832043618.db2.gz FXGVJZMWXMDOQZ-VIFPVBQESA-N 1 3 315.399 -0.778 20 0 DBADHO N[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001157497036 832047659 /nfs/dbraw/zinc/04/76/59/832047659.db2.gz NQRZNADCYKUJBT-UONOGXRCSA-N 1 3 324.425 -0.837 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC001157496113 832047850 /nfs/dbraw/zinc/04/78/50/832047850.db2.gz BXNQGDYZABFADO-STQMWFEESA-N 1 3 312.414 -0.708 20 0 DBADHO N[C@H]1CN(C(=O)[C@@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@H]1F ZINC001157530240 832050662 /nfs/dbraw/zinc/05/06/62/832050662.db2.gz DFSZACHEIXTDFA-AXFHLTTASA-N 1 3 308.361 -0.963 20 0 DBADHO N[C@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@H]2NC3=O)C[C@H]1F ZINC001157559747 832052667 /nfs/dbraw/zinc/05/26/67/832052667.db2.gz IPEATSXMJOMEAM-YIYPIFLZSA-N 1 3 318.352 -0.393 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157590329 832053147 /nfs/dbraw/zinc/05/31/47/832053147.db2.gz FMELNURSTAQJJM-XQQFMLRXSA-N 1 3 304.394 -0.140 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)N(C)C[C@H]2C[NH2+]CCO2)cn1 ZINC001157716643 832058350 /nfs/dbraw/zinc/05/83/50/832058350.db2.gz QFALXMJNXKWYQC-OLZOCXBDSA-N 1 3 308.382 -0.073 20 0 DBADHO CN(C[C@H]1CNCCO1)C(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001157720373 832058363 /nfs/dbraw/zinc/05/83/63/832058363.db2.gz HWMZGAQSARZDPX-CYBMUJFWSA-N 1 3 319.409 -0.448 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157716759 832058551 /nfs/dbraw/zinc/05/85/51/832058551.db2.gz RXGJACPUUWGMKA-AVGNSLFASA-N 1 3 314.430 -0.689 20 0 DBADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(C)C[C@@H]1CNCCO1 ZINC001157720137 832058684 /nfs/dbraw/zinc/05/86/84/832058684.db2.gz ATDZWQBLVJKSFU-STQMWFEESA-N 1 3 300.403 -0.933 20 0 DBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001157843048 832066023 /nfs/dbraw/zinc/06/60/23/832066023.db2.gz OMOAATNSDUQYIA-WOPDTQHZSA-N 1 3 315.439 -0.651 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071101 832087322 /nfs/dbraw/zinc/08/73/22/832087322.db2.gz UTSQXCBBYDJYGU-ZDUSSCGKSA-N 1 3 307.398 -0.729 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077322 832087637 /nfs/dbraw/zinc/08/76/37/832087637.db2.gz SYBFKPSXXDFJGE-YBTHPKLGSA-N 1 3 303.428 -0.937 20 0 DBADHO Cn1nnc2c1ncnc2N1CCC([N@@H+]2CC[C@@H](N)C2)CC1 ZINC001158270520 832102068 /nfs/dbraw/zinc/10/20/68/832102068.db2.gz UMPSYUCKMKDRCD-SNVBAGLBSA-N 1 3 302.386 -0.240 20 0 DBADHO Cn1nnc2c1ncnc2N1CCC([N@H+]2CC[C@@H](N)C2)CC1 ZINC001158270520 832102073 /nfs/dbraw/zinc/10/20/73/832102073.db2.gz UMPSYUCKMKDRCD-SNVBAGLBSA-N 1 3 302.386 -0.240 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC001158312560 832104788 /nfs/dbraw/zinc/10/47/88/832104788.db2.gz CPJWTCNNXZSIGW-CRWXNKLISA-N 1 3 308.426 -0.088 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@H]3[NH2+]C[C@@H]32)COC1(C)C ZINC001158422325 832111417 /nfs/dbraw/zinc/11/14/17/832111417.db2.gz KDUIAGXGIVTVEN-USZNOCQGSA-N 1 3 310.398 -0.740 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158532952 832120680 /nfs/dbraw/zinc/12/06/80/832120680.db2.gz FZHUURPSTSXWCD-OEYIWLLWSA-N 1 3 319.409 -0.731 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158569086 832122607 /nfs/dbraw/zinc/12/26/07/832122607.db2.gz VQAXCWJXYBDFQZ-DCAQKATOSA-N 1 3 301.362 -0.198 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158569085 832122635 /nfs/dbraw/zinc/12/26/35/832122635.db2.gz VQAXCWJXYBDFQZ-AXFHLTTASA-N 1 3 301.362 -0.198 20 0 DBADHO COCCN1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001158605522 832123777 /nfs/dbraw/zinc/12/37/77/832123777.db2.gz YTLLXOBJPNTRSA-AWEZNQCLSA-N 1 3 310.442 -0.349 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1cc3c(nn1)CCNC3)CC2 ZINC001158634124 832125934 /nfs/dbraw/zinc/12/59/34/832125934.db2.gz CPHABUOUULZSSG-CJNGLKHVSA-N 1 3 317.393 -0.146 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@@H]1C[NH2+]C[C@@H]1O)C2 ZINC001158856739 832141827 /nfs/dbraw/zinc/14/18/27/832141827.db2.gz QHWZFVRJIFBZQR-DOMZBBRYSA-N 1 3 321.425 -0.285 20 0 DBADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1[C@@H]3C[NH2+]C[C@@H]31)CC2 ZINC001158890183 832142922 /nfs/dbraw/zinc/14/29/22/832142922.db2.gz BDLJKPJZNTVYDV-NHAGDIPZSA-N 1 3 320.437 -0.345 20 0 DBADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001185676159 833805347 /nfs/dbraw/zinc/80/53/47/833805347.db2.gz NHMMQFNEFWVJDX-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185668866 833805478 /nfs/dbraw/zinc/80/54/78/833805478.db2.gz KIWGCEUNLPDUOB-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001185668866 833805479 /nfs/dbraw/zinc/80/54/79/833805479.db2.gz KIWGCEUNLPDUOB-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001185716183 833808319 /nfs/dbraw/zinc/80/83/19/833808319.db2.gz RQBHQGCTJKXDDD-AXFHLTTASA-N 1 3 313.402 -0.900 20 0 DBADHO CN(C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001269248780 832397539 /nfs/dbraw/zinc/39/75/39/832397539.db2.gz RACOWXBLYARZFN-PBHICJAKSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1CC[C@@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001269248780 832397549 /nfs/dbraw/zinc/39/75/49/832397549.db2.gz RACOWXBLYARZFN-PBHICJAKSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C)CCO1 ZINC001270979849 832602132 /nfs/dbraw/zinc/60/21/32/832602132.db2.gz LBRRAZRWTRLTCR-SOUVJXGZSA-N 1 3 310.442 -0.446 20 0 DBADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C)CCO1 ZINC001270979849 832602134 /nfs/dbraw/zinc/60/21/34/832602134.db2.gz LBRRAZRWTRLTCR-SOUVJXGZSA-N 1 3 310.442 -0.446 20 0 DBADHO C[C@H](C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)N1CCCC1 ZINC001271213547 832639630 /nfs/dbraw/zinc/63/96/30/832639630.db2.gz ASSXTJYZAIALQT-OAGGEKHMSA-N 1 3 324.469 -0.056 20 0 DBADHO C[C@@H](C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)N1CCCC1 ZINC001271214098 832640121 /nfs/dbraw/zinc/64/01/21/832640121.db2.gz MKVYLBBJQHOKKB-JYJNAYRXSA-N 1 3 324.469 -0.056 20 0 DBADHO CN1CCC(O)(C(=O)N2CC3(CN(CC[NH+](C)C)C3)C2)CC1 ZINC001271803261 832702960 /nfs/dbraw/zinc/70/29/60/832702960.db2.gz ACIDWPKDZHJWCA-UHFFFAOYSA-N 1 3 310.442 -0.851 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)C1CC1 ZINC001159931847 832860501 /nfs/dbraw/zinc/86/05/01/832860501.db2.gz JVXJPUMXLKTJSR-CYBMUJFWSA-N 1 3 311.430 -0.552 20 0 DBADHO C[NH+](C)CCN1CCC2(CN(C(=O)CN3CC[C@@H](O)C3)C2)C1 ZINC001273070191 832873479 /nfs/dbraw/zinc/87/34/79/832873479.db2.gz VEMHSSYVZPUEHK-CQSZACIVSA-N 1 3 310.442 -0.851 20 0 DBADHO CN(C)CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@@H](O)C3)C2)C1 ZINC001273070191 832873488 /nfs/dbraw/zinc/87/34/88/832873488.db2.gz VEMHSSYVZPUEHK-CQSZACIVSA-N 1 3 310.442 -0.851 20 0 DBADHO CN(C)CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@@H](O)C3)C2)C1 ZINC001273070191 832873498 /nfs/dbraw/zinc/87/34/98/832873498.db2.gz VEMHSSYVZPUEHK-CQSZACIVSA-N 1 3 310.442 -0.851 20 0 DBADHO NC[C@H](N)C(=O)N(c1ccccn1)[C@@H]1C[NH2+]C[C@@H]2CCCO[C@H]12 ZINC001160139019 832877383 /nfs/dbraw/zinc/87/73/83/832877383.db2.gz SSGPNXANCHCGEN-XPCVCDNBSA-N 1 3 319.409 -0.532 20 0 DBADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@H](N)CCC[NH3+])CCC2 ZINC001160323162 832894505 /nfs/dbraw/zinc/89/45/05/832894505.db2.gz INVQVSNUAFKFLD-GFCCVEGCSA-N 1 3 322.413 -0.682 20 0 DBADHO C[NH2+]CC1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001160456284 832906675 /nfs/dbraw/zinc/90/66/75/832906675.db2.gz FRBUUOZFFCRPEE-LBPRGKRZSA-N 1 3 315.439 -0.779 20 0 DBADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460753 832908506 /nfs/dbraw/zinc/90/85/06/832908506.db2.gz FHFAWZPZWYKUOW-GJZGRUSLSA-N 1 3 322.453 -0.206 20 0 DBADHO CC(C)[C@H](C(=O)N1CCO[C@H](C[NH2+]CCCO)C1)N(C)C ZINC001273314584 832911462 /nfs/dbraw/zinc/91/14/62/832911462.db2.gz BFWQKGZWUSFAOD-ZIAGYGMSSA-N 1 3 301.431 -0.228 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCO[C@H](C(F)(F)F)C1 ZINC001160704519 832935315 /nfs/dbraw/zinc/93/53/15/832935315.db2.gz FJVQUYYOXQONMF-YUMQZZPRSA-N 1 3 301.334 -0.205 20 0 DBADHO CCN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCCN1C ZINC001273555174 832937936 /nfs/dbraw/zinc/93/79/36/832937936.db2.gz WTOZWDOHLOHBCG-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO CCOC(=O)[C@]12CN(C(=O)Cc3c[nH]cn3)C[C@H]1C[NH2+]CC2 ZINC001160805762 832944545 /nfs/dbraw/zinc/94/45/45/832944545.db2.gz FHKZOPDTCFEPNH-IAQYHMDHSA-N 1 3 306.366 -0.047 20 0 DBADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001160805642 832944981 /nfs/dbraw/zinc/94/49/81/832944981.db2.gz DUKSOFDCCANKED-LLVKDONJSA-N 1 3 323.397 -0.489 20 0 DBADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160822946 832946688 /nfs/dbraw/zinc/94/66/88/832946688.db2.gz AHQMMZVAKVNTFB-AAEUAGOBSA-N 1 3 323.397 -0.145 20 0 DBADHO COC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CCN1C ZINC001160870866 832954665 /nfs/dbraw/zinc/95/46/65/832954665.db2.gz OHMDKMNXBIMNDW-CHWSQXEVSA-N 1 3 324.425 -0.824 20 0 DBADHO COC(=O)[C@H]1CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CCN1C ZINC001160870866 832954669 /nfs/dbraw/zinc/95/46/69/832954669.db2.gz OHMDKMNXBIMNDW-CHWSQXEVSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001160889678 832956920 /nfs/dbraw/zinc/95/69/20/832956920.db2.gz OXXPALKKKJGXKA-GFCCVEGCSA-N 1 3 307.460 -0.143 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001160883628 832957366 /nfs/dbraw/zinc/95/73/66/832957366.db2.gz QMUMFYBTKAKXFB-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCCCOC)N(C)C ZINC001160883238 832957385 /nfs/dbraw/zinc/95/73/85/832957385.db2.gz IKRPIHXXVGSYEL-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001273716021 832957384 /nfs/dbraw/zinc/95/73/84/832957384.db2.gz DBICCJOUSVOURE-LBPRGKRZSA-N 1 3 312.414 -0.429 20 0 DBADHO CC(C)(C)C(=O)N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160948722 832960857 /nfs/dbraw/zinc/96/08/57/832960857.db2.gz OTFALNVVWNMFRF-GFCCVEGCSA-N 1 3 308.426 -0.488 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001273775434 832963775 /nfs/dbraw/zinc/96/37/75/832963775.db2.gz YZLBJWTVEMJPRV-GOEBONIOSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001273775434 832963776 /nfs/dbraw/zinc/96/37/76/832963776.db2.gz YZLBJWTVEMJPRV-GOEBONIOSA-N 1 3 311.426 -0.112 20 0 DBADHO NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001161034329 832968856 /nfs/dbraw/zinc/96/88/56/832968856.db2.gz GOFUQXINCHZTRO-JSGCOSHPSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)[C@H]1CCCC[C@@H]1[NH3+] ZINC001161058291 832971570 /nfs/dbraw/zinc/97/15/70/832971570.db2.gz QZNKIMTUARUVNH-SRVKXCTJSA-N 1 3 315.439 -0.509 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001178356428 833502805 /nfs/dbraw/zinc/50/28/05/833502805.db2.gz MOKIHAHSVFEIDG-UBHSHLNASA-N 1 3 308.426 -0.062 20 0 DBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716525 833521318 /nfs/dbraw/zinc/52/13/18/833521318.db2.gz RRKQEZSQRLNVMC-UBHSHLNASA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)[C@@H]2C)CC[N@@H+]1C ZINC001178730755 833522265 /nfs/dbraw/zinc/52/22/65/833522265.db2.gz AYGCRFZUMWPCGS-RQJABVFESA-N 1 3 310.442 -0.006 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)[C@@H]2C)CC[N@H+]1C ZINC001178730755 833522268 /nfs/dbraw/zinc/52/22/68/833522268.db2.gz AYGCRFZUMWPCGS-RQJABVFESA-N 1 3 310.442 -0.006 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179538429 833549912 /nfs/dbraw/zinc/54/99/12/833549912.db2.gz DHRNERYXYQZECQ-BARDWOONSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)COCC[NH+](C)C ZINC001179933548 833563761 /nfs/dbraw/zinc/56/37/61/833563761.db2.gz GWXQQOYREISXFF-STQMWFEESA-N 1 3 314.430 -0.768 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1CCCC1 ZINC001180136242 833570495 /nfs/dbraw/zinc/57/04/95/833570495.db2.gz UDJFEKMBBPACLP-JSGCOSHPSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001181652905 833638712 /nfs/dbraw/zinc/63/87/12/833638712.db2.gz RKQKRKUKHMWIPH-ZIAGYGMSSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CCC(=O)N1CC[C@@H](NCC(=O)NCC(F)(F)F)C1 ZINC001185384300 833793620 /nfs/dbraw/zinc/79/36/20/833793620.db2.gz AMKMFBDPWZYQFB-SNVBAGLBSA-N 1 3 324.347 -0.193 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001185926449 833818035 /nfs/dbraw/zinc/81/80/35/833818035.db2.gz WTBZIMACYAGIOW-TZMCWYRMSA-N 1 3 318.381 -0.600 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001186496657 833853935 /nfs/dbraw/zinc/85/39/35/833853935.db2.gz ONTMDHXQXBQBDG-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@H](C[NH2+]CCO)C2(C1)CCOCC2 ZINC001186512881 833854776 /nfs/dbraw/zinc/85/47/76/833854776.db2.gz OFZYLJKMSSRVJB-ZDUSSCGKSA-N 1 3 322.409 -0.211 20 0 DBADHO CN(C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001187817573 833951621 /nfs/dbraw/zinc/95/16/21/833951621.db2.gz IGIOFNLKFHHXAD-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001187817573 833951628 /nfs/dbraw/zinc/95/16/28/833951628.db2.gz IGIOFNLKFHHXAD-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187818539 833951866 /nfs/dbraw/zinc/95/18/66/833951866.db2.gz QMMDISULXCNGNJ-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187818539 833951874 /nfs/dbraw/zinc/95/18/74/833951874.db2.gz QMMDISULXCNGNJ-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CCN(C(=O)CN2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)CC1 ZINC001277631013 833977578 /nfs/dbraw/zinc/97/75/78/833977578.db2.gz CRUYGVAKRXKPCH-JKSUJKDBSA-N 1 3 323.485 -0.672 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001188963775 834031507 /nfs/dbraw/zinc/03/15/07/834031507.db2.gz ROAJBYNUUAOQNW-MELADBBJSA-N 1 3 320.437 -0.251 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001188978635 834032809 /nfs/dbraw/zinc/03/28/09/834032809.db2.gz BNCKZIVTIGIGSE-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO O=C(N1CC[C@H]2CN(CCOCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001189801555 834113546 /nfs/dbraw/zinc/11/35/46/834113546.db2.gz HXANVGJXHSJSTI-LSDHHAIUSA-N 1 3 323.437 -0.376 20 0 DBADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1)C1CC1 ZINC001190656323 834178306 /nfs/dbraw/zinc/17/83/06/834178306.db2.gz RXRJQZFTJXATNG-GJZGRUSLSA-N 1 3 313.442 -0.132 20 0 DBADHO CN(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)C1CC1 ZINC001190656323 834178309 /nfs/dbraw/zinc/17/83/09/834178309.db2.gz RXRJQZFTJXATNG-GJZGRUSLSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001190901314 834203688 /nfs/dbraw/zinc/20/36/88/834203688.db2.gz XLFKWUSCFXENOB-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001190901314 834203695 /nfs/dbraw/zinc/20/36/95/834203695.db2.gz XLFKWUSCFXENOB-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046076 834320334 /nfs/dbraw/zinc/32/03/34/834320334.db2.gz JWEKNLGFQXNPFI-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO CCOC(=O)CS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244227 834350618 /nfs/dbraw/zinc/35/06/18/834350618.db2.gz YJJVFPPWFJCWLF-NSHDSACASA-N 1 3 319.427 -0.657 20 0 DBADHO COC(=O)c1ccc([C@H](N)CNS(=O)(=O)CC[NH3+])cc1 ZINC001238920667 834372147 /nfs/dbraw/zinc/37/21/47/834372147.db2.gz XWEONWAKDVGKBB-LLVKDONJSA-N 1 3 301.368 -0.649 20 0 DBADHO O=S(=O)([C@@H]1CC[NH2+]C1)N1CCNC[C@@]2(CCCCN2)C1 ZINC001239014130 834376689 /nfs/dbraw/zinc/37/66/89/834376689.db2.gz IWCPTEULJHJGHD-OLZOCXBDSA-N 1 3 302.444 -0.904 20 0 DBADHO CCOC(=O)[C@@]12CN(S(=O)(=O)CCN)C[C@@H]1CC[NH2+]CC2 ZINC001239064300 834378722 /nfs/dbraw/zinc/37/87/22/834378722.db2.gz TXEFEVIDJBUBAI-AAEUAGOBSA-N 1 3 319.427 -0.860 20 0 DBADHO C[C@@H](CC(=O)N1CCOCC1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246082789 834416059 /nfs/dbraw/zinc/41/60/59/834416059.db2.gz MUJVPEONOZCGOW-SGMGOOAPSA-N 1 3 303.378 -0.724 20 0 DBADHO C[C@@H](CN1CC[NH2+]CC1)N[C@@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246079166 834416377 /nfs/dbraw/zinc/41/63/77/834416377.db2.gz JGUCOUSPNRLDPQ-IHRRRGAJSA-N 1 3 312.458 -0.058 20 0 DBADHO C[C@H](N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CNCCO1 ZINC001246288483 834427288 /nfs/dbraw/zinc/42/72/88/834427288.db2.gz AZNIHUSQUQMPST-CYDGBPFRSA-N 1 3 314.455 -0.784 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CO1 ZINC001246412241 834433935 /nfs/dbraw/zinc/43/39/35/834433935.db2.gz ADYOVDNWIVBODJ-WOPDTQHZSA-N 1 3 301.387 -0.330 20 0 DBADHO CN(C[C@H]1CNCCO1)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246551074 834440591 /nfs/dbraw/zinc/44/05/91/834440591.db2.gz OUWFAYBEAYDXLV-UPJWGTAASA-N 1 3 314.455 -0.830 20 0 DBADHO O=C1CCC[C@]2(CNCC[N@@H+](C3C[C@@H]4COC[C@H](C3)N4)C2)N1 ZINC001246649134 834444989 /nfs/dbraw/zinc/44/49/89/834444989.db2.gz AIPXWFZGPSZBLK-LBEMJPCMSA-N 1 3 308.426 -0.550 20 0 DBADHO O=C1CCC[C@]2(CNCC[N@H+](C3C[C@@H]4COC[C@H](C3)N4)C2)N1 ZINC001246649134 834444994 /nfs/dbraw/zinc/44/49/94/834444994.db2.gz AIPXWFZGPSZBLK-LBEMJPCMSA-N 1 3 308.426 -0.550 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001192946689 834446056 /nfs/dbraw/zinc/44/60/56/834446056.db2.gz DGKVKRYABQYYCT-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001192946689 834446059 /nfs/dbraw/zinc/44/60/59/834446059.db2.gz DGKVKRYABQYYCT-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO O=C1C[C@@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CCN1 ZINC001246668488 834446819 /nfs/dbraw/zinc/44/68/19/834446819.db2.gz NPHPVKITYZPPJU-ZDUSSCGKSA-N 1 3 321.425 -0.261 20 0 DBADHO CC(=O)N1CCC[C@]2(C1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246760751 834452675 /nfs/dbraw/zinc/45/26/75/834452675.db2.gz QOTVIGUTSGIDCT-WBVHZDCISA-N 1 3 322.453 -0.206 20 0 DBADHO COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)CN1 ZINC001246750979 834452992 /nfs/dbraw/zinc/45/29/92/834452992.db2.gz WRABNTKSUQLOPL-ZQDZILKHSA-N 1 3 310.442 -0.400 20 0 DBADHO COC(=O)[C@@H]1C[C@H](N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)CN1 ZINC001246750979 834452996 /nfs/dbraw/zinc/45/29/96/834452996.db2.gz WRABNTKSUQLOPL-ZQDZILKHSA-N 1 3 310.442 -0.400 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C1C[C@@H]3COC[C@H](C1)N3)CC2 ZINC001246988731 834466987 /nfs/dbraw/zinc/46/69/87/834466987.db2.gz QDQNBVBEFYFMOP-LOBYFDBNSA-N 1 3 309.410 -0.267 20 0 DBADHO C[C@H]1C[C@@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)CC[NH2+]1 ZINC001247009812 834467694 /nfs/dbraw/zinc/46/76/94/834467694.db2.gz MDFPUDLLGZABBG-WJTVCTBASA-N 1 3 301.412 -0.728 20 0 DBADHO C[C@H]1CC[C@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)C[NH2+]1 ZINC001247008793 834468175 /nfs/dbraw/zinc/46/81/75/834468175.db2.gz LFWASBSXSXDHQI-WJTVCTBASA-N 1 3 301.412 -0.728 20 0 DBADHO C[C@@H](C1CC[NH2+]CC1)N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247010381 834469104 /nfs/dbraw/zinc/46/91/04/834469104.db2.gz OCHVRRXNKATLCP-GHYVTOPFSA-N 1 3 315.439 -0.481 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@H]1CCOC2(CNC2)C1 ZINC001247009815 834469265 /nfs/dbraw/zinc/46/92/65/834469265.db2.gz MEAJMVWXGOKIKK-FRRDWIJNSA-N 1 3 315.439 -0.479 20 0 DBADHO C[C@@H]1CC[NH2+]CC[C@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247012550 834469504 /nfs/dbraw/zinc/46/95/04/834469504.db2.gz UGMJJISNTSSCLS-POQQGIQPSA-N 1 3 315.439 -0.481 20 0 DBADHO NC(=O)C[C@H](N)Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249345572 834477249 /nfs/dbraw/zinc/47/72/49/834477249.db2.gz WHYCSGRSRDFLGA-VIFPVBQESA-N 1 3 302.338 -0.478 20 0 DBADHO CN(CCOCCO)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193464059 834499506 /nfs/dbraw/zinc/49/95/06/834499506.db2.gz ZYNOOUXBOSRXGY-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCOCCO)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193464059 834499511 /nfs/dbraw/zinc/49/95/11/834499511.db2.gz ZYNOOUXBOSRXGY-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCn1cccn1)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488210 834502910 /nfs/dbraw/zinc/50/29/10/834502910.db2.gz MSFINNYZCMEXLP-HNNXBMFYSA-N 1 3 323.441 -0.006 20 0 DBADHO C[C@@]1(C2CC[NH+](C[C@@H](O)CN3CCCC3)CC2)NC(=O)NC1=O ZINC001252732667 834550512 /nfs/dbraw/zinc/55/05/12/834550512.db2.gz KNWMYOZQQQYDHC-BBRMVZONSA-N 1 3 324.425 -0.247 20 0 DBADHO CC[NH+](CC)C[C@@H](O)CNCCC(=O)N1CCN(C)CC1 ZINC001253208996 834565519 /nfs/dbraw/zinc/56/55/19/834565519.db2.gz VSDDHANFDXQFJG-AWEZNQCLSA-N 1 3 300.447 -0.557 20 0 DBADHO CC[NH+](CC)C[C@H](O)CNCCC(=O)NCCc1c[nH]cn1 ZINC001253215002 834565637 /nfs/dbraw/zinc/56/56/37/834565637.db2.gz UZMNQLZNRNQMQX-CQSZACIVSA-N 1 3 311.430 -0.249 20 0 DBADHO CC[NH+](CC)C[C@H](O)CNCCC(=O)NCCc1cnc[nH]1 ZINC001253215002 834565642 /nfs/dbraw/zinc/56/56/42/834565642.db2.gz UZMNQLZNRNQMQX-CQSZACIVSA-N 1 3 311.430 -0.249 20 0 DBADHO COC[C@@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284052 834585194 /nfs/dbraw/zinc/58/51/94/834585194.db2.gz FRLBXBNPEJTPPS-KBPBESRZSA-N 1 3 301.431 -0.133 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284052 834585204 /nfs/dbraw/zinc/58/52/04/834585204.db2.gz FRLBXBNPEJTPPS-KBPBESRZSA-N 1 3 301.431 -0.133 20 0 DBADHO CN1CC[C@@H](N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001255428748 834608987 /nfs/dbraw/zinc/60/89/87/834608987.db2.gz PPNLZLVUXSXRBD-SNVBAGLBSA-N 1 3 314.411 -0.214 20 0 DBADHO CS(=O)(=O)N1CCC(N2CCN(CCCC[NH3+])CC2)CC1 ZINC001257230963 834646547 /nfs/dbraw/zinc/64/65/47/834646547.db2.gz OQNPWDGCTXCJHE-UHFFFAOYSA-N 1 3 318.487 -0.233 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@H]2O)CC1 ZINC001195677576 834716018 /nfs/dbraw/zinc/71/60/18/834716018.db2.gz SXLDHFFXYGVFRQ-BFHYXJOUSA-N 1 3 311.426 -0.474 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@H]1O ZINC001195700737 834717452 /nfs/dbraw/zinc/71/74/52/834717452.db2.gz GXOVPLIYPGFMMN-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708605 834717977 /nfs/dbraw/zinc/71/79/77/834717977.db2.gz PPGNZRFJRDCSKD-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO COC[C@@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894498 834733662 /nfs/dbraw/zinc/73/36/62/834733662.db2.gz ZGOHNWRTMLJUAG-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO COC[C@@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894498 834733667 /nfs/dbraw/zinc/73/36/67/834733667.db2.gz ZGOHNWRTMLJUAG-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1O ZINC001197535758 834880823 /nfs/dbraw/zinc/88/08/23/834880823.db2.gz CTPCNFSEQPZZHP-MGPQQGTHSA-N 1 3 301.431 -0.350 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1O ZINC001197535758 834880836 /nfs/dbraw/zinc/88/08/36/834880836.db2.gz CTPCNFSEQPZZHP-MGPQQGTHSA-N 1 3 301.431 -0.350 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCN(C[C@H](O)COC)CC1 ZINC001197706440 834895973 /nfs/dbraw/zinc/89/59/73/834895973.db2.gz ILXNUPBVDQXDQN-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCN(C[C@H](O)COC)CC1 ZINC001197706440 834895983 /nfs/dbraw/zinc/89/59/83/834895983.db2.gz ILXNUPBVDQXDQN-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO COCC[C@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001262035405 834897199 /nfs/dbraw/zinc/89/71/99/834897199.db2.gz IVDCUSJWLCROKM-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO COCC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001262035404 834897667 /nfs/dbraw/zinc/89/76/67/834897667.db2.gz IVDCUSJWLCROKM-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001262071189 834902642 /nfs/dbraw/zinc/90/26/42/834902642.db2.gz SVEAZNLSZSSYEG-BZPMIXESSA-N 1 3 324.425 -0.696 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197792864 834904552 /nfs/dbraw/zinc/90/45/52/834904552.db2.gz RRTSYHSDPIZDST-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197792864 834904557 /nfs/dbraw/zinc/90/45/57/834904557.db2.gz RRTSYHSDPIZDST-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001197817542 834906127 /nfs/dbraw/zinc/90/61/27/834906127.db2.gz LOVHWVDSAQTEJJ-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO COC[C@H](O)CN1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001197817542 834906131 /nfs/dbraw/zinc/90/61/31/834906131.db2.gz LOVHWVDSAQTEJJ-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO COC[C@@H](O)CN1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001197817540 834907121 /nfs/dbraw/zinc/90/71/21/834907121.db2.gz LOVHWVDSAQTEJJ-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO COC[C@@H](O)CN1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001197817540 834907124 /nfs/dbraw/zinc/90/71/24/834907124.db2.gz LOVHWVDSAQTEJJ-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCNC1=O ZINC001265142885 835098902 /nfs/dbraw/zinc/09/89/02/835098902.db2.gz SRKORSQTJBVEAI-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C([C@@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCCO)CC1 ZINC001200657721 835144693 /nfs/dbraw/zinc/14/46/93/835144693.db2.gz AFIMHNIWGKIELV-GJZGRUSLSA-N 1 3 311.426 -0.187 20 0 DBADHO C[NH+](C)[C@H](C(=O)N1CCCO[C@H](CNCC(N)=O)C1)C1CC1 ZINC001200689052 835145230 /nfs/dbraw/zinc/14/52/30/835145230.db2.gz ZHTBYSOTWFYOEZ-OCCSQVGLSA-N 1 3 312.414 -0.981 20 0 DBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001265494648 835147947 /nfs/dbraw/zinc/14/79/47/835147947.db2.gz RUMVIUDUHFAMRQ-ZJQBRPOHSA-N 1 3 324.425 -0.385 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001265496355 835148168 /nfs/dbraw/zinc/14/81/68/835148168.db2.gz RLJHQVRWWSTPNX-BJDJZHNGSA-N 1 3 310.398 -0.631 20 0 DBADHO C[C@@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201262943 835178246 /nfs/dbraw/zinc/17/82/46/835178246.db2.gz WHOPMVBKFQKTLN-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CC(C)[C@H](C(=O)N1CCCO[C@H](CNCC(N)=O)C1)[NH+](C)C ZINC001201343147 835184666 /nfs/dbraw/zinc/18/46/66/835184666.db2.gz BBTAAGYFYWJACM-TZMCWYRMSA-N 1 3 314.430 -0.735 20 0 DBADHO CC(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)N(C)C ZINC001201344397 835185310 /nfs/dbraw/zinc/18/53/10/835185310.db2.gz REACJRPRZXGYRN-UONOGXRCSA-N 1 3 301.431 -0.228 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201924111 835219629 /nfs/dbraw/zinc/21/96/29/835219629.db2.gz CJLSPJTYIUTGPI-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201924111 835219632 /nfs/dbraw/zinc/21/96/32/835219632.db2.gz CJLSPJTYIUTGPI-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001201924836 835220048 /nfs/dbraw/zinc/22/00/48/835220048.db2.gz UMEWSOPTSYRWQV-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496729 835251535 /nfs/dbraw/zinc/25/15/35/835251535.db2.gz WDWDZRQPMWOGHX-ZFWWWQNUSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H](C(=O)N1CCC([NH2+]CCOCCO)CC1)N(C)C ZINC001202531208 835253203 /nfs/dbraw/zinc/25/32/03/835253203.db2.gz CGJZXOOBTNZDHB-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCCN2CCN(CCO)CC2)C1 ZINC001266275886 835262593 /nfs/dbraw/zinc/26/25/93/835262593.db2.gz QBDXZVQFERCXBD-HNNXBMFYSA-N 1 3 312.458 -0.556 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NCCCN2CCN(CCO)CC2)C1 ZINC001266275886 835262601 /nfs/dbraw/zinc/26/26/01/835262601.db2.gz QBDXZVQFERCXBD-HNNXBMFYSA-N 1 3 312.458 -0.556 20 0 DBADHO C[C@@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)C[NH2+]C[C@@H]1O ZINC001204856061 835329669 /nfs/dbraw/zinc/32/96/69/835329669.db2.gz FCRWIUUNYJPHNJ-SWLSCSKDSA-N 1 3 301.350 -0.001 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001266569706 835339269 /nfs/dbraw/zinc/33/92/69/835339269.db2.gz JCGWBIVUCIMFNG-NWDGAFQWSA-N 1 3 310.398 -0.678 20 0 DBADHO NC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001205345785 835340028 /nfs/dbraw/zinc/34/00/28/835340028.db2.gz YKKHJFQMKOAYFA-KBPBESRZSA-N 1 3 324.425 -0.837 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCCS(C)(=O)=O)CC[N@@H+]1C ZINC001266704036 835365178 /nfs/dbraw/zinc/36/51/78/835365178.db2.gz RHPLPDRIRRUXGB-VXGBXAGGSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)CCNCCS(C)(=O)=O)CC[N@H+]1C ZINC001266704036 835365187 /nfs/dbraw/zinc/36/51/87/835365187.db2.gz RHPLPDRIRRUXGB-VXGBXAGGSA-N 1 3 305.444 -0.581 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CC[C@H](N)[C@@H](F)CC2)O1 ZINC001206156350 835381832 /nfs/dbraw/zinc/38/18/32/835381832.db2.gz QIEGMLHHVBUFDX-IEECTRCBSA-N 1 3 306.378 -0.379 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@H](N)[C@@H](F)CC2)O1 ZINC001206156350 835381842 /nfs/dbraw/zinc/38/18/42/835381842.db2.gz QIEGMLHHVBUFDX-IEECTRCBSA-N 1 3 306.378 -0.379 20 0 DBADHO CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798883 835385736 /nfs/dbraw/zinc/38/57/36/835385736.db2.gz XEJTTZOKJOQCOW-LBPRGKRZSA-N 1 3 324.425 -0.286 20 0 DBADHO CN(CCNCCS(C)(=O)=O)C(=O)C1CC[NH+](C)CC1 ZINC001266827034 835391274 /nfs/dbraw/zinc/39/12/74/835391274.db2.gz GFKZTGXOOQODGX-UHFFFAOYSA-N 1 3 305.444 -0.579 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001206401964 835394696 /nfs/dbraw/zinc/39/46/96/835394696.db2.gz HYFLFBQDQGHYGM-UHFFFAOYSA-N 1 3 310.398 -0.211 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001266904633 835404067 /nfs/dbraw/zinc/40/40/67/835404067.db2.gz GGNRZVBFECFVSI-XJBAAKRRSA-N 1 3 322.409 -0.822 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001266904633 835404071 /nfs/dbraw/zinc/40/40/71/835404071.db2.gz GGNRZVBFECFVSI-XJBAAKRRSA-N 1 3 322.409 -0.822 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CCCC[C@H](C[NH3+])C2)O1 ZINC001206606384 835405459 /nfs/dbraw/zinc/40/54/59/835405459.db2.gz MEUGLJWHSVXMME-YIYPIFLZSA-N 1 3 302.415 -0.080 20 0 DBADHO CN(CCNCC(=O)NCC1CCC1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267071042 835439351 /nfs/dbraw/zinc/43/93/51/835439351.db2.gz CAKNEYXEKIUHLG-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CCNCC(=O)NCC1CCC1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267071042 835439357 /nfs/dbraw/zinc/43/93/57/835439357.db2.gz CAKNEYXEKIUHLG-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001267387043 835500196 /nfs/dbraw/zinc/50/01/96/835500196.db2.gz DHJRSYUERKSRDA-AAEUAGOBSA-N 1 3 312.414 -0.574 20 0 DBADHO C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001268369309 835678588 /nfs/dbraw/zinc/67/85/88/835678588.db2.gz VEAWTFGDPWEDPW-VXGBXAGGSA-N 1 3 324.425 -0.240 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCNC(=O)C1CC1 ZINC001268524883 835717717 /nfs/dbraw/zinc/71/77/17/835717717.db2.gz WKURXPIVHHXVHV-SFAKSCPVSA-N 1 3 308.426 -0.131 20 0 DBADHO CN(C)C1(C(=O)N(C)CCC[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001268797506 835808753 /nfs/dbraw/zinc/80/87/53/835808753.db2.gz QBPBOTKFIRYIGO-LBPRGKRZSA-N 1 3 324.425 -0.286 20 0 DBADHO CC[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001268801105 835811235 /nfs/dbraw/zinc/81/12/35/835811235.db2.gz WMGCOBXHZRSOCN-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCOCCO ZINC001485302062 1013106358 /nfs/dbraw/zinc/10/63/58/1013106358.db2.gz KZJDZLMMWVNXED-DZGCQCFKSA-N 1 3 313.442 -0.226 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001485625052 1013300900 /nfs/dbraw/zinc/30/09/00/1013300900.db2.gz ZWJWABUMTNREBI-FQUUOJAGSA-N 1 3 308.426 -0.489 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001485625052 1013300909 /nfs/dbraw/zinc/30/09/09/1013300909.db2.gz ZWJWABUMTNREBI-FQUUOJAGSA-N 1 3 308.426 -0.489 20 0 DBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001485918294 1013431548 /nfs/dbraw/zinc/43/15/48/1013431548.db2.gz CFPOFCDSFVWJQS-LBPRGKRZSA-N 1 3 319.471 -0.191 20 0 DBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001486243142 1013726037 /nfs/dbraw/zinc/72/60/37/1013726037.db2.gz QOSCEPVXAUKGIT-OLZOCXBDSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001486283395 1013786174 /nfs/dbraw/zinc/78/61/74/1013786174.db2.gz WOWAEUIJISWFOM-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001486283395 1013786188 /nfs/dbraw/zinc/78/61/88/1013786188.db2.gz WOWAEUIJISWFOM-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CC(C)(C)[C@@H](CNCC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486397265 1013834607 /nfs/dbraw/zinc/83/46/07/1013834607.db2.gz LIHQNMXKJKDCNS-QWHCGFSZSA-N 1 3 310.442 -0.066 20 0 DBADHO CC(C)(C)[C@H](CNCC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001486397266 1013834961 /nfs/dbraw/zinc/83/49/61/1013834961.db2.gz LIHQNMXKJKDCNS-STQMWFEESA-N 1 3 310.442 -0.066 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001486457592 1013843472 /nfs/dbraw/zinc/84/34/72/1013843472.db2.gz GKUVIICWSDDQMS-RUXDESIVSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H](NCCOCCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001486497003 1013851150 /nfs/dbraw/zinc/85/11/50/1013851150.db2.gz AOOMOICZUATHDW-GFCCVEGCSA-N 1 3 314.430 -0.733 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCO[C@H](CN[C@H]3CCNC3=O)C2)CC1 ZINC001051802678 977491161 /nfs/dbraw/zinc/49/11/61/977491161.db2.gz ZMLALMKFAQQMMN-KGLIPLIRSA-N 1 3 324.425 -0.966 20 0 DBADHO Cn1cncc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051931112 977565142 /nfs/dbraw/zinc/56/51/42/977565142.db2.gz TZEGSCZCYBLDCZ-UKRRQHHQSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cncc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931112 977565152 /nfs/dbraw/zinc/56/51/52/977565152.db2.gz TZEGSCZCYBLDCZ-UKRRQHHQSA-N 1 3 321.425 -0.311 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1C(=O)CCC1=O ZINC001528540726 1014433935 /nfs/dbraw/zinc/43/39/35/1014433935.db2.gz OLSKGSOVPAEFHU-LBPRGKRZSA-N 1 3 312.414 -0.476 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1C(=O)CCC1=O ZINC001528540726 1014433942 /nfs/dbraw/zinc/43/39/42/1014433942.db2.gz OLSKGSOVPAEFHU-LBPRGKRZSA-N 1 3 312.414 -0.476 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001208070901 978315679 /nfs/dbraw/zinc/31/56/79/978315679.db2.gz TZYKBZVYYWQKBK-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001208070901 978315686 /nfs/dbraw/zinc/31/56/86/978315686.db2.gz TZYKBZVYYWQKBK-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001208414150 978364393 /nfs/dbraw/zinc/36/43/93/978364393.db2.gz IORSFYVASWITQF-MELADBBJSA-N 1 3 301.431 -0.086 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208638976 978396515 /nfs/dbraw/zinc/39/65/15/978396515.db2.gz NBLCCJLEAPZGLE-KRIMKBQASA-N 1 3 323.437 -0.187 20 0 DBADHO CN1CC[C@@]2(CC[N@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C2)C1 ZINC001209278155 978443063 /nfs/dbraw/zinc/44/30/63/978443063.db2.gz OAJJCRJCJDFCTL-HLPPOEQASA-N 1 3 314.426 -0.113 20 0 DBADHO CN1CC[C@@]2(CC[N@@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C2)C1 ZINC001209278155 978443069 /nfs/dbraw/zinc/44/30/69/978443069.db2.gz OAJJCRJCJDFCTL-HLPPOEQASA-N 1 3 314.426 -0.113 20 0 DBADHO CN1CC[C@]2(CC[N@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C2)C1 ZINC001209278154 978444469 /nfs/dbraw/zinc/44/44/69/978444469.db2.gz OAJJCRJCJDFCTL-CTASWTNQSA-N 1 3 314.426 -0.113 20 0 DBADHO CN1CC[C@]2(CC[N@@H+](C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C2)C1 ZINC001209278154 978444473 /nfs/dbraw/zinc/44/44/73/978444473.db2.gz OAJJCRJCJDFCTL-CTASWTNQSA-N 1 3 314.426 -0.113 20 0 DBADHO C[NH+](C)CCC(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 ZINC001209445554 978455028 /nfs/dbraw/zinc/45/50/28/978455028.db2.gz NHLODCZOBWOQJO-LBPRGKRZSA-N 1 3 305.444 -0.437 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001209668811 978471674 /nfs/dbraw/zinc/47/16/74/978471674.db2.gz IORSFYVASWITQF-MJBXVCDLSA-N 1 3 301.431 -0.086 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210811095 978534795 /nfs/dbraw/zinc/53/47/95/978534795.db2.gz IWFWAAKFSNJMCE-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001211268614 978562022 /nfs/dbraw/zinc/56/20/22/978562022.db2.gz KFEZIBRPEDJBFJ-NSHDSACASA-N 1 3 313.402 -0.898 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001211279142 978563839 /nfs/dbraw/zinc/56/38/39/978563839.db2.gz WATMEBAZOLYJGI-QWHCGFSZSA-N 1 3 324.425 -0.288 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214643382 978746705 /nfs/dbraw/zinc/74/67/05/978746705.db2.gz OOSNSXJXMZVAKQ-KWCYVHTRSA-N 1 3 308.426 -0.489 20 0 DBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855239 978753852 /nfs/dbraw/zinc/75/38/52/978753852.db2.gz ATLZUQCEPIEPDL-UXIGCNINSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1NCC(N)=O ZINC001215015038 978758383 /nfs/dbraw/zinc/75/83/83/978758383.db2.gz CRLQFGCOKDIMCQ-TZMCWYRMSA-N 1 3 319.409 -0.170 20 0 DBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001215413722 978767444 /nfs/dbraw/zinc/76/74/44/978767444.db2.gz JQVOOUMLPJDCQV-HZSPNIEDSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)N(C)C ZINC001215416577 978769022 /nfs/dbraw/zinc/76/90/22/978769022.db2.gz UYZACMUUYQFJHB-CHWSQXEVSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN1CC[C@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1=O ZINC001215462902 978770640 /nfs/dbraw/zinc/77/06/40/978770640.db2.gz AGFRPRTXTPHXLQ-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001215998936 978779775 /nfs/dbraw/zinc/77/97/75/978779775.db2.gz IVQJFEQFAZDDEG-FRRDWIJNSA-N 1 3 324.425 -0.430 20 0 DBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCc1cncn1C ZINC001216400886 978785516 /nfs/dbraw/zinc/78/55/16/978785516.db2.gz CREYKLRXWKUOTI-UKRRQHHQSA-N 1 3 323.441 -0.065 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001216511196 978787696 /nfs/dbraw/zinc/78/76/96/978787696.db2.gz MIVMQFVAIQFSOT-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+]C[C@H]1C ZINC001217964568 978818762 /nfs/dbraw/zinc/81/87/62/978818762.db2.gz CINZIIVEYQZIDW-BDAKNGLRSA-N 1 3 324.381 -0.253 20 0 DBADHO C[NH2+][C@H]1C[C@@H](Oc2c(C(=O)OC)nc(C(C)(C)N)n(C)c2=O)C1 ZINC001217956411 978819439 /nfs/dbraw/zinc/81/94/39/978819439.db2.gz YUXUUVJUUTWKTJ-DTORHVGOSA-N 1 3 324.381 -0.110 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CC[NH2+][C@H]3CCO[C@@H]32)cc1 ZINC001218163139 978821249 /nfs/dbraw/zinc/82/12/49/978821249.db2.gz MALGLNCIMAPNDH-XQLPTFJDSA-N 1 3 305.378 -0.060 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+][C@H]1C ZINC001218387808 978823971 /nfs/dbraw/zinc/82/39/71/978823971.db2.gz ZLMJVAQXBJGXGY-JGVFFNPUSA-N 1 3 310.354 -0.500 20 0 DBADHO [NH3+][C@@H]1CCc2nc(NC(=O)[C@H]3COC4(CNC4)CN3)sc2C1 ZINC001218531752 978827908 /nfs/dbraw/zinc/82/79/08/978827908.db2.gz AVQJFUSCNWGYAL-PSASIEDQSA-N 1 3 323.422 -0.772 20 0 DBADHO COCCCN(C(=O)[C@@H]1C[NH2+]CC12CNC2)c1ncccc1N ZINC001218560635 978831333 /nfs/dbraw/zinc/83/13/33/978831333.db2.gz JZJCNGDOGVOUFT-LBPRGKRZSA-N 1 3 319.409 -0.158 20 0 DBADHO CN1CCN(c2ncccc2NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001218555553 978831512 /nfs/dbraw/zinc/83/15/12/978831512.db2.gz IOESQAHYLMQZPM-GFCCVEGCSA-N 1 3 306.414 -0.162 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)Nc1nccnc1N1CCOCC1 ZINC001218571129 978832643 /nfs/dbraw/zinc/83/26/43/978832643.db2.gz QVUYIBJHNJFGKL-NSHDSACASA-N 1 3 308.386 -0.292 20 0 DBADHO O=C(Nc1cccnc1OC1COC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218619050 978837077 /nfs/dbraw/zinc/83/70/77/978837077.db2.gz VISFLACHQHLZAW-BDJLRTHQSA-N 1 3 318.377 -0.003 20 0 DBADHO COC(=O)c1onc(C)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218635838 978837972 /nfs/dbraw/zinc/83/79/72/978837972.db2.gz IWRNKKFULWTXGP-YMTOWFKASA-N 1 3 308.338 -0.093 20 0 DBADHO CCOC(=O)c1cc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)n(C)n1 ZINC001218637036 978839431 /nfs/dbraw/zinc/83/94/31/978839431.db2.gz OIMVAFZKLFLHOL-LBPRGKRZSA-N 1 3 309.370 -0.138 20 0 DBADHO COC(=O)c1cc2cc(NC(=O)[C@@H]3C[C@H](N)C[NH2+]3)c[nH]c-2n1 ZINC001218670419 978842166 /nfs/dbraw/zinc/84/21/66/978842166.db2.gz HVSYCNXREMTNID-WPRPVWTQSA-N 1 3 303.322 -0.023 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218668363 978842492 /nfs/dbraw/zinc/84/24/92/978842492.db2.gz CCZUPVLEFADUGJ-CYBMUJFWSA-N 1 3 310.402 -0.780 20 0 DBADHO COC(=O)c1cc2cc(NC(=O)[C@@H]3C[C@@H](N)C[NH2+]3)c[nH]c-2n1 ZINC001218670418 978842997 /nfs/dbraw/zinc/84/29/97/978842997.db2.gz HVSYCNXREMTNID-SCZZXKLOSA-N 1 3 303.322 -0.023 20 0 DBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001218711025 978846775 /nfs/dbraw/zinc/84/67/75/978846775.db2.gz KONVCHHOMTWSGF-MWLCHTKSSA-N 1 3 307.354 -0.632 20 0 DBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001218713568 978846795 /nfs/dbraw/zinc/84/67/95/978846795.db2.gz SPWNVQVERUVBAU-PRHODGIISA-N 1 3 305.338 -0.484 20 0 DBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218711024 978847245 /nfs/dbraw/zinc/84/72/45/978847245.db2.gz KONVCHHOMTWSGF-KOLCDFICSA-N 1 3 307.354 -0.632 20 0 DBADHO CCOC(=O)c1nc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cn1C ZINC001218706587 978847304 /nfs/dbraw/zinc/84/73/04/978847304.db2.gz IXDVMZMPKJCJKS-LLVKDONJSA-N 1 3 309.370 -0.138 20 0 DBADHO CCOC(=O)c1ncc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001218757818 978851232 /nfs/dbraw/zinc/85/12/32/978851232.db2.gz XDDCWHHMJLZIFS-SNVBAGLBSA-N 1 3 305.338 -0.599 20 0 DBADHO [NH3+][C@@H]1CN[C@H](C(=O)Nc2ccccc2C(=O)N2CCNCC2)C1 ZINC001218881834 978857463 /nfs/dbraw/zinc/85/74/63/978857463.db2.gz HREIZUGEWUQYMJ-FZMZJTMJSA-N 1 3 317.393 -0.640 20 0 DBADHO COC(=O)c1ccc(N)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001219146621 978882784 /nfs/dbraw/zinc/88/27/84/978882784.db2.gz FVMHUVZTOMJNNI-SNVBAGLBSA-N 1 3 304.350 -0.197 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@@H]1O2 ZINC001219538420 978961124 /nfs/dbraw/zinc/96/11/24/978961124.db2.gz YVGSXSFTQHPXNV-XHSYRHOGSA-N 1 3 318.377 -0.075 20 0 DBADHO CC[NH+](CC)CCNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001219555754 978965725 /nfs/dbraw/zinc/96/57/25/978965725.db2.gz QQFRMCUCJQNLRG-RYUDHWBXSA-N 1 3 314.430 -0.245 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC(F)F ZINC001219561455 978967183 /nfs/dbraw/zinc/96/71/83/978967183.db2.gz KAWICGOFBYLHHV-UWVGGRQHSA-N 1 3 306.357 -0.185 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001219635368 978985083 /nfs/dbraw/zinc/98/50/83/978985083.db2.gz DASUUEWUXACTLZ-BJDJZHNGSA-N 1 3 302.394 -0.319 20 0 DBADHO CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001219676525 978992072 /nfs/dbraw/zinc/99/20/72/978992072.db2.gz NRUMQRKECGHOPW-QMMMGPOBSA-N 1 3 315.399 -0.778 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@H]2C[NH2+][C@H](C)C2)COC1(C)C ZINC001219683828 978994179 /nfs/dbraw/zinc/99/41/79/978994179.db2.gz FPZZSLGHZUWATM-KXNHARMFSA-N 1 3 312.414 -0.589 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703295 978997763 /nfs/dbraw/zinc/99/77/63/978997763.db2.gz DOCJJYSPAJLTPI-CQSZACIVSA-N 1 3 319.409 -0.276 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)cn1 ZINC001219737227 979002285 /nfs/dbraw/zinc/00/22/85/979002285.db2.gz QVNLAOCDJLXRPU-OLZOCXBDSA-N 1 3 320.393 -0.025 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741891 979004188 /nfs/dbraw/zinc/00/41/88/979004188.db2.gz XFWRDHVBTPJRHE-NWDGAFQWSA-N 1 3 313.398 -0.316 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741825 979005186 /nfs/dbraw/zinc/00/51/86/979005186.db2.gz VNRUCFOPLRVGDW-CHWSQXEVSA-N 1 3 307.398 -0.303 20 0 DBADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741825 979005193 /nfs/dbraw/zinc/00/51/93/979005193.db2.gz VNRUCFOPLRVGDW-CHWSQXEVSA-N 1 3 307.398 -0.303 20 0 DBADHO N[C@H]1CCCCN(CC(=O)NC[C@]2(F)CCC[NH2+]C2)C1=O ZINC001219768062 979010216 /nfs/dbraw/zinc/01/02/16/979010216.db2.gz JKJSMVJOVZYISD-FZMZJTMJSA-N 1 3 300.378 -0.466 20 0 DBADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1cc2n(n1)CCNC2 ZINC001219769179 979011864 /nfs/dbraw/zinc/01/18/64/979011864.db2.gz UCDNASBAEPZADJ-NEPJUHHUSA-N 1 3 304.398 -0.990 20 0 DBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1cc2n(n1)CCNC2 ZINC001219769179 979011871 /nfs/dbraw/zinc/01/18/71/979011871.db2.gz UCDNASBAEPZADJ-NEPJUHHUSA-N 1 3 304.398 -0.990 20 0 DBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1cc2n(n1)CCNC2 ZINC001219769179 979011878 /nfs/dbraw/zinc/01/18/78/979011878.db2.gz UCDNASBAEPZADJ-NEPJUHHUSA-N 1 3 304.398 -0.990 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788940 979015698 /nfs/dbraw/zinc/01/56/98/979015698.db2.gz SRPUVJOMKKPSBK-OCCSQVGLSA-N 1 3 322.409 -0.006 20 0 DBADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CNCc2ccnn2C1 ZINC001219831749 979026910 /nfs/dbraw/zinc/02/69/10/979026910.db2.gz WZGMATPYJGOSCW-WVWOOGAGSA-N 1 3 305.382 -0.904 20 0 DBADHO NCc1ccc(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)cn1 ZINC001219844544 979029556 /nfs/dbraw/zinc/02/95/56/979029556.db2.gz NSIFCWMGHNMCFW-MLGOLLRUSA-N 1 3 320.393 -0.335 20 0 DBADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CNCc2ccnn2C1 ZINC001219849533 979030352 /nfs/dbraw/zinc/03/03/52/979030352.db2.gz CLZWDEMNIVOJFC-NZBPQXDJSA-N 1 3 319.409 -0.657 20 0 DBADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219850482 979031953 /nfs/dbraw/zinc/03/19/53/979031953.db2.gz VOMLQQKERUCNPB-XDQVBPFNSA-N 1 3 312.414 -0.744 20 0 DBADHO O=C(N[C@@H]1CCc2[nH]c(=O)ccc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219890856 979039121 /nfs/dbraw/zinc/03/91/21/979039121.db2.gz LNMVGBDIMUOOHA-PBFPGSCMSA-N 1 3 316.405 -0.040 20 0 DBADHO N[C@@H](C(=O)NC[C@H](O)COc1ccccc1)C1CC[NH2+]CC1 ZINC001219918786 979042647 /nfs/dbraw/zinc/04/26/47/979042647.db2.gz QXPAPGQDHZZWEG-DZGCQCFKSA-N 1 3 307.394 -0.131 20 0 DBADHO N[C@H](C(=O)NCCNC(=O)c1ccncc1)C1CC[NH2+]CC1 ZINC001219938911 979046492 /nfs/dbraw/zinc/04/64/92/979046492.db2.gz IXJUZQMUOPMXAR-ZDUSSCGKSA-N 1 3 305.382 -0.746 20 0 DBADHO CN1CCN(c2cccc(CNC(=O)[C@H]3C[NH2+]CCN3)c2)CC1 ZINC001219961413 979050815 /nfs/dbraw/zinc/05/08/15/979050815.db2.gz JUSQERDYUIPDIR-MRXNPFEDSA-N 1 3 317.437 -0.384 20 0 DBADHO COC(=O)C1(NC(=O)c2ccc3c(n2)CCNC3)CC[NH2+]CC1 ZINC001220003014 979058275 /nfs/dbraw/zinc/05/82/75/979058275.db2.gz GCSAQWJQIBMEIK-UHFFFAOYSA-N 1 3 318.377 -0.248 20 0 DBADHO COC(=O)C1(NC(=O)c2[nH]nc3c2CCNC3)CC[NH2+]CC1 ZINC001220003562 979059440 /nfs/dbraw/zinc/05/94/40/979059440.db2.gz RDNZXVFFKBZVIS-UHFFFAOYSA-N 1 3 307.354 -0.920 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)n1c(C)ncc(C[NH3+])c1=N ZINC001220043587 979074655 /nfs/dbraw/zinc/07/46/55/979074655.db2.gz YDBPMAWBOOCXCG-UFBFGSQYSA-N 1 3 308.386 -0.741 20 0 DBADHO CC(C)(C)OC(=O)C1(NC(=O)[C@@H](N)CN)CCC([NH3+])CC1 ZINC001220039608 979075508 /nfs/dbraw/zinc/07/55/08/979075508.db2.gz LNANUIDZZKKYKU-XIRUVYRFSA-N 1 3 300.403 -0.630 20 0 DBADHO COc1ncnc(OC)c1CNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220045387 979076995 /nfs/dbraw/zinc/07/69/95/979076995.db2.gz XYWZCSNZAPQTKL-LLVKDONJSA-N 1 3 309.370 -0.563 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127500 979104449 /nfs/dbraw/zinc/10/44/49/979104449.db2.gz XKACNXYUMQUQPF-GFCCVEGCSA-N 1 3 310.398 -0.346 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)NCCCCCCN1C(=O)C=CC1=O ZINC001220127501 979105616 /nfs/dbraw/zinc/10/56/16/979105616.db2.gz XKACNXYUMQUQPF-LBPRGKRZSA-N 1 3 310.398 -0.346 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143685 979112239 /nfs/dbraw/zinc/11/22/39/979112239.db2.gz RGDKTZLJGIUMCI-LBPRGKRZSA-N 1 3 317.455 -0.261 20 0 DBADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)NC1(C[NH3+])COC1 ZINC001220154392 979115025 /nfs/dbraw/zinc/11/50/25/979115025.db2.gz SHADSAWOLUAGGS-CYBMUJFWSA-N 1 3 321.377 -0.319 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cn[nH]c1 ZINC001220148297 979115174 /nfs/dbraw/zinc/11/51/74/979115174.db2.gz UZZOBUCWYPKFBU-STQMWFEESA-N 1 3 322.413 -0.527 20 0 DBADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220164124 979119239 /nfs/dbraw/zinc/11/92/39/979119239.db2.gz YYILHLHPHJJOCG-IPYPFGDCSA-N 1 3 308.426 -0.645 20 0 DBADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@H]1COC2(CNC2)CN1 ZINC001220164126 979122456 /nfs/dbraw/zinc/12/24/56/979122456.db2.gz YYILHLHPHJJOCG-UMVBOHGHSA-N 1 3 308.426 -0.645 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O ZINC001220237885 979142424 /nfs/dbraw/zinc/14/24/24/979142424.db2.gz GXOVPLIYPGFMMN-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O ZINC001220237884 979143025 /nfs/dbraw/zinc/14/30/25/979143025.db2.gz GXOVPLIYPGFMMN-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@@H]1O ZINC001220276577 979151526 /nfs/dbraw/zinc/15/15/26/979151526.db2.gz FTRPLNGITUWEJB-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO COCCCCCN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276575 979152388 /nfs/dbraw/zinc/15/23/88/979152388.db2.gz FSLCLXCUHNWWST-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO O=C(NCc1ncn2c1CNCCC2)[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001220311524 979160813 /nfs/dbraw/zinc/16/08/13/979160813.db2.gz OFTQHKMEZSNZON-MISXGVKJSA-N 1 3 305.382 -0.631 20 0 DBADHO CN(CC(=O)NCc1ncn2c1CNCCC2)[C@H]1CCC[NH2+]C1 ZINC001220310941 979161157 /nfs/dbraw/zinc/16/11/57/979161157.db2.gz IJXRJONEIYVVJK-ZDUSSCGKSA-N 1 3 320.441 -0.324 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220317550 979164155 /nfs/dbraw/zinc/16/41/55/979164155.db2.gz ZWNVMMKSBGFEDP-WHOFXGATSA-N 1 3 307.398 -0.683 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CNC(=O)CO1 ZINC001220315139 979164764 /nfs/dbraw/zinc/16/47/64/979164764.db2.gz AEHQRRXRMSHQJS-NEPJUHHUSA-N 1 3 300.403 -0.887 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220318794 979166765 /nfs/dbraw/zinc/16/67/65/979166765.db2.gz BHRPOKWCECWQOB-QCQGSNGOSA-N 1 3 324.425 -0.648 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220318798 979167659 /nfs/dbraw/zinc/16/76/59/979167659.db2.gz BHRPOKWCECWQOB-ZWUHOBOKSA-N 1 3 324.425 -0.648 20 0 DBADHO O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)c1[nH]nc2c1CNCC2 ZINC001220323667 979169672 /nfs/dbraw/zinc/16/96/72/979169672.db2.gz JYYRBNAOXGEALW-BONVTDFDSA-N 1 3 305.382 -0.304 20 0 DBADHO COc1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)nn1 ZINC001220343361 979175530 /nfs/dbraw/zinc/17/55/30/979175530.db2.gz KXGZSQWLJHHLPG-LBPRGKRZSA-N 1 3 305.382 -0.024 20 0 DBADHO COc1ccc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)nn1 ZINC001220343361 979175537 /nfs/dbraw/zinc/17/55/37/979175537.db2.gz KXGZSQWLJHHLPG-LBPRGKRZSA-N 1 3 305.382 -0.024 20 0 DBADHO [NH3+]C1(CNC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CCCC1 ZINC001220494976 979213838 /nfs/dbraw/zinc/21/38/38/979213838.db2.gz SJEHYSPFAYHUAR-JTQLQIEISA-N 1 3 301.412 -0.849 20 0 DBADHO [NH3+]C1(CNC(=O)[C@H]2CCS(=O)(=O)C23CNC3)CCCC1 ZINC001220494978 979214150 /nfs/dbraw/zinc/21/41/50/979214150.db2.gz SJEHYSPFAYHUAR-SNVBAGLBSA-N 1 3 301.412 -0.849 20 0 DBADHO CCOC(=O)C1=C(NC(=O)C[C@@]2(O)CCC[NH2+]C2)CCNC1 ZINC001220521825 979222218 /nfs/dbraw/zinc/22/22/18/979222218.db2.gz QBUUCCSVTWHVDT-HNNXBMFYSA-N 1 3 311.382 -0.582 20 0 DBADHO [NH3+]CCOCCOCCNC(=O)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001220519080 979222380 /nfs/dbraw/zinc/22/23/80/979222380.db2.gz AHJMWOPVBPSIMW-HIFRSBDPSA-N 1 3 315.414 -0.747 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H]3CC[NH2+]C[C@H]3O2)CCNC1 ZINC001220521784 979224938 /nfs/dbraw/zinc/22/49/38/979224938.db2.gz OOBOLMZPQFWJCK-LEWSCRJBSA-N 1 3 323.393 -0.320 20 0 DBADHO O=C(NCc1ccc(-n2cccn2)nc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220673744 979264038 /nfs/dbraw/zinc/26/40/38/979264038.db2.gz KPCPCQAGNVEQON-CYBMUJFWSA-N 1 3 312.377 -0.308 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788821 979284229 /nfs/dbraw/zinc/28/42/29/979284229.db2.gz GSNUEUYZSNMZFH-PBPBQWCVSA-N 1 3 324.450 -0.056 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799489 979287100 /nfs/dbraw/zinc/28/71/00/979287100.db2.gz BPDQAPKGNUTWNX-BBBLOLIVSA-N 1 3 305.304 -0.064 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@H]2CNCc3ccnn3C2)C[NH2+]C1 ZINC001220825582 979298214 /nfs/dbraw/zinc/29/82/14/979298214.db2.gz NHZJOQDARJSZAH-JTQLQIEISA-N 1 3 319.365 -0.861 20 0 DBADHO COC(=O)c1cncc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001220843269 979301991 /nfs/dbraw/zinc/30/19/91/979301991.db2.gz PPGFBXDHBCQWGF-ZDUSSCGKSA-N 1 3 306.366 -0.189 20 0 DBADHO O=C(NCCc1c[nH]c2ccncc12)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220866426 979310338 /nfs/dbraw/zinc/31/03/38/979310338.db2.gz YVVNWODBMMNCSW-CQSZACIVSA-N 1 3 315.377 -0.448 20 0 DBADHO CC(C)(C)C(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H]([NH3+])CN2)CC1 ZINC001220908856 979316856 /nfs/dbraw/zinc/31/68/56/979316856.db2.gz AETARUIJBBDKQS-YPMHNXCESA-N 1 3 310.442 -0.129 20 0 DBADHO CC(C)(C)C(=O)CN1CCC(NC(=O)[C@@H]2C[C@@H](N)C[NH2+]2)CC1 ZINC001220908856 979316868 /nfs/dbraw/zinc/31/68/68/979316868.db2.gz AETARUIJBBDKQS-YPMHNXCESA-N 1 3 310.442 -0.129 20 0 DBADHO COC(=O)C[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccccn1 ZINC001220900526 979318621 /nfs/dbraw/zinc/31/86/21/979318621.db2.gz MAFXWZLGHUGGMN-WCQYABFASA-N 1 3 318.377 -0.389 20 0 DBADHO O=C(CNC(=O)[C@@H]1C[NH2+]CC12CNC2)NCc1ccc(F)cc1 ZINC001220939171 979333086 /nfs/dbraw/zinc/33/30/86/979333086.db2.gz IXPAGNUNBWJHGC-ZDUSSCGKSA-N 1 3 320.368 -0.633 20 0 DBADHO CC(=O)NCCCC[C@H](N)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937777 979334370 /nfs/dbraw/zinc/33/43/70/979334370.db2.gz ZWNRMRPUPVCFSR-STQMWFEESA-N 1 3 300.403 -0.885 20 0 DBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220960093 979337175 /nfs/dbraw/zinc/33/71/75/979337175.db2.gz HQVUNNRDCVHGJM-VWYCJHECSA-N 1 3 319.427 -0.910 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)NCc1cccc(N2CCOCC2=O)c1 ZINC001220990645 979340762 /nfs/dbraw/zinc/34/07/62/979340762.db2.gz SUKDLORISHTVQD-AWEZNQCLSA-N 1 3 320.393 -0.268 20 0 DBADHO COc1cc(C)[nH]c(=O)c1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001221015611 979349294 /nfs/dbraw/zinc/34/92/94/979349294.db2.gz MHZSKOVCRCGUIP-JTQLQIEISA-N 1 3 314.411 -0.260 20 0 DBADHO COCCC1(NC(=O)[C@H](N)CCC[NH3+])CCS(=O)(=O)CC1 ZINC001221025880 979350230 /nfs/dbraw/zinc/35/02/30/979350230.db2.gz KZDNQYKMZAWTEU-LLVKDONJSA-N 1 3 321.443 -0.847 20 0 DBADHO O=C(N[C@H]1CC[C@H](N2CCOCC2)CC1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221056650 979354533 /nfs/dbraw/zinc/35/45/33/979354533.db2.gz XBPIQUHLURQWHO-JKQORVJESA-N 1 3 322.453 -0.303 20 0 DBADHO O=C(NCc1ccn(CC(F)(F)F)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001221107704 979365831 /nfs/dbraw/zinc/36/58/31/979365831.db2.gz HPPSMNBFDNJTMQ-SNVBAGLBSA-N 1 3 317.315 -0.129 20 0 DBADHO CN[C@H](C(=O)NCC1(c2ccccn2)CC[NH2+]CC1)[C@@H](C)O ZINC001221113999 979366770 /nfs/dbraw/zinc/36/67/70/979366770.db2.gz JBKMWDRAXCVCDV-OCCSQVGLSA-N 1 3 306.410 -0.212 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124062 979370167 /nfs/dbraw/zinc/37/01/67/979370167.db2.gz URSNUPNVKKQLCH-WHEQGISXSA-N 1 3 324.450 -0.128 20 0 DBADHO CN1CCNC[C@H]1C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116280 979370581 /nfs/dbraw/zinc/37/05/81/979370581.db2.gz TZQBQETZMSDXMT-AWEZNQCLSA-N 1 3 317.437 -0.277 20 0 DBADHO COC(=O)[C@H](CCC[NH3+])NC(=O)c1ccc2c(n1)CCNC2 ZINC001221190481 979380185 /nfs/dbraw/zinc/38/01/85/979380185.db2.gz PEPOAUPMXIMIPC-ZDUSSCGKSA-N 1 3 306.366 -0.262 20 0 DBADHO COC(=O)[C@](C)(NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(F)(F)F ZINC001221218964 979385446 /nfs/dbraw/zinc/38/54/46/979385446.db2.gz JXHXSPDLDFXRLR-XVKPBYJWSA-N 1 3 309.288 -0.594 20 0 DBADHO COC(=O)[C@@](C)(NC(=O)[C@@H](N)CSCC[NH3+])C(F)(F)F ZINC001221221756 979387498 /nfs/dbraw/zinc/38/74/98/979387498.db2.gz WVYYPRACIZMLJQ-IMTBSYHQSA-N 1 3 317.333 -0.384 20 0 DBADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@@H]1COC2(CNC2)CN1 ZINC001221248355 979390907 /nfs/dbraw/zinc/39/09/07/979390907.db2.gz SYWLAWOWPHPTAZ-DZGCQCFKSA-N 1 3 308.426 -0.645 20 0 DBADHO O=C(NCc1ccc(-n2ccnn2)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001221336481 979404685 /nfs/dbraw/zinc/40/46/85/979404685.db2.gz FZXZHMHWZSYMLV-CQSZACIVSA-N 1 3 312.377 -0.308 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333177 979404799 /nfs/dbraw/zinc/40/47/99/979404799.db2.gz PHPDHRZCCLFTOL-DGCWBMGLSA-N 1 3 309.435 -0.006 20 0 DBADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221357084 979408622 /nfs/dbraw/zinc/40/86/22/979408622.db2.gz LVYDCQSPPVGHBR-ZIAGYGMSSA-N 1 3 324.469 -0.342 20 0 DBADHO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221339350 979409250 /nfs/dbraw/zinc/40/92/50/979409250.db2.gz HLNRFHYRAULMCD-CHWSQXEVSA-N 1 3 318.377 -0.909 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)NC1 ZINC001221391409 979411305 /nfs/dbraw/zinc/41/13/05/979411305.db2.gz MMKXYGHSJNOHDG-GUYCJALGSA-N 1 3 318.421 -0.209 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]C[C@@H](O)C3)CC2)NC1 ZINC001221392658 979412315 /nfs/dbraw/zinc/41/23/15/979412315.db2.gz YTFMPOMNPGMCRD-JSGCOSHPSA-N 1 3 306.410 -0.475 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)C3(O)CC[NH2+]CC3)CC2)NC1 ZINC001221390532 979412549 /nfs/dbraw/zinc/41/25/49/979412549.db2.gz DDCTUUGLYRLHGC-UHFFFAOYSA-N 1 3 306.410 -0.331 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001221397139 979413519 /nfs/dbraw/zinc/41/35/19/979413519.db2.gz GGRPMKHNJRPARL-DZGCQCFKSA-N 1 3 314.389 -0.705 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398518 979414035 /nfs/dbraw/zinc/41/40/35/979414035.db2.gz COHKWDNHFIALAQ-DGCWBMGLSA-N 1 3 309.435 -0.087 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@]3(N)CCC[NH2+]C3)CC2)NC1 ZINC001221393034 979414619 /nfs/dbraw/zinc/41/46/19/979414619.db2.gz UDAZBXJPAHXBGB-INIZCTEOSA-N 1 3 305.426 -0.364 20 0 DBADHO C[NH+]1CCC(CO)(NC(=O)[C@H](N)Cc2cccc(O)c2)CC1 ZINC001221403368 979414875 /nfs/dbraw/zinc/41/48/75/979414875.db2.gz SIOXSFPRUOLOIZ-CQSZACIVSA-N 1 3 307.394 -0.165 20 0 DBADHO [NH3+]CCOCCOCC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221397491 979414940 /nfs/dbraw/zinc/41/49/40/979414940.db2.gz JVJQSKZDSJDBSI-HNNXBMFYSA-N 1 3 307.394 -0.191 20 0 DBADHO CN1CCC(CO)(NC(=O)[C@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001221402934 979415200 /nfs/dbraw/zinc/41/52/00/979415200.db2.gz NWYGCZFEXPKRDW-GJZGRUSLSA-N 1 3 324.469 -0.367 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001221397073 979415981 /nfs/dbraw/zinc/41/59/81/979415981.db2.gz DWIVRBAHWYQEKU-ZOBUZTSGSA-N 1 3 300.406 -0.231 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221415196 979418176 /nfs/dbraw/zinc/41/81/76/979418176.db2.gz ZXSDRAZOTBXIMS-LKTVYLICSA-N 1 3 310.442 -0.020 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221407936 979419567 /nfs/dbraw/zinc/41/95/67/979419567.db2.gz FIKHJSJYLKIKQS-DZGCQCFKSA-N 1 3 310.442 -0.020 20 0 DBADHO CCOC(=O)[C@@H]1CC2(CN1C[C@H]1COCCN1)CC[NH2+]CC2 ZINC001222216163 979500784 /nfs/dbraw/zinc/50/07/84/979500784.db2.gz YJQKWTTVXQQXNQ-KBPBESRZSA-N 1 3 311.426 -0.018 20 0 DBADHO CCOC(=O)[C@H]1CC2(CN1C[C@H]1CNCCO1)CC[NH2+]CC2 ZINC001222215873 979501012 /nfs/dbraw/zinc/50/10/12/979501012.db2.gz MMHQBXQDYOYMFU-ZIAGYGMSSA-N 1 3 311.426 -0.018 20 0 DBADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001330545002 979824261 /nfs/dbraw/zinc/82/42/61/979824261.db2.gz YPBHMKRODRVAAD-TZMCWYRMSA-N 1 3 324.425 -0.694 20 0 DBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC001331169096 979863232 /nfs/dbraw/zinc/86/32/32/979863232.db2.gz NIYOOJVIQGCPOV-XUXIUFHCSA-N 1 3 308.426 -0.027 20 0 DBADHO CN1CCN(CCCNC(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001343444549 979948808 /nfs/dbraw/zinc/94/88/08/979948808.db2.gz JVVVCHCLWIVFOW-CQSZACIVSA-N 1 3 310.442 -0.491 20 0 DBADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC001344771791 980008453 /nfs/dbraw/zinc/00/84/53/980008453.db2.gz AAGAAQHZKVRNJG-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO COCCNCC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001345763241 980081230 /nfs/dbraw/zinc/08/12/30/980081230.db2.gz NKUUNWJCAJRPAW-UHFFFAOYSA-N 1 3 312.458 -0.103 20 0 DBADHO C[NH+](C)CCOCCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1 ZINC001347060852 980193833 /nfs/dbraw/zinc/19/38/33/980193833.db2.gz JFSNUHYHFQCIKG-UHFFFAOYSA-N 1 3 312.374 -0.982 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001347087149 980196254 /nfs/dbraw/zinc/19/62/54/980196254.db2.gz ULZCLHMDTMRUAT-KBPBESRZSA-N 1 3 324.425 -0.824 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC001350334101 980562255 /nfs/dbraw/zinc/56/22/55/980562255.db2.gz RVQDISKCHQHAHN-KGLIPLIRSA-N 1 3 324.425 -0.791 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001353526913 980807911 /nfs/dbraw/zinc/80/79/11/980807911.db2.gz QASNNDWBFZAPOX-QPSCCSFWSA-N 1 3 322.453 -0.099 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C[C@@H]21 ZINC001354247356 980840395 /nfs/dbraw/zinc/84/03/95/980840395.db2.gz MFFPENKWOASFRV-DGAVXFQQSA-N 1 3 306.410 -0.783 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(CCO)CCO)C2)CC[N@@H+]1C ZINC001489161712 1014693170 /nfs/dbraw/zinc/69/31/70/1014693170.db2.gz YQALDCSVLNGGAH-RBSFLKMASA-N 1 3 313.442 -0.396 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H](N(CCO)CCO)C2)CC[N@H+]1C ZINC001489161712 1014693179 /nfs/dbraw/zinc/69/31/79/1014693179.db2.gz YQALDCSVLNGGAH-RBSFLKMASA-N 1 3 313.442 -0.396 20 0 DBADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)C[C@@]1(O)CCOC1 ZINC001356103820 980924932 /nfs/dbraw/zinc/92/49/32/980924932.db2.gz WCICASHEZFAFBX-GJZGRUSLSA-N 1 3 302.415 -0.675 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001356571106 980955196 /nfs/dbraw/zinc/95/51/96/980955196.db2.gz XFIVPEJTHWUUBX-CQSZACIVSA-N 1 3 301.431 -0.884 20 0 DBADHO O=C(C1CCC(N2CCOCC2)CC1)N1CCNCC[NH2+]CC1 ZINC001358222877 981120195 /nfs/dbraw/zinc/12/01/95/981120195.db2.gz ALYXNQYVOSUNPO-UHFFFAOYSA-N 1 3 324.469 -0.101 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)COCC[NH+](C)C)C1)N(C)C ZINC001530513318 1014721280 /nfs/dbraw/zinc/72/12/80/1014721280.db2.gz BFCUXIUQRWZEPV-CYBMUJFWSA-N 1 3 314.430 -0.768 20 0 DBADHO CN1C[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C(C)(C)C1 ZINC001363618762 982538899 /nfs/dbraw/zinc/53/88/99/982538899.db2.gz PVWXFALRIMCSJI-OLZOCXBDSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001363923944 982723014 /nfs/dbraw/zinc/72/30/14/982723014.db2.gz FDHKWGYEPUENGQ-RWMBFGLXSA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001363923944 982723027 /nfs/dbraw/zinc/72/30/27/982723027.db2.gz FDHKWGYEPUENGQ-RWMBFGLXSA-N 1 3 314.430 -0.593 20 0 DBADHO C[NH+](C)CCC(=O)NCCCN(C1CC1)[C@H]1CCC(=O)NC1=O ZINC001490383743 1014951488 /nfs/dbraw/zinc/95/14/88/1014951488.db2.gz ULTTUEUWTHOPAY-ZDUSSCGKSA-N 1 3 324.425 -0.286 20 0 DBADHO CN(C)C1(C(=O)NC[C@H]2C[C@@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001365813906 983540984 /nfs/dbraw/zinc/54/09/84/983540984.db2.gz PBGFHBDETXEGFH-XQQFMLRXSA-N 1 3 308.426 -0.156 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001366103123 983697522 /nfs/dbraw/zinc/69/75/22/983697522.db2.gz CYQOGNXMEJHDHZ-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366164474 983726671 /nfs/dbraw/zinc/72/66/71/983726671.db2.gz WMSCITFWRDXEGE-RQJABVFESA-N 1 3 301.431 -0.183 20 0 DBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366276611 983770638 /nfs/dbraw/zinc/77/06/38/983770638.db2.gz UVCFLNAPEVBANL-TZMCWYRMSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366276607 983771145 /nfs/dbraw/zinc/77/11/45/983771145.db2.gz UVCFLNAPEVBANL-OCCSQVGLSA-N 1 3 310.442 -0.053 20 0 DBADHO CNC(=O)CN[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001366393508 983822642 /nfs/dbraw/zinc/82/26/42/983822642.db2.gz SGOHFCCBWBPZNO-LBPRGKRZSA-N 1 3 312.414 -0.966 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@H](O)COC ZINC001366612497 983878203 /nfs/dbraw/zinc/87/82/03/983878203.db2.gz CPAASLDNAAGXMN-HZSPNIEDSA-N 1 3 301.431 -0.228 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@H](O)COC ZINC001366612497 983878205 /nfs/dbraw/zinc/87/82/05/983878205.db2.gz CPAASLDNAAGXMN-HZSPNIEDSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C[C@@H](O)COC)C1)N(C)C ZINC001366705846 983934062 /nfs/dbraw/zinc/93/40/62/983934062.db2.gz WKTCWCFTRBEQSL-BFHYXJOUSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1)N(C)C ZINC001366705846 983934068 /nfs/dbraw/zinc/93/40/68/983934068.db2.gz WKTCWCFTRBEQSL-BFHYXJOUSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@@H]1CCCCN1C)C(=O)NC(N)=O ZINC001366831833 984008427 /nfs/dbraw/zinc/00/84/27/984008427.db2.gz ULUVWCUKSAKLOO-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CN(C)C(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001366851240 984020811 /nfs/dbraw/zinc/02/08/11/984020811.db2.gz GXHFNPKNPXIMCZ-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)CN2CCCC2)C1 ZINC001366851240 984020824 /nfs/dbraw/zinc/02/08/24/984020824.db2.gz GXHFNPKNPXIMCZ-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C[C@H](O)COC)C1 ZINC001366898032 984048335 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COC[C@@H](O)CN(C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001367545417 984342055 /nfs/dbraw/zinc/34/20/55/984342055.db2.gz JVGWWUKAXRHNNC-KGLIPLIRSA-N 1 3 301.431 -0.274 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NC)C1 ZINC001367554269 984347219 /nfs/dbraw/zinc/34/72/19/984347219.db2.gz JJJUKOSCARHJHG-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CCN2CC(=O)NC)C1 ZINC001367554269 984347225 /nfs/dbraw/zinc/34/72/25/984347225.db2.gz JJJUKOSCARHJHG-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1cncn1C ZINC001367580669 984377659 /nfs/dbraw/zinc/37/76/59/984377659.db2.gz KVUJNMORBCLEFH-GJZGRUSLSA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1cncn1C ZINC001367580669 984377670 /nfs/dbraw/zinc/37/76/70/984377670.db2.gz KVUJNMORBCLEFH-GJZGRUSLSA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1cncn1C ZINC001367580675 984379665 /nfs/dbraw/zinc/37/96/65/984379665.db2.gz KVUJNMORBCLEFH-HUUCEWRRSA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1cncn1C ZINC001367580675 984379679 /nfs/dbraw/zinc/37/96/79/984379679.db2.gz KVUJNMORBCLEFH-HUUCEWRRSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)CC[C@H]2CCC[N@@H+]2C)cn1 ZINC001367595867 984407529 /nfs/dbraw/zinc/40/75/29/984407529.db2.gz VUAMAIVDLOQOSH-CABCVRRESA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)CC[C@H]2CCC[N@H+]2C)cn1 ZINC001367595867 984407569 /nfs/dbraw/zinc/40/75/69/984407569.db2.gz VUAMAIVDLOQOSH-CABCVRRESA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367599826 984419022 /nfs/dbraw/zinc/41/90/22/984419022.db2.gz JMJWHFKIQPRNCJ-CYBMUJFWSA-N 1 3 309.414 -0.671 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001367618405 984474220 /nfs/dbraw/zinc/47/42/20/984474220.db2.gz NVJUXRLEBDFMLU-NEPJUHHUSA-N 1 3 316.446 -0.835 20 0 DBADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001368114755 984877230 /nfs/dbraw/zinc/87/72/30/984877230.db2.gz IVJWJWIYMVNVBO-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001368114755 984877232 /nfs/dbraw/zinc/87/72/32/984877232.db2.gz IVJWJWIYMVNVBO-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO NC(=O)CNC1(CNC(=O)C23CCC[NH+]2CCC3)CCOCC1 ZINC001368230291 984915673 /nfs/dbraw/zinc/91/56/73/984915673.db2.gz LEHMXAGJEDWIEP-UHFFFAOYSA-N 1 3 324.425 -0.645 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001490734744 1015098464 /nfs/dbraw/zinc/09/84/64/1015098464.db2.gz FALVUELQEBWJJV-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001490734744 1015098480 /nfs/dbraw/zinc/09/84/80/1015098480.db2.gz FALVUELQEBWJJV-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001368358465 985113942 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C[N@H+]1CC[C@H](CC(=O)NC2(CO)CCN(CCCO)CC2)C1 ZINC001368772418 985414789 /nfs/dbraw/zinc/41/47/89/985414789.db2.gz OZUCGOSLBBDRHY-CQSZACIVSA-N 1 3 313.442 -0.346 20 0 DBADHO COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001369078374 985703511 /nfs/dbraw/zinc/70/35/11/985703511.db2.gz BOIKQSVPAVQLGW-WFASDCNBSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001490903831 1015159419 /nfs/dbraw/zinc/15/94/19/1015159419.db2.gz NRWFCQLISZEQQJ-GMTAPVOTSA-N 1 3 313.402 -0.981 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001369180067 985801682 /nfs/dbraw/zinc/80/16/82/985801682.db2.gz JRBNTAFJJXOUGZ-AVGNSLFASA-N 1 3 310.398 -0.248 20 0 DBADHO CNC(=O)CN(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001369193465 985805202 /nfs/dbraw/zinc/80/52/02/985805202.db2.gz YPCIJOHZVUKMJY-UHFFFAOYSA-N 1 3 308.426 -0.249 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1nc(=O)n(C)[nH]1 ZINC001369291670 985846447 /nfs/dbraw/zinc/84/64/47/985846447.db2.gz PXAQXXRQPLZNNH-LLVKDONJSA-N 1 3 312.418 -0.613 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCc1nc(=O)n(C)[nH]1 ZINC001369291670 985846455 /nfs/dbraw/zinc/84/64/55/985846455.db2.gz PXAQXXRQPLZNNH-LLVKDONJSA-N 1 3 312.418 -0.613 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001369306069 985855771 /nfs/dbraw/zinc/85/57/71/985855771.db2.gz OVVQNEJYDYRIHB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001369306069 985855776 /nfs/dbraw/zinc/85/57/76/985855776.db2.gz OVVQNEJYDYRIHB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001369340250 985924821 /nfs/dbraw/zinc/92/48/21/985924821.db2.gz PLGZIFZNWSMOMW-HUUCEWRRSA-N 1 3 323.441 -0.177 20 0 DBADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001491025493 1015196262 /nfs/dbraw/zinc/19/62/62/1015196262.db2.gz IRLIMVYFVCXKEH-SCRDCRAPSA-N 1 3 308.426 -0.062 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001370564891 986803760 /nfs/dbraw/zinc/80/37/60/986803760.db2.gz NOILVNNZHPGNQM-HAQNSBGRSA-N 1 3 305.444 -0.392 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001370649818 986845223 /nfs/dbraw/zinc/84/52/23/986845223.db2.gz MUVBHLAHHUZSHY-UKKRHICBSA-N 1 3 313.402 -0.853 20 0 DBADHO COC[C@@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001370889233 987062503 /nfs/dbraw/zinc/06/25/03/987062503.db2.gz UVHDONRYAHHYOY-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)N[C@@H]1CCNC1=O ZINC001371379467 987331693 /nfs/dbraw/zinc/33/16/93/987331693.db2.gz QMVXHMADFGTXEW-WCQYABFASA-N 1 3 322.413 -0.959 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001371470136 987369510 /nfs/dbraw/zinc/36/95/10/987369510.db2.gz DJUASGYCFJMRJQ-QWHCGFSZSA-N 1 3 319.471 -0.144 20 0 DBADHO CN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C1CC1 ZINC001371520035 987393238 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CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C[C@@H](O)Cn1cccn1 ZINC001372181436 987670012 /nfs/dbraw/zinc/67/00/12/987670012.db2.gz FCJWJIDCXVELMG-HUUCEWRRSA-N 1 3 323.441 -0.366 20 0 DBADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001372181434 987670325 /nfs/dbraw/zinc/67/03/25/987670325.db2.gz FCJWJIDCXVELMG-CABCVRRESA-N 1 3 323.441 -0.366 20 0 DBADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001372181434 987670333 /nfs/dbraw/zinc/67/03/33/987670333.db2.gz FCJWJIDCXVELMG-CABCVRRESA-N 1 3 323.441 -0.366 20 0 DBADHO CNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001373001838 988029939 /nfs/dbraw/zinc/02/99/39/988029939.db2.gz ZUIYWFCDJODNPO-NSHDSACASA-N 1 3 307.398 -0.085 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001373381328 988292143 /nfs/dbraw/zinc/29/21/43/988292143.db2.gz GXLZQXDWRPIHSO-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C[C@H](O)COC)C2)CC[N@@H+]1C ZINC001373509394 988411443 /nfs/dbraw/zinc/41/14/43/988411443.db2.gz VMXMEUWZTAZXRJ-SOUVJXGZSA-N 1 3 313.442 -0.228 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCC2CN(C[C@H](O)COC)C2)CC[N@H+]1C ZINC001373509394 988411452 /nfs/dbraw/zinc/41/14/52/988411452.db2.gz VMXMEUWZTAZXRJ-SOUVJXGZSA-N 1 3 313.442 -0.228 20 0 DBADHO COC[C@H](O)CN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373591130 988474425 /nfs/dbraw/zinc/47/44/25/988474425.db2.gz CFEHRGIUXBAYNF-RRFJBIMHSA-N 1 3 311.426 -0.474 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001373965027 988696270 /nfs/dbraw/zinc/69/62/70/988696270.db2.gz HOBWQJDCSQYJFO-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@H](C)C1 ZINC001373965023 988697299 /nfs/dbraw/zinc/69/72/99/988697299.db2.gz HOBWQJDCSQYJFO-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001373965017 988698862 /nfs/dbraw/zinc/69/88/62/988698862.db2.gz HOBWQJDCSQYJFO-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001373974573 988704760 /nfs/dbraw/zinc/70/47/60/988704760.db2.gz OIQYLNVXMMBDNV-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001373974573 988704777 /nfs/dbraw/zinc/70/47/77/988704777.db2.gz OIQYLNVXMMBDNV-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001374652508 989087666 /nfs/dbraw/zinc/08/76/66/989087666.db2.gz UUEICCMACQNQGZ-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)[C@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001374729313 989174482 /nfs/dbraw/zinc/17/44/82/989174482.db2.gz WECLPURTYXNNRD-TZMCWYRMSA-N 1 3 310.442 -0.149 20 0 DBADHO CC(C)[C@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001374729313 989174488 /nfs/dbraw/zinc/17/44/88/989174488.db2.gz WECLPURTYXNNRD-TZMCWYRMSA-N 1 3 310.442 -0.149 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001374848116 989260234 /nfs/dbraw/zinc/26/02/34/989260234.db2.gz CZYWYZWFQUXRDZ-ZJUUUORDSA-N 1 3 301.391 -0.996 20 0 DBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001374898489 989297161 /nfs/dbraw/zinc/29/71/61/989297161.db2.gz PKLWDGVDGHAUEO-JQWIXIFHSA-N 1 3 315.418 -0.878 20 0 DBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001374906086 989305575 /nfs/dbraw/zinc/30/55/75/989305575.db2.gz NVZVIJUXDMTQPK-YNEHKIRRSA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001374983174 989344211 /nfs/dbraw/zinc/34/42/11/989344211.db2.gz ZKGNSULTIKDOOT-NSHDSACASA-N 1 3 313.402 -0.848 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001375221759 989496731 /nfs/dbraw/zinc/49/67/31/989496731.db2.gz CUJOWHPYXYHFNW-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001375252851 989512733 /nfs/dbraw/zinc/51/27/33/989512733.db2.gz QSFSRPOEMDSVQR-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001375272666 989522899 /nfs/dbraw/zinc/52/28/99/989522899.db2.gz MWAYAQJTSBCWMN-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001375272666 989522917 /nfs/dbraw/zinc/52/29/17/989522917.db2.gz MWAYAQJTSBCWMN-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001375273855 989526300 /nfs/dbraw/zinc/52/63/00/989526300.db2.gz TXFYGCKDRTZARH-QWRGUYRKSA-N 1 3 313.402 -0.994 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCNC2=O)CC1 ZINC001375425570 989596646 /nfs/dbraw/zinc/59/66/46/989596646.db2.gz PTBNQZMQJNBHIX-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCNC2=O)CC1 ZINC001375425570 989596650 /nfs/dbraw/zinc/59/66/50/989596650.db2.gz PTBNQZMQJNBHIX-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCNC2=O)CC1 ZINC001375425569 989596822 /nfs/dbraw/zinc/59/68/22/989596822.db2.gz PTBNQZMQJNBHIX-CHWSQXEVSA-N 1 3 308.426 -0.012 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCNC2=O)CC1 ZINC001375425569 989596829 /nfs/dbraw/zinc/59/68/29/989596829.db2.gz PTBNQZMQJNBHIX-CHWSQXEVSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NCC1CC1 ZINC001491568385 1015495776 /nfs/dbraw/zinc/49/57/76/1015495776.db2.gz KGADXSSARBDACX-GFCCVEGCSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001375559477 989660974 /nfs/dbraw/zinc/66/09/74/989660974.db2.gz WCSCKGOAGUTAON-XYPYZODXSA-N 1 3 313.402 -0.993 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](N(CCO)CCO)C2)C1 ZINC001375624837 989696638 /nfs/dbraw/zinc/69/66/38/989696638.db2.gz ZMKRDCMRDUYFQU-GJZGRUSLSA-N 1 3 313.442 -0.394 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H](N(CCO)CCO)C2)C1 ZINC001375624837 989696643 /nfs/dbraw/zinc/69/66/43/989696643.db2.gz ZMKRDCMRDUYFQU-GJZGRUSLSA-N 1 3 313.442 -0.394 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001375888142 989821451 /nfs/dbraw/zinc/82/14/51/989821451.db2.gz IMVUEWPPVPFYCS-HIFRSBDPSA-N 1 3 310.398 -0.212 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001376063545 989862889 /nfs/dbraw/zinc/86/28/89/989862889.db2.gz XWIOUFIDQHQFFC-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001376332385 990022268 /nfs/dbraw/zinc/02/22/68/990022268.db2.gz RQBHQGCTJKXDDD-GARJFASQSA-N 1 3 313.402 -0.900 20 0 DBADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376343237 990026236 /nfs/dbraw/zinc/02/62/36/990026236.db2.gz JWRNHLKIHPSORS-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001376414497 990053718 /nfs/dbraw/zinc/05/37/18/990053718.db2.gz CLCXQNYGIICAEO-MCIONIFRSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001376546072 990169231 /nfs/dbraw/zinc/16/92/31/990169231.db2.gz CXHFCBFSVLLVBG-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[C@@H](C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001376546076 990169400 /nfs/dbraw/zinc/16/94/00/990169400.db2.gz CXHFCBFSVLLVBG-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO COC[C@H](O)C[NH+]1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001376620543 990227741 /nfs/dbraw/zinc/22/77/41/990227741.db2.gz BBQSRBKDKAOUAM-CQSZACIVSA-N 1 3 322.409 -0.116 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21)N(C)C ZINC001376652706 990247456 /nfs/dbraw/zinc/24/74/56/990247456.db2.gz WLKKGIWYINJQRG-KHMAMNHCSA-N 1 3 322.453 -0.006 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21)N(C)C ZINC001376652706 990247467 /nfs/dbraw/zinc/24/74/67/990247467.db2.gz WLKKGIWYINJQRG-KHMAMNHCSA-N 1 3 322.453 -0.006 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21)N(C)C ZINC001376652547 990247556 /nfs/dbraw/zinc/24/75/56/990247556.db2.gz RWPXBWOSLOSNMH-XPABHHOTSA-N 1 3 322.453 -0.006 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21)N(C)C ZINC001376652547 990247568 /nfs/dbraw/zinc/24/75/68/990247568.db2.gz RWPXBWOSLOSNMH-XPABHHOTSA-N 1 3 322.453 -0.006 20 0 DBADHO CNC(=O)[C@H](C)N[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001376821985 990333706 /nfs/dbraw/zinc/33/37/06/990333706.db2.gz SCFYDCCTOWBXDZ-RYUDHWBXSA-N 1 3 324.429 -0.713 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001376848516 990348364 /nfs/dbraw/zinc/34/83/64/990348364.db2.gz KSPZOHLQEJXKSP-STQMWFEESA-N 1 3 319.471 -0.143 20 0 DBADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)C2)CC1 ZINC001376918576 990383748 /nfs/dbraw/zinc/38/37/48/990383748.db2.gz VWISZPHOCOCPSJ-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001377072405 990435031 /nfs/dbraw/zinc/43/50/31/990435031.db2.gz ZZWGUOSGJMRRKS-WDEREUQCSA-N 1 3 313.402 -0.993 20 0 DBADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001377105654 990442969 /nfs/dbraw/zinc/44/29/69/990442969.db2.gz SCLSFTBTTKSBOW-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CN(C)C(C)C ZINC001491681740 1015565628 /nfs/dbraw/zinc/56/56/28/1015565628.db2.gz HFTSZDVCVWXQBA-LLVKDONJSA-N 1 3 315.418 -0.733 20 0 DBADHO O=C(CC[NH+]1CCCCC1)NC1(CO)CCN(CCO)CC1 ZINC001377579761 990664137 /nfs/dbraw/zinc/66/41/37/990664137.db2.gz QQJJTLDFOOIGDG-UHFFFAOYSA-N 1 3 313.442 -0.202 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001377761867 990723370 /nfs/dbraw/zinc/72/33/70/990723370.db2.gz QCAAWEZWVGBZCE-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001377761867 990723377 /nfs/dbraw/zinc/72/33/77/990723377.db2.gz QCAAWEZWVGBZCE-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](C)NCC(N)=O ZINC001377796424 990737433 /nfs/dbraw/zinc/73/74/33/990737433.db2.gz APPOBRVWQNGTOO-WDEREUQCSA-N 1 3 310.402 -0.974 20 0 DBADHO C[C@@H](NCC(=O)N1CCOCC1)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001377851133 990757187 /nfs/dbraw/zinc/75/71/87/990757187.db2.gz RQGDDRYDJXGQRL-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCCS(C)(=O)=O ZINC001378315922 990928591 /nfs/dbraw/zinc/92/85/91/990928591.db2.gz JAXFFJCFKQYWKI-GFCCVEGCSA-N 1 3 317.455 -0.389 20 0 DBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCN(C)C1=O ZINC001378315379 990928822 /nfs/dbraw/zinc/92/88/22/990928822.db2.gz HWRQUHZJTIXLDE-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001491765695 1015614704 /nfs/dbraw/zinc/61/47/04/1015614704.db2.gz SVLNDLQYLJGDPJ-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO C[C@@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)N[C@@H](C)C(N)=O ZINC001379133756 991349563 /nfs/dbraw/zinc/34/95/63/991349563.db2.gz SKWLJBBRMNJJRN-RYUDHWBXSA-N 1 3 324.429 -0.631 20 0 DBADHO C[C@@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N1CCOCC1 ZINC001379222940 991449773 /nfs/dbraw/zinc/44/97/73/991449773.db2.gz NFAYDRWWYOJQHV-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCC(N)=O)CCCCC1 ZINC001379240078 991466033 /nfs/dbraw/zinc/46/60/33/991466033.db2.gz YIKSFVYNVPWRNZ-GFCCVEGCSA-N 1 3 314.430 -0.950 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001379246156 991473440 /nfs/dbraw/zinc/47/34/40/991473440.db2.gz ZHWZJGQQFBSRBO-LSDHHAIUSA-N 1 3 323.441 -0.062 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cn1 ZINC001379246152 991473878 /nfs/dbraw/zinc/47/38/78/991473878.db2.gz ZHWZJGQQFBSRBO-HUUCEWRRSA-N 1 3 323.441 -0.062 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001379299350 991527498 /nfs/dbraw/zinc/52/74/98/991527498.db2.gz XLXNTEWRVIAJHT-OLZOCXBDSA-N 1 3 314.430 -0.986 20 0 DBADHO CCN(CCN[C@H](C)C(=O)NC(=O)NC)C(=O)CC[NH+](C)C ZINC001379326337 991547196 /nfs/dbraw/zinc/54/71/96/991547196.db2.gz PHIQMWZLFZPVDZ-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO CCCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491837226 1015644212 /nfs/dbraw/zinc/64/42/12/1015644212.db2.gz IPKPLFYCMABIQT-LBPRGKRZSA-N 1 3 307.398 -0.084 20 0 DBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001379446113 991679639 /nfs/dbraw/zinc/67/96/39/991679639.db2.gz UTTQLIPTEGUWFO-NEPJUHHUSA-N 1 3 314.430 -0.674 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001379566665 991792991 /nfs/dbraw/zinc/79/29/91/991792991.db2.gz ISSXEOBVKGGRJW-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001379583883 991806727 /nfs/dbraw/zinc/80/67/27/991806727.db2.gz WCLQOPUKUNGJRH-LBPRGKRZSA-N 1 3 308.426 -0.297 20 0 DBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1 ZINC001379822077 991938704 /nfs/dbraw/zinc/93/87/04/991938704.db2.gz ZCYRQQFXKSDLNL-CHWSQXEVSA-N 1 3 314.430 -0.997 20 0 DBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1 ZINC001379822077 991938724 /nfs/dbraw/zinc/93/87/24/991938724.db2.gz ZCYRQQFXKSDLNL-CHWSQXEVSA-N 1 3 314.430 -0.997 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001380266329 992221717 /nfs/dbraw/zinc/22/17/17/992221717.db2.gz BTGLKEBIHBMKCT-QWHCGFSZSA-N 1 3 316.421 -0.007 20 0 DBADHO CCCN(C)CC(=O)NCC1([NH2+]CC(N)=O)CCOCC1 ZINC001380503789 992338289 /nfs/dbraw/zinc/33/82/89/992338289.db2.gz FVCQPFIGZXWCDT-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(CCn2cccn2)C1 ZINC001380542669 992376517 /nfs/dbraw/zinc/37/65/17/992376517.db2.gz FMAQKCMHASJHNG-MRXNPFEDSA-N 1 3 323.441 -0.222 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(CCn2cccn2)C1 ZINC001380542669 992376527 /nfs/dbraw/zinc/37/65/27/992376527.db2.gz FMAQKCMHASJHNG-MRXNPFEDSA-N 1 3 323.441 -0.222 20 0 DBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001380567363 992399915 /nfs/dbraw/zinc/39/99/15/992399915.db2.gz RNKICOMFMRCMGD-GOEBONIOSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001380567363 992399926 /nfs/dbraw/zinc/39/99/26/992399926.db2.gz RNKICOMFMRCMGD-GOEBONIOSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001380567365 992400997 /nfs/dbraw/zinc/40/09/97/992400997.db2.gz RNKICOMFMRCMGD-HOCLYGCPSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001380567365 992401005 /nfs/dbraw/zinc/40/10/05/992401005.db2.gz RNKICOMFMRCMGD-HOCLYGCPSA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001380683257 992475951 /nfs/dbraw/zinc/47/59/51/992475951.db2.gz AUCMZFZPQNQUPX-STQMWFEESA-N 1 3 319.409 -0.131 20 0 DBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001380909140 992583317 /nfs/dbraw/zinc/58/33/17/992583317.db2.gz LJQQZCBKEQKKTF-STQMWFEESA-N 1 3 312.414 -0.837 20 0 DBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001380909140 992583324 /nfs/dbraw/zinc/58/33/24/992583324.db2.gz LJQQZCBKEQKKTF-STQMWFEESA-N 1 3 312.414 -0.837 20 0 DBADHO C[NH+]1CCC(C(=O)NC2(CO)CCN(CCCO)CC2)CC1 ZINC001381263433 992736756 /nfs/dbraw/zinc/73/67/56/992736756.db2.gz QJDFAYWNWDZTCX-UHFFFAOYSA-N 1 3 313.442 -0.346 20 0 DBADHO CCNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381418879 992796790 /nfs/dbraw/zinc/79/67/90/992796790.db2.gz KOKQVSUREZLSHX-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001381805737 992885819 /nfs/dbraw/zinc/88/58/19/992885819.db2.gz PECFCGJKSBMCNT-DZGCQCFKSA-N 1 3 323.441 -0.368 20 0 DBADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H](CNCC(N)=O)C1CC1 ZINC001382016444 992957456 /nfs/dbraw/zinc/95/74/56/992957456.db2.gz FNLGZLRSICXTJC-UONOGXRCSA-N 1 3 308.426 -0.360 20 0 DBADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728456 1015763053 /nfs/dbraw/zinc/76/30/53/1015763053.db2.gz QBDDNZXQBPKVDQ-XJKCOSOUSA-N 1 3 324.425 -0.872 20 0 DBADHO C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001382319643 993147966 /nfs/dbraw/zinc/14/79/66/993147966.db2.gz WGYFUPNHDZGXSL-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN1CC[C@H](N[C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1=O ZINC001382366060 993174128 /nfs/dbraw/zinc/17/41/28/993174128.db2.gz DTFTXOHYFSEEMC-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(C[C@H]1CNCCO1)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549729572 1015764778 /nfs/dbraw/zinc/76/47/78/1015764778.db2.gz SCSACGKWYUBTCV-KGLIPLIRSA-N 1 3 320.393 -0.183 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)C2)nn1 ZINC001549902344 1015775436 /nfs/dbraw/zinc/77/54/36/1015775436.db2.gz ASTGQZKBWFUUAK-UXIGCNINSA-N 1 3 304.398 -0.100 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550063257 1015782850 /nfs/dbraw/zinc/78/28/50/1015782850.db2.gz LPFVHVSXLQBRPZ-IPYPFGDCSA-N 1 3 322.413 -0.333 20 0 DBADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CN2CCC[C@H]2CO1 ZINC001550086854 1015787326 /nfs/dbraw/zinc/78/73/26/1015787326.db2.gz DRAHIHMKUVXKTC-HZSPNIEDSA-N 1 3 320.397 -0.708 20 0 DBADHO COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@@H](c3cnn(C)c3)C2)CCCCN1 ZINC001550068154 1015784978 /nfs/dbraw/zinc/78/49/78/1015784978.db2.gz XZZBRDOLDXUQSZ-YCPHGPKFSA-N 1 3 321.425 -0.168 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CC23CC[NH2+]CC3)CC1=O ZINC001550089996 1015788586 /nfs/dbraw/zinc/78/85/86/1015788586.db2.gz ZIDIPLKMLBXGPO-KGLIPLIRSA-N 1 3 322.453 -0.098 20 0 DBADHO N[C@@H](Cc1ccccc1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088950 1015788845 /nfs/dbraw/zinc/78/88/45/1015788845.db2.gz ZCWHVYWERIYJDL-GJZGRUSLSA-N 1 3 314.393 -0.001 20 0 DBADHO NCc1cn([C@H]2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)C2)nn1 ZINC001550096267 1015791692 /nfs/dbraw/zinc/79/16/92/1015791692.db2.gz ILHUEOBLKZEAAI-WDEREUQCSA-N 1 3 314.340 -0.245 20 0 DBADHO COC[C@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC001550097085 1015792196 /nfs/dbraw/zinc/79/21/96/1015792196.db2.gz YLOAWOXNDDCTFB-JSGCOSHPSA-N 1 3 308.386 -0.721 20 0 DBADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001383313432 993615199 /nfs/dbraw/zinc/61/51/99/993615199.db2.gz NBNAXZGBABLVAI-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[C@@H]1CN2CCN1CCC2 ZINC001550161294 1015797327 /nfs/dbraw/zinc/79/73/27/1015797327.db2.gz PMRIUZPRIOYYQR-WCVJEAGWSA-N 1 3 322.453 -0.520 20 0 DBADHO O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[C@@H]1CN2CCN1CCC2 ZINC001550161294 1015797339 /nfs/dbraw/zinc/79/73/39/1015797339.db2.gz PMRIUZPRIOYYQR-WCVJEAGWSA-N 1 3 322.453 -0.520 20 0 DBADHO O[C@@H]1C[C@@H]2CN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CCN2C1 ZINC001550351756 1015802585 /nfs/dbraw/zinc/80/25/85/1015802585.db2.gz WPHZUYUGBPRBJZ-UMVBOHGHSA-N 1 3 306.414 -0.547 20 0 DBADHO N[C@H](CC1CC1)C(=O)N[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550194710 1015799035 /nfs/dbraw/zinc/79/90/35/1015799035.db2.gz SZCIKOOSYUUJMV-UMVBOHGHSA-N 1 3 308.426 -0.123 20 0 DBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001383846652 993765888 /nfs/dbraw/zinc/76/58/88/993765888.db2.gz VFCBLFXGKTUJGT-RYUDHWBXSA-N 1 3 307.398 -0.133 20 0 DBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383846652 993765897 /nfs/dbraw/zinc/76/58/97/993765897.db2.gz VFCBLFXGKTUJGT-RYUDHWBXSA-N 1 3 307.398 -0.133 20 0 DBADHO Cn1nccc1[C@@H]1[C@@H](NC[C@@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1C ZINC001550436760 1015805774 /nfs/dbraw/zinc/80/57/74/1015805774.db2.gz PITIDOJZQRFNGD-HUBLWGQQSA-N 1 3 319.409 -0.340 20 0 DBADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)C[C@H]21 ZINC001550735286 1015812246 /nfs/dbraw/zinc/81/22/46/1015812246.db2.gz CSQQSXMWXIBUSN-XJFOESAGSA-N 1 3 308.426 -0.023 20 0 DBADHO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCNC[C@H](O)C1 ZINC001550732368 1015812605 /nfs/dbraw/zinc/81/26/05/1015812605.db2.gz SNHQMMNZVJFSSC-ZFWWWQNUSA-N 1 3 304.394 -0.151 20 0 DBADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H]1CCc2ncnn21 ZINC001492818816 1015814488 /nfs/dbraw/zinc/81/44/88/1015814488.db2.gz HNDOFURKOYBJQQ-ZDUSSCGKSA-N 1 3 318.425 -0.091 20 0 DBADHO CC(C)CNC(=O)CN[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550911580 1015815678 /nfs/dbraw/zinc/81/56/78/1015815678.db2.gz DUPCPQMNCWNPBM-XJKSGUPXSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1C[C@H](O)C[C@@H]1CNC(=O)N[C@@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551489657 1015828112 /nfs/dbraw/zinc/82/81/12/1015828112.db2.gz JQVALYLATMZJQT-GBOPCIDUSA-N 1 3 304.394 -0.025 20 0 DBADHO CN(C)C[C@H]1CN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CCO1 ZINC001552087017 1015837979 /nfs/dbraw/zinc/83/79/79/1015837979.db2.gz JODLZDOMXXVWSZ-NEPJUHHUSA-N 1 3 308.386 -0.785 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCNC(C)(C)C2)nn1 ZINC001552087827 1015839056 /nfs/dbraw/zinc/83/90/56/1015839056.db2.gz OMPJGDOUSTWBQL-DGCLKSJQSA-N 1 3 322.413 -0.810 20 0 DBADHO CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCNC(C)(C)C2)nn1 ZINC001552087822 1015839247 /nfs/dbraw/zinc/83/92/47/1015839247.db2.gz OMPJGDOUSTWBQL-AAEUAGOBSA-N 1 3 322.413 -0.810 20 0 DBADHO CCN1CCN(CCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC001552435458 1015860477 /nfs/dbraw/zinc/86/04/77/1015860477.db2.gz FQOPYVKICKUIBX-CYBMUJFWSA-N 1 3 320.441 -0.146 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552440499 1015862270 /nfs/dbraw/zinc/86/22/70/1015862270.db2.gz CEZIDXFZIZJUHH-NEPJUHHUSA-N 1 3 308.386 -0.689 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001401149826 994455239 /nfs/dbraw/zinc/45/52/39/994455239.db2.gz WMAWDFRFZWWXEL-CMPLNLGQSA-N 1 3 307.398 -0.119 20 0 DBADHO COc1ccc([C@@H]2CNCCN2C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)cc1 ZINC001552959751 1015871740 /nfs/dbraw/zinc/87/17/40/1015871740.db2.gz BIJGFFJKVGYLNJ-ZNMIVQPWSA-N 1 3 319.409 -0.268 20 0 DBADHO COc1ccc([C@@H]2CNCCN2C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)cc1 ZINC001552959751 1015871743 /nfs/dbraw/zinc/87/17/43/1015871743.db2.gz BIJGFFJKVGYLNJ-ZNMIVQPWSA-N 1 3 319.409 -0.268 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)c2)CCC1 ZINC001401544506 994630124 /nfs/dbraw/zinc/63/01/24/994630124.db2.gz FCDHSIVWHSEBDR-ZDUSSCGKSA-N 1 3 309.414 -0.529 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001401545250 994631415 /nfs/dbraw/zinc/63/14/15/994631415.db2.gz SDFWXJLTKOOAIN-HUUCEWRRSA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001401545250 994631421 /nfs/dbraw/zinc/63/14/21/994631421.db2.gz SDFWXJLTKOOAIN-HUUCEWRRSA-N 1 3 323.441 -0.139 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@H](O)CNCC(=O)N1CCCCC1 ZINC001401559907 994652169 /nfs/dbraw/zinc/65/21/69/994652169.db2.gz QSMRCMFKQOACQB-CYBMUJFWSA-N 1 3 314.430 -0.983 20 0 DBADHO Cc1ncsc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401569928 994665261 /nfs/dbraw/zinc/66/52/61/994665261.db2.gz BELZKFKRCKRRFR-NWDGAFQWSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1ncsc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401569928 994665274 /nfs/dbraw/zinc/66/52/74/994665274.db2.gz BELZKFKRCKRRFR-NWDGAFQWSA-N 1 3 312.439 -0.030 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1 ZINC001401591049 994687176 /nfs/dbraw/zinc/68/71/76/994687176.db2.gz UCEONXAASGBHND-CYBMUJFWSA-N 1 3 314.430 -0.984 20 0 DBADHO CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C)C1=O ZINC001401592704 994689597 /nfs/dbraw/zinc/68/95/97/994689597.db2.gz YKIWVXQIDWZRHJ-QWHCGFSZSA-N 1 3 314.430 -0.986 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001401629569 994714833 /nfs/dbraw/zinc/71/48/33/994714833.db2.gz ZNIYAVYEFWZBGY-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001401629569 994714837 /nfs/dbraw/zinc/71/48/37/994714837.db2.gz ZNIYAVYEFWZBGY-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)c1cnc([C@@H]2CCCN2)nc1 ZINC001553349664 1015884988 /nfs/dbraw/zinc/88/49/88/1015884988.db2.gz DIZWWQWTZIHWRY-ZDUSSCGKSA-N 1 3 304.398 -0.464 20 0 DBADHO CN(CCN1CC[NH2+]CC1)C(=O)c1cnc([C@H]2CCCN2)nc1 ZINC001553354960 1015885331 /nfs/dbraw/zinc/88/53/31/1015885331.db2.gz VJIOWIFTHQFJPP-CQSZACIVSA-N 1 3 318.425 -0.122 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001401660013 994736367 /nfs/dbraw/zinc/73/63/67/994736367.db2.gz RRWPJXJTKQVHBX-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001401660012 994737838 /nfs/dbraw/zinc/73/78/38/994737838.db2.gz RRWPJXJTKQVHBX-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO C[C@@H](NC[C@H](C)NC(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001401702584 994769413 /nfs/dbraw/zinc/76/94/13/994769413.db2.gz BAFBQUNTQITKGZ-VHSXEESVSA-N 1 3 313.402 -0.994 20 0 DBADHO Cn1cnc([C@H]2CN(C(=O)NC[C@H]3CCCN3C)C[C@H]2[NH3+])c1 ZINC001553433995 1015891531 /nfs/dbraw/zinc/89/15/31/1015891531.db2.gz GRJYRNDWDDGMJF-FRRDWIJNSA-N 1 3 306.414 -0.050 20 0 DBADHO O=C(NC[C@H]1CNCCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001553440417 1015892746 /nfs/dbraw/zinc/89/27/46/1015892746.db2.gz OGKALHUDICTFJD-CYBMUJFWSA-N 1 3 312.414 -0.471 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H](CN[C@H]2CCNC2=O)C2CC2)CC1 ZINC001401853873 994830525 /nfs/dbraw/zinc/83/05/25/994830525.db2.gz YFNVAKNZIOWIJM-STQMWFEESA-N 1 3 308.426 -0.299 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553502503 1015895758 /nfs/dbraw/zinc/89/57/58/1015895758.db2.gz KRACISPSJGHMCK-MJBXVCDLSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)N1CCC1 ZINC001402084793 994910054 /nfs/dbraw/zinc/91/00/54/994910054.db2.gz WFUFLGQKJAWRHO-AWEZNQCLSA-N 1 3 320.437 -0.105 20 0 DBADHO CN(CC(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)CC(C)(C)C ZINC001402291186 995047474 /nfs/dbraw/zinc/04/74/74/995047474.db2.gz JKANFDHGWOUMKR-INIZCTEOSA-N 1 3 315.458 -0.100 20 0 DBADHO CN(CC(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)CC(C)(C)C ZINC001402291186 995047483 /nfs/dbraw/zinc/04/74/83/995047483.db2.gz JKANFDHGWOUMKR-INIZCTEOSA-N 1 3 315.458 -0.100 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)N(C)C ZINC001402511773 995170443 /nfs/dbraw/zinc/17/04/43/995170443.db2.gz JTEGLNNKZCSWLO-KBUPBQIOSA-N 1 3 323.441 -0.179 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001402645214 995233420 /nfs/dbraw/zinc/23/34/20/995233420.db2.gz OAOUBEWMNDUWQE-MXWKQRLJSA-N 1 3 313.402 -0.853 20 0 DBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001402862272 995313432 /nfs/dbraw/zinc/31/34/32/995313432.db2.gz JVSYMOSVZFVJAY-MGPQQGTHSA-N 1 3 313.442 -0.350 20 0 DBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001402862272 995313438 /nfs/dbraw/zinc/31/34/38/995313438.db2.gz JVSYMOSVZFVJAY-MGPQQGTHSA-N 1 3 313.442 -0.350 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001402892556 995326287 /nfs/dbraw/zinc/32/62/87/995326287.db2.gz XDXNPRRYMSDNJA-JSGCOSHPSA-N 1 3 308.426 -0.345 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)CN(C)C1CCC1 ZINC001402908133 995334193 /nfs/dbraw/zinc/33/41/93/995334193.db2.gz PYUXHNHRKQLXHX-SNVBAGLBSA-N 1 3 313.402 -0.979 20 0 DBADHO CN(C)C1(C(=O)NC2CC(C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001402918746 995340224 /nfs/dbraw/zinc/34/02/24/995340224.db2.gz FDMNQFJMMVVEAH-WXRRBKDZSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H](NCCS(C)(=O)=O)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001403022321 995382000 /nfs/dbraw/zinc/38/20/00/995382000.db2.gz HNYLRHQFJWBIMW-NEPJUHHUSA-N 1 3 317.455 -0.390 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001403153946 995428550 /nfs/dbraw/zinc/42/85/50/995428550.db2.gz ARLXYAHJZDVFCI-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CNC(=O)CN[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001403174422 995436331 /nfs/dbraw/zinc/43/63/31/995436331.db2.gz UWLMHIPYTXXOSN-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CCN(CC)CC(=O)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001387754198 995469257 /nfs/dbraw/zinc/46/92/57/995469257.db2.gz CWAFZEFZAINJAU-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)Cc2c[nH]cn2)CC[N@@H+]1C ZINC001387770645 995477261 /nfs/dbraw/zinc/47/72/61/995477261.db2.gz GJJXGGPUUNZVGQ-DGCLKSJQSA-N 1 3 307.398 -0.133 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)Cc2c[nH]cn2)CC[N@H+]1C ZINC001387770645 995477270 /nfs/dbraw/zinc/47/72/70/995477270.db2.gz GJJXGGPUUNZVGQ-DGCLKSJQSA-N 1 3 307.398 -0.133 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001403420554 995517895 /nfs/dbraw/zinc/51/78/95/995517895.db2.gz SUBJATCCFMNAMO-OBJOEFQTSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001403619459 995599123 /nfs/dbraw/zinc/59/91/23/995599123.db2.gz AFCGGZLSZXLIRG-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001403619459 995599116 /nfs/dbraw/zinc/59/91/16/995599116.db2.gz AFCGGZLSZXLIRG-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001403620724 995600987 /nfs/dbraw/zinc/60/09/87/995600987.db2.gz IBPKVSWRILCCQA-WDEREUQCSA-N 1 3 315.418 -0.654 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001403725608 995675333 /nfs/dbraw/zinc/67/53/33/995675333.db2.gz UQQWRXFBJRQSCQ-STQMWFEESA-N 1 3 310.398 -0.246 20 0 DBADHO C[C@@H]1[C@H](NCCS(C)(=O)=O)CCN1C(=O)CCC[NH+](C)C ZINC001403754070 995691452 /nfs/dbraw/zinc/69/14/52/995691452.db2.gz XSPOFNRBRXWZAB-CHWSQXEVSA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CN1CCCC1 ZINC001403780464 995701453 /nfs/dbraw/zinc/70/14/53/995701453.db2.gz RXJNVGITHFTMRM-TZMCWYRMSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CN1CCCC1 ZINC001403780446 995702179 /nfs/dbraw/zinc/70/21/79/995702179.db2.gz RXJNVGITHFTMRM-JSGCOSHPSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)CN(C)C1CCC1 ZINC001403857034 995735782 /nfs/dbraw/zinc/73/57/82/995735782.db2.gz WYUXXAYSZUEKJO-ZFWWWQNUSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C[C@H](O)C[NH2+]Cc1ccnn1C)C(=O)CN(C)C1CCC1 ZINC001403857886 995736557 /nfs/dbraw/zinc/73/65/57/995736557.db2.gz YKTGZQPXXDNFIU-OAHLLOKOSA-N 1 3 323.441 -0.187 20 0 DBADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCOC1)C(=O)CN(C)C1CCC1 ZINC001403857019 995736750 /nfs/dbraw/zinc/73/67/50/995736750.db2.gz WYUXXAYSZUEKJO-DZGCQCFKSA-N 1 3 313.442 -0.084 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001403864964 995742441 /nfs/dbraw/zinc/74/24/41/995742441.db2.gz UHCODGMGQADBKO-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001388981719 995793437 /nfs/dbraw/zinc/79/34/37/995793437.db2.gz IBMORUPYJJCJRT-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001388981719 995793443 /nfs/dbraw/zinc/79/34/43/995793443.db2.gz IBMORUPYJJCJRT-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO COC[C@@H](O)CN1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001404014257 995802294 /nfs/dbraw/zinc/80/22/94/995802294.db2.gz RTMNTETWUIAPRQ-KBPBESRZSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H](NCCN(C)C(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001404334916 995859114 /nfs/dbraw/zinc/85/91/14/995859114.db2.gz POSPQVHAXLYAAT-CYBMUJFWSA-N 1 3 314.430 -0.591 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001389212955 995898223 /nfs/dbraw/zinc/89/82/23/995898223.db2.gz ACTVUXUVFGGQST-HNNXBMFYSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(C[C@H](O)COC)C1 ZINC001389401524 995968036 /nfs/dbraw/zinc/96/80/36/995968036.db2.gz NZHGDUFHHGBFMW-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C[C@H](O)COC)C1 ZINC001389401524 995968044 /nfs/dbraw/zinc/96/80/44/995968044.db2.gz NZHGDUFHHGBFMW-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001389683839 996069529 /nfs/dbraw/zinc/06/95/29/996069529.db2.gz FGALHTCGPFIWMG-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389683839 996069535 /nfs/dbraw/zinc/06/95/35/996069535.db2.gz FGALHTCGPFIWMG-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001389821384 996111600 /nfs/dbraw/zinc/11/16/00/996111600.db2.gz SGCJQQAFFWSEOV-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)C1 ZINC001389821384 996111605 /nfs/dbraw/zinc/11/16/05/996111605.db2.gz SGCJQQAFFWSEOV-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001389992392 996158955 /nfs/dbraw/zinc/15/89/55/996158955.db2.gz WMSCITFWRDXEGE-XJFOESAGSA-N 1 3 301.431 -0.183 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001389997118 996160266 /nfs/dbraw/zinc/16/02/66/996160266.db2.gz BCMPOYGFNCRMNQ-XQQFMLRXSA-N 1 3 311.430 -0.411 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001390009408 996163367 /nfs/dbraw/zinc/16/33/67/996163367.db2.gz XKHGEJUHVWLZIZ-GARJFASQSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@@H](N[C@@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001390359198 996233026 /nfs/dbraw/zinc/23/30/26/996233026.db2.gz AVXNKKLFUOIYOU-WDEREUQCSA-N 1 3 310.402 -0.974 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCCS(C)(=O)=O)CC[N@@H+]1C ZINC001390379930 996237393 /nfs/dbraw/zinc/23/73/93/996237393.db2.gz VLGRSGCEUCAHRP-RWMBFGLXSA-N 1 3 319.471 -0.144 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCCS(C)(=O)=O)CC[N@H+]1C ZINC001390379930 996237400 /nfs/dbraw/zinc/23/74/00/996237400.db2.gz VLGRSGCEUCAHRP-RWMBFGLXSA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NCC(N)=O ZINC001390479096 996272830 /nfs/dbraw/zinc/27/28/30/996272830.db2.gz JJBUMWQZYGIKNL-YUELXQCFSA-N 1 3 318.421 -0.089 20 0 DBADHO C[C@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NCC(N)=O ZINC001390479096 996272836 /nfs/dbraw/zinc/27/28/36/996272836.db2.gz JJBUMWQZYGIKNL-YUELXQCFSA-N 1 3 318.421 -0.089 20 0 DBADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001390674839 996339653 /nfs/dbraw/zinc/33/96/53/996339653.db2.gz YLQQKOLOIQFHSJ-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C[C@H](O)COC ZINC001390900755 996405319 /nfs/dbraw/zinc/40/53/19/996405319.db2.gz IKDZHIIRKZRZTP-GJZGRUSLSA-N 1 3 313.442 -0.226 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001391119026 996459524 /nfs/dbraw/zinc/45/95/24/996459524.db2.gz RPVOREOIRDXFSF-KBPBESRZSA-N 1 3 301.431 -0.228 20 0 DBADHO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001391119026 996459529 /nfs/dbraw/zinc/45/95/29/996459529.db2.gz RPVOREOIRDXFSF-KBPBESRZSA-N 1 3 301.431 -0.228 20 0 DBADHO CCCN(C)CC(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001391232978 996497436 /nfs/dbraw/zinc/49/74/36/996497436.db2.gz YSWYMDTUUFTYPE-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO O=C(CN1CCCC1)NCC[C@@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001391330941 996516086 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CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(N)=O ZINC001391695018 996611196 /nfs/dbraw/zinc/61/11/96/996611196.db2.gz RBWGEPZEWQKKMO-GMTAPVOTSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(N)=O ZINC001391695018 996611198 /nfs/dbraw/zinc/61/11/98/996611198.db2.gz RBWGEPZEWQKKMO-GMTAPVOTSA-N 1 3 313.402 -0.994 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001391861350 996643969 /nfs/dbraw/zinc/64/39/69/996643969.db2.gz LVUCVYWYSJPKGC-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001391861350 996643977 /nfs/dbraw/zinc/64/39/77/996643977.db2.gz LVUCVYWYSJPKGC-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001392077157 996718999 /nfs/dbraw/zinc/71/89/99/996718999.db2.gz WEXVSILBDIYHHZ-QWHCGFSZSA-N 1 3 301.431 -0.086 20 0 DBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001493769712 1016060454 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DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001392410196 996885941 /nfs/dbraw/zinc/88/59/41/996885941.db2.gz QDPNQQREJBNMHU-HNNXBMFYSA-N 1 3 323.441 -0.281 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001392483668 996964380 /nfs/dbraw/zinc/96/43/80/996964380.db2.gz MCUXNWUHUDWMGD-SNVBAGLBSA-N 1 3 313.402 -0.979 20 0 DBADHO C[C@H](CNCC(=O)N1CCOCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001392523003 996999852 /nfs/dbraw/zinc/99/98/52/996999852.db2.gz GHLZHQSVPLWNQJ-CYBMUJFWSA-N 1 3 324.425 -0.965 20 0 DBADHO CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001405336317 997205333 /nfs/dbraw/zinc/20/53/33/997205333.db2.gz CLWAIYNROJMTKK-NWDGAFQWSA-N 1 3 305.444 -0.533 20 0 DBADHO CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001405336317 997205346 /nfs/dbraw/zinc/20/53/46/997205346.db2.gz CLWAIYNROJMTKK-NWDGAFQWSA-N 1 3 305.444 -0.533 20 0 DBADHO CN(C)C(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001493996985 1016113906 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Cn1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001406249657 997621818 /nfs/dbraw/zinc/62/18/18/997621818.db2.gz VIIMBCOEKHIFGP-ZIAGYGMSSA-N 1 3 309.414 -0.529 20 0 DBADHO Cn1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001406249657 997621823 /nfs/dbraw/zinc/62/18/23/997621823.db2.gz VIIMBCOEKHIFGP-ZIAGYGMSSA-N 1 3 309.414 -0.529 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001393408245 997641387 /nfs/dbraw/zinc/64/13/87/997641387.db2.gz JBADBMYBLKLNBQ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393408245 997641394 /nfs/dbraw/zinc/64/13/94/997641394.db2.gz JBADBMYBLKLNBQ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001393417179 997647292 /nfs/dbraw/zinc/64/72/92/997647292.db2.gz IASQCDCVAOYHMZ-SCRDCRAPSA-N 1 3 308.382 -0.650 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]2C1 ZINC001393417179 997647306 /nfs/dbraw/zinc/64/73/06/997647306.db2.gz IASQCDCVAOYHMZ-SCRDCRAPSA-N 1 3 308.382 -0.650 20 0 DBADHO CCN(CCN[C@@H]1CCNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001406310774 997686602 /nfs/dbraw/zinc/68/66/02/997686602.db2.gz NNEBJHSPBQKZGO-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406329902 997696279 /nfs/dbraw/zinc/69/62/79/997696279.db2.gz ORICTJWYXMSXGQ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406329902 997696285 /nfs/dbraw/zinc/69/62/85/997696285.db2.gz ORICTJWYXMSXGQ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1)C(N)=O ZINC001393589557 997753947 /nfs/dbraw/zinc/75/39/47/997753947.db2.gz MKDBTZHXQXHXFG-YPMHNXCESA-N 1 3 312.414 -0.981 20 0 DBADHO COC[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001393627237 997778925 /nfs/dbraw/zinc/77/89/25/997778925.db2.gz MSGMDKLPUDGZCT-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001393627237 997778936 /nfs/dbraw/zinc/77/89/36/997778936.db2.gz MSGMDKLPUDGZCT-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001406468972 997779530 /nfs/dbraw/zinc/77/95/30/997779530.db2.gz UFZVUIUEBSGLLJ-MJBXVCDLSA-N 1 3 301.431 -0.039 20 0 DBADHO C[C@@H](NCc1cnnn1C)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001393992071 997921636 /nfs/dbraw/zinc/92/16/36/997921636.db2.gz ILOPRAPCKCZMRA-NEPJUHHUSA-N 1 3 306.414 -0.106 20 0 DBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001407118442 998024169 /nfs/dbraw/zinc/02/41/69/998024169.db2.gz QEDISRNKWPBNBJ-KBPBESRZSA-N 1 3 308.426 -0.345 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407261334 998085821 /nfs/dbraw/zinc/08/58/21/998085821.db2.gz WRDLQLINWSKPAX-NHYWBVRUSA-N 1 3 307.398 -0.085 20 0 DBADHO CC[N@H+](C)CCC(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001407311802 998100761 /nfs/dbraw/zinc/10/07/61/998100761.db2.gz 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ZINC001407882228 998414433 /nfs/dbraw/zinc/41/44/33/998414433.db2.gz YQJVCAJVQWPIBX-MCIONIFRSA-N 1 3 317.430 -0.849 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2ccnn2C)CCC1 ZINC001394742151 998433905 /nfs/dbraw/zinc/43/39/05/998433905.db2.gz PJWZOHPDLXBXSB-AWEZNQCLSA-N 1 3 323.441 -0.187 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)CCNC(=O)CN(C)C(C)C ZINC001408248661 998570566 /nfs/dbraw/zinc/57/05/66/998570566.db2.gz DORQLDLDVYIFSH-NSHDSACASA-N 1 3 315.418 -0.733 20 0 DBADHO CN(C[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001396493526 998869195 /nfs/dbraw/zinc/86/91/95/998869195.db2.gz FLOQUAUZVQLWAO-TZMCWYRMSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001396493526 998869198 /nfs/dbraw/zinc/86/91/98/998869198.db2.gz FLOQUAUZVQLWAO-TZMCWYRMSA-N 1 3 319.409 -0.037 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](N(CCO)CCO)C1 ZINC001397228918 998997094 /nfs/dbraw/zinc/99/70/94/998997094.db2.gz RRDRVYVVYUOVOY-CQSZACIVSA-N 1 3 301.431 -0.394 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001397350932 999019689 /nfs/dbraw/zinc/01/96/89/999019689.db2.gz AUTAOBOQWDHRSV-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001397670910 999107774 /nfs/dbraw/zinc/10/77/74/999107774.db2.gz YJZJDRSMRCHFTE-TUVASFSCSA-N 1 3 313.442 -0.180 20 0 DBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001397804184 999137244 /nfs/dbraw/zinc/13/72/44/999137244.db2.gz OXCAXVLNCASPLI-RDBSUJKOSA-N 1 3 313.442 -0.086 20 0 DBADHO CN(C)C1(C(=O)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001397928809 999175145 /nfs/dbraw/zinc/17/51/45/999175145.db2.gz PBFBUFAJUVJPEA-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C1(C(=O)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001397928809 999175147 /nfs/dbraw/zinc/17/51/47/999175147.db2.gz PBFBUFAJUVJPEA-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001398649623 999327130 /nfs/dbraw/zinc/32/71/30/999327130.db2.gz CINNADIDLXRMCL-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001398649623 999327135 /nfs/dbraw/zinc/32/71/35/999327135.db2.gz CINNADIDLXRMCL-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)[C@H](C(=O)NC1CN(C(=O)[C@@H]2CCCN2C)C1)[NH+](C)C ZINC001398660431 999331164 /nfs/dbraw/zinc/33/11/64/999331164.db2.gz QWQASNHWIDJTFM-UONOGXRCSA-N 1 3 310.442 -0.006 20 0 DBADHO CC(C)[C@H](C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001398660436 999331345 /nfs/dbraw/zinc/33/13/45/999331345.db2.gz QWQASNHWIDJTFM-ZIAGYGMSSA-N 1 3 310.442 -0.006 20 0 DBADHO CN1CC[C@@H](N2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001399929754 999527517 /nfs/dbraw/zinc/52/75/17/999527517.db2.gz LSFYYULOOSVQBP-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001408574721 1000231244 /nfs/dbraw/zinc/23/12/44/1000231244.db2.gz YPCDOVHRVSROFK-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001408574721 1000231253 /nfs/dbraw/zinc/23/12/53/1000231253.db2.gz YPCDOVHRVSROFK-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO CCCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001420788953 1000243583 /nfs/dbraw/zinc/24/35/83/1000243583.db2.gz OXJHUUJOYSRNJG-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420788953 1000243588 /nfs/dbraw/zinc/24/35/88/1000243588.db2.gz OXJHUUJOYSRNJG-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001409098556 1000363351 /nfs/dbraw/zinc/36/33/51/1000363351.db2.gz BKZVKZDFOQHIQM-ZDUSSCGKSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](O)CN1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001421620218 1000566488 /nfs/dbraw/zinc/56/64/88/1000566488.db2.gz PEJQBXLEQTWVIX-DZGCQCFKSA-N 1 3 301.431 -0.348 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001421833546 1000641895 /nfs/dbraw/zinc/64/18/95/1000641895.db2.gz QTUVRIOIIIVWFK-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001421833546 1000641900 /nfs/dbraw/zinc/64/19/00/1000641900.db2.gz QTUVRIOIIIVWFK-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421995171 1000693150 /nfs/dbraw/zinc/69/31/50/1000693150.db2.gz UQZPQWRYAKNRQK-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421995171 1000693161 /nfs/dbraw/zinc/69/31/61/1000693161.db2.gz UQZPQWRYAKNRQK-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](C(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1)N(C)C ZINC001422188405 1000757788 /nfs/dbraw/zinc/75/77/88/1000757788.db2.gz LXZLAXUNEHRORT-QWHCGFSZSA-N 1 3 301.431 -0.350 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410443449 1000769955 /nfs/dbraw/zinc/76/99/55/1000769955.db2.gz UMGUDPKIPMDEIJ-QWRGUYRKSA-N 1 3 315.418 -0.781 20 0 DBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCCNC1=O ZINC001410493721 1000785287 /nfs/dbraw/zinc/78/52/87/1000785287.db2.gz MRPCHSUIQJGFMI-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001410638721 1000838772 /nfs/dbraw/zinc/83/87/72/1000838772.db2.gz ZUCXBEVFLVAADA-KBPBESRZSA-N 1 3 324.429 -0.782 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CC[C@H]2CCOC2)CCC1 ZINC001410639293 1000839983 /nfs/dbraw/zinc/83/99/83/1000839983.db2.gz AJKYDYXJZYWBKM-KBPBESRZSA-N 1 3 313.442 -0.036 20 0 DBADHO CCn1nnc(C)c1CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422402738 1000861374 /nfs/dbraw/zinc/86/13/74/1000861374.db2.gz KIDGWVIQXDQUAM-STQMWFEESA-N 1 3 324.429 -0.875 20 0 DBADHO CCn1nnc(C)c1CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422402738 1000861375 /nfs/dbraw/zinc/86/13/75/1000861375.db2.gz KIDGWVIQXDQUAM-STQMWFEESA-N 1 3 324.429 -0.875 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001422425100 1000867900 /nfs/dbraw/zinc/86/79/00/1000867900.db2.gz RVBGZQHXPWTYRF-OLZOCXBDSA-N 1 3 314.430 -0.936 20 0 DBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001422490668 1000883834 /nfs/dbraw/zinc/88/38/34/1000883834.db2.gz LQCAUXHXSIVFAU-GFCCVEGCSA-N 1 3 324.429 -0.759 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001410780818 1000900983 /nfs/dbraw/zinc/90/09/83/1000900983.db2.gz JEABHLVUSIWHIP-STQMWFEESA-N 1 3 310.398 -0.246 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001410780809 1000901672 /nfs/dbraw/zinc/90/16/72/1000901672.db2.gz JEABHLVUSIWHIP-CHWSQXEVSA-N 1 3 310.398 -0.246 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001410788900 1000906670 /nfs/dbraw/zinc/90/66/70/1000906670.db2.gz ORDTWNQPEJUNKV-KGLIPLIRSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@H](C[NH2+]C[C@H]1CCS(=O)(=O)C1)NC(=O)Cc1cnc[nH]1 ZINC001422569554 1000913476 /nfs/dbraw/zinc/91/34/76/1000913476.db2.gz QQIYOGWJYQWCIX-GHMZBOCLSA-N 1 3 314.411 -0.519 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](C[C@H](O)COC)C1)N(C)C ZINC001422739970 1000992289 /nfs/dbraw/zinc/99/22/89/1000992289.db2.gz PWSINUYDHBSVAM-XBFCOCLRSA-N 1 3 301.431 -0.230 20 0 DBADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001411166521 1001052897 /nfs/dbraw/zinc/05/28/97/1001052897.db2.gz DMTFZABUFHAVBI-HZSPNIEDSA-N 1 3 301.431 -0.276 20 0 DBADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001411166521 1001052904 /nfs/dbraw/zinc/05/29/04/1001052904.db2.gz DMTFZABUFHAVBI-HZSPNIEDSA-N 1 3 301.431 -0.276 20 0 DBADHO CNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001423115935 1001122533 /nfs/dbraw/zinc/12/25/33/1001122533.db2.gz ZOQRSLJGENIYSM-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001423216345 1001179923 /nfs/dbraw/zinc/17/99/23/1001179923.db2.gz HUYMQMHNUFJFDW-QWHCGFSZSA-N 1 3 301.431 -0.302 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)[C@H]1C ZINC001423321214 1001255970 /nfs/dbraw/zinc/25/59/70/1001255970.db2.gz LKDQZOLNMRJSHN-CHWSQXEVSA-N 1 3 319.471 -0.048 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)[C@H]1C ZINC001423321214 1001255975 /nfs/dbraw/zinc/25/59/75/1001255975.db2.gz LKDQZOLNMRJSHN-CHWSQXEVSA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001423341262 1001260688 /nfs/dbraw/zinc/26/06/88/1001260688.db2.gz KQYLSEDPIUDVKR-OCCSQVGLSA-N 1 3 320.437 -0.060 20 0 DBADHO CCNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001423396395 1001279321 /nfs/dbraw/zinc/27/93/21/1001279321.db2.gz AVYHXEAMDOGZHQ-OLZOCXBDSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001423396395 1001279331 /nfs/dbraw/zinc/27/93/31/1001279331.db2.gz AVYHXEAMDOGZHQ-OLZOCXBDSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001423450933 1001312735 /nfs/dbraw/zinc/31/27/35/1001312735.db2.gz HOZVLADYUIPNNF-AWEZNQCLSA-N 1 3 323.441 -0.329 20 0 DBADHO C[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)[NH+]1CCCCCC1 ZINC001423463105 1001318916 /nfs/dbraw/zinc/31/89/16/1001318916.db2.gz HHQDZJUTJXITHO-CHWSQXEVSA-N 1 3 314.430 -0.855 20 0 DBADHO C[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)[NH+]1CCCCCC1 ZINC001423463118 1001319177 /nfs/dbraw/zinc/31/91/77/1001319177.db2.gz HHQDZJUTJXITHO-QWHCGFSZSA-N 1 3 314.430 -0.855 20 0 DBADHO C[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)[NH+]1CCCCCC1 ZINC001423463126 1001320124 /nfs/dbraw/zinc/32/01/24/1001320124.db2.gz HHQDZJUTJXITHO-STQMWFEESA-N 1 3 314.430 -0.855 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001424033783 1001550822 /nfs/dbraw/zinc/55/08/22/1001550822.db2.gz DFKZFOKOAWQYNJ-DZGCQCFKSA-N 1 3 301.431 -0.348 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001424033783 1001550831 /nfs/dbraw/zinc/55/08/31/1001550831.db2.gz DFKZFOKOAWQYNJ-DZGCQCFKSA-N 1 3 301.431 -0.348 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCCN(CCCO)C2)C1 ZINC001424027542 1001549925 /nfs/dbraw/zinc/54/99/25/1001549925.db2.gz UIAUYYKATKXWFD-ZBFHGGJFSA-N 1 3 313.442 -0.346 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]2(CO)CCCN(CCCO)C2)C1 ZINC001424027542 1001549926 /nfs/dbraw/zinc/54/99/26/1001549926.db2.gz UIAUYYKATKXWFD-ZBFHGGJFSA-N 1 3 313.442 -0.346 20 0 DBADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)N1CCC1 ZINC001424477260 1001648192 /nfs/dbraw/zinc/64/81/92/1001648192.db2.gz HCGRNRGKRGHXLH-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN(C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001425438083 1002080723 /nfs/dbraw/zinc/08/07/23/1002080723.db2.gz RKGSPNADSBTTRC-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN(C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001425438083 1002080730 /nfs/dbraw/zinc/08/07/30/1002080730.db2.gz RKGSPNADSBTTRC-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001425502449 1002138334 /nfs/dbraw/zinc/13/83/34/1002138334.db2.gz ZHTDZOOAXQPDPQ-CABCVRRESA-N 1 3 322.453 -0.099 20 0 DBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001425569181 1002199124 /nfs/dbraw/zinc/19/91/24/1002199124.db2.gz ZAMGBRGNSIQNSG-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCN(C)C1=O ZINC001425682710 1002282677 /nfs/dbraw/zinc/28/26/77/1002282677.db2.gz PJGIJQRJNANFEF-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001426029897 1002628997 /nfs/dbraw/zinc/62/89/97/1002628997.db2.gz KDNBRCZLLKLZGS-GFCCVEGCSA-N 1 3 322.413 -0.882 20 0 DBADHO CN(C[C@@H](O)C[NH2+]CC1CCOCC1)C(=O)Cc1c[nH]cn1 ZINC001426037251 1002635747 /nfs/dbraw/zinc/63/57/47/1002635747.db2.gz RIJSDHGUDHWVSO-AWEZNQCLSA-N 1 3 310.398 -0.212 20 0 DBADHO CN(C[C@H](O)C[NH2+]CC1CCOCC1)C(=O)Cc1c[nH]cn1 ZINC001426037252 1002636242 /nfs/dbraw/zinc/63/62/42/1002636242.db2.gz RIJSDHGUDHWVSO-CQSZACIVSA-N 1 3 310.398 -0.212 20 0 DBADHO Cc1ncc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001426039284 1002637309 /nfs/dbraw/zinc/63/73/09/1002637309.db2.gz ODUVWPOQKIDUDW-GJZGRUSLSA-N 1 3 321.425 -0.354 20 0 DBADHO Cc1ncc(CNC[C@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001426039284 1002637315 /nfs/dbraw/zinc/63/73/15/1002637315.db2.gz ODUVWPOQKIDUDW-GJZGRUSLSA-N 1 3 321.425 -0.354 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO)CCC1 ZINC001426061451 1002653495 /nfs/dbraw/zinc/65/34/95/1002653495.db2.gz AVMSANXERPHGBR-ZDUSSCGKSA-N 1 3 301.431 -0.396 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)CCC1 ZINC001426061451 1002653504 /nfs/dbraw/zinc/65/35/04/1002653504.db2.gz AVMSANXERPHGBR-ZDUSSCGKSA-N 1 3 301.431 -0.396 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001436364285 1002687330 /nfs/dbraw/zinc/68/73/30/1002687330.db2.gz JCINPZULOVDEIO-CRWXNKLISA-N 1 3 310.442 -0.055 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415234739 1002767150 /nfs/dbraw/zinc/76/71/50/1002767150.db2.gz ZPGHSZIRGNLEGG-ZYHUDNBSSA-N 1 3 307.398 -0.167 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415234739 1002767166 /nfs/dbraw/zinc/76/71/66/1002767166.db2.gz ZPGHSZIRGNLEGG-ZYHUDNBSSA-N 1 3 307.398 -0.167 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001436793452 1002805279 /nfs/dbraw/zinc/80/52/79/1002805279.db2.gz VRQNOUCVMOZYQL-BNOWGMLFSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H](NCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001436793452 1002805282 /nfs/dbraw/zinc/80/52/82/1002805282.db2.gz VRQNOUCVMOZYQL-BNOWGMLFSA-N 1 3 310.442 -0.101 20 0 DBADHO CN(C(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C1CC1 ZINC001436864459 1002815553 /nfs/dbraw/zinc/81/55/53/1002815553.db2.gz JZXILUSVJPKEBP-JSGCOSHPSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001436894710 1002820778 /nfs/dbraw/zinc/82/07/78/1002820778.db2.gz KAQCQKBZKBGYCZ-JHJVBQTASA-N 1 3 308.426 -0.062 20 0 DBADHO CC(C)NC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001437317073 1002926897 /nfs/dbraw/zinc/92/68/97/1002926897.db2.gz YYJJQTSVLUJWRZ-LBPRGKRZSA-N 1 3 307.398 -0.085 20 0 DBADHO CN(CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001416012825 1003091335 /nfs/dbraw/zinc/09/13/35/1003091335.db2.gz UJOSHBYMFDLFRI-GFCCVEGCSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001416012825 1003091352 /nfs/dbraw/zinc/09/13/52/1003091352.db2.gz UJOSHBYMFDLFRI-GFCCVEGCSA-N 1 3 308.426 -0.251 20 0 DBADHO CCN1CC[C@@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001437721914 1003166957 /nfs/dbraw/zinc/16/69/57/1003166957.db2.gz LPHDAALRIAERLB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001437994407 1003313812 /nfs/dbraw/zinc/31/38/12/1003313812.db2.gz SQIIEOMLPSKMFE-STQMWFEESA-N 1 3 310.442 -0.018 20 0 DBADHO CN(CC(N)=O)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001437998200 1003318369 /nfs/dbraw/zinc/31/83/69/1003318369.db2.gz JWZHGBYXCHJGHD-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO CN(CC(N)=O)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001437998200 1003318379 /nfs/dbraw/zinc/31/83/79/1003318379.db2.gz JWZHGBYXCHJGHD-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438303101 1003413736 /nfs/dbraw/zinc/41/37/36/1003413736.db2.gz LDXNYKLOIBOZPK-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438992327 1003822524 /nfs/dbraw/zinc/82/25/24/1003822524.db2.gz NNDYSWXIEQPLGZ-HIFRSBDPSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001438992327 1003822525 /nfs/dbraw/zinc/82/25/25/1003822525.db2.gz NNDYSWXIEQPLGZ-HIFRSBDPSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438992329 1003822633 /nfs/dbraw/zinc/82/26/33/1003822633.db2.gz NNDYSWXIEQPLGZ-ZFWWWQNUSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001438992329 1003822634 /nfs/dbraw/zinc/82/26/34/1003822634.db2.gz NNDYSWXIEQPLGZ-ZFWWWQNUSA-N 1 3 323.441 -0.139 20 0 DBADHO O=C(NC[C@H](O)CNCc1cncc(F)c1)C12CC[NH+](CC1)C2 ZINC001439047642 1003851180 /nfs/dbraw/zinc/85/11/80/1003851180.db2.gz MTSFWFXRZHZBDC-CQSZACIVSA-N 1 3 322.384 -0.117 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001439050517 1003854566 /nfs/dbraw/zinc/85/45/66/1003854566.db2.gz VTNBOHMOSCLMCJ-AWEZNQCLSA-N 1 3 321.425 -0.609 20 0 DBADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001417253286 1003855129 /nfs/dbraw/zinc/85/51/29/1003855129.db2.gz UBWCTQZQFMUZMM-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001417253286 1003855131 /nfs/dbraw/zinc/85/51/31/1003855131.db2.gz UBWCTQZQFMUZMM-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001439244884 1003890687 /nfs/dbraw/zinc/89/06/87/1003890687.db2.gz KRVUOUJFUJZCHF-JTQLQIEISA-N 1 3 313.402 -0.979 20 0 DBADHO CN1CC[C@H](NC[C@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)C1=O ZINC001439487914 1004013907 /nfs/dbraw/zinc/01/39/07/1004013907.db2.gz VUGNXTKWKMCTTF-KBPBESRZSA-N 1 3 320.437 -0.203 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001417764705 1004028529 /nfs/dbraw/zinc/02/85/29/1004028529.db2.gz PINVVQMAYAOTKS-MJBXVCDLSA-N 1 3 313.442 -0.038 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001417793503 1004042238 /nfs/dbraw/zinc/04/22/38/1004042238.db2.gz YJZJDRSMRCHFTE-ZQDZILKHSA-N 1 3 313.442 -0.180 20 0 DBADHO CN(C)C(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001418010382 1004161121 /nfs/dbraw/zinc/16/11/21/1004161121.db2.gz PHHTZDAMXDETGH-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418010382 1004161128 /nfs/dbraw/zinc/16/11/28/1004161128.db2.gz PHHTZDAMXDETGH-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001418061169 1004188371 /nfs/dbraw/zinc/18/83/71/1004188371.db2.gz IVRMPUXFLLLBLZ-YRGRVCCFSA-N 1 3 308.426 -0.014 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001440011619 1004192988 /nfs/dbraw/zinc/19/29/88/1004192988.db2.gz FEKSJUMNBFBFHQ-OAHLLOKOSA-N 1 3 324.429 -0.827 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001440011619 1004193000 /nfs/dbraw/zinc/19/30/00/1004193000.db2.gz FEKSJUMNBFBFHQ-OAHLLOKOSA-N 1 3 324.429 -0.827 20 0 DBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001418276750 1004311422 /nfs/dbraw/zinc/31/14/22/1004311422.db2.gz RTQOKNJCENYPRC-QWHCGFSZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)NCC(=O)N(C)C ZINC001418288901 1004318391 /nfs/dbraw/zinc/31/83/91/1004318391.db2.gz QPNSKFYTBYKMNC-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO C[C@H](CNC(=O)CCC[NH+]1CCCC1)NCC(=O)NC(N)=O ZINC001418312914 1004331000 /nfs/dbraw/zinc/33/10/00/1004331000.db2.gz KFCKQJGPTXZQEO-LLVKDONJSA-N 1 3 313.402 -0.848 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001418810815 1004660233 /nfs/dbraw/zinc/66/02/33/1004660233.db2.gz PDMDMSQZJBLCSX-STQMWFEESA-N 1 3 316.421 -0.055 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(=O)NC)C2CC2)CC[N@H+]1C ZINC001419250786 1004843147 /nfs/dbraw/zinc/84/31/47/1004843147.db2.gz LJRMMMKKYZFERS-BFHYXJOUSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](NCC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001419250786 1004843146 /nfs/dbraw/zinc/84/31/46/1004843146.db2.gz LJRMMMKKYZFERS-BFHYXJOUSA-N 1 3 310.442 -0.053 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)NCC2CC2)C2CC2)C1 ZINC001419305584 1004854942 /nfs/dbraw/zinc/85/49/42/1004854942.db2.gz GGLKGYMFCQDFAD-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)NCC2CC2)C2CC2)C1 ZINC001419305584 1004854945 /nfs/dbraw/zinc/85/49/45/1004854945.db2.gz GGLKGYMFCQDFAD-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001419765893 1004970853 /nfs/dbraw/zinc/97/08/53/1004970853.db2.gz MGLCYNMHASWAQT-GHMZBOCLSA-N 1 3 315.418 -0.654 20 0 DBADHO C[C@@H](N[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001419827752 1004990412 /nfs/dbraw/zinc/99/04/12/1004990412.db2.gz FPYRRNUTROJKEN-VHSXEESVSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCCS(C)(=O)=O ZINC001419845543 1004997432 /nfs/dbraw/zinc/99/74/32/1004997432.db2.gz XMFUQQVCJMZLIX-AVGNSLFASA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCCS(C)(=O)=O ZINC001419845543 1004997440 /nfs/dbraw/zinc/99/74/40/1004997440.db2.gz XMFUQQVCJMZLIX-AVGNSLFASA-N 1 3 319.471 -0.144 20 0 DBADHO Cc1nc(CN[C@@H](C)CNC(=O)COC2CC[NH+](C)CC2)n[nH]1 ZINC001419898080 1005011368 /nfs/dbraw/zinc/01/13/68/1005011368.db2.gz CHULNCKNANPOGM-NSHDSACASA-N 1 3 324.429 -0.182 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001419991948 1005043583 /nfs/dbraw/zinc/04/35/83/1005043583.db2.gz LKIOAELKUHXPKQ-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@H](O)Cn2cccn2)CCC1 ZINC001420243542 1005169151 /nfs/dbraw/zinc/16/91/51/1005169151.db2.gz JXNXAQIULIADTN-AWEZNQCLSA-N 1 3 323.441 -0.224 20 0 DBADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@H](O)Cn2cccn2)CCC1 ZINC001420243542 1005169168 /nfs/dbraw/zinc/16/91/68/1005169168.db2.gz JXNXAQIULIADTN-AWEZNQCLSA-N 1 3 323.441 -0.224 20 0 DBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420295183 1005193068 /nfs/dbraw/zinc/19/30/68/1005193068.db2.gz PNRLWPDGYZQBTG-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001420297940 1005194516 /nfs/dbraw/zinc/19/45/16/1005194516.db2.gz DKERNAFZMRZLHT-ZJUUUORDSA-N 1 3 313.402 -0.852 20 0 DBADHO CNC(=O)CNC[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001420432885 1005257649 /nfs/dbraw/zinc/25/76/49/1005257649.db2.gz OKOJUKXGPCAHRQ-GFCCVEGCSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001420455396 1005265836 /nfs/dbraw/zinc/26/58/36/1005265836.db2.gz BFNVRNVNKNLACG-DCAQKATOSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001420455396 1005265840 /nfs/dbraw/zinc/26/58/40/1005265840.db2.gz BFNVRNVNKNLACG-DCAQKATOSA-N 1 3 313.402 -0.994 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@H]1CCN(CCNC(=O)C2CC2)C1 ZINC001420543263 1005298792 /nfs/dbraw/zinc/29/87/92/1005298792.db2.gz XUQRXWYSQZIKOD-CYBMUJFWSA-N 1 3 310.442 -0.098 20 0 DBADHO O=C(CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1)NC1CC1 ZINC001440360323 1006074147 /nfs/dbraw/zinc/07/41/47/1006074147.db2.gz ZYMZFVCCEDVIQC-UHFFFAOYSA-N 1 3 320.437 -0.011 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001440369865 1006081255 /nfs/dbraw/zinc/08/12/55/1006081255.db2.gz JUAKZFRQAQEOEZ-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001440392998 1006096378 /nfs/dbraw/zinc/09/63/78/1006096378.db2.gz FPZFHOYMFCRVKU-KGLIPLIRSA-N 1 3 317.430 -0.849 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001440403081 1006102966 /nfs/dbraw/zinc/10/29/66/1006102966.db2.gz QTWCHCZFJQUYOU-OLZOCXBDSA-N 1 3 314.430 -0.722 20 0 DBADHO C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001440527842 1006177411 /nfs/dbraw/zinc/17/74/11/1006177411.db2.gz CSSGJAWRHQUEIY-HIFRSBDPSA-N 1 3 313.442 -0.253 20 0 DBADHO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001440527842 1006177413 /nfs/dbraw/zinc/17/74/13/1006177413.db2.gz CSSGJAWRHQUEIY-HIFRSBDPSA-N 1 3 313.442 -0.253 20 0 DBADHO COC[C@@H](O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001440761053 1006298004 /nfs/dbraw/zinc/29/80/04/1006298004.db2.gz ZVPLNVXODRJVBC-RUXDESIVSA-N 1 3 313.442 -0.038 20 0 DBADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429259409 1006318529 /nfs/dbraw/zinc/31/85/29/1006318529.db2.gz FWJUENTVJPOFQT-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429259409 1006318544 /nfs/dbraw/zinc/31/85/44/1006318544.db2.gz FWJUENTVJPOFQT-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)NC(=O)CN[C@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001440819146 1006318458 /nfs/dbraw/zinc/31/84/58/1006318458.db2.gz MTNCFRMMMFVBBW-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001440848073 1006329402 /nfs/dbraw/zinc/32/94/02/1006329402.db2.gz WMOJHYHEDFKWGR-MNOVXSKESA-N 1 3 310.402 -0.974 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441013188 1006417737 /nfs/dbraw/zinc/41/77/37/1006417737.db2.gz PHFWOVMMDKGSIL-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441013188 1006417776 /nfs/dbraw/zinc/41/77/76/1006417776.db2.gz PHFWOVMMDKGSIL-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001429497384 1006446290 /nfs/dbraw/zinc/44/62/90/1006446290.db2.gz ZYGRVGCPRRKKHQ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001429497384 1006446302 /nfs/dbraw/zinc/44/63/02/1006446302.db2.gz ZYGRVGCPRRKKHQ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCNC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001441228178 1006528193 /nfs/dbraw/zinc/52/81/93/1006528193.db2.gz RROMSIPASYNOKT-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001441326020 1006584482 /nfs/dbraw/zinc/58/44/82/1006584482.db2.gz SMNDMGDTOVSCKZ-FQUUOJAGSA-N 1 3 308.426 -0.491 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001441326020 1006584493 /nfs/dbraw/zinc/58/44/93/1006584493.db2.gz SMNDMGDTOVSCKZ-FQUUOJAGSA-N 1 3 308.426 -0.491 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001441417951 1006637487 /nfs/dbraw/zinc/63/74/87/1006637487.db2.gz MWJRUQPSNIWDIS-XYPYZODXSA-N 1 3 313.402 -0.979 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](NCCS(C)(=O)=O)C1 ZINC001441415680 1006639681 /nfs/dbraw/zinc/63/96/81/1006639681.db2.gz JSYKSBXLNUXICH-HAQNSBGRSA-N 1 3 305.444 -0.390 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@H](NCCS(C)(=O)=O)C1 ZINC001441415680 1006639689 /nfs/dbraw/zinc/63/96/89/1006639689.db2.gz JSYKSBXLNUXICH-HAQNSBGRSA-N 1 3 305.444 -0.390 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001430392581 1006841520 /nfs/dbraw/zinc/84/15/20/1006841520.db2.gz SWLSVRLITBMIKT-VIKVFOODSA-N 1 3 310.442 -0.147 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001430401214 1006843554 /nfs/dbraw/zinc/84/35/54/1006843554.db2.gz UCNLJYRBJSKMSA-UHFFFAOYSA-N 1 3 322.453 -0.003 20 0 DBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001441819798 1006887473 /nfs/dbraw/zinc/88/74/73/1006887473.db2.gz FJSYMTHQJBDBRP-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC001441819788 1006887768 /nfs/dbraw/zinc/88/77/68/1006887768.db2.gz FJSYMTHQJBDBRP-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001441832698 1006893832 /nfs/dbraw/zinc/89/38/32/1006893832.db2.gz HEFHKHIRYSBBAI-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1C[C@@H](NCCS(C)(=O)=O)CN1C(=O)CC[NH+](C)C ZINC001441847878 1006900726 /nfs/dbraw/zinc/90/07/26/1006900726.db2.gz YTEHPSSCCHISQF-NWDGAFQWSA-N 1 3 305.444 -0.438 20 0 DBADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCCS(C)(=O)=O ZINC001441874927 1006926839 /nfs/dbraw/zinc/92/68/39/1006926839.db2.gz XZDPPLKMDZMLGV-OLZOCXBDSA-N 1 3 319.471 0.000 20 0 DBADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCCS(C)(=O)=O ZINC001441874927 1006926847 /nfs/dbraw/zinc/92/68/47/1006926847.db2.gz XZDPPLKMDZMLGV-OLZOCXBDSA-N 1 3 319.471 0.000 20 0 DBADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H](O)C[NH2+]CCCO)C1 ZINC001497053418 1017227026 /nfs/dbraw/zinc/22/70/26/1017227026.db2.gz IVVJNIRUQPPYKQ-IUODEOHRSA-N 1 3 319.421 -0.352 20 0 DBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NCC(F)(F)F ZINC001441941912 1006974069 /nfs/dbraw/zinc/97/40/69/1006974069.db2.gz REDAJBPMYVZKJV-SECBINFHSA-N 1 3 312.336 -0.289 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001430861550 1007054184 /nfs/dbraw/zinc/05/41/84/1007054184.db2.gz OOUNGZSXACBJPU-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001430861545 1007055470 /nfs/dbraw/zinc/05/54/70/1007055470.db2.gz OOUNGZSXACBJPU-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001442061703 1007162615 /nfs/dbraw/zinc/16/26/15/1007162615.db2.gz HPZOKKNGTDHDFU-ZDUSSCGKSA-N 1 3 314.430 -0.720 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001442174155 1007291433 /nfs/dbraw/zinc/29/14/33/1007291433.db2.gz JMCIWIHADUFMFC-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001432245930 1007866863 /nfs/dbraw/zinc/86/68/63/1007866863.db2.gz WEWBPODPRCXGGT-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001432245930 1007866868 /nfs/dbraw/zinc/86/68/68/1007866868.db2.gz WEWBPODPRCXGGT-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001432299188 1007884233 /nfs/dbraw/zinc/88/42/33/1007884233.db2.gz OCMUZCJYJOCFBH-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001432299188 1007884236 /nfs/dbraw/zinc/88/42/36/1007884236.db2.gz OCMUZCJYJOCFBH-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001432350981 1007897403 /nfs/dbraw/zinc/89/74/03/1007897403.db2.gz XYMLZQUWUBCCRV-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001432350981 1007897408 /nfs/dbraw/zinc/89/74/08/1007897408.db2.gz XYMLZQUWUBCCRV-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)CCC[NH+](C)C)C1 ZINC001432473417 1007948937 /nfs/dbraw/zinc/94/89/37/1007948937.db2.gz ZZVJZZNIMKUKMP-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444628136 1008199531 /nfs/dbraw/zinc/19/95/31/1008199531.db2.gz KFXMTUGILMMJFF-JTQLQIEISA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@H](C[NH2+]C[C@@H](O)Cn1cccn1)N(C)C(=O)Cc1c[nH]cn1 ZINC001444678971 1008218853 /nfs/dbraw/zinc/21/88/53/1008218853.db2.gz HATJRSHZVOPAES-GXTWGEPZSA-N 1 3 320.397 -0.354 20 0 DBADHO C[C@H](C[NH2+]C[C@H](O)Cn1cccn1)N(C)C(=O)Cc1c[nH]cn1 ZINC001444678979 1008219215 /nfs/dbraw/zinc/21/92/15/1008219215.db2.gz HATJRSHZVOPAES-OCCSQVGLSA-N 1 3 320.397 -0.354 20 0 DBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001444785154 1008244845 /nfs/dbraw/zinc/24/48/45/1008244845.db2.gz IJVCCGZZRNWISE-DGCLKSJQSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cncn2C)C1 ZINC001445254357 1008321986 /nfs/dbraw/zinc/32/19/86/1008321986.db2.gz ZIDYLAUNHLFYFR-JSGCOSHPSA-N 1 3 309.414 -0.671 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc(CN(C)C)c1 ZINC001445275956 1008357222 /nfs/dbraw/zinc/35/72/22/1008357222.db2.gz YXBFBDWAHJPJHC-CQSZACIVSA-N 1 3 322.409 -0.826 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C ZINC001445432342 1008375077 /nfs/dbraw/zinc/37/50/77/1008375077.db2.gz LUBHIFIAOSEBHV-VWYCJHECSA-N 1 3 315.418 -0.735 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C ZINC001445432341 1008375308 /nfs/dbraw/zinc/37/53/08/1008375308.db2.gz LUBHIFIAOSEBHV-MXWKQRLJSA-N 1 3 315.418 -0.735 20 0 DBADHO C[C@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445481079 1008380286 /nfs/dbraw/zinc/38/02/86/1008380286.db2.gz MOMZJXITQHYHLV-NEPJUHHUSA-N 1 3 308.426 -0.156 20 0 DBADHO CNC(=O)[C@H](C)NC[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001445614765 1008405466 /nfs/dbraw/zinc/40/54/66/1008405466.db2.gz JPSUPFVQESVCKC-RYUDHWBXSA-N 1 3 324.429 -0.713 20 0 DBADHO C[NH+](C)CC1(C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)CC1 ZINC001446237499 1008494982 /nfs/dbraw/zinc/49/49/82/1008494982.db2.gz VMJGJZOBJDILPR-GFCCVEGCSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H](NCCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001447064091 1008890381 /nfs/dbraw/zinc/89/03/81/1008890381.db2.gz MCTWAEIHEQKOMK-GFCCVEGCSA-N 1 3 314.430 -0.855 20 0 DBADHO CCNC(=O)CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001447280715 1009000071 /nfs/dbraw/zinc/00/00/71/1009000071.db2.gz NLZDQQFMMHVGCC-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCO[C@H](CN[C@@H]3CCNC3=O)C2)CC1 ZINC001447282033 1009002179 /nfs/dbraw/zinc/00/21/79/1009002179.db2.gz QYMQJUAMLXKVAD-CHWSQXEVSA-N 1 3 324.425 -0.966 20 0 DBADHO CNC(=O)CNC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001447289607 1009004658 /nfs/dbraw/zinc/00/46/58/1009004658.db2.gz SBJMQUNCAMZTCE-ZDUSSCGKSA-N 1 3 324.425 -0.822 20 0 DBADHO O=C(NC1(CO)CCN(CCO)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001447722192 1009259316 /nfs/dbraw/zinc/25/93/16/1009259316.db2.gz XNYHBKCBZWJWMX-CQSZACIVSA-N 1 3 311.426 -0.736 20 0 DBADHO O=C(NC1(CO)CCN(CCO)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001447722178 1009259508 /nfs/dbraw/zinc/25/95/08/1009259508.db2.gz XNYHBKCBZWJWMX-AWEZNQCLSA-N 1 3 311.426 -0.736 20 0 DBADHO CN(CC(=O)NC1CC(C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001447798832 1009318766 /nfs/dbraw/zinc/31/87/66/1009318766.db2.gz SUBJATCCFMNAMO-ORHYLEIMSA-N 1 3 308.426 -0.156 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001447908504 1009385229 /nfs/dbraw/zinc/38/52/29/1009385229.db2.gz BGWDPSJLOWQDLF-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO C[C@@H](NCC(=O)N1CCC1)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447920970 1009395737 /nfs/dbraw/zinc/39/57/37/1009395737.db2.gz ATIFSQKYIGXWPL-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](NCC(N)=O)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001448464175 1009792511 /nfs/dbraw/zinc/79/25/11/1009792511.db2.gz VLQSRNGYLWIGBZ-WCQYABFASA-N 1 3 312.414 -0.981 20 0 DBADHO CN(C(=O)CNC(=O)C(C)(C)C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448622613 1009829760 /nfs/dbraw/zinc/82/97/60/1009829760.db2.gz XBRPSDISQIDADX-NSHDSACASA-N 1 3 312.414 -0.539 20 0 DBADHO CN(C(=O)CN1CCCC1)[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001448621638 1009829834 /nfs/dbraw/zinc/82/98/34/1009829834.db2.gz WKIKEPZHSGEFJN-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C(=O)CCc1cncn1C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448623689 1009829917 /nfs/dbraw/zinc/82/99/17/1009829917.db2.gz YZGNKTPJZWJVNP-ZDUSSCGKSA-N 1 3 307.398 -0.335 20 0 DBADHO C[C@H](CCNC(=O)c1nnc[nH]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448624997 1009830905 /nfs/dbraw/zinc/83/09/05/1009830905.db2.gz YHOYRMFTAYIMAD-GHMZBOCLSA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1nnc[nH]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448624997 1009830920 /nfs/dbraw/zinc/83/09/20/1009830920.db2.gz YHOYRMFTAYIMAD-GHMZBOCLSA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1ncn[nH]1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448624997 1009830921 /nfs/dbraw/zinc/83/09/21/1009830921.db2.gz YHOYRMFTAYIMAD-GHMZBOCLSA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1ncn[nH]1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448624997 1009830922 /nfs/dbraw/zinc/83/09/22/1009830922.db2.gz YHOYRMFTAYIMAD-GHMZBOCLSA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1nc[nH]n1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448624997 1009830923 /nfs/dbraw/zinc/83/09/23/1009830923.db2.gz YHOYRMFTAYIMAD-GHMZBOCLSA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1nc[nH]n1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448624997 1009830924 /nfs/dbraw/zinc/83/09/24/1009830924.db2.gz YHOYRMFTAYIMAD-GHMZBOCLSA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@@H](CN(C)C(=O)C(F)F)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001448623838 1009831041 /nfs/dbraw/zinc/83/10/41/1009831041.db2.gz YFGRKCXCYGBQKO-IUCAKERBSA-N 1 3 322.356 -0.719 20 0 DBADHO C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)[C@H]1CCC(=O)N1 ZINC001448625612 1009831067 /nfs/dbraw/zinc/83/10/67/1009831067.db2.gz DRKFNFYUICURRE-VXGBXAGGSA-N 1 3 324.425 -0.382 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001448896871 1010034264 /nfs/dbraw/zinc/03/42/64/1010034264.db2.gz AOMDNNZYRLZQCQ-DZGCQCFKSA-N 1 3 313.442 -0.179 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCc2cnn(C)c2)C1 ZINC001448910369 1010049465 /nfs/dbraw/zinc/04/94/65/1010049465.db2.gz PXIMGHBAESSBNV-HIFRSBDPSA-N 1 3 323.441 -0.629 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCc2ccc(CO)cc2)C1 ZINC001448952314 1010107432 /nfs/dbraw/zinc/10/74/32/1010107432.db2.gz LEVRVUZLLWJYOZ-HOTGVXAUSA-N 1 3 321.421 -0.303 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCc2ccc(CO)cc2)C1 ZINC001448952314 1010107446 /nfs/dbraw/zinc/10/74/46/1010107446.db2.gz LEVRVUZLLWJYOZ-HOTGVXAUSA-N 1 3 321.421 -0.303 20 0 DBADHO C[C@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001448974352 1010132436 /nfs/dbraw/zinc/13/24/36/1010132436.db2.gz DACUIAOSUPHIKT-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCN1C ZINC001448982496 1010139549 /nfs/dbraw/zinc/13/95/49/1010139549.db2.gz CBCQVYVOWPQZNP-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CCNC(=O)CN[C@@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001448999286 1010155634 /nfs/dbraw/zinc/15/56/34/1010155634.db2.gz BLGYHPXDTOSWSI-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]([N@H+](CCO)CCCO)C1)N(C)C ZINC001479660420 1010330940 /nfs/dbraw/zinc/33/09/40/1010330940.db2.gz YTXIPOXAWXKMOV-GJZGRUSLSA-N 1 3 315.458 -0.006 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](CCO)CCCO)C1)N(C)C ZINC001479660420 1010330957 /nfs/dbraw/zinc/33/09/57/1010330957.db2.gz YTXIPOXAWXKMOV-GJZGRUSLSA-N 1 3 315.458 -0.006 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001449217740 1010382975 /nfs/dbraw/zinc/38/29/75/1010382975.db2.gz RIDPIFSAYHHQCZ-KGLIPLIRSA-N 1 3 301.431 -0.274 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001449217740 1010382987 /nfs/dbraw/zinc/38/29/87/1010382987.db2.gz RIDPIFSAYHHQCZ-KGLIPLIRSA-N 1 3 301.431 -0.274 20 0 DBADHO CN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001479812034 1010401516 /nfs/dbraw/zinc/40/15/16/1010401516.db2.gz FMRRFCOVTNFPKY-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001479812034 1010401522 /nfs/dbraw/zinc/40/15/22/1010401522.db2.gz FMRRFCOVTNFPKY-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001480046005 1010512286 /nfs/dbraw/zinc/51/22/86/1010512286.db2.gz CSYKIJPPHFNPHL-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001480158170 1010560360 /nfs/dbraw/zinc/56/03/60/1010560360.db2.gz KAIIJKZSNHZDOH-SRVKXCTJSA-N 1 3 320.459 -0.887 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001480158376 1010560744 /nfs/dbraw/zinc/56/07/44/1010560744.db2.gz NRWFCQLISZEQQJ-DCAQKATOSA-N 1 3 313.402 -0.981 20 0 DBADHO CN(C)C1(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001450633690 1010776322 /nfs/dbraw/zinc/77/63/22/1010776322.db2.gz LWOXPDOZEHXJBV-CQSZACIVSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C1(C(=O)NCC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001450633690 1010776326 /nfs/dbraw/zinc/77/63/26/1010776326.db2.gz LWOXPDOZEHXJBV-CQSZACIVSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@](CNCC(N)=O)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481932642 1011030138 /nfs/dbraw/zinc/03/01/38/1011030138.db2.gz ZDNVUCORPKGBJY-BBRMVZONSA-N 1 3 308.426 -0.312 20 0 DBADHO C[C@](CNCC(N)=O)(NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481932655 1011030772 /nfs/dbraw/zinc/03/07/72/1011030772.db2.gz ZDNVUCORPKGBJY-XJKSGUPXSA-N 1 3 308.426 -0.312 20 0 DBADHO CCNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001482323903 1011119196 /nfs/dbraw/zinc/11/91/96/1011119196.db2.gz ANGGVDNROGMGMA-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)CN1CCCC1 ZINC001482365249 1011129991 /nfs/dbraw/zinc/12/99/91/1011129991.db2.gz UCFNAUWWYIQQJX-NEPJUHHUSA-N 1 3 310.398 -0.676 20 0 DBADHO CN(CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001482649233 1011252122 /nfs/dbraw/zinc/25/21/22/1011252122.db2.gz JAYOIGTVZSPWOZ-CABCVRRESA-N 1 3 323.441 -0.414 20 0 DBADHO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001482649233 1011252140 /nfs/dbraw/zinc/25/21/40/1011252140.db2.gz JAYOIGTVZSPWOZ-CABCVRRESA-N 1 3 323.441 -0.414 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001482728482 1011339957 /nfs/dbraw/zinc/33/99/57/1011339957.db2.gz GRHFZFNEUCNBOV-STQMWFEESA-N 1 3 314.430 -0.986 20 0 DBADHO COCC[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001482729595 1011343214 /nfs/dbraw/zinc/34/32/14/1011343214.db2.gz OYQMLVUZDKZAEA-ZDUSSCGKSA-N 1 3 301.431 -0.036 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482792451 1011470913 /nfs/dbraw/zinc/47/09/13/1011470913.db2.gz ZCVVYLOPXNIIRM-TZMCWYRMSA-N 1 3 309.414 -0.753 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482792451 1011470926 /nfs/dbraw/zinc/47/09/26/1011470926.db2.gz ZCVVYLOPXNIIRM-TZMCWYRMSA-N 1 3 309.414 -0.753 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482963395 1011564207 /nfs/dbraw/zinc/56/42/07/1011564207.db2.gz KTYGEEZBXAZNQO-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482963395 1011564222 /nfs/dbraw/zinc/56/42/22/1011564222.db2.gz KTYGEEZBXAZNQO-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001453247425 1011578516 /nfs/dbraw/zinc/57/85/16/1011578516.db2.gz IDGKTYRXPAQXRG-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001483185418 1011772262 /nfs/dbraw/zinc/77/22/62/1011772262.db2.gz JMYIBIHJXDFIAC-NEPJUHHUSA-N 1 3 312.414 -0.382 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001483185418 1011772268 /nfs/dbraw/zinc/77/22/68/1011772268.db2.gz JMYIBIHJXDFIAC-NEPJUHHUSA-N 1 3 312.414 -0.382 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001483197352 1011786186 /nfs/dbraw/zinc/78/61/86/1011786186.db2.gz GZGDLYKUGFWACZ-GHMZBOCLSA-N 1 3 315.418 -0.735 20 0 DBADHO C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001483296208 1011831406 /nfs/dbraw/zinc/83/14/06/1011831406.db2.gz BBTHHFBPSZBJKH-QWHCGFSZSA-N 1 3 324.425 -0.238 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001454497710 1012011887 /nfs/dbraw/zinc/01/18/87/1012011887.db2.gz GGAVRBJOWQCPPL-VIKVFOODSA-N 1 3 310.442 -0.147 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001454511056 1012014224 /nfs/dbraw/zinc/01/42/24/1012014224.db2.gz CDGGDOXLRSKNHB-NYTXWWLZSA-N 1 3 322.453 -0.147 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001454511056 1012014251 /nfs/dbraw/zinc/01/42/51/1012014251.db2.gz CDGGDOXLRSKNHB-NYTXWWLZSA-N 1 3 322.453 -0.147 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001454508482 1012016068 /nfs/dbraw/zinc/01/60/68/1012016068.db2.gz CCUBPLGXVFYESM-SFDCQRBFSA-N 1 3 310.442 -0.149 20 0 DBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484012000 1012248737 /nfs/dbraw/zinc/24/87/37/1012248737.db2.gz NZWDFFVWJFBJKD-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484012000 1012248752 /nfs/dbraw/zinc/24/87/52/1012248752.db2.gz NZWDFFVWJFBJKD-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484346217 1012579932 /nfs/dbraw/zinc/57/99/32/1012579932.db2.gz ADMZROUXJMEARQ-RYUDHWBXSA-N 1 3 307.398 -0.085 20 0 DBADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001484513125 1012754384 /nfs/dbraw/zinc/75/43/84/1012754384.db2.gz MASOZJOZRORWTR-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CC1(C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001456569461 1012759439 /nfs/dbraw/zinc/75/94/39/1012759439.db2.gz GLOWJEMWAIXXNT-UHFFFAOYSA-N 1 3 319.409 -0.131 20 0 DBADHO CC[NH+]1CCC(N2CCC(C(=O)NC[C@@H](O)CO)CC2)CC1 ZINC001456721343 1012802468 /nfs/dbraw/zinc/80/24/68/1012802468.db2.gz NPIBEYQTVOKMAZ-OAHLLOKOSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001484684339 1012827548 /nfs/dbraw/zinc/82/75/48/1012827548.db2.gz CZXIXVTXNHKNKA-AVGNSLFASA-N 1 3 312.414 -0.981 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001484684339 1012827564 /nfs/dbraw/zinc/82/75/64/1012827564.db2.gz CZXIXVTXNHKNKA-AVGNSLFASA-N 1 3 312.414 -0.981 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001484687722 1012828408 /nfs/dbraw/zinc/82/84/08/1012828408.db2.gz NGSBTQNODBVZPH-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO Cn1cc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)cn1 ZINC001484688494 1012829572 /nfs/dbraw/zinc/82/95/72/1012829572.db2.gz WXCRARBKPKMEPY-AWEZNQCLSA-N 1 3 309.414 -0.311 20 0 DBADHO NC(=O)CNC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001484700723 1012836889 /nfs/dbraw/zinc/83/68/89/1012836889.db2.gz RFUOQRAKXZVWON-ZDUSSCGKSA-N 1 3 312.414 -0.835 20 0 DBADHO CO[C@@H](C)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001484959901 1012912297 /nfs/dbraw/zinc/91/22/97/1012912297.db2.gz OHGPGWCMWATKTB-LBPRGKRZSA-N 1 3 310.398 -0.070 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001485149336 1013021751 /nfs/dbraw/zinc/02/17/51/1013021751.db2.gz ZISUCGLHMFTOGT-NWDGAFQWSA-N 1 3 324.429 -0.713 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001496978981 1017160977 /nfs/dbraw/zinc/16/09/77/1017160977.db2.gz MPGRQWRNLMCIMZ-YUSALJHKSA-N 1 3 310.402 -0.980 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001496978981 1017160988 /nfs/dbraw/zinc/16/09/88/1017160988.db2.gz MPGRQWRNLMCIMZ-YUSALJHKSA-N 1 3 310.402 -0.980 20 0 DBADHO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001496995894 1017179220 /nfs/dbraw/zinc/17/92/20/1017179220.db2.gz MEXGFWZMNKCUMC-NWDGAFQWSA-N 1 3 314.430 -0.986 20 0 DBADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]CCn1cccn1)N1CCCC1 ZINC001497032029 1017210461 /nfs/dbraw/zinc/21/04/61/1017210461.db2.gz GYEBHFVVRQGJAJ-CQSZACIVSA-N 1 3 323.441 -0.176 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495751 1017396380 /nfs/dbraw/zinc/39/63/80/1017396380.db2.gz MROHBJUGKWPREX-NEPJUHHUSA-N 1 3 310.398 -0.819 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495751 1017396387 /nfs/dbraw/zinc/39/63/87/1017396387.db2.gz MROHBJUGKWPREX-NEPJUHHUSA-N 1 3 310.398 -0.819 20 0 DBADHO CC(C)[C@@H](C(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001497602791 1017440503 /nfs/dbraw/zinc/44/05/03/1017440503.db2.gz SBPNHSDPCWYSSX-LJXRPBPOSA-N 1 3 324.425 -0.360 20 0 DBADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001497602786 1017440806 /nfs/dbraw/zinc/44/08/06/1017440806.db2.gz SBPNHSDPCWYSSX-HPQNNBMJSA-N 1 3 324.425 -0.360 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCN2CCNC2=O)C1 ZINC001497681343 1017468101 /nfs/dbraw/zinc/46/81/01/1017468101.db2.gz QNTHJPXEGPDSME-PYLYLYNFSA-N 1 3 323.441 -0.385 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC/C=C/C[NH2+]CCN2CCNC2=O)C1 ZINC001497681339 1017468114 /nfs/dbraw/zinc/46/81/14/1017468114.db2.gz QNTHJPXEGPDSME-BAABZTOOSA-N 1 3 323.441 -0.385 20 0 DBADHO C[C@H](CNCC(=O)NC(=O)NC1CC1)NC(=O)CC[NH+](C)C ZINC001497899449 1017542217 /nfs/dbraw/zinc/54/22/17/1017542217.db2.gz KRVUOUJFUJZCHF-SNVBAGLBSA-N 1 3 313.402 -0.979 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H](C)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001497971699 1017560305 /nfs/dbraw/zinc/56/03/05/1017560305.db2.gz YYMLXFBBMJVATG-DGCLKSJQSA-N 1 3 320.397 -0.387 20 0 DBADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001498588661 1017832703 /nfs/dbraw/zinc/83/27/03/1017832703.db2.gz IKMQGLUCXMNHGT-CQSZACIVSA-N 1 3 310.442 -0.147 20 0 DBADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001498588661 1017832704 /nfs/dbraw/zinc/83/27/04/1017832704.db2.gz IKMQGLUCXMNHGT-CQSZACIVSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(CCC[NH2+]C[C@H](O)Cn1cccn1)C(=O)[C@H]1CCCN1C ZINC001498595282 1017833800 /nfs/dbraw/zinc/83/38/00/1017833800.db2.gz ZZTAUPAPCMWWMM-LSDHHAIUSA-N 1 3 323.441 -0.224 20 0 DBADHO CN1CCC[C@H](NC2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001499448124 1018105255 /nfs/dbraw/zinc/10/52/55/1018105255.db2.gz GBNRUVYQYUVRDT-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO CN1CCC[C@H](NC2(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001499448124 1018105260 /nfs/dbraw/zinc/10/52/60/1018105260.db2.gz GBNRUVYQYUVRDT-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001501506155 1018807665 /nfs/dbraw/zinc/80/76/65/1018807665.db2.gz NIYUJBRMJNEROP-UHFFFAOYSA-N 1 3 321.425 -0.574 20 0 DBADHO COCCN1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001505391455 1019283620 /nfs/dbraw/zinc/28/36/20/1019283620.db2.gz XLNAOEAEWLDFKD-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO COCCN1CCC(CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001505391455 1019283634 /nfs/dbraw/zinc/28/36/34/1019283634.db2.gz XLNAOEAEWLDFKD-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505726301 1019476621 /nfs/dbraw/zinc/47/66/21/1019476621.db2.gz IAPLJWVYZXMSQB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001505726301 1019476633 /nfs/dbraw/zinc/47/66/33/1019476633.db2.gz IAPLJWVYZXMSQB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]2CCN2C(=O)CC[NH+](C)C)C1 ZINC001505890799 1019571986 /nfs/dbraw/zinc/57/19/86/1019571986.db2.gz YDCHPJRDYOUCEP-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC001575961794 1019777100 /nfs/dbraw/zinc/77/71/00/1019777100.db2.gz ILMCGVMMOYJCSP-ZBFHGGJFSA-N 1 3 312.458 -0.116 20 0 DBADHO C[C@@H](C(=O)N(C)C)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001506806571 1019940810 /nfs/dbraw/zinc/94/08/10/1019940810.db2.gz SQWOVVHSYRMSFB-XDQVBPFNSA-N 1 3 310.442 -0.291 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001506886022 1019984136 /nfs/dbraw/zinc/98/41/36/1019984136.db2.gz FDMNQFJMMVVEAH-AVGNSLFASA-N 1 3 308.426 -0.156 20 0 DBADHO CN(CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCCOC1)C1CCC1 ZINC001507206327 1020184341 /nfs/dbraw/zinc/18/43/41/1020184341.db2.gz BVTVGYHTILZEOG-UONOGXRCSA-N 1 3 313.442 -0.036 20 0 DBADHO CCOC(=O)c1nnc(C2CC[NH+](C[C@@H](O)CC[NH3+])CC2)[n-]1 ZINC001578065467 1020186283 /nfs/dbraw/zinc/18/62/83/1020186283.db2.gz BJHOSRKFXNCCDT-NSHDSACASA-N 1 3 311.386 -0.130 20 0 DBADHO CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@@H](O)CC[NH3+])CC2)n1 ZINC001578065467 1020186296 /nfs/dbraw/zinc/18/62/96/1020186296.db2.gz BJHOSRKFXNCCDT-NSHDSACASA-N 1 3 311.386 -0.130 20 0 DBADHO CC(C)(C(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCOC1)N1CCCC1 ZINC001507227092 1020211696 /nfs/dbraw/zinc/21/16/96/1020211696.db2.gz VOJZOQMTWLJYFO-UONOGXRCSA-N 1 3 313.442 -0.036 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001578397530 1020229526 /nfs/dbraw/zinc/22/95/26/1020229526.db2.gz QASNNDWBFZAPOX-XGUBFFRZSA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC001578418641 1020235874 /nfs/dbraw/zinc/23/58/74/1020235874.db2.gz MUQNBSXGLFPNQD-GBJTYRQASA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1=O ZINC001578418391 1020236232 /nfs/dbraw/zinc/23/62/32/1020236232.db2.gz KRKDBUNOPYDMJC-CHWSQXEVSA-N 1 3 311.430 -0.328 20 0 DBADHO CN(CCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])CCOCCO ZINC001578473874 1020246380 /nfs/dbraw/zinc/24/63/80/1020246380.db2.gz SRRQFTADOMQJNN-DZGCQCFKSA-N 1 3 301.431 -0.049 20 0 DBADHO CN(CCN1CCOC(C)(C)C1)C[C@@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578471261 1020245767 /nfs/dbraw/zinc/24/57/67/1020245767.db2.gz BUZLFSPMMOUOOY-ZDUSSCGKSA-N 1 3 311.426 -0.066 20 0 DBADHO C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)N3CCNCC3)C2)CC1 ZINC001578523263 1020255221 /nfs/dbraw/zinc/25/52/21/1020255221.db2.gz JNLQZZKAAUQVAP-CQSZACIVSA-N 1 3 316.471 -0.200 20 0 DBADHO CN1CCC(N(CCO)C(=O)C2=NO[C@]3(CC[NH2+]C3)C2)CC1 ZINC001578524844 1020256479 /nfs/dbraw/zinc/25/64/79/1020256479.db2.gz KHBVQVABOKCMOH-OAHLLOKOSA-N 1 3 310.398 -0.590 20 0 DBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001578538777 1020263916 /nfs/dbraw/zinc/26/39/16/1020263916.db2.gz SBLPLMDQOFLIKA-GJZGRUSLSA-N 1 3 310.442 -0.350 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC001578810075 1020307281 /nfs/dbraw/zinc/30/72/81/1020307281.db2.gz ZKRGWCQTFKGKJZ-VXGBXAGGSA-N 1 3 301.387 -0.770 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001507443592 1020326503 /nfs/dbraw/zinc/32/65/03/1020326503.db2.gz QDBYGIHJIBXVSG-CYBMUJFWSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507544356 1020422308 /nfs/dbraw/zinc/42/23/08/1020422308.db2.gz YPSKJTZNLJSVJW-DZGCQCFKSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001507544356 1020422322 /nfs/dbraw/zinc/42/23/22/1020422322.db2.gz YPSKJTZNLJSVJW-DZGCQCFKSA-N 1 3 323.441 -0.329 20 0 DBADHO CS[C@H]1CN(C(=O)C2(C3(O)C[NH2+]C3)CCC2)C[C@H]1N(C)C ZINC001579369508 1020434781 /nfs/dbraw/zinc/43/47/81/1020434781.db2.gz COBRGHJFZVFLAM-NEPJUHHUSA-N 1 3 313.467 -0.005 20 0 DBADHO [NH3+]C1(CCNC[C@@]2(CO)COC[C@@H]3CCCN32)CCOCC1 ZINC001580145209 1020657705 /nfs/dbraw/zinc/65/77/05/1020657705.db2.gz SXPCHDXPLMHEEB-GOEBONIOSA-N 1 3 313.442 -0.300 20 0 DBADHO [NH3+]CCCOCCNC(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001580299437 1020686035 /nfs/dbraw/zinc/68/60/35/1020686035.db2.gz OSTSSGJJIGZAJB-CQSZACIVSA-N 1 3 314.430 -0.096 20 0 DBADHO O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1[nH]nc2c1CNCC2 ZINC001580703182 1020789962 /nfs/dbraw/zinc/78/99/62/1020789962.db2.gz OTSNNWMEDZCHNL-LLVKDONJSA-N 1 3 307.398 -0.368 20 0 DBADHO O=C1C[C@@H](NCc2ccccc2-n2cncn2)CN1C1C[NH2+]C1 ZINC001580838289 1020802647 /nfs/dbraw/zinc/80/26/47/1020802647.db2.gz PXTSUCJPQHJJSC-CYBMUJFWSA-N 1 3 312.377 -0.070 20 0 DBADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001524670698 1022335195 /nfs/dbraw/zinc/33/51/95/1022335195.db2.gz PKNXRRALGQOYJX-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001524670698 1022335213 /nfs/dbraw/zinc/33/52/13/1022335213.db2.gz PKNXRRALGQOYJX-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC001566574956 1024256025 /nfs/dbraw/zinc/25/60/25/1024256025.db2.gz PAAYFWCHYUJDMK-CHWSQXEVSA-N 1 3 324.425 -0.429 20 0 DBADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC001566574956 1024256042 /nfs/dbraw/zinc/25/60/42/1024256042.db2.gz PAAYFWCHYUJDMK-CHWSQXEVSA-N 1 3 324.425 -0.429 20 0 DBADHO CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN1C ZINC001567475136 1024717859 /nfs/dbraw/zinc/71/78/59/1024717859.db2.gz CHDNELMADBCDRQ-STQMWFEESA-N 1 3 317.455 -0.437 20 0 DBADHO CN(CCNCCS(C)(=O)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567511174 1024753207 /nfs/dbraw/zinc/75/32/07/1024753207.db2.gz PUGXVKBGUNVVHU-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO CN(CCNCCS(C)(=O)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001567511174 1024753232 /nfs/dbraw/zinc/75/32/32/1024753232.db2.gz PUGXVKBGUNVVHU-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CN(C)C1CCC1 ZINC001568997253 1025108602 /nfs/dbraw/zinc/10/86/02/1025108602.db2.gz NQAVDQXMDSULMK-ZYHUDNBSSA-N 1 3 310.398 -0.630 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001569080946 1025135912 /nfs/dbraw/zinc/13/59/12/1025135912.db2.gz ATPQJVKASJNNGY-STQMWFEESA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)N2CCC2)C1 ZINC001569239392 1025182871 /nfs/dbraw/zinc/18/28/71/1025182871.db2.gz AYYSSUOZFVVCNZ-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO O=C(NCC1(N[C@@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001569426037 1025247588 /nfs/dbraw/zinc/24/75/88/1025247588.db2.gz COYLUWJPSKOMQR-LLVKDONJSA-N 1 3 320.393 -0.874 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001569564829 1025278438 /nfs/dbraw/zinc/27/84/38/1025278438.db2.gz KZZMUGRBPLPGAP-STQMWFEESA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001569564829 1025278455 /nfs/dbraw/zinc/27/84/55/1025278455.db2.gz KZZMUGRBPLPGAP-STQMWFEESA-N 1 3 317.455 -0.437 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CCn2cccn2)C1 ZINC001571590627 1026100302 /nfs/dbraw/zinc/10/03/02/1026100302.db2.gz XSKYMUKTZSFKLG-LSDHHAIUSA-N 1 3 323.441 -0.366 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]CCn2cccn2)C1 ZINC001571590626 1026102458 /nfs/dbraw/zinc/10/24/58/1026102458.db2.gz XSKYMUKTZSFKLG-HUUCEWRRSA-N 1 3 323.441 -0.366 20 0 DBADHO C[C@H]1CN(C(=O)[C@H](N)CCC(N)=O)CCN1c1cc[nH+]cc1 ZINC001573649866 1026607205 /nfs/dbraw/zinc/60/72/05/1026607205.db2.gz SJENSTIXAZHWSJ-WCQYABFASA-N 1 3 305.382 -0.289 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC001573957652 1026675575 /nfs/dbraw/zinc/67/55/75/1026675575.db2.gz WOXWTGCNEWKKQV-SLEUVZQESA-N 1 3 312.414 -0.668 20 0 DBADHO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CN2CCC1CC2 ZINC001574057105 1026696773 /nfs/dbraw/zinc/69/67/73/1026696773.db2.gz HAIAHXRHYCGHFU-NEPJUHHUSA-N 1 3 303.428 -0.794 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000340827045 138100180 /nfs/dbraw/zinc/10/01/80/138100180.db2.gz PIOAVSUCYQSEAD-KBPBESRZSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000340827045 138100182 /nfs/dbraw/zinc/10/01/82/138100182.db2.gz PIOAVSUCYQSEAD-KBPBESRZSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000372106066 138165374 /nfs/dbraw/zinc/16/53/74/138165374.db2.gz UWUIFIWGBMTNLM-OAHLLOKOSA-N 1 3 314.405 -0.299 20 0 DBADHO C[C@H]1C[N@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)CCCO1 ZINC000372936307 138169888 /nfs/dbraw/zinc/16/98/88/138169888.db2.gz VYYFTAUFKSORHZ-HOTGVXAUSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@H]1C[N@@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)CCCO1 ZINC000372936307 138169889 /nfs/dbraw/zinc/16/98/89/138169889.db2.gz VYYFTAUFKSORHZ-HOTGVXAUSA-N 1 3 324.469 -0.007 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]C[C@H]1O)NC[C@@H]1NCCc2ccccc21 ZINC000418644501 237374702 /nfs/dbraw/zinc/37/47/02/237374702.db2.gz VJYMAAWYMOMCRQ-AEGPPILISA-N 1 3 304.394 -0.247 20 0 DBADHO CCn1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000130586350 283571236 /nfs/dbraw/zinc/57/12/36/283571236.db2.gz QJTGVTCRJMQBCD-UHFFFAOYSA-N 1 3 324.429 -0.207 20 0 DBADHO O=C(COC1CNC1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563038221 284020008 /nfs/dbraw/zinc/02/00/08/284020008.db2.gz KHPYXVFDMMQDED-GXTWGEPZSA-N 1 3 324.425 -0.918 20 0 DBADHO CC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000563450715 284040607 /nfs/dbraw/zinc/04/06/07/284040607.db2.gz HBOSVNHNCZRTGG-CHWSQXEVSA-N 1 3 309.414 -0.576 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1=CC[N@H+](C)CC1 ZINC000563457887 284041180 /nfs/dbraw/zinc/04/11/80/284041180.db2.gz PNHFWRDNJUCKMJ-UBHSHLNASA-N 1 3 321.425 -0.410 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000563457887 284041185 /nfs/dbraw/zinc/04/11/85/284041185.db2.gz PNHFWRDNJUCKMJ-UBHSHLNASA-N 1 3 321.425 -0.410 20 0 DBADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563548181 284042771 /nfs/dbraw/zinc/04/27/71/284042771.db2.gz ABVFFAORJWKBFY-RWMBFGLXSA-N 1 3 311.430 -0.330 20 0 DBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563548181 284042773 /nfs/dbraw/zinc/04/27/73/284042773.db2.gz ABVFFAORJWKBFY-RWMBFGLXSA-N 1 3 311.430 -0.330 20 0 DBADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000564740495 284066114 /nfs/dbraw/zinc/06/61/14/284066114.db2.gz OHQUOWNCWMTYRJ-MGPQQGTHSA-N 1 3 323.441 -0.328 20 0 DBADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000564740495 284066115 /nfs/dbraw/zinc/06/61/15/284066115.db2.gz OHQUOWNCWMTYRJ-MGPQQGTHSA-N 1 3 323.441 -0.328 20 0 DBADHO CC(C)N1CCN([C@H]2CCN(C(=O)CCOC3C[NH2+]C3)C2)CC1 ZINC000564933532 284072846 /nfs/dbraw/zinc/07/28/46/284072846.db2.gz BOWPOAMOZQNYSS-HNNXBMFYSA-N 1 3 324.469 -0.008 20 0 DBADHO COCCN(CCN(C)C)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000564994039 284077235 /nfs/dbraw/zinc/07/72/35/284077235.db2.gz IUKLEHBEFCIDNY-UHFFFAOYSA-N 1 3 324.429 -0.147 20 0 DBADHO COCC1(CNC(=O)CNC(=O)[C@@H](N)C(C)C)CC[NH2+]CC1 ZINC000564994798 284077585 /nfs/dbraw/zinc/07/75/85/284077585.db2.gz JIJOSFPYSAPATC-ZDUSSCGKSA-N 1 3 314.430 -0.782 20 0 DBADHO NC[C@H]1c2ccccc2CCN1C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000565001697 284077796 /nfs/dbraw/zinc/07/77/96/284077796.db2.gz MVDHPHMAYWNEGL-GJZGRUSLSA-N 1 3 316.405 -0.061 20 0 DBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000564953806 284074348 /nfs/dbraw/zinc/07/43/48/284074348.db2.gz HBWUOFXYEOHCNO-HUUCEWRRSA-N 1 3 310.442 -0.350 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3)CCN2C1=O ZINC000565253312 284091121 /nfs/dbraw/zinc/09/11/21/284091121.db2.gz ILQYZKICKCMBQL-KBPBESRZSA-N 1 3 317.393 -0.401 20 0 DBADHO CCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565256184 284091556 /nfs/dbraw/zinc/09/15/56/284091556.db2.gz YOJLRBHQEUPBLL-OLZOCXBDSA-N 1 3 311.430 -0.328 20 0 DBADHO CCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000565256184 284091558 /nfs/dbraw/zinc/09/15/58/284091558.db2.gz YOJLRBHQEUPBLL-OLZOCXBDSA-N 1 3 311.430 -0.328 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000565423007 284095279 /nfs/dbraw/zinc/09/52/79/284095279.db2.gz YVUMKCIOYCXRJP-VXGBXAGGSA-N 1 3 314.430 -0.545 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643542796 374255855 /nfs/dbraw/zinc/25/58/55/374255855.db2.gz CVWJYXUMBKWCRD-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643544120 374260384 /nfs/dbraw/zinc/26/03/84/374260384.db2.gz MFPXRMNZVANUDR-TZMCWYRMSA-N 1 3 308.426 -0.251 20 0 DBADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3CN)C2)C1 ZINC000643571203 374280009 /nfs/dbraw/zinc/28/00/09/374280009.db2.gz RFZCMRXKKYQOJR-BBRMVZONSA-N 1 3 308.426 -0.120 20 0 DBADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3CN)C2)C1 ZINC000643571203 374280019 /nfs/dbraw/zinc/28/00/19/374280019.db2.gz RFZCMRXKKYQOJR-BBRMVZONSA-N 1 3 308.426 -0.120 20 0 DBADHO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)C2)C1 ZINC000643571204 374280040 /nfs/dbraw/zinc/28/00/40/374280040.db2.gz RFZCMRXKKYQOJR-CJNGLKHVSA-N 1 3 308.426 -0.120 20 0 DBADHO C[N@H+]1CC[C@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)C2)C1 ZINC000643571204 374280046 /nfs/dbraw/zinc/28/00/46/374280046.db2.gz RFZCMRXKKYQOJR-CJNGLKHVSA-N 1 3 308.426 -0.120 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1N(C)C ZINC000643591534 374289675 /nfs/dbraw/zinc/28/96/75/374289675.db2.gz GHAWMAXFNKOWIM-MQYQWHSLSA-N 1 3 308.426 -0.252 20 0 DBADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000643591567 374290595 /nfs/dbraw/zinc/29/05/95/374290595.db2.gz MUNHZTCGDYTAFY-XJFOESAGSA-N 1 3 308.426 -0.123 20 0 DBADHO C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H]1C[NH3+] ZINC000643593540 374296514 /nfs/dbraw/zinc/29/65/14/374296514.db2.gz AWZYPAPHPGZMEA-IGQOVBAYSA-N 1 3 308.426 -0.408 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000237888696 374438857 /nfs/dbraw/zinc/43/88/57/374438857.db2.gz OIZBOQUGBRRXNN-OLZOCXBDSA-N 1 3 312.414 -0.932 20 0 DBADHO C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N(C)C ZINC000530755737 374439323 /nfs/dbraw/zinc/43/93/23/374439323.db2.gz ZQJANMMFPVSDGP-GFCCVEGCSA-N 1 3 301.435 -0.402 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N(C)C1CC1 ZINC000642773275 374512217 /nfs/dbraw/zinc/51/22/17/374512217.db2.gz IAAZVVYBCKYPLA-DYEKYZERSA-N 1 3 308.426 -0.204 20 0 DBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642786040 374574080 /nfs/dbraw/zinc/57/40/80/374574080.db2.gz YMTZBLWEXZQUNL-KBPBESRZSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000642786045 374574163 /nfs/dbraw/zinc/57/41/63/374574163.db2.gz ZCKRPPHVOBOLKQ-MCIONIFRSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000642786011 374574598 /nfs/dbraw/zinc/57/45/98/374574598.db2.gz WVQKPXPXBIBPBS-KFWWJZLASA-N 1 3 320.437 -0.203 20 0 DBADHO Nc1nc(N)nc(NCC2CC[NH+](C3CCOCC3)CC2)n1 ZINC000624384987 374632563 /nfs/dbraw/zinc/63/25/63/374632563.db2.gz MXEBFOYQNSYWLJ-UHFFFAOYSA-N 1 3 307.402 -0.578 20 0 DBADHO CC[NH+](CC)CCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568648037 374608444 /nfs/dbraw/zinc/60/84/44/374608444.db2.gz BRNAPVYXDDXWLK-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO CC1CCN(C[C@@H](O)CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000584229597 374646648 /nfs/dbraw/zinc/64/66/48/374646648.db2.gz DKEPUEAOMOUTPA-ZDUSSCGKSA-N 1 3 324.429 -0.551 20 0 DBADHO C[NH2+]CC1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000237338060 374994388 /nfs/dbraw/zinc/99/43/88/374994388.db2.gz NODDVESFLAGADD-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO COCC[N@H+](C)CCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077776837 375014912 /nfs/dbraw/zinc/01/49/12/375014912.db2.gz RREKGTVIGOKDDY-UHFFFAOYSA-N 1 3 316.446 -0.289 20 0 DBADHO COCC[N@@H+](C)CCCNC(=O)NCC1(O)CCN(C)CC1 ZINC000077776837 375014918 /nfs/dbraw/zinc/01/49/18/375014918.db2.gz RREKGTVIGOKDDY-UHFFFAOYSA-N 1 3 316.446 -0.289 20 0 DBADHO CC[NH+]1CCC(NC(=O)CN[C@@](C)(CCO)COC)CC1 ZINC000085981226 375163147 /nfs/dbraw/zinc/16/31/47/375163147.db2.gz DCOOXXYHFHQRPL-HNNXBMFYSA-N 1 3 301.431 -0.036 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642952024 375220481 /nfs/dbraw/zinc/22/04/81/375220481.db2.gz JOFFWOGUYXWNKM-LBPRGKRZSA-N 1 3 305.382 -0.416 20 0 DBADHO CN1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)[C@H](CN)C1 ZINC000569720812 375306482 /nfs/dbraw/zinc/30/64/82/375306482.db2.gz LEBXDZVJKLNDJP-ZIAGYGMSSA-N 1 3 306.414 -0.478 20 0 DBADHO C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635741138 375263144 /nfs/dbraw/zinc/26/31/44/375263144.db2.gz ZODOUUDJUPOFNM-GJZGRUSLSA-N 1 3 311.426 -0.235 20 0 DBADHO C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000635741138 375263146 /nfs/dbraw/zinc/26/31/46/375263146.db2.gz ZODOUUDJUPOFNM-GJZGRUSLSA-N 1 3 311.426 -0.235 20 0 DBADHO CCOC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000570837700 375395431 /nfs/dbraw/zinc/39/54/31/375395431.db2.gz XOLWODUEKYSMQP-HNNXBMFYSA-N 1 3 315.458 -0.230 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1CCCC1=O ZINC000570402126 375360438 /nfs/dbraw/zinc/36/04/38/375360438.db2.gz MQHGFRNSPVRCMJ-UHFFFAOYSA-N 1 3 313.446 -0.256 20 0 DBADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000642961782 375470187 /nfs/dbraw/zinc/47/01/87/375470187.db2.gz WOKAZBNQKRHKFP-MGPQQGTHSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000642961782 375470193 /nfs/dbraw/zinc/47/01/93/375470193.db2.gz WOKAZBNQKRHKFP-MGPQQGTHSA-N 1 3 308.426 -0.217 20 0 DBADHO COCCNCCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000642991143 375472597 /nfs/dbraw/zinc/47/25/97/375472597.db2.gz DGHCUPNYXZWYGM-CYBMUJFWSA-N 1 3 314.430 -0.672 20 0 DBADHO COCC1(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC[NH2+]CC1 ZINC000318824564 375564161 /nfs/dbraw/zinc/56/41/61/375564161.db2.gz FQNNTFGLVARLBV-ZIAGYGMSSA-N 1 3 311.426 -0.018 20 0 DBADHO COCC1(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000318824561 375564297 /nfs/dbraw/zinc/56/42/97/375564297.db2.gz FQNNTFGLVARLBV-KBPBESRZSA-N 1 3 311.426 -0.018 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364644272 375654899 /nfs/dbraw/zinc/65/48/99/375654899.db2.gz ZSDXQAKDHAKZKV-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000591458484 375715578 /nfs/dbraw/zinc/71/55/78/375715578.db2.gz DPKVSAHYKLSMNH-CQSZACIVSA-N 1 3 310.442 -0.049 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000591458484 375715584 /nfs/dbraw/zinc/71/55/84/375715584.db2.gz DPKVSAHYKLSMNH-CQSZACIVSA-N 1 3 310.442 -0.049 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000591459029 375715787 /nfs/dbraw/zinc/71/57/87/375715787.db2.gz WUJSQORFGUMMAO-AWEZNQCLSA-N 1 3 308.426 -0.295 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000591459029 375715794 /nfs/dbraw/zinc/71/57/94/375715794.db2.gz WUJSQORFGUMMAO-AWEZNQCLSA-N 1 3 308.426 -0.295 20 0 DBADHO COC(=O)c1cn([C@H]2CCCN(CCN3CC[NH2+]CC3)C2)nn1 ZINC000592495662 375806207 /nfs/dbraw/zinc/80/62/07/375806207.db2.gz PLHYXHZIIRMZII-ZDUSSCGKSA-N 1 3 322.413 -0.393 20 0 DBADHO COC(=O)C1CCN(CCCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000592560258 375814326 /nfs/dbraw/zinc/81/43/26/375814326.db2.gz IYZVTYUDNROZSK-WDNDVIMCSA-N 1 3 309.410 -0.157 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCN2C1=O ZINC000594879642 375965598 /nfs/dbraw/zinc/96/55/98/375965598.db2.gz DRWFFYYWLIBTMK-FQUUOJAGSA-N 1 3 306.410 -0.608 20 0 DBADHO C[C@H](CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000594874014 375967661 /nfs/dbraw/zinc/96/76/61/375967661.db2.gz ZNNPYBBPPQZFHJ-YIYPIFLZSA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@H](CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000594874015 375967795 /nfs/dbraw/zinc/96/77/95/375967795.db2.gz ZNNPYBBPPQZFHJ-ZOBORPQBSA-N 1 3 308.426 -0.217 20 0 DBADHO COC(=O)c1cn([C@@H]2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)nn1 ZINC000595894587 376042583 /nfs/dbraw/zinc/04/25/83/376042583.db2.gz XBIWQNOVQMQRCH-VXGBXAGGSA-N 1 3 321.381 -0.168 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCCCCC3)CCN2C1=O ZINC000595266522 375985075 /nfs/dbraw/zinc/98/50/75/375985075.db2.gz AIJMORDHAFGWCC-STQMWFEESA-N 1 3 323.441 -0.009 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595265817 375985794 /nfs/dbraw/zinc/98/57/94/375985794.db2.gz JECDKPGFVIVNCB-REWJHTLYSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595265817 375985797 /nfs/dbraw/zinc/98/57/97/375985797.db2.gz JECDKPGFVIVNCB-REWJHTLYSA-N 1 3 321.425 -0.433 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595997048 376066954 /nfs/dbraw/zinc/06/69/54/376066954.db2.gz KBTZMCQQJMCZCD-OLZOCXBDSA-N 1 3 315.414 -0.164 20 0 DBADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000636761812 376484378 /nfs/dbraw/zinc/48/43/78/376484378.db2.gz LZPDHGOIWSALGU-KGLIPLIRSA-N 1 3 314.430 -0.537 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C12CCC2)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000627380726 376590310 /nfs/dbraw/zinc/59/03/10/376590310.db2.gz XAFHXKNXBLSYQT-UONOGXRCSA-N 1 3 320.437 -0.012 20 0 DBADHO CN(C(=O)[C@@H]1CN(C)CCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365748834 376859604 /nfs/dbraw/zinc/85/96/04/376859604.db2.gz CMJSXZMCKPJCOY-HOTGVXAUSA-N 1 3 324.469 -0.056 20 0 DBADHO COCC[N@H+](C)CCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339637579 377049660 /nfs/dbraw/zinc/04/96/60/377049660.db2.gz LJWGUSCHFLCFPE-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO COCC[N@@H+](C)CCCNC(=O)C(=O)NC1CCN(C)CC1 ZINC000339637579 377049667 /nfs/dbraw/zinc/04/96/67/377049667.db2.gz LJWGUSCHFLCFPE-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO COC[C@H](O)C[N@H+]1CCC[C@@H](N(C)C[C@H](O)COC)CC1 ZINC000338940889 376998327 /nfs/dbraw/zinc/99/83/27/376998327.db2.gz YVFMTJRNAWQERU-QLFBSQMISA-N 1 3 304.431 -0.213 20 0 DBADHO COC[C@H](O)C[N@@H+]1CCC[C@@H](N(C)C[C@H](O)COC)CC1 ZINC000338940889 376998330 /nfs/dbraw/zinc/99/83/30/376998330.db2.gz YVFMTJRNAWQERU-QLFBSQMISA-N 1 3 304.431 -0.213 20 0 DBADHO C[NH+](C)C1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000571061667 377009291 /nfs/dbraw/zinc/00/92/91/377009291.db2.gz BUFICPVWLBEPII-HOAMVYINSA-N 1 3 323.441 -0.187 20 0 DBADHO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000534273446 377091240 /nfs/dbraw/zinc/09/12/40/377091240.db2.gz RYDURTAAMOUKHD-JKSUJKDBSA-N 1 3 324.469 -0.055 20 0 DBADHO CN(C)CCn1cc(C(=O)NCCCN2CC[NH2+]CC2)cn1 ZINC000637798965 377564269 /nfs/dbraw/zinc/56/42/69/377564269.db2.gz RMTONQKSCZLHLV-UHFFFAOYSA-N 1 3 308.430 -0.530 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000637810353 377574073 /nfs/dbraw/zinc/57/40/73/377574073.db2.gz HATGBBSJGBJMGL-MRXNPFEDSA-N 1 3 319.453 -0.533 20 0 DBADHO COCCOCCN(C)CCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000637865867 377608806 /nfs/dbraw/zinc/60/88/06/377608806.db2.gz JAUMJRDDRXCGLR-KBPBESRZSA-N 1 3 317.430 -0.454 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638098340 377837248 /nfs/dbraw/zinc/83/72/48/377837248.db2.gz LSSKRFIOSFFBBN-GXTWGEPZSA-N 1 3 312.414 -0.885 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)CCC2C[NH2+]C2)CC1 ZINC000638097219 377837804 /nfs/dbraw/zinc/83/78/04/377837804.db2.gz CDPQYBLGFWSZGT-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO C[NH+](C)CCCOC1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638297706 377871239 /nfs/dbraw/zinc/87/12/39/377871239.db2.gz JGJCNGLILVAJOS-UHFFFAOYSA-N 1 3 312.458 -0.149 20 0 DBADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638339205 377878750 /nfs/dbraw/zinc/87/87/50/377878750.db2.gz FBZOJMHLRYICHP-HOCLYGCPSA-N 1 3 310.442 -0.364 20 0 DBADHO COC[C@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)CCCCN1 ZINC000638367760 377880416 /nfs/dbraw/zinc/88/04/16/377880416.db2.gz XZZBRDOLDXUQSZ-LZWOXQAQSA-N 1 3 321.425 -0.168 20 0 DBADHO C[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)CN1CCN(C)CC1 ZINC000638138282 377849829 /nfs/dbraw/zinc/84/98/29/377849829.db2.gz ZQRNLNUQDHJRJK-ZBFHGGJFSA-N 1 3 312.458 -0.258 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000638139932 377851654 /nfs/dbraw/zinc/85/16/54/377851654.db2.gz QPHFKGVZQUOTFU-VYDXJSESSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638169626 377854400 /nfs/dbraw/zinc/85/44/00/377854400.db2.gz BPWSOIUGGXREDM-LSDHHAIUSA-N 1 3 306.410 -0.368 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638436589 377915114 /nfs/dbraw/zinc/91/51/14/377915114.db2.gz CTXZYBBSEXTVFO-HNNXBMFYSA-N 1 3 318.421 -0.354 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000638436590 377915954 /nfs/dbraw/zinc/91/59/54/377915954.db2.gz CTXZYBBSEXTVFO-OAHLLOKOSA-N 1 3 318.421 -0.354 20 0 DBADHO CC1(OCC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CNC1 ZINC000638783197 378081036 /nfs/dbraw/zinc/08/10/36/378081036.db2.gz IIOUGAKZXAQHAI-CQSZACIVSA-N 1 3 311.426 -0.018 20 0 DBADHO COC[C@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000638909021 378153671 /nfs/dbraw/zinc/15/36/71/378153671.db2.gz BOCVZIAQFIQBHG-ZFWWWQNUSA-N 1 3 322.413 -0.331 20 0 DBADHO O=C(Nc1cc(N2CCNCC2)ccn1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638985533 378282517 /nfs/dbraw/zinc/28/25/17/378282517.db2.gz KFQUYYNJXUTHLQ-LRDDRELGSA-N 1 3 317.393 -0.334 20 0 DBADHO COCCC[NH+]1CCC(NC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000367045497 378400612 /nfs/dbraw/zinc/40/06/12/378400612.db2.gz MDOVOOFPOPHVQS-MRXNPFEDSA-N 1 3 324.469 -0.007 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000583511674 378406438 /nfs/dbraw/zinc/40/64/38/378406438.db2.gz RTCJADUQEDEKGV-RWMBFGLXSA-N 1 3 309.414 -0.528 20 0 DBADHO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617505686 378366862 /nfs/dbraw/zinc/36/68/62/378366862.db2.gz MRHDZUUTRBSGEE-NWDGAFQWSA-N 1 3 322.475 -0.688 20 0 DBADHO C[C@@H](NS(C)(=O)=O)C(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617505686 378366866 /nfs/dbraw/zinc/36/68/66/378366866.db2.gz MRHDZUUTRBSGEE-NWDGAFQWSA-N 1 3 322.475 -0.688 20 0 DBADHO CNC(=O)NCCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617508028 378369897 /nfs/dbraw/zinc/36/98/97/378369897.db2.gz SFCNLTBUXYCETG-LBPRGKRZSA-N 1 3 301.435 -0.306 20 0 DBADHO CNC(=O)NCCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617508028 378369903 /nfs/dbraw/zinc/36/99/03/378369903.db2.gz SFCNLTBUXYCETG-LBPRGKRZSA-N 1 3 301.435 -0.306 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000332199145 378541181 /nfs/dbraw/zinc/54/11/81/378541181.db2.gz FGYJUJFBPYYUHN-AAVRWANBSA-N 1 3 308.426 -0.123 20 0 DBADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332621874 378545847 /nfs/dbraw/zinc/54/58/47/378545847.db2.gz HWZRNWRZTPZQKS-JSGCOSHPSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC[C@@H]1[NH3+] ZINC000332610210 378546526 /nfs/dbraw/zinc/54/65/26/378546526.db2.gz LIVMTWCKTDHTOZ-MQYQWHSLSA-N 1 3 308.426 -0.123 20 0 DBADHO CO[C@H](CN)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000353449145 378661205 /nfs/dbraw/zinc/66/12/05/378661205.db2.gz NIILPJSOUXHOBS-QLFBSQMISA-N 1 3 312.458 -0.023 20 0 DBADHO CO[C@H](CN)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000353449145 378661210 /nfs/dbraw/zinc/66/12/10/378661210.db2.gz NIILPJSOUXHOBS-QLFBSQMISA-N 1 3 312.458 -0.023 20 0 DBADHO NC(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(F)(F)F ZINC000353453802 378663751 /nfs/dbraw/zinc/66/37/51/378663751.db2.gz SBKINIWKVCDDHY-RNFRBKRXSA-N 1 3 322.253 -0.172 20 0 DBADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@]1(F)CCNC1 ZINC000367179870 378757629 /nfs/dbraw/zinc/75/76/29/378757629.db2.gz QQOCLIRUHZXDMD-MWLCHTKSSA-N 1 3 312.311 -0.360 20 0 DBADHO C[NH+](C)C1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCOCC1 ZINC000367196582 378800910 /nfs/dbraw/zinc/80/09/10/378800910.db2.gz NDIZNXDRHFGMEC-AWEZNQCLSA-N 1 3 310.442 -0.397 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NC1CCN(C2CC2)CC1 ZINC000354699824 378759609 /nfs/dbraw/zinc/75/96/09/378759609.db2.gz WKDOPPLIGLQMLR-CQSZACIVSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC1CCN(C2CC2)CC1 ZINC000354699819 378759728 /nfs/dbraw/zinc/75/97/28/378759728.db2.gz WKDOPPLIGLQMLR-AWEZNQCLSA-N 1 3 308.426 -0.012 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)C2C[NH2+]C2)CC1 ZINC000357248550 378930914 /nfs/dbraw/zinc/93/09/14/378930914.db2.gz QNZWUHJLCBRQKH-CYBMUJFWSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000357296280 378934475 /nfs/dbraw/zinc/93/44/75/378934475.db2.gz LAIOOAOTBXJARG-GUIRCDHDSA-N 1 3 310.442 -0.101 20 0 DBADHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000357924711 378978600 /nfs/dbraw/zinc/97/86/00/378978600.db2.gz IYVPNOVVNDRQFF-UONOGXRCSA-N 1 3 311.426 -0.140 20 0 DBADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1C[C@H](O)CN1 ZINC000357924711 378978609 /nfs/dbraw/zinc/97/86/09/378978609.db2.gz IYVPNOVVNDRQFF-UONOGXRCSA-N 1 3 311.426 -0.140 20 0 DBADHO NC(=O)[C@@H]1CCCN(C(=O)CN2CCC3(C2)CC[NH2+]CC3)C1 ZINC000358514849 379047530 /nfs/dbraw/zinc/04/75/30/379047530.db2.gz XZJBEUSKZCKMJQ-CYBMUJFWSA-N 1 3 308.426 -0.214 20 0 DBADHO CC[NH+](CC)CCOCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358643861 379069475 /nfs/dbraw/zinc/06/94/75/379069475.db2.gz BELBNKNTUGDTLL-HNNXBMFYSA-N 1 3 316.446 -0.289 20 0 DBADHO COCCC[N@H+](C)CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358725449 379084347 /nfs/dbraw/zinc/08/43/47/379084347.db2.gz RXDGDFCACFNBKR-AWEZNQCLSA-N 1 3 302.419 -0.680 20 0 DBADHO COCCC[N@@H+](C)CCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358725449 379084361 /nfs/dbraw/zinc/08/43/61/379084361.db2.gz RXDGDFCACFNBKR-AWEZNQCLSA-N 1 3 302.419 -0.680 20 0 DBADHO O=C(CN1CCN(CCC2CC[NH2+]CC2)CC1)N1CCOCC1 ZINC000359212556 379134268 /nfs/dbraw/zinc/13/42/68/379134268.db2.gz DMRUSGROOIAGNW-UHFFFAOYSA-N 1 3 324.469 -0.148 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]2C[NH+](C)C)CC1=O ZINC000362506707 379443927 /nfs/dbraw/zinc/44/39/27/379443927.db2.gz NAEFGJPOWDXIIZ-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1CC[NH2+]CC[C@H]1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000643453712 379645522 /nfs/dbraw/zinc/64/55/22/379645522.db2.gz UXSUHCHTPYQFMD-UONOGXRCSA-N 1 3 318.487 -0.459 20 0 DBADHO O=C(C[C@H]1CNCCO1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000374524525 379658777 /nfs/dbraw/zinc/65/87/77/379658777.db2.gz WGGRUBLYVOCZEM-WDEREUQCSA-N 1 3 324.347 -0.683 20 0 DBADHO CCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000178909115 379735694 /nfs/dbraw/zinc/73/56/94/379735694.db2.gz GHQGYXOJFKZNIC-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO COCC[N@@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188754812 379774944 /nfs/dbraw/zinc/77/49/44/379774944.db2.gz LTVYGIJQDJBYHG-NSHDSACASA-N 1 3 307.398 -0.104 20 0 DBADHO COCC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nc2c1CNCC2 ZINC000188754812 379774957 /nfs/dbraw/zinc/77/49/57/379774957.db2.gz LTVYGIJQDJBYHG-NSHDSACASA-N 1 3 307.398 -0.104 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000633104182 379832609 /nfs/dbraw/zinc/83/26/09/379832609.db2.gz WKLHUPYBPPRSTL-MGPQQGTHSA-N 1 3 310.442 -0.019 20 0 DBADHO CC[C@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418708584 379880076 /nfs/dbraw/zinc/88/00/76/379880076.db2.gz UIGMZDUQYYUPCP-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO CN1CCN(C(=O)CN2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000120710133 379884937 /nfs/dbraw/zinc/88/49/37/379884937.db2.gz JCRADOSCRQPBOH-UHFFFAOYSA-N 1 3 324.469 -0.195 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3CCC(=O)N3)CC2)CC1 ZINC000124411492 379888945 /nfs/dbraw/zinc/88/89/45/379888945.db2.gz ZNELVGSGYTXWDV-AWEZNQCLSA-N 1 3 308.426 -0.060 20 0 DBADHO CC(C)[NH+](CCNC(=O)C(=O)NC[C@H]1CNCCO1)C(C)C ZINC000419798320 379969775 /nfs/dbraw/zinc/96/97/75/379969775.db2.gz XDAYLDWSRFPUBE-CYBMUJFWSA-N 1 3 314.430 -0.674 20 0 DBADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000419839847 379977538 /nfs/dbraw/zinc/97/75/38/379977538.db2.gz CBTCPRWSCXXWAJ-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419844796 379979054 /nfs/dbraw/zinc/97/90/54/379979054.db2.gz OPKXYPRULFHHJV-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000419860874 379983776 /nfs/dbraw/zinc/98/37/76/379983776.db2.gz LFUXUBAWPUMZEF-KGLIPLIRSA-N 1 3 308.426 -0.073 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419581001 379943307 /nfs/dbraw/zinc/94/33/07/379943307.db2.gz ICHQQJPRBRTFJG-STQMWFEESA-N 1 3 312.414 -0.837 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)CCSC1 ZINC000419579539 379943573 /nfs/dbraw/zinc/94/35/73/379943573.db2.gz HIABIMCBPZKJFU-SMDDNHRTSA-N 1 3 314.455 -0.592 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419689636 379954559 /nfs/dbraw/zinc/95/45/59/379954559.db2.gz ARGUAMRYMBBEHS-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@@H]1[NH3+] ZINC000419697433 379956927 /nfs/dbraw/zinc/95/69/27/379956927.db2.gz QPTRPNGQUGDXNF-BZPMIXESSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@H](CCNC(=O)C(=O)N(CCN)CCO)[NH+]1CCCCC1 ZINC000419710061 379958227 /nfs/dbraw/zinc/95/82/27/379958227.db2.gz IGUKPSXMQCQYCK-CYBMUJFWSA-N 1 3 314.430 -0.853 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CC1 ZINC000419875598 379984925 /nfs/dbraw/zinc/98/49/25/379984925.db2.gz WVBOFKRDFQINPR-KBPBESRZSA-N 1 3 308.426 -0.073 20 0 DBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H]2CC[NH2+]C2)o1 ZINC000419883977 379988720 /nfs/dbraw/zinc/98/87/20/379988720.db2.gz NIQICDGNLGRDTQ-CYBMUJFWSA-N 1 3 322.409 -0.044 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000419946178 380002706 /nfs/dbraw/zinc/00/27/06/380002706.db2.gz DOZLEQRHAQLNPI-OLZOCXBDSA-N 1 3 314.430 -0.733 20 0 DBADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000419993248 380012026 /nfs/dbraw/zinc/01/20/26/380012026.db2.gz DTBQTYQAYRGSTK-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CC1 ZINC000420061804 380017065 /nfs/dbraw/zinc/01/70/65/380017065.db2.gz LQIVUHWOIHIYTL-KGLIPLIRSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420069650 380019090 /nfs/dbraw/zinc/01/90/90/380019090.db2.gz BGMWMQYMFJYZEC-LBPRGKRZSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420022392 380019309 /nfs/dbraw/zinc/01/93/09/380019309.db2.gz VUGOTGITTSEPLL-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000420025703 380019882 /nfs/dbraw/zinc/01/98/82/380019882.db2.gz BLOJFCFLTZKBCC-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCC1 ZINC000420091266 380026537 /nfs/dbraw/zinc/02/65/37/380026537.db2.gz MVMOVSPARNAIRF-UHFFFAOYSA-N 1 3 300.403 -0.979 20 0 DBADHO CN(C)[C@@H](CNC(=O)CN(CC[NH3+])CCO)c1ccccc1 ZINC000420300659 380051825 /nfs/dbraw/zinc/05/18/25/380051825.db2.gz CXHSCMXQGGXNCQ-HNNXBMFYSA-N 1 3 308.426 -0.342 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420290524 380052115 /nfs/dbraw/zinc/05/21/15/380052115.db2.gz UPIUXQHZGNRGJZ-NEPJUHHUSA-N 1 3 323.445 -0.709 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000420179782 380039455 /nfs/dbraw/zinc/03/94/55/380039455.db2.gz GILPIDLGAZBLQR-CYBMUJFWSA-N 1 3 314.430 -0.720 20 0 DBADHO O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC1CNC1 ZINC000572137285 380135615 /nfs/dbraw/zinc/13/56/15/380135615.db2.gz WOJKUXZIEOJRSD-AWEZNQCLSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC1CNC1 ZINC000572137285 380135623 /nfs/dbraw/zinc/13/56/23/380135623.db2.gz WOJKUXZIEOJRSD-AWEZNQCLSA-N 1 3 308.426 -0.012 20 0 DBADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000249472503 380114473 /nfs/dbraw/zinc/11/44/73/380114473.db2.gz UQGSYOKBOVYMRW-NWDGAFQWSA-N 1 3 300.403 -0.092 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261929708 380161781 /nfs/dbraw/zinc/16/17/81/380161781.db2.gz ZWMNZDAADKIRPC-CQSZACIVSA-N 1 3 322.453 -0.001 20 0 DBADHO CC[C@@H]1CN(CCC(=O)N2CCNCC2)CC[N@@H+]1C[C@H](C)O ZINC000261989225 380164172 /nfs/dbraw/zinc/16/41/72/380164172.db2.gz CSBYENPKCDQOGL-LSDHHAIUSA-N 1 3 312.458 -0.415 20 0 DBADHO CC[C@@H]1CN(CCC(=O)N2CCNCC2)CC[N@H+]1C[C@H](C)O ZINC000261989225 380164177 /nfs/dbraw/zinc/16/41/77/380164177.db2.gz CSBYENPKCDQOGL-LSDHHAIUSA-N 1 3 312.458 -0.415 20 0 DBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000423266019 380321250 /nfs/dbraw/zinc/32/12/50/380321250.db2.gz RNQSKKXECRKVFK-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO O=S(=O)(C[C@H]1CNCCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000313902793 380365391 /nfs/dbraw/zinc/36/53/91/380365391.db2.gz HAXMXNSSJUOSQQ-ZIAGYGMSSA-N 1 3 317.455 -0.135 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423510819 380340825 /nfs/dbraw/zinc/34/08/25/380340825.db2.gz OGFYWFBWBSHDAG-CHWSQXEVSA-N 1 3 308.426 -0.393 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423504369 380341728 /nfs/dbraw/zinc/34/17/28/380341728.db2.gz LBHVDMXGYVOPML-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@H]1C[NH3+] ZINC000423524903 380343136 /nfs/dbraw/zinc/34/31/36/380343136.db2.gz OVTHQPLVBRDPPT-CHWSQXEVSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000643489761 380361134 /nfs/dbraw/zinc/36/11/34/380361134.db2.gz ILNJOHHSYHMMDA-XQLPTFJDSA-N 1 3 322.453 -0.018 20 0 DBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 ZINC000643498776 380485755 /nfs/dbraw/zinc/48/57/55/380485755.db2.gz UKKNOYODLBDCPW-KGLIPLIRSA-N 1 3 324.425 -0.741 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643509341 380506332 /nfs/dbraw/zinc/50/63/32/380506332.db2.gz BEQMFPKXMBAIBH-CZUORRHYSA-N 1 3 308.426 -0.249 20 0 DBADHO COCCN1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626950986 380514440 /nfs/dbraw/zinc/51/44/40/380514440.db2.gz IGIDNFHUFLGEFB-UHFFFAOYSA-N 1 3 302.419 -0.286 20 0 DBADHO [NH3+]CCNC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612911570 380459781 /nfs/dbraw/zinc/45/97/81/380459781.db2.gz LYTGJPDMHCYVMS-GFCCVEGCSA-N 1 3 321.429 -0.333 20 0 DBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)C[C@H]21 ZINC000643513455 380531968 /nfs/dbraw/zinc/53/19/68/380531968.db2.gz WQCKLDZBRCVBIA-LXTVHRRPSA-N 1 3 320.437 -0.121 20 0 DBADHO CO[C@@H](C[NH3+])CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000447434357 380676738 /nfs/dbraw/zinc/67/67/38/380676738.db2.gz FZCSOOFHACPQNS-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CCN1CCC(NC(=O)CN(C)CCOCC[NH2+]C)CC1 ZINC000629571797 380691659 /nfs/dbraw/zinc/69/16/59/380691659.db2.gz QWNJJUAHOYYDPD-UHFFFAOYSA-N 1 3 300.447 -0.245 20 0 DBADHO CNS(=O)(=O)C[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629595425 380696340 /nfs/dbraw/zinc/69/63/40/380696340.db2.gz PBCXUHDWUWDDKF-QWHCGFSZSA-N 1 3 317.455 -0.231 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@H]1CN1CCN(C(=O)N2CCNCC2)CC1 ZINC000629650519 380702086 /nfs/dbraw/zinc/70/20/86/380702086.db2.gz VJHUXJQVLAYHGG-CABCVRRESA-N 1 3 309.458 -0.125 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@@H]1CN1CCN(C(=O)N2CCNCC2)CC1 ZINC000629650523 380702197 /nfs/dbraw/zinc/70/21/97/380702197.db2.gz VJHUXJQVLAYHGG-HUUCEWRRSA-N 1 3 309.458 -0.125 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000629798972 380725111 /nfs/dbraw/zinc/72/51/11/380725111.db2.gz XBIGWGQFDHWWTJ-UHFFFAOYSA-N 1 3 314.430 -0.901 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CCC([N@@H+](C)CCCO)CC1 ZINC000629798972 380725114 /nfs/dbraw/zinc/72/51/14/380725114.db2.gz XBIGWGQFDHWWTJ-UHFFFAOYSA-N 1 3 314.430 -0.901 20 0 DBADHO NS(=O)(=O)CCCN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000641799839 380971591 /nfs/dbraw/zinc/97/15/91/380971591.db2.gz RARUQQWCZCVLIP-QWHCGFSZSA-N 1 3 305.444 -0.117 20 0 DBADHO NS(=O)(=O)CCCN1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000641799838 380971753 /nfs/dbraw/zinc/97/17/53/380971753.db2.gz RARUQQWCZCVLIP-OLZOCXBDSA-N 1 3 305.444 -0.117 20 0 DBADHO Cn1c2ncn(CCN[C@H]3C[C@H]([NH3+])C3(C)C)c2c(=O)n(C)c1=O ZINC000641802110 380972136 /nfs/dbraw/zinc/97/21/36/380972136.db2.gz IDDQSUUKYMDXTI-UWVGGRQHSA-N 1 3 320.397 -0.851 20 0 DBADHO Cn1c2ncn(CC[NH2+][C@H]3C[C@H](N)C3(C)C)c2c(=O)n(C)c1=O ZINC000641802110 380972139 /nfs/dbraw/zinc/97/21/39/380972139.db2.gz IDDQSUUKYMDXTI-UWVGGRQHSA-N 1 3 320.397 -0.851 20 0 DBADHO [NH3+]C/C=C\CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000641861988 380975672 /nfs/dbraw/zinc/97/56/72/380975672.db2.gz HIQXRXPBGCUKGC-ARJAWSKDSA-N 1 3 311.430 -0.207 20 0 DBADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)C[C@H]2CNCCO2)CC[N@@H+]1C ZINC000631923044 381014186 /nfs/dbraw/zinc/01/41/86/381014186.db2.gz LHFQJCAYOWCQGL-JHJVBQTASA-N 1 3 305.444 -0.281 20 0 DBADHO C[C@@H]1C[C@H](N(C)S(=O)(=O)C[C@H]2CNCCO2)CC[N@H+]1C ZINC000631923044 381014193 /nfs/dbraw/zinc/01/41/93/381014193.db2.gz LHFQJCAYOWCQGL-JHJVBQTASA-N 1 3 305.444 -0.281 20 0 DBADHO C[C@H](CNC(=O)NC[C@@H]1COCCN1)C[NH+]1CCN(C)CC1 ZINC000626986364 381047268 /nfs/dbraw/zinc/04/72/68/381047268.db2.gz GPCFWVUJZQSWFC-ZIAGYGMSSA-N 1 3 313.446 -0.843 20 0 DBADHO C[C@H](CNC(=O)NC[C@H]1COCCN1)C[NH+]1CCN(C)CC1 ZINC000626986360 381048579 /nfs/dbraw/zinc/04/85/79/381048579.db2.gz GPCFWVUJZQSWFC-KGLIPLIRSA-N 1 3 313.446 -0.843 20 0 DBADHO [NH3+]CCCOCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000627118004 381096855 /nfs/dbraw/zinc/09/68/55/381096855.db2.gz ZOKDVGVLYPTTGU-AWEZNQCLSA-N 1 3 314.430 -0.096 20 0 DBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642329806 381103674 /nfs/dbraw/zinc/10/36/74/381103674.db2.gz WWILSVZZZFPZMT-LJISPDSOSA-N 1 3 322.453 -0.099 20 0 DBADHO COC1CCN(CCNC(=O)NCCOCCC[NH3+])CC1 ZINC000627215602 381150814 /nfs/dbraw/zinc/15/08/14/381150814.db2.gz LHIGKRPZHOQRAL-UHFFFAOYSA-N 1 3 302.419 -0.238 20 0 DBADHO O=C1CNC(=O)N1CCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239203 381297541 /nfs/dbraw/zinc/29/75/41/381297541.db2.gz FEIAVEYLRUZGOR-ZDUSSCGKSA-N 1 3 310.398 -0.371 20 0 DBADHO O=C1CNC(=O)N1CCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239202 381299420 /nfs/dbraw/zinc/29/94/20/381299420.db2.gz FEIAVEYLRUZGOR-CYBMUJFWSA-N 1 3 310.398 -0.371 20 0 DBADHO CN(C)C[C@@H](CO)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614854218 381357261 /nfs/dbraw/zinc/35/72/61/381357261.db2.gz LMMNZHIDKDZJCB-RDJZCZTQSA-N 1 3 321.421 -0.338 20 0 DBADHO CN(C)C[C@@H](CO)NC(=O)[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614854218 381357265 /nfs/dbraw/zinc/35/72/65/381357265.db2.gz LMMNZHIDKDZJCB-RDJZCZTQSA-N 1 3 321.421 -0.338 20 0 DBADHO CC(C)[NH+]1CCC(O)(CNCc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000540613493 381369358 /nfs/dbraw/zinc/36/93/58/381369358.db2.gz ZCYCQCKIRWMNEE-UHFFFAOYSA-N 1 3 324.425 -0.591 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)NC ZINC000090040501 381607695 /nfs/dbraw/zinc/60/76/95/381607695.db2.gz UPDZTYMTOZPAIF-CYBMUJFWSA-N 1 3 313.446 -0.210 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CNC(=O)NC ZINC000090040501 381607701 /nfs/dbraw/zinc/60/77/01/381607701.db2.gz UPDZTYMTOZPAIF-CYBMUJFWSA-N 1 3 313.446 -0.210 20 0 DBADHO O=C(CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1)N1CCOCC1 ZINC000566302714 381648801 /nfs/dbraw/zinc/64/88/01/381648801.db2.gz NDCAJVBTVDJAQD-MRXNPFEDSA-N 1 3 324.469 -0.148 20 0 DBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566925847 381675976 /nfs/dbraw/zinc/67/59/76/381675976.db2.gz FBOQPNIWKAKRTO-CABNGKKXSA-N 1 3 321.425 -0.578 20 0 DBADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566925847 381675978 /nfs/dbraw/zinc/67/59/78/381675978.db2.gz FBOQPNIWKAKRTO-CABNGKKXSA-N 1 3 321.425 -0.578 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000568297757 381754968 /nfs/dbraw/zinc/75/49/68/381754968.db2.gz VLFUSRLTJKYSHS-UONOGXRCSA-N 1 3 321.425 -0.433 20 0 DBADHO O=C(NC1CNC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000568374113 381757702 /nfs/dbraw/zinc/75/77/02/381757702.db2.gz QEFBWUZXYLIEMX-BXUZGUMPSA-N 1 3 306.410 -0.450 20 0 DBADHO O=C(NC1CNC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000568374113 381757707 /nfs/dbraw/zinc/75/77/07/381757707.db2.gz QEFBWUZXYLIEMX-BXUZGUMPSA-N 1 3 306.410 -0.450 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cn1 ZINC000567902512 381724329 /nfs/dbraw/zinc/72/43/29/381724329.db2.gz ODYSEDPXHJABAR-ABAIWWIYSA-N 1 3 320.397 -0.749 20 0 DBADHO COC[C@]1(C(=O)NCCCCN2CCN(C)CC2)CC[NH2+]C1 ZINC000568624550 381766805 /nfs/dbraw/zinc/76/68/05/381766805.db2.gz OGOKYIKFBYSFEV-INIZCTEOSA-N 1 3 312.458 -0.244 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573555631 381830112 /nfs/dbraw/zinc/83/01/12/381830112.db2.gz HWYKZPCIRNPLTI-MGPQQGTHSA-N 1 3 306.410 -0.639 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000574799913 381878679 /nfs/dbraw/zinc/87/86/79/381878679.db2.gz UBWAJPFCNPSTRR-AWEZNQCLSA-N 1 3 320.437 -0.105 20 0 DBADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1O ZINC000575079355 381883811 /nfs/dbraw/zinc/88/38/11/381883811.db2.gz WSXKJINWZMYSIJ-ILXRZTDVSA-N 1 3 311.426 -0.237 20 0 DBADHO CN(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C[C@@H]1O ZINC000575079355 381883816 /nfs/dbraw/zinc/88/38/16/381883816.db2.gz WSXKJINWZMYSIJ-ILXRZTDVSA-N 1 3 311.426 -0.237 20 0 DBADHO COC[C@@]1(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC[NH2+]C1 ZINC000574397082 381862408 /nfs/dbraw/zinc/86/24/08/381862408.db2.gz HBXKYHFHMUTIMV-GOEBONIOSA-N 1 3 312.458 -0.388 20 0 DBADHO COCCC[NH+]1CCC(NC[C@@H](O)CN2CCOCC2)CC1 ZINC000575862255 381899765 /nfs/dbraw/zinc/89/97/65/381899765.db2.gz ZEAOBZBVVYGUFC-MRXNPFEDSA-N 1 3 315.458 -0.230 20 0 DBADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)C1 ZINC000575859985 381901237 /nfs/dbraw/zinc/90/12/37/381901237.db2.gz AFOHZZLFMZCKEH-KEYYUXOJSA-N 1 3 320.437 -0.249 20 0 DBADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC1 ZINC000576600069 381930458 /nfs/dbraw/zinc/93/04/58/381930458.db2.gz TZRJUAOQKRIGAU-NEPJUHHUSA-N 1 3 309.414 -0.576 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374845 381965179 /nfs/dbraw/zinc/96/51/79/381965179.db2.gz SOJYUDBXYKZMDC-GFCCVEGCSA-N 1 3 313.446 -0.212 20 0 DBADHO CC[N@@H+]1CC[C@H]2OCCN(C[C@@H](O)CN(C)CCOC)[C@H]2C1 ZINC000577623323 381967362 /nfs/dbraw/zinc/96/73/62/381967362.db2.gz LVMYZPCMEXRLKT-HRCADAONSA-N 1 3 315.458 -0.280 20 0 DBADHO CC[N@H+]1CC[C@H]2OCCN(C[C@@H](O)CN(C)CCOC)[C@H]2C1 ZINC000577623323 381967367 /nfs/dbraw/zinc/96/73/67/381967367.db2.gz LVMYZPCMEXRLKT-HRCADAONSA-N 1 3 315.458 -0.280 20 0 DBADHO OC[C@@]1(O)CCCN(CCCC[N@@H+]2CCC[C@](O)(CO)C2)C1 ZINC000576939873 381940612 /nfs/dbraw/zinc/94/06/12/381940612.db2.gz OFBYDKXMHDEICC-HZPDHXFCSA-N 1 3 316.442 -0.595 20 0 DBADHO OC[C@@]1(O)CCCN(CCCC[N@H+]2CCC[C@](O)(CO)C2)C1 ZINC000576939873 381940617 /nfs/dbraw/zinc/94/06/17/381940617.db2.gz OFBYDKXMHDEICC-HZPDHXFCSA-N 1 3 316.442 -0.595 20 0 DBADHO O=C(C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)N1CCN2CCC[C@@H]2C1 ZINC000578347349 382011600 /nfs/dbraw/zinc/01/16/00/382011600.db2.gz AWCYRFLZVKZIHT-BFHYXJOUSA-N 1 3 306.410 -0.497 20 0 DBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579217497 382054156 /nfs/dbraw/zinc/05/41/56/382054156.db2.gz BMZSBSAMEFVXQD-MJBXVCDLSA-N 1 3 322.453 -0.099 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000579221139 382054216 /nfs/dbraw/zinc/05/42/16/382054216.db2.gz DTOIEWSVLNWAAJ-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(N[C@@H]1CNCCC1(F)F)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000579956907 382104208 /nfs/dbraw/zinc/10/42/08/382104208.db2.gz WCIFKGMCJAXBQE-MWLCHTKSSA-N 1 3 314.340 -0.243 20 0 DBADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000579572046 382077246 /nfs/dbraw/zinc/07/72/46/382077246.db2.gz WGZRXHLEVUAIQS-HIFRSBDPSA-N 1 3 307.442 -0.088 20 0 DBADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000581835724 382176200 /nfs/dbraw/zinc/17/62/00/382176200.db2.gz IKUKZQFPXGMXCC-ZDUSSCGKSA-N 1 3 311.430 -0.410 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccccn1 ZINC000581897623 382179963 /nfs/dbraw/zinc/17/99/63/382179963.db2.gz KKMWQVQESXDLQC-UHFFFAOYSA-N 1 3 321.425 -0.350 20 0 DBADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000581120574 382131326 /nfs/dbraw/zinc/13/13/26/382131326.db2.gz FOYBYKBFNLLALC-ZDUSSCGKSA-N 1 3 301.435 -0.761 20 0 DBADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000581120574 382131335 /nfs/dbraw/zinc/13/13/35/382131335.db2.gz FOYBYKBFNLLALC-ZDUSSCGKSA-N 1 3 301.435 -0.761 20 0 DBADHO [NH3+]CCCCn1cc(C(=O)N[C@@H]2CNCCC2(F)F)nn1 ZINC000581428674 382146905 /nfs/dbraw/zinc/14/69/05/382146905.db2.gz XSLBYWGGGWMLFC-SNVBAGLBSA-N 1 3 302.329 -0.256 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(C[C@@H](C)O)C[C@H]1C ZINC000581556108 382157523 /nfs/dbraw/zinc/15/75/23/382157523.db2.gz QVUVVDOVHSVDOJ-KFWWJZLASA-N 1 3 303.447 -0.688 20 0 DBADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@H]2CCN(C3CC3)C2)CC1=O ZINC000073074452 382321145 /nfs/dbraw/zinc/32/11/45/382321145.db2.gz JSHLATFGGDKNIF-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000072816710 382321283 /nfs/dbraw/zinc/32/12/83/382321283.db2.gz IZDOFJTWETYQGP-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000620972161 382460478 /nfs/dbraw/zinc/46/04/78/382460478.db2.gz XUTGZZABLBFUKN-JKSUJKDBSA-N 1 3 324.469 -0.055 20 0 DBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)CCO1 ZINC000620972160 382461045 /nfs/dbraw/zinc/46/10/45/382461045.db2.gz XUTGZZABLBFUKN-HZPDHXFCSA-N 1 3 324.469 -0.055 20 0 DBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)C[NH2+]1 ZINC000627323402 382493055 /nfs/dbraw/zinc/49/30/55/382493055.db2.gz VMKMHGKMEYVQNF-WCQYABFASA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@@H](Cn1cncn1)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000077804099 382502197 /nfs/dbraw/zinc/50/21/97/382502197.db2.gz WLXJWTNOHMZSHG-ZDUSSCGKSA-N 1 3 311.434 -0.199 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCN1C ZINC000621838795 382514430 /nfs/dbraw/zinc/51/44/30/382514430.db2.gz JFRSGELUUSPAHT-IATRGZMQSA-N 1 3 308.426 -0.075 20 0 DBADHO CCN(CCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621843363 382515095 /nfs/dbraw/zinc/51/50/95/382515095.db2.gz DEKXUZOOHKXNTP-MLGOLLRUSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000621840000 382515158 /nfs/dbraw/zinc/51/51/58/382515158.db2.gz BLQLJDSSHNNPBK-LRDDRELGSA-N 1 3 308.426 -0.073 20 0 DBADHO CCN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621843362 382515266 /nfs/dbraw/zinc/51/52/66/382515266.db2.gz DEKXUZOOHKXNTP-LRDDRELGSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000622027812 382535583 /nfs/dbraw/zinc/53/55/83/382535583.db2.gz ICASIRFUHHGTKN-WOSRLPQWSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(c1nc(N)nc(N)n1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000623964639 382591540 /nfs/dbraw/zinc/59/15/40/382591540.db2.gz MMSOITBWECRENZ-LLVKDONJSA-N 1 3 306.418 -0.699 20 0 DBADHO CN(c1nc(N)nc(N)n1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000623964639 382591547 /nfs/dbraw/zinc/59/15/47/382591547.db2.gz MMSOITBWECRENZ-LLVKDONJSA-N 1 3 306.418 -0.699 20 0 DBADHO CN(c1nc(N)nc(N)n1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000623964639 382591552 /nfs/dbraw/zinc/59/15/52/382591552.db2.gz MMSOITBWECRENZ-LLVKDONJSA-N 1 3 306.418 -0.699 20 0 DBADHO Nc1nc(N)nc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1 ZINC000624093165 382599906 /nfs/dbraw/zinc/59/99/06/382599906.db2.gz PUHWPTVMDPJHFX-GFCCVEGCSA-N 1 3 315.381 -0.703 20 0 DBADHO Nc1nc(N)nc(NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)n1 ZINC000624093165 382599910 /nfs/dbraw/zinc/59/99/10/382599910.db2.gz PUHWPTVMDPJHFX-GFCCVEGCSA-N 1 3 315.381 -0.703 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@@H]1CC[NH2+]C1 ZINC000624416265 382613604 /nfs/dbraw/zinc/61/36/04/382613604.db2.gz QQOXHZXSHAHVOB-GFCCVEGCSA-N 1 3 315.443 -0.298 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCN(C)CCCOC ZINC000627361016 382618114 /nfs/dbraw/zinc/61/81/14/382618114.db2.gz CHKXTYLLLULYRU-QWHCGFSZSA-N 1 3 314.430 -0.672 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627385027 382620815 /nfs/dbraw/zinc/62/08/15/382620815.db2.gz XALJCMNHDXCGKG-QWHCGFSZSA-N 1 3 314.430 -0.672 20 0 DBADHO [NH3+]CCCOCCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000627380568 382621145 /nfs/dbraw/zinc/62/11/45/382621145.db2.gz SWXKJJCJEKINGC-ZDUSSCGKSA-N 1 3 312.414 -0.932 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627428932 382625828 /nfs/dbraw/zinc/62/58/28/382625828.db2.gz SBYJGNUWBWGSSB-LBPRGKRZSA-N 1 3 312.414 -0.789 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000627428951 382626082 /nfs/dbraw/zinc/62/60/82/382626082.db2.gz SSOAXUMZJJNBQX-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452743 382628023 /nfs/dbraw/zinc/62/80/23/382628023.db2.gz SJSNGVAOKJEMLH-GFCCVEGCSA-N 1 3 312.414 -0.837 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000627503223 382634820 /nfs/dbraw/zinc/63/48/20/382634820.db2.gz DQKGVCMCXQMKLB-GXTWGEPZSA-N 1 3 317.393 -0.403 20 0 DBADHO C[NH+](C)CCOc1ccc(CNc2nc(N)nc(N)n2)cc1 ZINC000623871226 382583092 /nfs/dbraw/zinc/58/30/92/382583092.db2.gz YPHRWVKTRVVDQV-UHFFFAOYSA-N 1 3 303.370 -0.329 20 0 DBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)CCCO1 ZINC000631944998 382656497 /nfs/dbraw/zinc/65/64/97/382656497.db2.gz MNLJJVPCKWDCCT-CYBMUJFWSA-N 1 3 305.444 -0.148 20 0 DBADHO CN(C)CCCS(=O)(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000632068128 382660948 /nfs/dbraw/zinc/66/09/48/382660948.db2.gz BCHKAAABCZSPPR-UHFFFAOYSA-N 1 3 320.503 -0.117 20 0 DBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000633043244 382680443 /nfs/dbraw/zinc/68/04/43/382680443.db2.gz YWWCQEUOFGQCBH-QWRGUYRKSA-N 1 3 308.386 -0.669 20 0 DBADHO O=C(C(=O)N1CCN(c2ccncc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633076988 382681114 /nfs/dbraw/zinc/68/11/14/382681114.db2.gz UHDMPWRFKNUFJX-JSGCOSHPSA-N 1 3 315.377 -0.697 20 0 DBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633080306 382681178 /nfs/dbraw/zinc/68/11/78/382681178.db2.gz NGHNSJTXRIGOJF-MCIONIFRSA-N 1 3 308.426 -0.251 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633089824 382681651 /nfs/dbraw/zinc/68/16/51/382681651.db2.gz OWDSXGZPXPTRME-CHWSQXEVSA-N 1 3 314.430 -0.924 20 0 DBADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633095720 382682014 /nfs/dbraw/zinc/68/20/14/382682014.db2.gz YQIMLEXSNYMZBT-FQUUOJAGSA-N 1 3 308.426 -0.252 20 0 DBADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633095721 382682217 /nfs/dbraw/zinc/68/22/17/382682217.db2.gz YQIMLEXSNYMZBT-IGQOVBAYSA-N 1 3 308.426 -0.252 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(C2)CCCN(C)C3)C[C@H]1C[NH3+] ZINC000633113002 382683271 /nfs/dbraw/zinc/68/32/71/382683271.db2.gz JGUIBFCWLLUBEN-CPUCHLNUSA-N 1 3 322.453 -0.016 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(C2)CCCN(C)C3)C[C@H]1C[NH3+] ZINC000633113001 382683379 /nfs/dbraw/zinc/68/33/79/382683379.db2.gz JGUIBFCWLLUBEN-CKEIUWERSA-N 1 3 322.453 -0.016 20 0 DBADHO CO[C@H](C[NH3+])CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000447434358 533148048 /nfs/dbraw/zinc/14/80/48/533148048.db2.gz FZCSOOFHACPQNS-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CO[C@H](C[NH3+])CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000447434359 533149214 /nfs/dbraw/zinc/14/92/14/533149214.db2.gz FZCSOOFHACPQNS-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO COc1ccccc1[C@H](N)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646603062 391917096 /nfs/dbraw/zinc/91/70/96/391917096.db2.gz HHMFQDUQGDAUFU-OLZOCXBDSA-N 1 3 320.393 -0.321 20 0 DBADHO C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CN3CCN1CCC3)CCO2 ZINC000649131239 392013377 /nfs/dbraw/zinc/01/33/77/392013377.db2.gz DMPUAXOVJWPQSZ-HNNXBMFYSA-N 1 3 322.453 -0.301 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)CC[NH2+]C2)cn1 ZINC000237171098 391977783 /nfs/dbraw/zinc/97/77/83/391977783.db2.gz KEQURFSBKYCBFD-OAHLLOKOSA-N 1 3 322.413 -0.501 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318494 392034357 /nfs/dbraw/zinc/03/43/57/392034357.db2.gz PEWDUAXIGSCQRW-RQJABVFESA-N 1 3 308.426 -0.489 20 0 DBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649330218 392041104 /nfs/dbraw/zinc/04/11/04/392041104.db2.gz FKMXZWLTCGDIIM-BNOWGMLFSA-N 1 3 308.426 -0.204 20 0 DBADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418857540 392361582 /nfs/dbraw/zinc/36/15/82/392361582.db2.gz ZEUNVJNMPXCUGA-OAHLLOKOSA-N 1 3 320.437 -0.047 20 0 DBADHO C[C@H](CNC(=O)COCC(=O)NC[C@H](C)N(C)C)[NH+](C)C ZINC000357160625 392383559 /nfs/dbraw/zinc/38/35/59/392383559.db2.gz AZCGGAGVEACCIQ-TXEJJXNPSA-N 1 3 302.419 -0.864 20 0 DBADHO C[C@H](CNC(=O)COCC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000357160625 392383561 /nfs/dbraw/zinc/38/35/61/392383561.db2.gz AZCGGAGVEACCIQ-TXEJJXNPSA-N 1 3 302.419 -0.864 20 0 DBADHO Cc1cc(NC(=O)C(=O)NC2C[NH2+]C2)ccc1OCCN(C)C ZINC000561004700 392530606 /nfs/dbraw/zinc/53/06/06/392530606.db2.gz GYSCAOKJHNLDTQ-UHFFFAOYSA-N 1 3 320.393 -0.038 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419898266 392480000 /nfs/dbraw/zinc/48/00/00/392480000.db2.gz PHRCLNYPMXZGST-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCC[NH2+]3)C[C@H]2N)cn1 ZINC000644198713 392693425 /nfs/dbraw/zinc/69/34/25/392693425.db2.gz XKLSGSCFDMWOHK-HZSPNIEDSA-N 1 3 306.414 -0.002 20 0 DBADHO CN(C)CCN1CCC([NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000644677917 392784324 /nfs/dbraw/zinc/78/43/24/392784324.db2.gz NWSIPPMTZCEULF-MRXNPFEDSA-N 1 3 314.474 -0.705 20 0 DBADHO COC[C@H](O)C[N@H+]1CCC[C@H](N(C)C[C@H](O)COC)CC1 ZINC000338940890 392863259 /nfs/dbraw/zinc/86/32/59/392863259.db2.gz YVFMTJRNAWQERU-SOUVJXGZSA-N 1 3 304.431 -0.213 20 0 DBADHO COC[C@H](O)C[N@@H+]1CCC[C@H](N(C)C[C@H](O)COC)CC1 ZINC000338940890 392863264 /nfs/dbraw/zinc/86/32/64/392863264.db2.gz YVFMTJRNAWQERU-SOUVJXGZSA-N 1 3 304.431 -0.213 20 0 DBADHO CN(C)CCOc1cccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)c1 ZINC000415749084 392998612 /nfs/dbraw/zinc/99/86/12/392998612.db2.gz YYKQWXYTRZCIOM-UHFFFAOYSA-N 1 3 320.393 -0.004 20 0 DBADHO CCN(CCO)CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416025830 393000667 /nfs/dbraw/zinc/00/06/67/393000667.db2.gz HLCMPEREYZVIKT-VIFPVBQESA-N 1 3 300.325 -0.121 20 0 DBADHO C[C@H]([NH3+])[C@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417419539 393043959 /nfs/dbraw/zinc/04/39/59/393043959.db2.gz DEJACLXPURKYNI-AVGNSLFASA-N 1 3 313.446 -0.036 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000332100247 393327259 /nfs/dbraw/zinc/32/72/59/393327259.db2.gz DUDKMVVIHZMSCQ-ILXRZTDVSA-N 1 3 322.453 -0.005 20 0 DBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332551364 393329905 /nfs/dbraw/zinc/32/99/05/393329905.db2.gz JVLCXBCAEUKUJT-MELADBBJSA-N 1 3 308.426 -0.073 20 0 DBADHO COC[C@@]1(CNC(=O)NCCOCCN(C)C)CCC[NH2+]1 ZINC000418063234 393425659 /nfs/dbraw/zinc/42/56/59/393425659.db2.gz GNMOTWLSTCPVLK-AWEZNQCLSA-N 1 3 302.419 -0.368 20 0 DBADHO CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1cnc2c(c1)CNCC2 ZINC000648106779 393425896 /nfs/dbraw/zinc/42/58/96/393425896.db2.gz WJIWGMPRRWSIJB-AWEZNQCLSA-N 1 3 305.382 -0.235 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362971538 393450637 /nfs/dbraw/zinc/45/06/37/393450637.db2.gz VVKXEOKCJOBNMD-KGLIPLIRSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362971538 393450643 /nfs/dbraw/zinc/45/06/43/393450643.db2.gz VVKXEOKCJOBNMD-KGLIPLIRSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362971539 393450676 /nfs/dbraw/zinc/45/06/76/393450676.db2.gz VVKXEOKCJOBNMD-UONOGXRCSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000362971539 393450681 /nfs/dbraw/zinc/45/06/81/393450681.db2.gz VVKXEOKCJOBNMD-UONOGXRCSA-N 1 3 314.430 -0.273 20 0 DBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000419112144 393544200 /nfs/dbraw/zinc/54/42/00/393544200.db2.gz UWSIHQKOMXYJCH-IACUBPJLSA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418853588 393516942 /nfs/dbraw/zinc/51/69/42/393516942.db2.gz SLUUGUNKBDGUPJ-DZGCQCFKSA-N 1 3 320.437 -0.014 20 0 DBADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000418857322 393518859 /nfs/dbraw/zinc/51/88/59/393518859.db2.gz YUJKXWSYYLXMAW-HUUCEWRRSA-N 1 3 318.421 -0.165 20 0 DBADHO CN(C)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000418857323 393519079 /nfs/dbraw/zinc/51/90/79/393519079.db2.gz YUJKXWSYYLXMAW-LSDHHAIUSA-N 1 3 318.421 -0.165 20 0 DBADHO CN(C)[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418857604 393520683 /nfs/dbraw/zinc/52/06/83/393520683.db2.gz ZJVINORSGHVJQH-GJZGRUSLSA-N 1 3 318.421 -0.246 20 0 DBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419034520 393534886 /nfs/dbraw/zinc/53/48/86/393534886.db2.gz ZWJJASJAYFULOR-STQMWFEESA-N 1 3 314.430 -0.997 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419403898 393573340 /nfs/dbraw/zinc/57/33/40/393573340.db2.gz FOZVEQRBBKHEAA-ZDUSSCGKSA-N 1 3 312.414 -0.979 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419411984 393574225 /nfs/dbraw/zinc/57/42/25/393574225.db2.gz CEXCTBMMQJPKQP-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419416608 393574461 /nfs/dbraw/zinc/57/44/61/393574461.db2.gz WMFUTXMTOYFYKP-UONOGXRCSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419416606 393574640 /nfs/dbraw/zinc/57/46/40/393574640.db2.gz WMFUTXMTOYFYKP-KGLIPLIRSA-N 1 3 310.442 -0.050 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000419428628 393576733 /nfs/dbraw/zinc/57/67/33/393576733.db2.gz UAAJMIJRZFYWKU-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@@H]1C[C@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000246276135 393593409 /nfs/dbraw/zinc/59/34/09/393593409.db2.gz BCGPHUODJRSIBJ-OAGGEKHMSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@@H]1C[C@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@H+]1C ZINC000246276135 393593413 /nfs/dbraw/zinc/59/34/13/393593413.db2.gz BCGPHUODJRSIBJ-OAGGEKHMSA-N 1 3 324.469 -0.008 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419451877 393580356 /nfs/dbraw/zinc/58/03/56/393580356.db2.gz OCXCHFIIZRKJEC-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000419453837 393580789 /nfs/dbraw/zinc/58/07/89/393580789.db2.gz SJXYLZQWRDSQEH-QWHCGFSZSA-N 1 3 314.430 -0.733 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)C1CC1 ZINC000419521258 393583935 /nfs/dbraw/zinc/58/39/35/393583935.db2.gz JULWBBWQYOGNGC-MRXNPFEDSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419526545 393587005 /nfs/dbraw/zinc/58/70/05/393587005.db2.gz UBOUVKSVOUBFFH-MELADBBJSA-N 1 3 310.442 -0.099 20 0 DBADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419575763 393589330 /nfs/dbraw/zinc/58/93/30/393589330.db2.gz BNKBWDJCYKOTSL-CQSZACIVSA-N 1 3 316.471 -0.392 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCSC1 ZINC000419592835 393590698 /nfs/dbraw/zinc/59/06/98/393590698.db2.gz XIYKFSZUNGTOQK-SMDDNHRTSA-N 1 3 314.455 -0.510 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CCSC1 ZINC000419593731 393590808 /nfs/dbraw/zinc/59/08/08/393590808.db2.gz YDBRTPTXJZQIRO-SMDDNHRTSA-N 1 3 314.455 -0.607 20 0 DBADHO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C[NH3+] ZINC000424022115 393625439 /nfs/dbraw/zinc/62/54/39/393625439.db2.gz UPTLTSXZFVGOBR-MGPQQGTHSA-N 1 3 310.442 -0.160 20 0 DBADHO COCCN(CCN(C)C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424167923 393630592 /nfs/dbraw/zinc/63/05/92/393630592.db2.gz FINUCKJUYVUJSF-ZDUSSCGKSA-N 1 3 324.429 -0.147 20 0 DBADHO COCCN(CCN(C)C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424167920 393630600 /nfs/dbraw/zinc/63/06/00/393630600.db2.gz FINUCKJUYVUJSF-CYBMUJFWSA-N 1 3 324.429 -0.147 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458226024 393732732 /nfs/dbraw/zinc/73/27/32/393732732.db2.gz BZFGLKNJAXHDSC-AWEZNQCLSA-N 1 3 316.446 -0.289 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458226024 393732734 /nfs/dbraw/zinc/73/27/34/393732734.db2.gz BZFGLKNJAXHDSC-AWEZNQCLSA-N 1 3 316.446 -0.289 20 0 DBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H]3CNCCO3)CC2)C1 ZINC000646002929 393740215 /nfs/dbraw/zinc/74/02/15/393740215.db2.gz KGXWIQSGVSZWAH-CABCVRRESA-N 1 3 310.442 -0.397 20 0 DBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H]3CNCCO3)CC2)C1 ZINC000646002929 393740218 /nfs/dbraw/zinc/74/02/18/393740218.db2.gz KGXWIQSGVSZWAH-CABCVRRESA-N 1 3 310.442 -0.397 20 0 DBADHO COCCN1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471653503 393745106 /nfs/dbraw/zinc/74/51/06/393745106.db2.gz ORKRNYXLLISWDU-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332550474 287225985 /nfs/dbraw/zinc/22/59/85/287225985.db2.gz JIXOQEBTCPFYJW-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C1CNCCN1[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266771 411628813 /nfs/dbraw/zinc/62/88/13/411628813.db2.gz OWJOQIUHPALOQS-UONOGXRCSA-N 1 3 308.426 -0.596 20 0 DBADHO CC(C)OCCN1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662488872 411637212 /nfs/dbraw/zinc/63/72/12/411637212.db2.gz ZBGCQONSIHPYTP-UHFFFAOYSA-N 1 3 324.429 -0.144 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O ZINC000655246586 411638279 /nfs/dbraw/zinc/63/82/79/411638279.db2.gz LQJBTYQFCPZILT-MCIONIFRSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653148868 411649095 /nfs/dbraw/zinc/64/90/95/411649095.db2.gz NZYLVVRBWULYGI-ZIAGYGMSSA-N 1 3 300.447 -0.165 20 0 DBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655417419 411677879 /nfs/dbraw/zinc/67/78/79/411677879.db2.gz KMEHIABQHOWESO-IINYFYTJSA-N 1 3 305.386 -0.458 20 0 DBADHO CN1CCC[C@@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650724851 411685552 /nfs/dbraw/zinc/68/55/52/411685552.db2.gz NIAUSOMIAWYYDU-CYBMUJFWSA-N 1 3 311.430 -0.504 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@]1(O)CCOC1 ZINC000651280689 411732205 /nfs/dbraw/zinc/73/22/05/411732205.db2.gz IMQUXJABKBABCC-HNNXBMFYSA-N 1 3 316.446 -0.337 20 0 DBADHO NC[C@@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C(F)(F)F ZINC000655516320 411792199 /nfs/dbraw/zinc/79/21/99/411792199.db2.gz SQKCQJWPNLUEMO-IONNQARKSA-N 1 3 306.292 -0.351 20 0 DBADHO NC[C@@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)C(F)(F)F ZINC000655515147 411792301 /nfs/dbraw/zinc/79/23/01/411792301.db2.gz HRLFUMGZZNPDDB-SECBINFHSA-N 1 3 305.304 -0.032 20 0 DBADHO CN(C)CCn1cc(NC(=O)NCCN2CC[NH2+]CC2)cn1 ZINC000652612105 411807037 /nfs/dbraw/zinc/80/70/37/411807037.db2.gz INLCQYOJWQMXED-UHFFFAOYSA-N 1 3 309.418 -0.529 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622814 411808695 /nfs/dbraw/zinc/80/86/95/411808695.db2.gz UNBRGDCGVSQXCL-YPMHNXCESA-N 1 3 322.413 -0.503 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000659705130 411866086 /nfs/dbraw/zinc/86/60/86/411866086.db2.gz RUWKHBJQAKRDEO-MFOWVQHXSA-N 1 3 306.410 -0.545 20 0 DBADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732103 411826609 /nfs/dbraw/zinc/82/66/09/411826609.db2.gz CBTPQMFLZKZIPT-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659537070 411833991 /nfs/dbraw/zinc/83/39/91/411833991.db2.gz KGWVDZZYCZEDSD-QWHCGFSZSA-N 1 3 313.446 -0.354 20 0 DBADHO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659537071 411834006 /nfs/dbraw/zinc/83/40/06/411834006.db2.gz KGWVDZZYCZEDSD-STQMWFEESA-N 1 3 313.446 -0.354 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000659360023 411898929 /nfs/dbraw/zinc/89/89/29/411898929.db2.gz YPSMSXHKMPBEQM-NSHDSACASA-N 1 3 320.384 -0.290 20 0 DBADHO C[NH+](C)CCn1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)n1 ZINC000654005469 411929896 /nfs/dbraw/zinc/92/98/96/411929896.db2.gz QWSQQBQHWHJBAT-QWHCGFSZSA-N 1 3 322.413 -0.273 20 0 DBADHO [NH3+]CC[C@@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000655909948 411978102 /nfs/dbraw/zinc/97/81/02/411978102.db2.gz REWIPYJBCLJJNU-IVZWLZJFSA-N 1 3 310.320 -0.274 20 0 DBADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968979 411981637 /nfs/dbraw/zinc/98/16/37/411981637.db2.gz CWXRMDQQTZPWJP-ARILJUKYSA-N 1 3 308.426 -0.165 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000656022326 411988417 /nfs/dbraw/zinc/98/84/17/411988417.db2.gz GJTCRZPGCUMNCY-BFHYXJOUSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C[C@H]1[NH3+] ZINC000656028544 411991263 /nfs/dbraw/zinc/99/12/63/411991263.db2.gz MDLXNJDVBWJWHG-AAVRWANBSA-N 1 3 308.426 -0.075 20 0 DBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)CC2CN(C)C2)C1 ZINC000658460541 412055297 /nfs/dbraw/zinc/05/52/97/412055297.db2.gz NAOPBTPINQBCPO-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000659459319 412088638 /nfs/dbraw/zinc/08/86/38/412088638.db2.gz XMJRBWXGXJUFMR-NSHDSACASA-N 1 3 320.397 -0.076 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000659459319 412088641 /nfs/dbraw/zinc/08/86/41/412088641.db2.gz XMJRBWXGXJUFMR-NSHDSACASA-N 1 3 320.397 -0.076 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCC[C@H]2CCC[NH2+]2)n1 ZINC000659550275 412093327 /nfs/dbraw/zinc/09/33/27/412093327.db2.gz FVPLAUPDRUFBPR-SNVBAGLBSA-N 1 3 308.386 -0.028 20 0 DBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659556176 412094169 /nfs/dbraw/zinc/09/41/69/412094169.db2.gz QVTJGLXUJGMZGA-NEPJUHHUSA-N 1 3 301.435 -0.226 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCNc2cc[nH+]cc2)n1 ZINC000659633190 412096302 /nfs/dbraw/zinc/09/63/02/412096302.db2.gz QTDUBZVJYOPWEU-UHFFFAOYSA-N 1 3 317.353 -0.631 20 0 DBADHO C[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)[C@H](C[NH3+])C1 ZINC000659629504 412097078 /nfs/dbraw/zinc/09/70/78/412097078.db2.gz VQNYFTIBNROMHL-KOLCDFICSA-N 1 3 308.386 -0.090 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000659628659 412097489 /nfs/dbraw/zinc/09/74/89/412097489.db2.gz IRLBJWLBYHVGMN-DLOVCJGASA-N 1 3 320.397 -0.090 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659685334 412102878 /nfs/dbraw/zinc/10/28/78/412102878.db2.gz LLXRNNUXVPEYKL-UYJPIKCFSA-N 1 3 308.426 -0.073 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659685468 412103102 /nfs/dbraw/zinc/10/31/02/412103102.db2.gz OFLBAAGBKSDBEL-MFOWVQHXSA-N 1 3 308.426 -0.155 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659703111 412109823 /nfs/dbraw/zinc/10/98/23/412109823.db2.gz XIHVUEYZIILZBS-BTJONVMOSA-N 1 3 306.410 -0.321 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000659703111 412109827 /nfs/dbraw/zinc/10/98/27/412109827.db2.gz XIHVUEYZIILZBS-BTJONVMOSA-N 1 3 306.410 -0.321 20 0 DBADHO O=C(NCC1C[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659715528 412112788 /nfs/dbraw/zinc/11/27/88/412112788.db2.gz WXLIFRZNHMZUGI-ZDUSSCGKSA-N 1 3 308.426 -0.155 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000659721536 412114721 /nfs/dbraw/zinc/11/47/21/412114721.db2.gz HKPOZGGXBVHIRP-GFCCVEGCSA-N 1 3 314.430 -0.672 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000659728806 412115706 /nfs/dbraw/zinc/11/57/06/412115706.db2.gz ZOUZYMJWJACMSY-DLOXAQCQSA-N 1 3 320.437 -0.012 20 0 DBADHO C[C@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659739627 412119247 /nfs/dbraw/zinc/11/92/47/412119247.db2.gz BDRYEYNYFOWEAD-OPXGVBIBSA-N 1 3 308.426 -0.347 20 0 DBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659739884 412119318 /nfs/dbraw/zinc/11/93/18/412119318.db2.gz IWAFOBXLYCXDPQ-BWBHSNQOSA-N 1 3 308.426 -0.156 20 0 DBADHO CS(=O)(=O)NC[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662250711 412175131 /nfs/dbraw/zinc/17/51/31/412175131.db2.gz MLCHEHBITPVDLG-CHWSQXEVSA-N 1 3 317.455 -0.231 20 0 DBADHO C[NH+](C)CCC[C@@H]1CN(CCC(=O)N2CCNCC2)CCO1 ZINC000662328149 412177933 /nfs/dbraw/zinc/17/79/33/412177933.db2.gz ZFRMLFYZDAGYGY-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO CC(C)OC[C@H](N)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000662479302 412185485 /nfs/dbraw/zinc/18/54/85/412185485.db2.gz FUDKDNBSKXPNBH-KBPBESRZSA-N 1 3 300.447 -0.262 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000662836599 412206463 /nfs/dbraw/zinc/20/64/63/412206463.db2.gz BKWGJPZODSDPJY-HZSPNIEDSA-N 1 3 308.426 -0.012 20 0 DBADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662930019 412213239 /nfs/dbraw/zinc/21/32/39/412213239.db2.gz LUCMMQUHLKPRPS-CHWSQXEVSA-N 1 3 314.405 -0.173 20 0 DBADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000662930019 412213243 /nfs/dbraw/zinc/21/32/43/412213243.db2.gz LUCMMQUHLKPRPS-CHWSQXEVSA-N 1 3 314.405 -0.173 20 0 DBADHO COCCN(C)C[C@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151514 412172265 /nfs/dbraw/zinc/17/22/65/412172265.db2.gz IUDQPOXXUDVCCW-CVEARBPZSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151514 412172267 /nfs/dbraw/zinc/17/22/67/412172267.db2.gz IUDQPOXXUDVCCW-CVEARBPZSA-N 1 3 315.458 -0.544 20 0 DBADHO CN(C)CCn1ccc(NC(=O)NCCOCC[NH+](C)C)n1 ZINC000361435635 412287110 /nfs/dbraw/zinc/28/71/10/412287110.db2.gz MHTLEBVTOZRULA-UHFFFAOYSA-N 1 3 312.418 0.144 20 0 DBADHO C[C@@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013645 412223406 /nfs/dbraw/zinc/22/34/06/412223406.db2.gz FGTTUGGPLXSEEW-NEPJUHHUSA-N 1 3 306.414 -0.128 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(=O)N(C)C ZINC000663464086 412234783 /nfs/dbraw/zinc/23/47/83/412234783.db2.gz ILWCRYINHNDEIJ-LBPRGKRZSA-N 1 3 301.435 -0.354 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(=O)N(C)C ZINC000663464086 412234785 /nfs/dbraw/zinc/23/47/85/412234785.db2.gz ILWCRYINHNDEIJ-LBPRGKRZSA-N 1 3 301.435 -0.354 20 0 DBADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446767815 412290604 /nfs/dbraw/zinc/29/06/04/412290604.db2.gz FOEULPPLCZLOGU-GFCCVEGCSA-N 1 3 322.413 -0.406 20 0 DBADHO Cc1cc(NC(=O)CN2CCN(CC[C@H]3CC[NH2+]C3)CC2)no1 ZINC000582423499 412386399 /nfs/dbraw/zinc/38/63/99/412386399.db2.gz ALCNGOXQBWNUME-CQSZACIVSA-N 1 3 321.425 0.539 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)COCc1nccn1C ZINC000668302266 544425057 /nfs/dbraw/zinc/42/50/57/544425057.db2.gz CJCSREGRPAHHNE-UHFFFAOYSA-N 1 3 311.430 -0.112 20 0 DBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)NCc1ccn(C)c1 ZINC000558460983 544443042 /nfs/dbraw/zinc/44/30/42/544443042.db2.gz GVUVBPOHPRMNBZ-UHFFFAOYSA-N 1 3 323.441 -0.407 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccn(C)c1 ZINC000558460983 544443045 /nfs/dbraw/zinc/44/30/45/544443045.db2.gz GVUVBPOHPRMNBZ-UHFFFAOYSA-N 1 3 323.441 -0.407 20 0 DBADHO CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000127028264 544482920 /nfs/dbraw/zinc/48/29/20/544482920.db2.gz SXKNEIMZWZMNJZ-UHFFFAOYSA-N 1 3 324.429 -0.160 20 0 DBADHO CC(C)[N@@H+](C)CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000127028264 544482925 /nfs/dbraw/zinc/48/29/25/544482925.db2.gz SXKNEIMZWZMNJZ-UHFFFAOYSA-N 1 3 324.429 -0.160 20 0 DBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)CCC1 ZINC000672980395 544604694 /nfs/dbraw/zinc/60/46/94/544604694.db2.gz AHHYMZIKSCYNSW-ZDUSSCGKSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1=O ZINC000673671190 544807408 /nfs/dbraw/zinc/80/74/08/544807408.db2.gz WJGCUHQNMHHPJP-ZIAGYGMSSA-N 1 3 310.442 -0.193 20 0 DBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676093331 544857535 /nfs/dbraw/zinc/85/75/35/544857535.db2.gz VAMSIXBAUMVDJP-LBPRGKRZSA-N 1 3 324.429 -0.160 20 0 DBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000677885822 544899909 /nfs/dbraw/zinc/89/99/09/544899909.db2.gz HNFFUTRDTWBIPW-HOTGVXAUSA-N 1 3 324.469 -0.415 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC000680525498 544951006 /nfs/dbraw/zinc/95/10/06/544951006.db2.gz VVONHQWDQRPPKM-ZDUSSCGKSA-N 1 3 316.446 -0.740 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC000680525498 544951011 /nfs/dbraw/zinc/95/10/11/544951011.db2.gz VVONHQWDQRPPKM-ZDUSSCGKSA-N 1 3 316.446 -0.740 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC000680525498 544951015 /nfs/dbraw/zinc/95/10/15/544951015.db2.gz VVONHQWDQRPPKM-ZDUSSCGKSA-N 1 3 316.446 -0.740 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC000680525498 544951018 /nfs/dbraw/zinc/95/10/18/544951018.db2.gz VVONHQWDQRPPKM-ZDUSSCGKSA-N 1 3 316.446 -0.740 20 0 DBADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419692184 265805678 /nfs/dbraw/zinc/80/56/78/265805678.db2.gz GGDVSRDYVLEENL-IPYPFGDCSA-N 1 3 320.437 -0.060 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000420008392 265835448 /nfs/dbraw/zinc/83/54/48/265835448.db2.gz UIPSLKFGQKHSAL-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@@]1(C)C[NH3+] ZINC000423725700 265912482 /nfs/dbraw/zinc/91/24/82/265912482.db2.gz ONHZOOKQTZJJCY-DVOMOZLQSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)[C@H]1CN ZINC000423717616 265913544 /nfs/dbraw/zinc/91/35/44/265913544.db2.gz BDSGQJUWFALVRX-MCIONIFRSA-N 1 3 310.442 -0.018 20 0 DBADHO COCCCN(C)CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430810519 266013692 /nfs/dbraw/zinc/01/36/92/266013692.db2.gz MBRQOYMCFKFEDZ-UHFFFAOYSA-N 1 3 324.429 -0.099 20 0 DBADHO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000430874672 266014864 /nfs/dbraw/zinc/01/48/64/266014864.db2.gz GFEHDIDGAQSJBZ-CQSZACIVSA-N 1 3 324.425 -0.869 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@@H]2CNCCO2)C1 ZINC000430890503 266015216 /nfs/dbraw/zinc/01/52/16/266015216.db2.gz RCQLGUDGHSMKBJ-CHWSQXEVSA-N 1 3 312.414 -0.932 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]2CNCCO2)C1 ZINC000430890503 266015217 /nfs/dbraw/zinc/01/52/17/266015217.db2.gz RCQLGUDGHSMKBJ-CHWSQXEVSA-N 1 3 312.414 -0.932 20 0 DBADHO CNC(=O)NC(=O)CCN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000431007884 266016658 /nfs/dbraw/zinc/01/66/58/266016658.db2.gz WPKNGUANGFLOSN-UHFFFAOYSA-N 1 3 313.446 -0.210 20 0 DBADHO CNC(=O)NC(=O)CCN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000431007884 266016662 /nfs/dbraw/zinc/01/66/62/266016662.db2.gz WPKNGUANGFLOSN-UHFFFAOYSA-N 1 3 313.446 -0.210 20 0 DBADHO CC(=O)N1CCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)CC1 ZINC000431041918 266017431 /nfs/dbraw/zinc/01/74/31/266017431.db2.gz ARVGDSBHBRGPMQ-UHFFFAOYSA-N 1 3 308.426 -0.247 20 0 DBADHO COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@H](CC[NH3+])C1 ZINC000443077153 266136393 /nfs/dbraw/zinc/13/63/93/266136393.db2.gz UFAGRIDQITWGSF-VXGBXAGGSA-N 1 3 300.403 -0.092 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)/C=C\C[NH+](C)C)cn1 ZINC000491909282 266149971 /nfs/dbraw/zinc/14/99/71/266149971.db2.gz ZICYJAYFRWMRSE-WAYWQWQTSA-N 1 3 322.413 -0.383 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1COC(=O)N1 ZINC000496980541 266252841 /nfs/dbraw/zinc/25/28/41/266252841.db2.gz RKJBLVUZHNQXHH-CHWSQXEVSA-N 1 3 312.414 -0.031 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1COC(=O)N1 ZINC000496980541 266252844 /nfs/dbraw/zinc/25/28/44/266252844.db2.gz RKJBLVUZHNQXHH-CHWSQXEVSA-N 1 3 312.414 -0.031 20 0 DBADHO CN(C)CCOCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000516068159 266276878 /nfs/dbraw/zinc/27/68/78/266276878.db2.gz URHRVWIPFBRVKY-UHFFFAOYSA-N 1 3 309.414 -0.344 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000516917301 266286606 /nfs/dbraw/zinc/28/66/06/266286606.db2.gz USNHLNMVOUJIMZ-MCIONIFRSA-N 1 3 308.426 -0.345 20 0 DBADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2OCCN[C@@H]2C1 ZINC000517750201 266296691 /nfs/dbraw/zinc/29/66/91/266296691.db2.gz YNRSJBBWYSVUAN-YVSFHVDLSA-N 1 3 305.422 -0.020 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccnc2c1nnn2C ZINC000518568192 266303481 /nfs/dbraw/zinc/30/34/81/266303481.db2.gz CCGKTJVNPNQYGG-UHFFFAOYSA-N 1 3 319.413 -0.071 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000521070848 266324257 /nfs/dbraw/zinc/32/42/57/266324257.db2.gz NAPYCSKXZBJAJF-MCIONIFRSA-N 1 3 317.393 -0.360 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cncnc1 ZINC000527124008 266354943 /nfs/dbraw/zinc/35/49/43/266354943.db2.gz PXSGKBWVWDKPBM-UHFFFAOYSA-N 1 3 308.386 -0.633 20 0 DBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418956763 279126892 /nfs/dbraw/zinc/12/68/92/279126892.db2.gz ZDJFPOIKURLXOX-IHRRRGAJSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000332570556 288320613 /nfs/dbraw/zinc/32/06/13/288320613.db2.gz CPRIBIACYBRNCN-RQJABVFESA-N 1 3 308.426 -0.204 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1=O ZINC000362506709 289158321 /nfs/dbraw/zinc/15/83/21/289158321.db2.gz NAEFGJPOWDXIIZ-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449702203 289159825 /nfs/dbraw/zinc/15/98/25/289159825.db2.gz CYYMJDGJMWBUAN-CHWSQXEVSA-N 1 3 310.442 -0.099 20 0 DBADHO C[NH+](C)CCOCCNC(=O)NC[C@H]1CCCCN1CCO ZINC000458706021 289168276 /nfs/dbraw/zinc/16/82/76/289168276.db2.gz ZNZNUFGEGPTNQM-CQSZACIVSA-N 1 3 316.446 -0.289 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1 ZINC000332676803 289289835 /nfs/dbraw/zinc/28/98/35/289289835.db2.gz OFMXYTSPKKLSSK-MJBXVCDLSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331607529 289381100 /nfs/dbraw/zinc/38/11/00/289381100.db2.gz BTFQTHHPXGHFCY-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CCOC2CNC2)CC1 ZINC000348999483 290083774 /nfs/dbraw/zinc/08/37/74/290083774.db2.gz LXRWCISIKSUYLG-ZDUSSCGKSA-N 1 3 313.442 -0.084 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CCOC2CNC2)C1 ZINC000349053895 295107922 /nfs/dbraw/zinc/10/79/22/295107922.db2.gz NHAKGCTVOPDFPB-GFCCVEGCSA-N 1 3 312.414 -0.932 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)CCOC2CNC2)C1 ZINC000349053895 295107925 /nfs/dbraw/zinc/10/79/25/295107925.db2.gz NHAKGCTVOPDFPB-GFCCVEGCSA-N 1 3 312.414 -0.932 20 0 DBADHO O=C(CCC1CC[NH2+]CC1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000584230758 331872550 /nfs/dbraw/zinc/87/25/50/331872550.db2.gz WSWDXEWVQOJQOI-UHFFFAOYSA-N 1 3 307.402 -0.067 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000569572544 332142236 /nfs/dbraw/zinc/14/22/36/332142236.db2.gz BYSOQCGNPUTVLN-CVEARBPZSA-N 1 3 324.469 -0.008 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000572705878 332285156 /nfs/dbraw/zinc/28/51/56/332285156.db2.gz SAGVLIMTXIWXQX-KGLIPLIRSA-N 1 3 323.441 -0.328 20 0 DBADHO N[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000583392210 332382659 /nfs/dbraw/zinc/38/26/59/332382659.db2.gz YSMFXBPEJVJOHW-MGPQQGTHSA-N 1 3 302.378 -0.673 20 0 DBADHO CO[C@@H](C[NH3+])CC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000569967381 332697635 /nfs/dbraw/zinc/69/76/35/332697635.db2.gz MDFHFXVTJABJSL-CHWSQXEVSA-N 1 3 314.430 -0.543 20 0 DBADHO CN1CCN(C[C@@H](O)CNC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000583631003 336007755 /nfs/dbraw/zinc/00/77/55/336007755.db2.gz DPAOHFVSUZFLJE-HOTGVXAUSA-N 1 3 314.474 -0.969 20 0 DBADHO CN1CCN(C[C@@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)CC1 ZINC000583631003 336007756 /nfs/dbraw/zinc/00/77/56/336007756.db2.gz DPAOHFVSUZFLJE-HOTGVXAUSA-N 1 3 314.474 -0.969 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000582793767 337170721 /nfs/dbraw/zinc/17/07/21/337170721.db2.gz OECFCYGCVQJTPW-HUUCEWRRSA-N 1 3 317.474 -0.298 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000582793767 337170722 /nfs/dbraw/zinc/17/07/22/337170722.db2.gz OECFCYGCVQJTPW-HUUCEWRRSA-N 1 3 317.474 -0.298 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000582839773 337207606 /nfs/dbraw/zinc/20/76/06/337207606.db2.gz LIBVJNLKCCNNSI-CBBWQLFWSA-N 1 3 320.437 -0.251 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NCCC3=CC[NH2+]CC3)CCN2C1=O ZINC000582916475 337217643 /nfs/dbraw/zinc/21/76/43/337217643.db2.gz UPCYIWGXNYSJEA-STQMWFEESA-N 1 3 307.398 -0.750 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCCC3=CC[NH2+]CC3)CCN2C1=O ZINC000582916474 337217697 /nfs/dbraw/zinc/21/76/97/337217697.db2.gz UPCYIWGXNYSJEA-QWHCGFSZSA-N 1 3 307.398 -0.750 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000583078830 337236495 /nfs/dbraw/zinc/23/64/95/337236495.db2.gz OWPMZBHUYDMBKE-QKGCVVFFSA-N 1 3 320.437 -0.123 20 0 DBADHO C[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000584409836 337320829 /nfs/dbraw/zinc/32/08/29/337320829.db2.gz XMHZWRLGULCWHN-CHWSQXEVSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000572901551 338242340 /nfs/dbraw/zinc/24/23/40/338242340.db2.gz PSMPYHTWJKQYCG-QWHCGFSZSA-N 1 3 309.414 -0.576 20 0 DBADHO CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000572901551 338242341 /nfs/dbraw/zinc/24/23/41/338242341.db2.gz PSMPYHTWJKQYCG-QWHCGFSZSA-N 1 3 309.414 -0.576 20 0 DBADHO C[C@@H]1CN(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[C@@]1(C)C[NH3+] ZINC000573340286 341725604 /nfs/dbraw/zinc/72/56/04/341725604.db2.gz QKPLHODTHHVACD-NWJSVONSSA-N 1 3 309.414 -0.733 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H]1N(C)C ZINC000573793506 341739475 /nfs/dbraw/zinc/73/94/75/341739475.db2.gz YVQTUJSLGMXQOB-CKEIUWERSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000574031721 341746435 /nfs/dbraw/zinc/74/64/35/341746435.db2.gz RHUBGBQWRAFAHG-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO C[NH2+]CCc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000576410227 341845065 /nfs/dbraw/zinc/84/50/65/341845065.db2.gz IFNYXHUKQJSPEP-DZGCQCFKSA-N 1 3 316.405 -0.168 20 0 DBADHO C[C@H]([NH2+]C1CC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000449119253 533795731 /nfs/dbraw/zinc/79/57/31/533795731.db2.gz XPTOWKLGWZZATM-ZDUSSCGKSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418828124 518177256 /nfs/dbraw/zinc/17/72/56/518177256.db2.gz CTDBAXRXJQWHKA-GXTWGEPZSA-N 1 3 306.410 -0.261 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000331460083 521010055 /nfs/dbraw/zinc/01/00/55/521010055.db2.gz UTJMQXQSDWEUFN-LSDHHAIUSA-N 1 3 322.453 -0.098 20 0 DBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365033780 521771658 /nfs/dbraw/zinc/77/16/58/521771658.db2.gz RDZRJMGMNALSBX-ZDUSSCGKSA-N 1 3 308.426 -0.297 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC([NH+](C)C)CC2)CC1=O ZINC000345766711 521772321 /nfs/dbraw/zinc/77/23/21/521772321.db2.gz NUWWPQGAUGYELS-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332224049 522501794 /nfs/dbraw/zinc/50/17/94/522501794.db2.gz ZDHMQKTVYVUIDH-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO COC[C@@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC[NH2+]C1 ZINC000333542402 522532865 /nfs/dbraw/zinc/53/28/65/522532865.db2.gz IBRUESJGTODCFV-GZBFAFLISA-N 1 3 307.398 -0.701 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000332638165 523480813 /nfs/dbraw/zinc/48/08/13/523480813.db2.gz QZSLOAJMADSCEQ-MGPQQGTHSA-N 1 3 324.425 -0.742 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000332626704 525422469 /nfs/dbraw/zinc/42/24/69/525422469.db2.gz VQTGIDOOBFIMPO-MGPQQGTHSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC[N@H+]1C ZINC000332626704 525422477 /nfs/dbraw/zinc/42/24/77/525422477.db2.gz VQTGIDOOBFIMPO-MGPQQGTHSA-N 1 3 308.426 -0.108 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000332380333 526895906 /nfs/dbraw/zinc/89/59/06/526895906.db2.gz WVQRDTQTZUIPPU-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332590066 527191433 /nfs/dbraw/zinc/19/14/33/527191433.db2.gz ADQNWRDARWCWHH-UONOGXRCSA-N 1 3 308.426 -0.120 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000331685244 527226784 /nfs/dbraw/zinc/22/67/84/527226784.db2.gz VOTPEBZAPHTADG-KBPBESRZSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+][C@H](CC(F)F)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000345821621 527384227 /nfs/dbraw/zinc/38/42/27/527384227.db2.gz UIZMQKBKBPEVLC-LLVKDONJSA-N 1 3 318.368 -0.265 20 0 DBADHO OC[C@H]1CC[C@@H](CO)N1C/C=C\C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347277940 527618420 /nfs/dbraw/zinc/61/84/20/527618420.db2.gz PQTATYSIBSPKSJ-UYRVCGCOSA-N 1 3 314.426 -0.822 20 0 DBADHO OC[C@H]1CC[C@@H](CO)N1C/C=C\C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347277940 527618425 /nfs/dbraw/zinc/61/84/25/527618425.db2.gz PQTATYSIBSPKSJ-UYRVCGCOSA-N 1 3 314.426 -0.822 20 0 DBADHO O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CN2CCN1CCC2 ZINC000344988544 527650559 /nfs/dbraw/zinc/65/05/59/527650559.db2.gz IYSQEXMCJGUWFL-HZPDHXFCSA-N 1 3 324.469 -0.271 20 0 DBADHO O=C(NCCCC[N@@H+]1CCC[C@@H]1CO)[C@H]1CN2CCN1CCC2 ZINC000344988544 527650563 /nfs/dbraw/zinc/65/05/63/527650563.db2.gz IYSQEXMCJGUWFL-HZPDHXFCSA-N 1 3 324.469 -0.271 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418498403 528082891 /nfs/dbraw/zinc/08/28/91/528082891.db2.gz XDYFUSVKNRVEQP-ZDUSSCGKSA-N 1 3 313.446 -0.223 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])CC1 ZINC000418714660 528083643 /nfs/dbraw/zinc/08/36/43/528083643.db2.gz YWKIHJYIGPZRQZ-OLZOCXBDSA-N 1 3 313.446 -0.082 20 0 DBADHO CC(C)C[C@H](NC(=O)NC[C@@H](C)C[NH3+])C(=O)NCCN(C)C ZINC000418473063 528565943 /nfs/dbraw/zinc/56/59/43/528565943.db2.gz OGEDTYPSUOLRNS-STQMWFEESA-N 1 3 315.462 -0.027 20 0 DBADHO CN(C)CCNC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000342648063 535883565 /nfs/dbraw/zinc/88/35/65/535883565.db2.gz NUOASWXQGOBOCA-UHFFFAOYSA-N 1 3 313.446 -0.210 20 0 DBADHO C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498521 665455843 /nfs/dbraw/zinc/45/58/43/665455843.db2.gz HQCQJUCGIGQWGZ-GWUWNPHMSA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498521 665455847 /nfs/dbraw/zinc/45/58/47/665455847.db2.gz HQCQJUCGIGQWGZ-GWUWNPHMSA-N 1 3 323.437 -0.235 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978682691 665559063 /nfs/dbraw/zinc/55/90/63/665559063.db2.gz XIYYNHVXFLYJGE-CYUUQNCZSA-N 1 3 322.453 -0.243 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCCN2CCO)n1 ZINC001027889671 665733776 /nfs/dbraw/zinc/73/37/76/665733776.db2.gz DHNHVPWHQBXBED-CYBMUJFWSA-N 1 3 309.414 -0.369 20 0 DBADHO NC(=O)CN1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980213864 665737378 /nfs/dbraw/zinc/73/73/78/665737378.db2.gz LPECRHWLQKZCKR-IHRRRGAJSA-N 1 3 320.437 -0.216 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000969595036 663849682 /nfs/dbraw/zinc/84/96/82/663849682.db2.gz LMFVHZPXTLKGLC-GRYCIOLGSA-N 1 3 308.382 -0.924 20 0 DBADHO CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC000969595025 663849715 /nfs/dbraw/zinc/84/97/15/663849715.db2.gz KLYQIUDPLZCGCE-HZSPNIEDSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020586454 663870576 /nfs/dbraw/zinc/87/05/76/663870576.db2.gz OOAUZBXQTCXZOF-XDQVBPFNSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020592528 663871521 /nfs/dbraw/zinc/87/15/21/663871521.db2.gz HPZVPQVMXYMWCE-ZJQBRPOHSA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020592528 663871523 /nfs/dbraw/zinc/87/15/23/663871523.db2.gz HPZVPQVMXYMWCE-ZJQBRPOHSA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020592525 663871569 /nfs/dbraw/zinc/87/15/69/663871569.db2.gz HPZVPQVMXYMWCE-BYNQJWBRSA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020592525 663871571 /nfs/dbraw/zinc/87/15/71/663871571.db2.gz HPZVPQVMXYMWCE-BYNQJWBRSA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC000969956117 663885716 /nfs/dbraw/zinc/88/57/16/663885716.db2.gz VWXBNNDEPFCBCF-UONOGXRCSA-N 1 3 306.414 -0.190 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC000969959197 663885989 /nfs/dbraw/zinc/88/59/89/663885989.db2.gz HKAQHIGCGBAJDR-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC000969959197 663885992 /nfs/dbraw/zinc/88/59/92/663885992.db2.gz HKAQHIGCGBAJDR-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000970103343 663905122 /nfs/dbraw/zinc/90/51/22/663905122.db2.gz MFYDYUMRZVRMNQ-LLVKDONJSA-N 1 3 306.370 -0.832 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001020926858 663922498 /nfs/dbraw/zinc/92/24/98/663922498.db2.gz GPRFNEVFQWAOCF-JHJVBQTASA-N 1 3 306.414 -0.106 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001020926858 663922501 /nfs/dbraw/zinc/92/25/01/663922501.db2.gz GPRFNEVFQWAOCF-JHJVBQTASA-N 1 3 306.414 -0.106 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001020933460 663924305 /nfs/dbraw/zinc/92/43/05/663924305.db2.gz JONFGWLVOIQQJI-HAQNSBGRSA-N 1 3 304.398 -0.352 20 0 DBADHO COCCN1CC([C@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970169858 663934587 /nfs/dbraw/zinc/93/45/87/663934587.db2.gz PQOMVXJBGHYMFM-KKVZTGDRSA-N 1 3 323.437 -0.068 20 0 DBADHO COCCN1CC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970169858 663934589 /nfs/dbraw/zinc/93/45/89/663934589.db2.gz PQOMVXJBGHYMFM-KKVZTGDRSA-N 1 3 323.437 -0.068 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[C@@H](N2CCCC2)C1 ZINC000926325060 664295872 /nfs/dbraw/zinc/29/58/72/664295872.db2.gz FEKYYHWLVBWWQW-RRFJBIMHSA-N 1 3 320.437 -0.107 20 0 DBADHO C[N@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968080 664305591 /nfs/dbraw/zinc/30/55/91/664305591.db2.gz BSWLGZGFOCFRKC-MYMJJRTCSA-N 1 3 309.410 -0.625 20 0 DBADHO C[N@@H+](CCO)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968080 664305595 /nfs/dbraw/zinc/30/55/95/664305595.db2.gz BSWLGZGFOCFRKC-MYMJJRTCSA-N 1 3 309.410 -0.625 20 0 DBADHO C[N@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968078 664305678 /nfs/dbraw/zinc/30/56/78/664305678.db2.gz BSWLGZGFOCFRKC-IOSBVQAASA-N 1 3 309.410 -0.625 20 0 DBADHO C[N@@H+](CCO)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC000971968078 664305681 /nfs/dbraw/zinc/30/56/81/664305681.db2.gz BSWLGZGFOCFRKC-IOSBVQAASA-N 1 3 309.410 -0.625 20 0 DBADHO CN1CCN(C(=O)CCN2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000934265947 664324149 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678965686 /nfs/dbraw/zinc/96/56/86/678965686.db2.gz SRELPUZXORVFPZ-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCSC1 ZINC000672532050 679000581 /nfs/dbraw/zinc/00/05/81/679000581.db2.gz FWGBYCPAGOFFHQ-GFCCVEGCSA-N 1 3 316.471 -0.440 20 0 DBADHO CN1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@@H](C[NH3+])C1 ZINC000841790793 805577406 /nfs/dbraw/zinc/57/74/06/805577406.db2.gz KCUWVDMOEILCTB-HZSPNIEDSA-N 1 3 311.430 -0.866 20 0 DBADHO CN1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@H](C[NH3+])C1 ZINC000841790792 805577750 /nfs/dbraw/zinc/57/77/50/805577750.db2.gz KCUWVDMOEILCTB-BFHYXJOUSA-N 1 3 311.430 -0.866 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842203220 805587866 /nfs/dbraw/zinc/58/78/66/805587866.db2.gz TVWKBOTVFJPKPF-RDBSUJKOSA-N 1 3 306.410 -0.593 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000846364288 805753126 /nfs/dbraw/zinc/75/31/26/805753126.db2.gz REWSASWKZBUUBX-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849591911 805874495 /nfs/dbraw/zinc/87/44/95/805874495.db2.gz HSJOQSOVOQVELG-ILXRZTDVSA-N 1 3 323.441 -0.506 20 0 DBADHO CN(C)C[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849591911 805874506 /nfs/dbraw/zinc/87/45/06/805874506.db2.gz HSJOQSOVOQVELG-ILXRZTDVSA-N 1 3 323.441 -0.506 20 0 DBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000851684365 805925652 /nfs/dbraw/zinc/92/56/52/805925652.db2.gz GQJZFSUURBYIGX-RYUDHWBXSA-N 1 3 312.414 -0.839 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001317111874 806090365 /nfs/dbraw/zinc/09/03/65/806090365.db2.gz RUMVIUDUHFAMRQ-OPDFLTKYSA-N 1 3 324.425 -0.385 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001317120223 806091045 /nfs/dbraw/zinc/09/10/45/806091045.db2.gz RLJHQVRWWSTPNX-USZNOCQGSA-N 1 3 310.398 -0.631 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNCC(=O)NC(N)=O 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CC(C)[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000870997983 806616037 /nfs/dbraw/zinc/61/60/37/806616037.db2.gz BYJHATGRNRQKDQ-MQYQWHSLSA-N 1 3 324.425 -0.034 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872185761 806647738 /nfs/dbraw/zinc/64/77/38/806647738.db2.gz DDKAJGDCGPYSDK-ZJUUUORDSA-N 1 3 324.347 -0.398 20 0 DBADHO CC(C)(C)[C@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872307714 806656856 /nfs/dbraw/zinc/65/68/56/806656856.db2.gz GWUMAUDOYMRJFW-WISYIIOYSA-N 1 3 310.398 -0.247 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)C1CC1 ZINC000875124921 806731301 /nfs/dbraw/zinc/73/13/01/806731301.db2.gz BLEQNFCINIPPRF-TZMCWYRMSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1)C1CC1 ZINC000875124921 806731306 /nfs/dbraw/zinc/73/13/06/806731306.db2.gz BLEQNFCINIPPRF-TZMCWYRMSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@]12CCC[C@H]1[NH2+]CC2 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DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCO ZINC001284477693 804715303 /nfs/dbraw/zinc/71/53/03/804715303.db2.gz QTGZERXIBSFPEM-KBPBESRZSA-N 1 3 301.431 -0.348 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000793935807 804742504 /nfs/dbraw/zinc/74/25/04/804742504.db2.gz HOJOYIOYRIZTNV-KBPBESRZSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000793935807 804742507 /nfs/dbraw/zinc/74/25/07/804742507.db2.gz HOJOYIOYRIZTNV-KBPBESRZSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(C)CC[N@H+](C)CCCNC(=O)CCN1CCOCC1 ZINC000811542749 805010516 /nfs/dbraw/zinc/01/05/16/805010516.db2.gz HJNWENLGGFWNMR-UHFFFAOYSA-N 1 3 300.447 -0.292 20 0 DBADHO CN(C)CC[N@@H+](C)CCCNC(=O)CCN1CCOCC1 ZINC000811542749 805010526 /nfs/dbraw/zinc/01/05/26/805010526.db2.gz HJNWENLGGFWNMR-UHFFFAOYSA-N 1 3 300.447 -0.292 20 0 DBADHO CN(CCCNC(=O)CCN1CCOCC1)CC[NH+](C)C ZINC000811542749 805010536 /nfs/dbraw/zinc/01/05/36/805010536.db2.gz HJNWENLGGFWNMR-UHFFFAOYSA-N 1 3 300.447 -0.292 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817949378 805104803 /nfs/dbraw/zinc/10/48/03/805104803.db2.gz KDFIGZJASIEXIA-INIZCTEOSA-N 1 3 308.426 -0.105 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817959344 805104831 /nfs/dbraw/zinc/10/48/31/805104831.db2.gz BOFORXAQEUCDFJ-CJNGLKHVSA-N 1 3 306.410 -0.353 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CSCC(=O)N1 ZINC000824827219 805266105 /nfs/dbraw/zinc/26/61/05/805266105.db2.gz YDHFTEPDKDZKEU-RYUDHWBXSA-N 1 3 316.471 -0.394 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CSCC(=O)N1 ZINC000824827219 805266114 /nfs/dbraw/zinc/26/61/14/805266114.db2.gz YDHFTEPDKDZKEU-RYUDHWBXSA-N 1 3 316.471 -0.394 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[C@H]1C[NH3+] ZINC000884560319 807056133 /nfs/dbraw/zinc/05/61/33/807056133.db2.gz UFUFZKFZIRCXQY-YIYPIFLZSA-N 1 3 324.425 -0.981 20 0 DBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000884560339 807056489 /nfs/dbraw/zinc/05/64/89/807056489.db2.gz VARYDNVMBJDUGB-MGPQQGTHSA-N 1 3 324.425 -0.694 20 0 DBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000884612380 807060002 /nfs/dbraw/zinc/06/00/02/807060002.db2.gz KISPKHUUYJYWPU-UHIISALHSA-N 1 3 314.455 -0.512 20 0 DBADHO CCN(C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884623688 807060914 /nfs/dbraw/zinc/06/09/14/807060914.db2.gz LSPRGSPPOXVCOA-JSGCOSHPSA-N 1 3 308.426 -0.037 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884631547 807061473 /nfs/dbraw/zinc/06/14/73/807061473.db2.gz NTYMFQCFCXJHHJ-HZSPNIEDSA-N 1 3 306.410 -0.450 20 0 DBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884786623 807076920 /nfs/dbraw/zinc/07/69/20/807076920.db2.gz TURBAWIBXSPDMR-IHRRRGAJSA-N 1 3 308.426 -0.204 20 0 DBADHO O=C(NC[C@@H]1CCN1C1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000885876035 807110288 /nfs/dbraw/zinc/11/02/88/807110288.db2.gz NFDQHTAYRANMLV-HOTGVXAUSA-N 1 3 322.453 -0.254 20 0 DBADHO O=C(NC[C@@H]1CCN1C1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000885876035 807110293 /nfs/dbraw/zinc/11/02/93/807110293.db2.gz NFDQHTAYRANMLV-HOTGVXAUSA-N 1 3 322.453 -0.254 20 0 DBADHO CCN1CCN(CCNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001326064460 807140744 /nfs/dbraw/zinc/14/07/44/807140744.db2.gz XLXOSAFVPDUNPR-UHFFFAOYSA-N 1 3 323.445 -0.616 20 0 DBADHO [NH3+]CCCCn1cc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)nn1 ZINC001326317438 807169644 /nfs/dbraw/zinc/16/96/44/807169644.db2.gz AIFSXUMGSGHOJG-CHWSQXEVSA-N 1 3 322.413 -0.390 20 0 DBADHO COC[C@H](O)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001326370472 807175218 /nfs/dbraw/zinc/17/52/18/807175218.db2.gz OITLCKLTXFULKN-GXTWGEPZSA-N 1 3 310.398 -0.212 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761874 807203478 /nfs/dbraw/zinc/20/34/78/807203478.db2.gz HVRHZNAEBANEMH-PMPSAXMXSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889761874 807203484 /nfs/dbraw/zinc/20/34/84/807203484.db2.gz HVRHZNAEBANEMH-PMPSAXMXSA-N 1 3 322.453 -0.566 20 0 DBADHO C[NH+](C)CCNC(=S)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC000899664925 807267047 /nfs/dbraw/zinc/26/70/47/807267047.db2.gz UUKQQCRHBDXUJO-CHWSQXEVSA-N 1 3 300.472 -0.047 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000900438147 807300861 /nfs/dbraw/zinc/30/08/61/807300861.db2.gz AISHYDDLTGJHFE-LZWOXQAQSA-N 1 3 311.426 -0.187 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC000900438147 807300870 /nfs/dbraw/zinc/30/08/70/807300870.db2.gz AISHYDDLTGJHFE-LZWOXQAQSA-N 1 3 311.426 -0.187 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900559520 807309573 /nfs/dbraw/zinc/30/95/73/807309573.db2.gz BIORSIFGRPIETQ-UHFFFAOYSA-N 1 3 320.437 -0.151 20 0 DBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CCOC)CC1)N(C)C ZINC001328207020 807392889 /nfs/dbraw/zinc/39/28/89/807392889.db2.gz HERHAJWWAMFGFQ-ZDUSSCGKSA-N 1 3 301.431 -0.084 20 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/nfs/dbraw/zinc/46/86/11/807468611.db2.gz QQLBHUAXBZCREX-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCOCCO)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001328786788 807468619 /nfs/dbraw/zinc/46/86/19/807468619.db2.gz QQLBHUAXBZCREX-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](CO)CN2CCCCC2)C1 ZINC000908118606 807574833 /nfs/dbraw/zinc/57/48/33/807574833.db2.gz NJLNFKSPEYFCMV-ZBFHGGJFSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H](CO)CN2CCCCC2)C1 ZINC000908118606 807574837 /nfs/dbraw/zinc/57/48/37/807574837.db2.gz NJLNFKSPEYFCMV-ZBFHGGJFSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000908540170 807598544 /nfs/dbraw/zinc/59/85/44/807598544.db2.gz GPGBHSACJZDALY-ZBFHGGJFSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000908540170 807598549 /nfs/dbraw/zinc/59/85/49/807598549.db2.gz GPGBHSACJZDALY-ZBFHGGJFSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000908541781 807598664 /nfs/dbraw/zinc/59/86/64/807598664.db2.gz QPKSJUCRKLVWIO-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000908541781 807598670 /nfs/dbraw/zinc/59/86/70/807598670.db2.gz QPKSJUCRKLVWIO-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO O=C(CNC(=O)C12CC[NH+](CC1)C2)NCCN1CCCCC1 ZINC000909314007 807613602 /nfs/dbraw/zinc/61/36/02/807613602.db2.gz XEVVKTGYZITXTM-UHFFFAOYSA-N 1 3 308.426 -0.200 20 0 DBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@H](O)Cn1cccn1 ZINC000923346332 807659842 /nfs/dbraw/zinc/65/98/42/807659842.db2.gz RMRLSLFYWMKOMW-KGLIPLIRSA-N 1 3 309.414 -0.437 20 0 DBADHO O=C1CNCCN1[C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923332062 807660284 /nfs/dbraw/zinc/66/02/84/807660284.db2.gz GQHZZUXNOVAWCM-KBPBESRZSA-N 1 3 308.426 -0.739 20 0 DBADHO CS(=O)(=O)NCC1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923373049 807663049 /nfs/dbraw/zinc/66/30/49/807663049.db2.gz MDYIVWHOEAAIHB-CYBMUJFWSA-N 1 3 317.455 -0.374 20 0 DBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000923414984 807666003 /nfs/dbraw/zinc/66/60/03/807666003.db2.gz OCUDBMFPGIUJDA-DGAVXFQQSA-N 1 3 321.381 -0.889 20 0 DBADHO CSC[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413101 807666569 /nfs/dbraw/zinc/66/65/69/807666569.db2.gz DFWQNMYASWCKBC-KKOKHZNYSA-N 1 3 301.412 -0.423 20 0 DBADHO C[C@@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC[C@H]1C[NH3+] ZINC000923498661 807674066 /nfs/dbraw/zinc/67/40/66/807674066.db2.gz KNMUOULJBMLCDU-HIFRSBDPSA-N 1 3 322.453 -0.016 20 0 DBADHO C[C@@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000923589579 807681858 /nfs/dbraw/zinc/68/18/58/807681858.db2.gz HLGLKTRAUKETDW-OLZOCXBDSA-N 1 3 304.460 -0.154 20 0 DBADHO CCC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923622617 807690935 /nfs/dbraw/zinc/69/09/35/807690935.db2.gz MQINWGCCYDRFDQ-ZDUSSCGKSA-N 1 3 304.460 -0.200 20 0 DBADHO CCC[N@@H+](C)C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923622617 807690941 /nfs/dbraw/zinc/69/09/41/807690941.db2.gz MQINWGCCYDRFDQ-ZDUSSCGKSA-N 1 3 304.460 -0.200 20 0 DBADHO CN1CC[C@@H]2[C@H](CCCN2S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923629790 807692549 /nfs/dbraw/zinc/69/25/49/807692549.db2.gz GSRWSXVOMBSSGT-CHWSQXEVSA-N 1 3 302.444 -0.448 20 0 DBADHO C[NH+](C)CC1CCC(NS(=O)(=O)N2CCNCC2)CC1 ZINC000923629512 807692801 /nfs/dbraw/zinc/69/28/01/807692801.db2.gz APOQINKZIOTRHY-UHFFFAOYSA-N 1 3 304.460 -0.154 20 0 DBADHO [NH3+]Cc1ccc(CNS(=O)(=O)N2CCNCC2)c(F)c1 ZINC000923651163 807696149 /nfs/dbraw/zinc/69/61/49/807696149.db2.gz FJLUKZKPPJAKCJ-UHFFFAOYSA-N 1 3 302.375 -0.476 20 0 DBADHO C[NH+](C)CCC[C@@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923658197 807698711 /nfs/dbraw/zinc/69/87/11/807698711.db2.gz CUYCDALSFYCBAD-CYBMUJFWSA-N 1 3 320.459 -0.821 20 0 DBADHO C[NH+]1CCC2(CCN(S(=O)(=O)N3CCNCC3)CC2)CC1 ZINC000923666874 807699516 /nfs/dbraw/zinc/69/95/16/807699516.db2.gz KQGBQCWWFNXHKH-UHFFFAOYSA-N 1 3 316.471 -0.056 20 0 DBADHO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1C(F)(F)F ZINC000923671211 807700743 /nfs/dbraw/zinc/70/07/43/807700743.db2.gz ONFORNVNEKBSGN-DTWKUNHWSA-N 1 3 316.349 -0.795 20 0 DBADHO O=S(=O)(NCc1ccc(CN2CC[NH2+]CC2)cc1)C1CNC1 ZINC000923678514 807702614 /nfs/dbraw/zinc/70/26/14/807702614.db2.gz YTPOOLOPKJXZDO-UHFFFAOYSA-N 1 3 324.450 -0.517 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(CCN2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000925309048 807734306 /nfs/dbraw/zinc/73/43/06/807734306.db2.gz VPKXMTZLHQXHGQ-GFCCVEGCSA-N 1 3 311.430 -0.506 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(CCN2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000925309048 807734308 /nfs/dbraw/zinc/73/43/08/807734308.db2.gz VPKXMTZLHQXHGQ-GFCCVEGCSA-N 1 3 311.430 -0.506 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(CCN2CCC([NH+](C)C)CC2)C1=O ZINC000925340799 807735517 /nfs/dbraw/zinc/73/55/17/807735517.db2.gz ZZCKBZXFXHIDTJ-ZDUSSCGKSA-N 1 3 311.430 -0.506 20 0 DBADHO CN(CC1CN(C)C1)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC001330666199 807741964 /nfs/dbraw/zinc/74/19/64/807741964.db2.gz PAVQUZSFPYKADF-UHFFFAOYSA-N 1 3 309.414 -0.547 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC[C@H]1C[NH3+] ZINC000926333349 807760682 /nfs/dbraw/zinc/76/06/82/807760682.db2.gz IZGRYIYLEVBGAS-RDBSUJKOSA-N 1 3 308.426 -0.264 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001332132347 807876350 /nfs/dbraw/zinc/87/63/50/807876350.db2.gz UAYDDWMDAUMIKS-RQJABVFESA-N 1 3 306.410 -0.498 20 0 DBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C1 ZINC001333407194 808056443 /nfs/dbraw/zinc/05/64/43/808056443.db2.gz UCFFPKNYRRKSMC-ZOBORPQBSA-N 1 3 324.425 -0.648 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001333543839 808073711 /nfs/dbraw/zinc/07/37/11/808073711.db2.gz SVIRRFHPJUCPHA-ZIAGYGMSSA-N 1 3 324.425 -0.776 20 0 DBADHO C[NH2+]CCN(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001333568547 808076128 /nfs/dbraw/zinc/07/61/28/808076128.db2.gz WTPCGZIRYFSKFQ-CYBMUJFWSA-N 1 3 312.414 -0.966 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946779371 808136725 /nfs/dbraw/zinc/13/67/25/808136725.db2.gz NUOSWIMQMBQRSA-BYNSBNAKSA-N 1 3 322.453 -0.160 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946779371 808136730 /nfs/dbraw/zinc/13/67/30/808136730.db2.gz NUOSWIMQMBQRSA-BYNSBNAKSA-N 1 3 322.453 -0.160 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1)N(C)C ZINC000946784745 808137101 /nfs/dbraw/zinc/13/71/01/808137101.db2.gz RVWNSXDVAMRDSC-MJBXVCDLSA-N 1 3 310.442 -0.018 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1)N(C)C ZINC000946784745 808137104 /nfs/dbraw/zinc/13/71/04/808137104.db2.gz RVWNSXDVAMRDSC-MJBXVCDLSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@@H+]2C2CCOCC2)C1=O ZINC001334388375 808160290 /nfs/dbraw/zinc/16/02/90/808160290.db2.gz BSSYCKXODOSZFB-QWHCGFSZSA-N 1 3 310.398 -0.278 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C2CCOCC2)C1=O ZINC001334388375 808160294 /nfs/dbraw/zinc/16/02/94/808160294.db2.gz BSSYCKXODOSZFB-QWHCGFSZSA-N 1 3 310.398 -0.278 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC/C=C\Cl ZINC001335246586 808264665 /nfs/dbraw/zinc/26/46/65/808264665.db2.gz RUFVZVBVQYMYTF-WAYWQWQTSA-N 1 3 304.822 -0.193 20 0 DBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001335254366 808266795 /nfs/dbraw/zinc/26/67/95/808266795.db2.gz JAMCXQXRMVXHSY-AAEUAGOBSA-N 1 3 312.414 -0.839 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[C@@]43C[NH3+])C[C@@H]21 ZINC001336133156 808346021 /nfs/dbraw/zinc/34/60/21/808346021.db2.gz FKKWBQVJCFHIQP-LMOYCYGVSA-N 1 3 306.410 -0.511 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[NH2+]CCN2C)C[C@@H](C)O1 ZINC001340820468 808657966 /nfs/dbraw/zinc/65/79/66/808657966.db2.gz FUAJSNMWXOJXJH-KFWWJZLASA-N 1 3 312.458 -0.104 20 0 DBADHO CN[C@@H](C(=O)NCCCCC[NH+]1CCNCC1)c1cnn(C)c1 ZINC001341069756 808667742 /nfs/dbraw/zinc/66/77/42/808667742.db2.gz DTJRCYLPVXYUEM-OAHLLOKOSA-N 1 3 322.457 -0.128 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000954319337 809214793 /nfs/dbraw/zinc/21/47/93/809214793.db2.gz IBSSJKYXVFPEOI-ZIAGYGMSSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000954319337 809214797 /nfs/dbraw/zinc/21/47/97/809214797.db2.gz IBSSJKYXVFPEOI-ZIAGYGMSSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)CN2CCCC2)C1 ZINC000954844144 809300958 /nfs/dbraw/zinc/30/09/58/809300958.db2.gz YRHFWLWFDHHQRN-UHFFFAOYSA-N 1 3 320.437 -0.153 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)CC1 ZINC000958555483 809955541 /nfs/dbraw/zinc/95/55/41/809955541.db2.gz KSHOKFYSIRBIAI-LSDHHAIUSA-N 1 3 313.442 -0.492 20 0 DBADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[N@H+](CCO)C[C@@H]1O ZINC000958729279 810014695 /nfs/dbraw/zinc/01/46/95/810014695.db2.gz UKPCYOCAHQQHHS-HOCLYGCPSA-N 1 3 321.421 -0.237 20 0 DBADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@@H]1O ZINC000958729279 810014700 /nfs/dbraw/zinc/01/47/00/810014700.db2.gz UKPCYOCAHQQHHS-HOCLYGCPSA-N 1 3 321.421 -0.237 20 0 DBADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[N@H+](CCO)C[C@H]1O ZINC000958729278 810015031 /nfs/dbraw/zinc/01/50/31/810015031.db2.gz UKPCYOCAHQQHHS-GOEBONIOSA-N 1 3 321.421 -0.237 20 0 DBADHO CN(C)Cc1ccccc1C(=O)NC[C@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958729278 810015035 /nfs/dbraw/zinc/01/50/35/810015035.db2.gz UKPCYOCAHQQHHS-GOEBONIOSA-N 1 3 321.421 -0.237 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC000962311648 810504179 /nfs/dbraw/zinc/50/41/79/810504179.db2.gz XUFASESLQZHGEX-TTZDDIAXSA-N 1 3 318.425 -0.334 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC000962311648 810504186 /nfs/dbraw/zinc/50/41/86/810504186.db2.gz XUFASESLQZHGEX-TTZDDIAXSA-N 1 3 318.425 -0.334 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCCC2)C1 ZINC000967708811 811283960 /nfs/dbraw/zinc/28/39/60/811283960.db2.gz QIORHXKTHQETKA-ZIAGYGMSSA-N 1 3 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ZINC001005740072 812101377 /nfs/dbraw/zinc/10/13/77/812101377.db2.gz DLBNGZAJOUEJCZ-GNHJJJEISA-N 1 3 323.437 -0.235 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001011158983 812850113 /nfs/dbraw/zinc/85/01/13/812850113.db2.gz KICMQCIABRRKDO-GJZGRUSLSA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001011158983 812850122 /nfs/dbraw/zinc/85/01/22/812850122.db2.gz KICMQCIABRRKDO-GJZGRUSLSA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001011158984 812850273 /nfs/dbraw/zinc/85/02/73/812850273.db2.gz KICMQCIABRRKDO-HUUCEWRRSA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC001011158984 812850279 /nfs/dbraw/zinc/85/02/79/812850279.db2.gz KICMQCIABRRKDO-HUUCEWRRSA-N 1 3 322.453 -0.049 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011160293 812851716 /nfs/dbraw/zinc/85/17/16/812851716.db2.gz 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CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001018962979 814032072 /nfs/dbraw/zinc/03/20/72/814032072.db2.gz SOLQYDQJBGJKEG-STQMWFEESA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001019289957 814116476 /nfs/dbraw/zinc/11/64/76/814116476.db2.gz LBBYULXULZGHIZ-XUXIUFHCSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001019289957 814116485 /nfs/dbraw/zinc/11/64/85/814116485.db2.gz LBBYULXULZGHIZ-XUXIUFHCSA-N 1 3 308.426 -0.204 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@H](N[C@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001019337718 814130073 /nfs/dbraw/zinc/13/00/73/814130073.db2.gz XKPDQSJHGQDBDA-MELADBBJSA-N 1 3 310.442 -0.006 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019382699 814146975 /nfs/dbraw/zinc/14/69/75/814146975.db2.gz HKAQHIGCGBAJDR-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019382699 814146982 /nfs/dbraw/zinc/14/69/82/814146982.db2.gz HKAQHIGCGBAJDR-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019438429 814156069 /nfs/dbraw/zinc/15/60/69/814156069.db2.gz MFYDYUMRZVRMNQ-NSHDSACASA-N 1 3 306.370 -0.832 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001030021671 814393360 /nfs/dbraw/zinc/39/33/60/814393360.db2.gz WPBHJRLJGMYVMG-AVGNSLFASA-N 1 3 324.425 -0.288 20 0 DBADHO C[C@H](O)CN1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084608 814409098 /nfs/dbraw/zinc/40/90/98/814409098.db2.gz HZSRABJVEYMRKQ-UONOGXRCSA-N 1 3 323.441 -0.028 20 0 DBADHO C[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084609 814409347 /nfs/dbraw/zinc/40/93/47/814409347.db2.gz HZSRABJVEYMRKQ-ZIAGYGMSSA-N 1 3 323.441 -0.028 20 0 DBADHO CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)[C@H]1CCN(CCO)C1 ZINC001033278490 814461773 /nfs/dbraw/zinc/46/17/73/814461773.db2.gz PFKTULIORQSWIQ-IOSBVQAASA-N 1 3 309.410 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/nfs/dbraw/zinc/61/63/68/816616368.db2.gz QYBAXPKYWMMFIU-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046010267 816719238 /nfs/dbraw/zinc/71/92/38/816719238.db2.gz JZAXRAOCSVLQBA-LSDHHAIUSA-N 1 3 310.442 -0.709 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046010267 816719242 /nfs/dbraw/zinc/71/92/42/816719242.db2.gz JZAXRAOCSVLQBA-LSDHHAIUSA-N 1 3 310.442 -0.709 20 0 DBADHO O=C(CN1CCCC1)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046082515 816754424 /nfs/dbraw/zinc/75/44/24/816754424.db2.gz SSESACQYEJBHQO-MRXNPFEDSA-N 1 3 324.469 -0.317 20 0 DBADHO O=C(CN1CCCC1)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046082515 816754427 /nfs/dbraw/zinc/75/44/27/816754427.db2.gz SSESACQYEJBHQO-MRXNPFEDSA-N 1 3 324.469 -0.317 20 0 DBADHO C[C@]1(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+](CCCO)C1 ZINC001046493455 816863830 /nfs/dbraw/zinc/86/38/30/816863830.db2.gz VUFNPARRWLLLBT-BYLPVYNFSA-N 1 3 323.437 -0.187 20 0 DBADHO C[C@]1(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+](CCCO)C1 ZINC001046493455 816863836 /nfs/dbraw/zinc/86/38/36/816863836.db2.gz VUFNPARRWLLLBT-BYLPVYNFSA-N 1 3 323.437 -0.187 20 0 DBADHO COCCN1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001047576635 817211684 /nfs/dbraw/zinc/21/16/84/817211684.db2.gz BBBURCUMGYMAIA-GJZGRUSLSA-N 1 3 313.442 -0.132 20 0 DBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863896 817464930 /nfs/dbraw/zinc/46/49/30/817464930.db2.gz OLOGYDHMTWVEEI-BARDWOONSA-N 1 3 320.437 -0.395 20 0 DBADHO CN(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)C1CC1 ZINC001048863896 817464938 /nfs/dbraw/zinc/46/49/38/817464938.db2.gz OLOGYDHMTWVEEI-BARDWOONSA-N 1 3 320.437 -0.395 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049024864 817513535 /nfs/dbraw/zinc/51/35/35/817513535.db2.gz GFTSKBLYGCMOAG-ZNMIVQPWSA-N 1 3 322.453 -0.018 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049057162 817519759 /nfs/dbraw/zinc/51/97/59/817519759.db2.gz AWEPAIVBVQFOQB-XQLPTFJDSA-N 1 3 322.453 -0.018 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049057162 817519762 /nfs/dbraw/zinc/51/97/62/817519762.db2.gz AWEPAIVBVQFOQB-XQLPTFJDSA-N 1 3 322.453 -0.018 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049057160 817519803 /nfs/dbraw/zinc/51/98/03/817519803.db2.gz AWEPAIVBVQFOQB-BYNSBNAKSA-N 1 3 322.453 -0.018 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049057160 817519806 /nfs/dbraw/zinc/51/98/06/817519806.db2.gz AWEPAIVBVQFOQB-BYNSBNAKSA-N 1 3 322.453 -0.018 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001054296977 818100923 /nfs/dbraw/zinc/10/09/23/818100923.db2.gz YXIWWGHGPWOKCG-MGPQQGTHSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001054298444 818101281 /nfs/dbraw/zinc/10/12/81/818101281.db2.gz WPBHJRLJGMYVMG-AGIUHOORSA-N 1 3 324.425 -0.288 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001055456207 818239274 /nfs/dbraw/zinc/23/92/74/818239274.db2.gz IEBLVOGKCNXDHA-BETUJISGSA-N 1 3 319.409 -0.179 20 0 DBADHO CC(C)N(C)CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709110 819030052 /nfs/dbraw/zinc/03/00/52/819030052.db2.gz HQPGMIGGZWJRMP-UHFFFAOYSA-N 1 3 316.446 -0.785 20 0 DBADHO O=C(NC[C@H]1CN(CCO)CCCO1)C12CCC[NH+]1CCC2 ZINC001073677567 821205732 /nfs/dbraw/zinc/20/57/32/821205732.db2.gz KTRYPHFCNDENLR-AWEZNQCLSA-N 1 3 311.426 -0.186 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074564754 821387935 /nfs/dbraw/zinc/38/79/35/821387935.db2.gz AIJTUAUOYDSSBR-MELADBBJSA-N 1 3 323.441 -0.315 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CCn2cncn2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074564853 821388027 /nfs/dbraw/zinc/38/80/27/821388027.db2.gz HBBLJEJBXSTHHU-IHRRRGAJSA-N 1 3 306.414 -0.049 20 0 DBADHO C[C@H]1[C@@H]([NH2+][C@H]2CCCNC2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074792901 821438166 /nfs/dbraw/zinc/43/81/66/821438166.db2.gz CVYUYUIMMZYBAL-XDQVBPFNSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001074851399 821449998 /nfs/dbraw/zinc/44/99/98/821449998.db2.gz XRMZGPWETWWYKE-FPMFFAJLSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N1CCC1 ZINC001082520522 824447075 /nfs/dbraw/zinc/44/70/75/824447075.db2.gz CCTCAWZNLPHLNY-KBUPBQIOSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N1CCC1 ZINC001082520522 824447080 /nfs/dbraw/zinc/44/70/80/824447080.db2.gz CCTCAWZNLPHLNY-KBUPBQIOSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082559359 824450005 /nfs/dbraw/zinc/45/00/05/824450005.db2.gz 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O=C(N[C@@H]1CN(CC[C@H]2CCOC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959368 824842964 /nfs/dbraw/zinc/84/29/64/824842964.db2.gz SWWPLHVPYLIETQ-ZNMIVQPWSA-N 1 3 323.437 -0.330 20 0 DBADHO COC[C@H](C)[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001083961687 824843276 /nfs/dbraw/zinc/84/32/76/824843276.db2.gz DYTYWSFSABCWCZ-LNSITVRQSA-N 1 3 322.409 -0.043 20 0 DBADHO COC[C@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001083961687 824843280 /nfs/dbraw/zinc/84/32/80/824843280.db2.gz DYTYWSFSABCWCZ-LNSITVRQSA-N 1 3 322.409 -0.043 20 0 DBADHO C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086432603 825257556 /nfs/dbraw/zinc/25/75/56/825257556.db2.gz ZURLZJSKJFOYFW-JWIOWFJXSA-N 1 3 323.437 -0.285 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001086478080 825272480 /nfs/dbraw/zinc/27/24/80/825272480.db2.gz HGHSETAAHFULLK-RGCMKSIDSA-N 1 3 320.441 -0.003 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001086478080 825272488 /nfs/dbraw/zinc/27/24/88/825272488.db2.gz HGHSETAAHFULLK-RGCMKSIDSA-N 1 3 320.441 -0.003 20 0 DBADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@@H+]1CCO ZINC001087665199 825350590 /nfs/dbraw/zinc/35/05/90/825350590.db2.gz BQWYZKSLRGHVQW-HJTLVLNNSA-N 1 3 323.437 -0.189 20 0 DBADHO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC[N@H+]1CCO ZINC001087665199 825350597 /nfs/dbraw/zinc/35/05/97/825350597.db2.gz BQWYZKSLRGHVQW-HJTLVLNNSA-N 1 3 323.437 -0.189 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001114996702 828773305 /nfs/dbraw/zinc/77/33/05/828773305.db2.gz CVDZCNKHGCBMNX-NHAGDIPZSA-N 1 3 306.414 -0.334 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001114996702 828773309 /nfs/dbraw/zinc/77/33/09/828773309.db2.gz CVDZCNKHGCBMNX-NHAGDIPZSA-N 1 3 306.414 -0.334 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115159208 828795192 /nfs/dbraw/zinc/79/51/92/828795192.db2.gz GCXGIDLNJJRRIY-OZTPJHRESA-N 1 3 322.409 -0.820 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115159208 828795199 /nfs/dbraw/zinc/79/51/99/828795199.db2.gz GCXGIDLNJJRRIY-OZTPJHRESA-N 1 3 322.409 -0.820 20 0 DBADHO CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090639061 825772302 /nfs/dbraw/zinc/77/23/02/825772302.db2.gz VCPWMEFDKNAWHM-ZIAGYGMSSA-N 1 3 309.414 -0.370 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001115303421 828825646 /nfs/dbraw/zinc/82/56/46/828825646.db2.gz CNVBUJLCVDQUGN-SFDCQRBFSA-N 1 3 308.426 -0.348 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001115303421 828825654 /nfs/dbraw/zinc/82/56/54/828825654.db2.gz CNVBUJLCVDQUGN-SFDCQRBFSA-N 1 3 308.426 -0.348 20 0 DBADHO Cn1nncc1CNC1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001091326567 825951946 /nfs/dbraw/zinc/95/19/46/825951946.db2.gz UZRIGKJHUPTTJE-UHFFFAOYSA-N 1 3 318.425 -0.105 20 0 DBADHO Cn1nncc1CNC1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001091364240 825955953 /nfs/dbraw/zinc/95/59/53/825955953.db2.gz AHHQWGMYHRBWGD-CPCZMJQVSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CNC1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001091364240 825955957 /nfs/dbraw/zinc/95/59/57/825955957.db2.gz AHHQWGMYHRBWGD-CPCZMJQVSA-N 1 3 306.414 -0.249 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001161232996 832993105 /nfs/dbraw/zinc/99/31/05/832993105.db2.gz MVMKUZUNDWAONI-JTQLQIEISA-N 1 3 315.418 -0.604 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001161232997 832993543 /nfs/dbraw/zinc/99/35/43/832993543.db2.gz MVMKUZUNDWAONI-SNVBAGLBSA-N 1 3 315.418 -0.604 20 0 DBADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161239250 832994920 /nfs/dbraw/zinc/99/49/20/832994920.db2.gz YNEYRTXFDDNJFZ-OLZOCXBDSA-N 1 3 324.425 -0.824 20 0 DBADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161239250 832994928 /nfs/dbraw/zinc/99/49/28/832994928.db2.gz YNEYRTXFDDNJFZ-OLZOCXBDSA-N 1 3 324.425 -0.824 20 0 DBADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161270011 832997045 /nfs/dbraw/zinc/99/70/45/832997045.db2.gz GTGCGBANHMCKIO-ZIAGYGMSSA-N 1 3 308.426 -0.012 20 0 DBADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161270011 832997048 /nfs/dbraw/zinc/99/70/48/832997048.db2.gz GTGCGBANHMCKIO-ZIAGYGMSSA-N 1 3 308.426 -0.012 20 0 DBADHO Cc1ccnc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)n1 ZINC001161298455 833000086 /nfs/dbraw/zinc/00/00/86/833000086.db2.gz MJFRHUQCFMHVHS-ZDUSSCGKSA-N 1 3 316.409 -0.757 20 0 DBADHO Cc1ccnc(N2CCN(C(=O)[C@@H](N)CSCC[NH3+])CC2)n1 ZINC001161304059 833001368 /nfs/dbraw/zinc/00/13/68/833001368.db2.gz UCRJIOWEKFUOSP-LBPRGKRZSA-N 1 3 324.454 -0.547 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161381798 833011005 /nfs/dbraw/zinc/01/10/05/833011005.db2.gz QBBJYDQZUIQJEH-UONOGXRCSA-N 1 3 307.398 -0.397 20 0 DBADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)c3[nH]nc4c3CNCC4)C2)CC1 ZINC001161381934 833011471 /nfs/dbraw/zinc/01/14/71/833011471.db2.gz RVNYBLBCEMQQNF-GFCCVEGCSA-N 1 3 318.425 -0.307 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)N2C[C@@H]([NH3+])C3(COC3)C2)cn1 ZINC001161498945 833028743 /nfs/dbraw/zinc/02/87/43/833028743.db2.gz CWKFOGWCJSQMLP-NWDGAFQWSA-N 1 3 306.366 -0.334 20 0 DBADHO CCCCOC(=O)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161460660 833020626 /nfs/dbraw/zinc/02/06/26/833020626.db2.gz MQLARZQBKOTADQ-OLZOCXBDSA-N 1 3 309.410 -0.013 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H]1C[C@@H](F)CCN1)CC2 ZINC001161479665 833023615 /nfs/dbraw/zinc/02/36/15/833023615.db2.gz QNTSPWALOQJLAD-JUFZMCDQSA-N 1 3 313.373 -0.170 20 0 DBADHO CNC(=O)CN1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274073987 833024554 /nfs/dbraw/zinc/02/45/54/833024554.db2.gz RJKBIJAICGOJHV-HNNXBMFYSA-N 1 3 310.398 -0.865 20 0 DBADHO CN1C(=O)CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC[C@@H]21 ZINC001161484915 833024847 /nfs/dbraw/zinc/02/48/47/833024847.db2.gz YUCSEUSIQVYTMP-QDEZUTFSSA-N 1 3 320.437 -0.345 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)CC[C@H]21 ZINC001161484523 833025240 /nfs/dbraw/zinc/02/52/40/833025240.db2.gz WMNXMFTVFZPKAY-UMVBOHGHSA-N 1 3 308.426 -0.217 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)CC[C@@H]21 ZINC001161484520 833025342 /nfs/dbraw/zinc/02/53/42/833025342.db2.gz WMNXMFTVFZPKAY-IPYPFGDCSA-N 1 3 308.426 -0.217 20 0 DBADHO N[C@H](C(=O)N1C[C@@H]([NH3+])C2(COC2)C1)C1Cc2ccccc2C1 ZINC001161509300 833028671 /nfs/dbraw/zinc/02/86/71/833028671.db2.gz IYVRZHDZTDNWMH-CABCVRRESA-N 1 3 301.390 -0.085 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161511059 833029975 /nfs/dbraw/zinc/02/99/75/833029975.db2.gz VTABZNOLUDYKCP-QWRGUYRKSA-N 1 3 313.398 -0.508 20 0 DBADHO C[NH+]1CC2(CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)C2)C1 ZINC001161531887 833032865 /nfs/dbraw/zinc/03/28/65/833032865.db2.gz LBYKZSARYNHMST-NSHDSACASA-N 1 3 312.414 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/nfs/dbraw/zinc/76/04/49/826760449.db2.gz RXQMIPKZXLBRGR-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099986980 826760746 /nfs/dbraw/zinc/76/07/46/826760746.db2.gz RXQMIPKZXLBRGR-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](CCCOC)C[C@@H]1O ZINC001100041230 826790011 /nfs/dbraw/zinc/79/00/11/826790011.db2.gz GIJZFRRMUZNNGJ-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001100041230 826790015 /nfs/dbraw/zinc/79/00/15/826790015.db2.gz GIJZFRRMUZNNGJ-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073255 826822486 /nfs/dbraw/zinc/82/24/86/826822486.db2.gz AXUHPOCRNDBOSK-KGLIPLIRSA-N 1 3 311.426 -0.330 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073257 826823595 /nfs/dbraw/zinc/82/35/95/826823595.db2.gz AXUHPOCRNDBOSK-ZIAGYGMSSA-N 1 3 311.426 -0.330 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCOC)C[C@H]1O ZINC001100080870 826834537 /nfs/dbraw/zinc/83/45/37/826834537.db2.gz NNHVAVJENPINKA-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001100080870 826834552 /nfs/dbraw/zinc/83/45/52/826834552.db2.gz NNHVAVJENPINKA-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100082922 826837364 /nfs/dbraw/zinc/83/73/64/826837364.db2.gz KCAQKLMVXLIFAF-UONOGXRCSA-N 1 3 301.431 -0.348 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100082922 826837377 /nfs/dbraw/zinc/83/73/77/826837377.db2.gz KCAQKLMVXLIFAF-UONOGXRCSA-N 1 3 301.431 -0.348 20 0 DBADHO COC[C@H](C)[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872019 833121737 /nfs/dbraw/zinc/12/17/37/833121737.db2.gz DFNGKCLGSHGRRB-PGOFDVKTSA-N 1 3 311.426 -0.020 20 0 DBADHO CC[C@H](C(=O)NCC1CC([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001100442605 826965870 /nfs/dbraw/zinc/96/58/70/826965870.db2.gz 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CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101477222 827109946 /nfs/dbraw/zinc/10/99/46/827109946.db2.gz IZWGGXUIKVQCTM-KEYYUXOJSA-N 1 3 322.453 -0.005 20 0 DBADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@@H]4CCC(=O)N4)CC3)[C@H]2C1 ZINC001275187476 833157163 /nfs/dbraw/zinc/15/71/63/833157163.db2.gz QOBMIUWRIAELSO-AVGNSLFASA-N 1 3 306.410 -0.593 20 0 DBADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@@H]4CCC(=O)N4)CC3)[C@H]2C1 ZINC001275187476 833157165 /nfs/dbraw/zinc/15/71/65/833157165.db2.gz QOBMIUWRIAELSO-AVGNSLFASA-N 1 3 306.410 -0.593 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001102601397 827231350 /nfs/dbraw/zinc/23/13/50/827231350.db2.gz BGDDRZVLJMWOCR-MGPQQGTHSA-N 1 3 310.442 -0.101 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001102601397 827231353 /nfs/dbraw/zinc/23/13/53/827231353.db2.gz BGDDRZVLJMWOCR-MGPQQGTHSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C12CC[NH+](CC1)C2 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DBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001166010956 833263500 /nfs/dbraw/zinc/26/35/00/833263500.db2.gz XLGJWCGCJDMJSF-WCQYABFASA-N 1 3 312.414 -0.526 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001166626671 833276566 /nfs/dbraw/zinc/27/65/66/833276566.db2.gz IXENKFDAJMGRGF-RYUDHWBXSA-N 1 3 310.398 -0.628 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001166677628 833277591 /nfs/dbraw/zinc/27/75/91/833277591.db2.gz KZCAOOKOALENLY-LSDHHAIUSA-N 1 3 323.441 -0.318 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001166677627 833277603 /nfs/dbraw/zinc/27/76/03/833277603.db2.gz KZCAOOKOALENLY-HUUCEWRRSA-N 1 3 323.441 -0.318 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001166858344 833283718 /nfs/dbraw/zinc/28/37/18/833283718.db2.gz QMUMFYBTKAKXFB-OLZOCXBDSA-N 1 3 319.471 -0.143 20 0 DBADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982751 828146700 /nfs/dbraw/zinc/14/67/00/828146700.db2.gz QBDWHOUQUSIELD-KBXIAJHMSA-N 1 3 323.437 -0.189 20 0 DBADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109982752 828146850 /nfs/dbraw/zinc/14/68/50/828146850.db2.gz QBDWHOUQUSIELD-QPSCCSFWSA-N 1 3 323.437 -0.189 20 0 DBADHO Cc1cc(NC(=N)NCCCC[NH3+])nc(S(C)(=O)=O)n1 ZINC001167884181 833312509 /nfs/dbraw/zinc/31/25/09/833312509.db2.gz SHCDIYPRRCQMLT-UHFFFAOYSA-N 1 3 300.388 -0.136 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001168756413 833328057 /nfs/dbraw/zinc/32/80/57/833328057.db2.gz YCNUPLBUHCHYHI-UHFFFAOYSA-N 1 3 322.475 -0.685 20 0 DBADHO CC[NH+]1CCC(NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC001169230567 833336255 /nfs/dbraw/zinc/33/62/55/833336255.db2.gz GENDTSMASUJBFE-UHFFFAOYSA-N 1 3 318.487 -0.363 20 0 DBADHO CC[NH2+]CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118488096 829091462 /nfs/dbraw/zinc/09/14/62/829091462.db2.gz ZLJPFKFJVRTFLV-ZDUSSCGKSA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001118487805 829091802 /nfs/dbraw/zinc/09/18/02/829091802.db2.gz XCKKODDCJHWTLF-ZIAGYGMSSA-N 1 3 324.425 -0.776 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001171762594 833374614 /nfs/dbraw/zinc/37/46/14/833374614.db2.gz HMTYUJGJRBCJAV-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001120435309 829372591 /nfs/dbraw/zinc/37/25/91/829372591.db2.gz IDANLPQNZZVBJR-KWCYVHTRSA-N 1 3 324.425 -0.920 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)on1 ZINC001176071609 833400086 /nfs/dbraw/zinc/40/00/86/833400086.db2.gz GSFKEFCVLOSNMI-LBPRGKRZSA-N 1 3 323.397 -0.031 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)on1 ZINC001176071609 833400088 /nfs/dbraw/zinc/40/00/88/833400088.db2.gz GSFKEFCVLOSNMI-LBPRGKRZSA-N 1 3 323.397 -0.031 20 0 DBADHO O=C(C[NH2+]CCCNC(=O)CN1CCCC1)Nc1ccon1 ZINC001176118642 833400941 /nfs/dbraw/zinc/40/09/41/833400941.db2.gz 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ZINC001127255703 829995950 /nfs/dbraw/zinc/99/59/50/829995950.db2.gz KYJAYTZUHVVRGT-JSGCOSHPSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)NC1CC1 ZINC001127255703 829995955 /nfs/dbraw/zinc/99/59/55/829995955.db2.gz KYJAYTZUHVVRGT-JSGCOSHPSA-N 1 3 308.426 -0.155 20 0 DBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474711 830013785 /nfs/dbraw/zinc/01/37/85/830013785.db2.gz OETOSRFJNVWIOD-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466671 830013796 /nfs/dbraw/zinc/01/37/96/830013796.db2.gz ZNYKJVDDFLTQNW-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)CNC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481649 830014488 /nfs/dbraw/zinc/01/44/88/830014488.db2.gz WAVRGKMGLCFGAS-CQSZACIVSA-N 1 3 310.442 -0.194 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H]1CCN(C)C1=O ZINC001128545177 830096784 /nfs/dbraw/zinc/09/67/84/830096784.db2.gz VPQXACDCDIWDPD-NEPJUHHUSA-N 1 3 302.394 -0.397 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC ZINC001128773873 830129317 /nfs/dbraw/zinc/12/93/17/830129317.db2.gz HIZOSHLJPNDPJV-LLVKDONJSA-N 1 3 313.402 -0.978 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCC(=O)NC(=O)NC ZINC001128773873 830129323 /nfs/dbraw/zinc/12/93/23/830129323.db2.gz HIZOSHLJPNDPJV-LLVKDONJSA-N 1 3 313.402 -0.978 20 0 DBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001129340102 830173750 /nfs/dbraw/zinc/17/37/50/830173750.db2.gz KUBNPFKSXSPOCS-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001129340102 830173752 /nfs/dbraw/zinc/17/37/52/830173752.db2.gz KUBNPFKSXSPOCS-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364505 830175658 /nfs/dbraw/zinc/17/56/58/830175658.db2.gz VRYFIEOJGPLQNY-KBPBESRZSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(NCCN[C@H]1CCNC1=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364505 830175663 /nfs/dbraw/zinc/17/56/63/830175663.db2.gz VRYFIEOJGPLQNY-KBPBESRZSA-N 1 3 324.425 -0.776 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129363497 830176071 /nfs/dbraw/zinc/17/60/71/830176071.db2.gz HVPXXSUSYNGSRH-DGCLKSJQSA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(N)=O ZINC001129363497 830176079 /nfs/dbraw/zinc/17/60/79/830176079.db2.gz HVPXXSUSYNGSRH-DGCLKSJQSA-N 1 3 312.414 -0.791 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435264 830180593 /nfs/dbraw/zinc/18/05/93/830180593.db2.gz DGPQQRCEVAEYGC-CQSZACIVSA-N 1 3 314.430 -0.815 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435263 830181111 /nfs/dbraw/zinc/18/11/11/830181111.db2.gz DGPQQRCEVAEYGC-AWEZNQCLSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001129442781 830181629 /nfs/dbraw/zinc/18/16/29/830181629.db2.gz GCQMATJDFYUHJJ-LBPRGKRZSA-N 1 3 305.444 -0.533 20 0 DBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCNCCNS(C)(=O)=O ZINC001129840994 830217344 /nfs/dbraw/zinc/21/73/44/830217344.db2.gz LAFSYXPBTRFAMU-GFCCVEGCSA-N 1 3 320.459 -0.884 20 0 DBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCNCCNS(C)(=O)=O ZINC001129840994 830217349 /nfs/dbraw/zinc/21/73/49/830217349.db2.gz LAFSYXPBTRFAMU-GFCCVEGCSA-N 1 3 320.459 -0.884 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001129856872 830219000 /nfs/dbraw/zinc/21/90/00/830219000.db2.gz ZHMQQOXCHNTDKF-NSHDSACASA-N 1 3 313.402 -0.978 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129856872 830219006 /nfs/dbraw/zinc/21/90/06/830219006.db2.gz ZHMQQOXCHNTDKF-NSHDSACASA-N 1 3 313.402 -0.978 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001129950382 830233046 /nfs/dbraw/zinc/23/30/46/830233046.db2.gz RLDQLFJFLVIQEF-OLZOCXBDSA-N 1 3 319.471 -0.287 20 0 DBADHO COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122974 830267673 /nfs/dbraw/zinc/26/76/73/830267673.db2.gz FMRBVUKELALAQY-MJBXVCDLSA-N 1 3 322.413 -0.782 20 0 DBADHO COCCN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122974 830267682 /nfs/dbraw/zinc/26/76/82/830267682.db2.gz FMRBVUKELALAQY-MJBXVCDLSA-N 1 3 322.413 -0.782 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)N(C)C ZINC001130203613 830281723 /nfs/dbraw/zinc/28/17/23/830281723.db2.gz QXEYBQOUSVUJDY-CYBMUJFWSA-N 1 3 302.419 -0.815 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C ZINC001130204819 830282268 /nfs/dbraw/zinc/28/22/68/830282268.db2.gz AJFPDZAYAAIDLH-NWDGAFQWSA-N 1 3 307.460 -0.287 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)N(C)C ZINC001130203858 830282671 /nfs/dbraw/zinc/28/26/71/830282671.db2.gz ZUMNUCZXANZAGD-QWHCGFSZSA-N 1 3 305.419 -0.944 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419077 830319502 /nfs/dbraw/zinc/31/95/02/830319502.db2.gz KHEJGDAIHXBNMF-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419077 830319509 /nfs/dbraw/zinc/31/95/09/830319509.db2.gz KHEJGDAIHXBNMF-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO CC[C@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)C(N)=O ZINC001130558934 830341208 /nfs/dbraw/zinc/34/12/08/830341208.db2.gz VZBDCPBIZLESCZ-ZDUSSCGKSA-N 1 3 307.398 -0.122 20 0 DBADHO CC[C@@H](NCCNC(=O)CCN(C)c1cc[nH+]cc1)C(N)=O ZINC001130558933 830341235 /nfs/dbraw/zinc/34/12/35/830341235.db2.gz VZBDCPBIZLESCZ-CYBMUJFWSA-N 1 3 307.398 -0.122 20 0 DBADHO CN(C)C(=O)CNCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556535 830341520 /nfs/dbraw/zinc/34/15/20/830341520.db2.gz LZEYGFJYPBYEOR-UHFFFAOYSA-N 1 3 307.398 -0.298 20 0 DBADHO CN(CCC(=O)NCCNCC(=O)N1CCC1)c1cc[nH+]cc1 ZINC001130556560 830341742 /nfs/dbraw/zinc/34/17/42/830341742.db2.gz NBDWWNSIJBYRSX-UHFFFAOYSA-N 1 3 319.409 -0.154 20 0 DBADHO O=C(NCC[NH2+]CCOCC1CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521800 830479560 /nfs/dbraw/zinc/47/95/60/830479560.db2.gz IAHDGSBRFOOSIS-CKDBGZEDSA-N 1 3 323.437 -0.018 20 0 DBADHO CC[C@@H](C[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)OC ZINC001131522159 830480389 /nfs/dbraw/zinc/48/03/89/830480389.db2.gz URYRIPZIACYGTD-WJEHIRDRSA-N 1 3 311.426 -0.020 20 0 DBADHO CCOCCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131522193 830480676 /nfs/dbraw/zinc/48/06/76/830480676.db2.gz WCSWUSFODLTNNP-NPCAHTBFSA-N 1 3 311.426 -0.018 20 0 DBADHO COCCCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131522177 830481217 /nfs/dbraw/zinc/48/12/17/830481217.db2.gz VNXHYFUQRXMCCU-NPCAHTBFSA-N 1 3 311.426 -0.018 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133040297 830735919 /nfs/dbraw/zinc/73/59/19/830735919.db2.gz KMVIXVIXKXZJQI-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO CC(C)NC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291107 830764390 /nfs/dbraw/zinc/76/43/90/830764390.db2.gz JUGVDLHFYBXSFB-LLVKDONJSA-N 1 3 315.418 -0.733 20 0 DBADHO CN(Cc1cnn(C)c1)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291654 830764419 /nfs/dbraw/zinc/76/44/19/830764419.db2.gz UUPOLJXADRKKGF-UHFFFAOYSA-N 1 3 324.429 -0.964 20 0 DBADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001133294496 830764574 /nfs/dbraw/zinc/76/45/74/830764574.db2.gz KXLUYHBXPGHLPE-SNVBAGLBSA-N 1 3 313.402 -0.979 20 0 DBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001133419538 830774106 /nfs/dbraw/zinc/77/41/06/830774106.db2.gz RLDQLFJFLVIQEF-CHWSQXEVSA-N 1 3 319.471 -0.287 20 0 DBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001133434638 830775296 /nfs/dbraw/zinc/77/52/96/830775296.db2.gz WLMIWVQPZVRZMP-CQSZACIVSA-N 1 3 312.414 -0.573 20 0 DBADHO CC[C@H](C(=O)NCCNCC(=O)NC(N)=O)[NH+](CC)CC ZINC001133684981 830808865 /nfs/dbraw/zinc/80/88/65/830808865.db2.gz OFSYFXPLUUJNPG-SNVBAGLBSA-N 1 3 301.391 -0.993 20 0 DBADHO CC[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[NH+](CC)CC ZINC001133690071 830810834 /nfs/dbraw/zinc/81/08/34/830810834.db2.gz HMSXWJZYKOLOPZ-QWRGUYRKSA-N 1 3 315.418 -0.604 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001133824164 830831683 /nfs/dbraw/zinc/83/16/83/830831683.db2.gz ZSINOROWHTZXHG-STQMWFEESA-N 1 3 306.414 -0.045 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133823674 830831860 /nfs/dbraw/zinc/83/18/60/830831860.db2.gz LWHORUDARYERDI-ZDUSSCGKSA-N 1 3 313.446 -0.116 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001133849664 830837188 /nfs/dbraw/zinc/83/71/88/830837188.db2.gz BMPGFQHYVWOGAZ-CHWSQXEVSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001133849664 830837196 /nfs/dbraw/zinc/83/71/96/830837196.db2.gz BMPGFQHYVWOGAZ-CHWSQXEVSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001133845926 830837502 /nfs/dbraw/zinc/83/75/02/830837502.db2.gz QCSMQMWZXPQEBP-CHWSQXEVSA-N 1 3 306.414 -0.187 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCc3ncnn32)C1 ZINC001133845928 830837685 /nfs/dbraw/zinc/83/76/85/830837685.db2.gz QCSMQMWZXPQEBP-QWHCGFSZSA-N 1 3 306.414 -0.187 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001133846362 830838101 /nfs/dbraw/zinc/83/81/01/830838101.db2.gz ZJXVFUNSJKBIFE-CYBMUJFWSA-N 1 3 322.409 -0.057 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001133846362 830838108 /nfs/dbraw/zinc/83/81/08/830838108.db2.gz ZJXVFUNSJKBIFE-CYBMUJFWSA-N 1 3 322.409 -0.057 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133853291 830839386 /nfs/dbraw/zinc/83/93/86/830839386.db2.gz ICECEZNXYJLPEI-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133853291 830839393 /nfs/dbraw/zinc/83/93/93/830839393.db2.gz ICECEZNXYJLPEI-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001133851248 830840099 /nfs/dbraw/zinc/84/00/99/830840099.db2.gz ZXHJIKGKDGAXRI-ZIAGYGMSSA-N 1 3 309.414 -0.708 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133866053 830843410 /nfs/dbraw/zinc/84/34/10/830843410.db2.gz GYHZOEQSXBLRPJ-VHSXEESVSA-N 1 3 324.347 -0.432 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133866053 830843418 /nfs/dbraw/zinc/84/34/18/830843418.db2.gz GYHZOEQSXBLRPJ-VHSXEESVSA-N 1 3 324.347 -0.432 20 0 DBADHO CN(CC(=O)NCC[NH2+]CCN1CCNC1=O)CC(C)(C)C ZINC001133905961 830852428 /nfs/dbraw/zinc/85/24/28/830852428.db2.gz LAZTWPKTRWZAMG-UHFFFAOYSA-N 1 3 313.446 -0.305 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133983032 830869931 /nfs/dbraw/zinc/86/99/31/830869931.db2.gz VWBRIZSHFZGJNR-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO Cn1cncc1CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114572 831011549 /nfs/dbraw/zinc/01/15/49/831011549.db2.gz HOHDAMAJWYWIDU-UHFFFAOYSA-N 1 3 319.413 -0.302 20 0 DBADHO CC[C@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135118722 831012595 /nfs/dbraw/zinc/01/25/95/831012595.db2.gz QXWVQLHBWJFKEN-LBPRGKRZSA-N 1 3 310.402 -0.972 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623002 833683785 /nfs/dbraw/zinc/68/37/85/833683785.db2.gz AVKKLSYTLTVULI-ZIAGYGMSSA-N 1 3 308.426 -0.393 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(CC)CC ZINC001135508608 831079134 /nfs/dbraw/zinc/07/91/34/831079134.db2.gz SUCDEQNTXKLIBT-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO C[C@@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001135963264 831142006 /nfs/dbraw/zinc/14/20/06/831142006.db2.gz DCOJYBCBZCTFBR-GFCCVEGCSA-N 1 3 314.430 -0.720 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001142899006 831221214 /nfs/dbraw/zinc/22/12/14/831221214.db2.gz UCESXUGGVWOGNS-GFCCVEGCSA-N 1 3 307.398 -0.036 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001142899006 831221217 /nfs/dbraw/zinc/22/12/17/831221217.db2.gz UCESXUGGVWOGNS-GFCCVEGCSA-N 1 3 307.398 -0.036 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146592338 831286341 /nfs/dbraw/zinc/28/63/41/831286341.db2.gz JUZUHPURJBFTNV-WDEREUQCSA-N 1 3 315.418 -0.606 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001146718431 831292912 /nfs/dbraw/zinc/29/29/12/831292912.db2.gz BBTAGIUHBNDZQF-UHFFFAOYSA-N 1 3 320.459 -0.931 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001146718431 831292916 /nfs/dbraw/zinc/29/29/16/831292916.db2.gz BBTAGIUHBNDZQF-UHFFFAOYSA-N 1 3 320.459 -0.931 20 0 DBADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001185213171 833783229 /nfs/dbraw/zinc/78/32/29/833783229.db2.gz HLJKCGKNWXVBCZ-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)C(=O)CN1C[C@H]2CN(CC3CC[NH2+]CC3)C[C@@H](C1)O2 ZINC001276713475 833452667 /nfs/dbraw/zinc/45/26/67/833452667.db2.gz GRUNBBBDSDSLMP-GASCZTMLSA-N 1 3 310.442 -0.541 20 0 DBADHO C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001147824664 831410236 /nfs/dbraw/zinc/41/02/36/831410236.db2.gz LPLHMLANGLUMFN-WDEREUQCSA-N 1 3 313.402 -0.993 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001147877878 831414567 /nfs/dbraw/zinc/41/45/67/831414567.db2.gz OPKHGGYIPNNAPH-CQSZACIVSA-N 1 3 310.442 -0.050 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001147877878 831414571 /nfs/dbraw/zinc/41/45/71/831414571.db2.gz OPKHGGYIPNNAPH-CQSZACIVSA-N 1 3 310.442 -0.050 20 0 DBADHO CC(C)CNC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147892546 831415789 /nfs/dbraw/zinc/41/57/89/831415789.db2.gz JQTDONPCKCOKNZ-ZDUSSCGKSA-N 1 3 316.446 -0.569 20 0 DBADHO CCN(C(=O)CNCCNC(=O)COCC[NH+](C)C)C1CC1 ZINC001147893347 831415948 /nfs/dbraw/zinc/41/59/48/831415948.db2.gz OMVHYIQMFAJKEG-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NC[C@H]1CCCO1 ZINC001147977126 831420680 /nfs/dbraw/zinc/42/06/80/831420680.db2.gz KBCZHHHXEHFEJX-CYBMUJFWSA-N 1 3 324.425 -0.917 20 0 DBADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)COC)C2)N(C)C ZINC001148291623 831442821 /nfs/dbraw/zinc/44/28/21/831442821.db2.gz AILJLHJFTKOWDI-KGLIPLIRSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)COC)C2)N(C)C ZINC001148291623 831442827 /nfs/dbraw/zinc/44/28/27/831442827.db2.gz AILJLHJFTKOWDI-KGLIPLIRSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148547883 831461120 /nfs/dbraw/zinc/46/11/20/831461120.db2.gz HTBASKUHXMHYBY-UHFFFAOYSA-N 1 3 313.442 -0.129 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148547883 831461127 /nfs/dbraw/zinc/46/11/27/831461127.db2.gz HTBASKUHXMHYBY-UHFFFAOYSA-N 1 3 313.442 -0.129 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001148639082 831467162 /nfs/dbraw/zinc/46/71/62/831467162.db2.gz ZWUNIJZDCXCBTO-UHFFFAOYSA-N 1 3 322.475 -0.637 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001148642886 831468194 /nfs/dbraw/zinc/46/81/94/831468194.db2.gz PEHYVOXOYLXROT-CYBMUJFWSA-N 1 3 319.471 -0.141 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001148655784 831469065 /nfs/dbraw/zinc/46/90/65/831469065.db2.gz RPXHNXSKNDOYLG-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](C[C@@H](O)COC)C2 ZINC001148652211 831469568 /nfs/dbraw/zinc/46/95/68/831469568.db2.gz ZRIWBHYRKUNHFA-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](C[C@@H](O)COC)C2 ZINC001148652211 831469573 /nfs/dbraw/zinc/46/95/73/831469573.db2.gz ZRIWBHYRKUNHFA-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO COC[C@H](O)CN1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241181 831600904 /nfs/dbraw/zinc/60/09/04/831600904.db2.gz MPSLRMJSQALVFU-KGLIPLIRSA-N 1 3 317.430 -0.848 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001150326386 831607297 /nfs/dbraw/zinc/60/72/97/831607297.db2.gz XVJISPHUKYLOQU-CABCVRRESA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001150326386 831607303 /nfs/dbraw/zinc/60/73/03/831607303.db2.gz XVJISPHUKYLOQU-CABCVRRESA-N 1 3 313.442 -0.082 20 0 DBADHO C[NH+]1CCC(CC(=O)NC[C@H]2CN(CCO)CCCO2)CC1 ZINC001150416317 831614615 /nfs/dbraw/zinc/61/46/15/831614615.db2.gz BCXAKIVIQQVYLA-HNNXBMFYSA-N 1 3 313.442 -0.082 20 0 DBADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150470603 831622211 /nfs/dbraw/zinc/62/22/11/831622211.db2.gz SFQRYCOJJPYYFL-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150470603 831622215 /nfs/dbraw/zinc/62/22/15/831622215.db2.gz SFQRYCOJJPYYFL-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](C)O)CCCO1 ZINC001150547256 831628017 /nfs/dbraw/zinc/62/80/17/831628017.db2.gz QISALESHKZQKPR-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(C[C@@H](C)O)CCCO1 ZINC001150547256 831628020 /nfs/dbraw/zinc/62/80/20/831628020.db2.gz QISALESHKZQKPR-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150796587 831646924 /nfs/dbraw/zinc/64/69/24/831646924.db2.gz WAYNITSSFABLRP-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150796587 831646927 /nfs/dbraw/zinc/64/69/27/831646927.db2.gz WAYNITSSFABLRP-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCc2ccccc2)C1 ZINC001151044021 831659698 /nfs/dbraw/zinc/65/96/98/831659698.db2.gz LEARIUSMRSYPRM-OAHLLOKOSA-N 1 3 318.421 -0.040 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCc2ccccc2)C1 ZINC001151044021 831659702 /nfs/dbraw/zinc/65/97/02/831659702.db2.gz LEARIUSMRSYPRM-OAHLLOKOSA-N 1 3 318.421 -0.040 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCc2ccc(C(N)=O)cc2)C1 ZINC001151043351 831660120 /nfs/dbraw/zinc/66/01/20/831660120.db2.gz DNSVEBSSYSFGFY-CQSZACIVSA-N 1 3 304.394 -0.057 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCc2ccc(C(N)=O)cc2)C1 ZINC001151043351 831660124 /nfs/dbraw/zinc/66/01/24/831660124.db2.gz DNSVEBSSYSFGFY-CQSZACIVSA-N 1 3 304.394 -0.057 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001151066470 831662281 /nfs/dbraw/zinc/66/22/81/831662281.db2.gz VEQKOFLDEKMTMT-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001151066470 831662285 /nfs/dbraw/zinc/66/22/85/831662285.db2.gz VEQKOFLDEKMTMT-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO Cc1cc(C[NH2+]CCNC(=O)[C@H](C)CN2CCOCC2)ncn1 ZINC001151160794 831669444 /nfs/dbraw/zinc/66/94/44/831669444.db2.gz ZBAXEGRLAGDWGT-CYBMUJFWSA-N 1 3 321.425 -0.041 20 0 DBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCNCCNS(C)(=O)=O ZINC001152149641 831728005 /nfs/dbraw/zinc/72/80/05/831728005.db2.gz ZYSNFGWPJYJPBV-RYUDHWBXSA-N 1 3 320.459 -0.886 20 0 DBADHO C[NH+](C)Cc1ccccc1C(=O)NCCNCC(=O)NC(N)=O ZINC001152384810 831745173 /nfs/dbraw/zinc/74/51/73/831745173.db2.gz YILSBERWTZBYBF-UHFFFAOYSA-N 1 3 321.381 -0.738 20 0 DBADHO CCN(CCN1CCNC1=O)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001155005423 831912179 /nfs/dbraw/zinc/91/21/79/831912179.db2.gz MLZQPLDCULQAGF-CYBMUJFWSA-N 1 3 313.446 -0.210 20 0 DBADHO CCOC(=O)c1c(CN)ncn1-c1ncc2c(n1)CC[NH2+]C2 ZINC001155078799 831915085 /nfs/dbraw/zinc/91/50/85/831915085.db2.gz XKJLRHZSEHQHMB-UHFFFAOYSA-N 1 3 302.338 -0.057 20 0 DBADHO [NH3+]CC1CN([C@H]2CCCN(c3ncc4c(n3)CCNC4)C2)C1 ZINC001155371901 831929762 /nfs/dbraw/zinc/92/97/62/831929762.db2.gz DPEYGXHTWJLCOO-AWEZNQCLSA-N 1 3 302.426 -0.018 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001155789888 831952599 /nfs/dbraw/zinc/95/25/99/831952599.db2.gz GVEMQWGDSHWVGU-SNVBAGLBSA-N 1 3 324.347 -0.145 20 0 DBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001155822538 831954787 /nfs/dbraw/zinc/95/47/87/831954787.db2.gz TYFZXOQFKUSXFP-NSHDSACASA-N 1 3 309.370 -0.197 20 0 DBADHO CNS(=O)(=O)c1ccc(NC(=N)NCCCC[NH3+])nc1 ZINC001157098882 832020549 /nfs/dbraw/zinc/02/05/49/832020549.db2.gz FBKMXXPJTDRLRR-UHFFFAOYSA-N 1 3 300.388 -0.335 20 0 DBADHO CNS(=O)(=O)c1cccnc1NC(=N)NCCCC[NH3+] ZINC001157095985 832020775 /nfs/dbraw/zinc/02/07/75/832020775.db2.gz DKTRYYOASUIEEW-UHFFFAOYSA-N 1 3 300.388 -0.335 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CCNC[C@@H]1F ZINC001157324095 832033884 /nfs/dbraw/zinc/03/38/84/832033884.db2.gz QUMXQVGFASAFQU-WOPDTQHZSA-N 1 3 302.394 -0.316 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H](OC)CCN1 ZINC001157344589 832035806 /nfs/dbraw/zinc/03/58/06/832035806.db2.gz PPJDTWWRMWZXGT-SRVKXCTJSA-N 1 3 300.403 -0.887 20 0 DBADHO N[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@@]23C(=O)Nc2ccccc23)C[C@H]1F ZINC001157536253 832051863 /nfs/dbraw/zinc/05/18/63/832051863.db2.gz JRXBYYDJSZVCLG-YMEQNVIZSA-N 1 3 318.352 -0.397 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1CO[C@@]2(C1)CCC[NH2+]CC2 ZINC001157715258 832057336 /nfs/dbraw/zinc/05/73/36/832057336.db2.gz DCPLZKWUMCDPHH-YCPHGPKFSA-N 1 3 311.426 -0.018 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001157720189 832058292 /nfs/dbraw/zinc/05/82/92/832058292.db2.gz BXAVMUYAVYOLLP-SOUVJXGZSA-N 1 3 310.442 -0.350 20 0 DBADHO CN(C[C@@H]1C[NH2+]CCO1)C(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1 ZINC001157720330 832058651 /nfs/dbraw/zinc/05/86/51/832058651.db2.gz GQPBCXXMFNZGRC-KBPBESRZSA-N 1 3 320.393 -0.898 20 0 DBADHO O=C(N1CC(F)(F)CC[C@H]1CO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157731350 832060191 /nfs/dbraw/zinc/06/01/91/832060191.db2.gz XIHCOTJEOHTMMA-NTZNESFSSA-N 1 3 303.353 -0.196 20 0 DBADHO C[C@@H]1[C@H](C[NH3+])CCCN1C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001157843045 832065998 /nfs/dbraw/zinc/06/59/98/832065998.db2.gz OMOAATNSDUQYIA-GRYCIOLGSA-N 1 3 315.439 -0.651 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001157905384 832071554 /nfs/dbraw/zinc/07/15/54/832071554.db2.gz UFCRGWOBEDXEDP-OUAUKWLOSA-N 1 3 321.343 -0.043 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157935563 832075462 /nfs/dbraw/zinc/07/54/62/832075462.db2.gz DOBKIPBROIOXTC-IHRRRGAJSA-N 1 3 301.431 -0.316 20 0 DBADHO N[C@@H](C(=O)N1CCN(C(=O)C(F)(F)F)CC1)C1CC[NH2+]CC1 ZINC001157982567 832081191 /nfs/dbraw/zinc/08/11/91/832081191.db2.gz PEHKJFYYFIEOSN-SNVBAGLBSA-N 1 3 322.331 -0.454 20 0 DBADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157999529 832082127 /nfs/dbraw/zinc/08/21/27/832082127.db2.gz SIEPCEQSCFOYKZ-CHWSQXEVSA-N 1 3 324.425 -0.776 20 0 DBADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157999529 832082132 /nfs/dbraw/zinc/08/21/32/832082132.db2.gz SIEPCEQSCFOYKZ-CHWSQXEVSA-N 1 3 324.425 -0.776 20 0 DBADHO CN[C@H](Cc1ccccc1)C(=O)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158091752 832089404 /nfs/dbraw/zinc/08/94/04/832089404.db2.gz IABVXCWJWUJEAP-RHSMWYFYSA-N 1 3 316.405 -0.492 20 0 DBADHO N[C@H](C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1)C1CCCCC1 ZINC001158110646 832091372 /nfs/dbraw/zinc/09/13/72/832091372.db2.gz HMDQGLQITWQWOJ-SUMWQHHRSA-N 1 3 320.437 -0.168 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]32)COC1(C)C ZINC001158215236 832100307 /nfs/dbraw/zinc/10/03/07/832100307.db2.gz LIZGEFMGQFTZPG-YFKTTZPYSA-N 1 3 310.398 -0.740 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]3CC[NH2+][C@@H]3C2)COC1(C)C ZINC001158305723 832104531 /nfs/dbraw/zinc/10/45/31/832104531.db2.gz KRYUOFPRFMSLAA-YFKTTZPYSA-N 1 3 310.398 -0.883 20 0 DBADHO CCOC(=O)[C@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](C)N)C2 ZINC001158384958 832107959 /nfs/dbraw/zinc/10/79/59/832107959.db2.gz UCRVNMWYQBTFRD-FXAINCCUSA-N 1 3 323.315 -0.123 20 0 DBADHO CCOC(=O)[C@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](C)N)C2 ZINC001158384961 832107974 /nfs/dbraw/zinc/10/79/74/832107974.db2.gz UCRVNMWYQBTFRD-GGZOMVNGSA-N 1 3 323.315 -0.123 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@@H]3[NH2+]C[C@H]32)COC1(C)C ZINC001158422326 832111425 /nfs/dbraw/zinc/11/14/25/832111425.db2.gz KDUIAGXGIVTVEN-YFKTTZPYSA-N 1 3 310.398 -0.740 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567217 832122490 /nfs/dbraw/zinc/12/24/90/832122490.db2.gz GRERTIFRJGMCKV-RTXFEEFZSA-N 1 3 309.389 -0.175 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158568687 832122575 /nfs/dbraw/zinc/12/25/75/832122575.db2.gz QSOPCGYFFKYRJI-OUAUKWLOSA-N 1 3 315.393 -0.702 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158578144 832122658 /nfs/dbraw/zinc/12/26/58/832122658.db2.gz KQEMKELRGSMBPD-GGRBLDGOSA-N 1 3 305.419 -0.382 20 0 DBADHO COCc1n[nH]c2c1CN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001159091547 832155972 /nfs/dbraw/zinc/15/59/72/832155972.db2.gz QNSQOMFHRGUNLO-MEBBXXQBSA-N 1 3 305.382 -0.403 20 0 DBADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H](N)CCC[NH3+])C[C@H]21 ZINC001159109246 832157651 /nfs/dbraw/zinc/15/76/51/832157651.db2.gz NZDLDUQIEPCLHA-YVECIDJPSA-N 1 3 312.414 -0.948 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001159156013 832160111 /nfs/dbraw/zinc/16/01/11/832160111.db2.gz ZWWHJWZVKJTYBE-ZDUSSCGKSA-N 1 3 316.421 -0.006 20 0 DBADHO N[C@@H](CC[NH3+])C(=O)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159158420 832161867 /nfs/dbraw/zinc/16/18/67/832161867.db2.gz OAAHSDJGDDPXHN-AWEZNQCLSA-N 1 3 320.441 -0.460 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001185659672 833804587 /nfs/dbraw/zinc/80/45/87/833804587.db2.gz NZWHSNCQNWEPOH-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001185659672 833804592 /nfs/dbraw/zinc/80/45/92/833804592.db2.gz NZWHSNCQNWEPOH-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)N(C)C ZINC001185705498 833807387 /nfs/dbraw/zinc/80/73/87/833807387.db2.gz DNOOKEXVQZBMAE-ILXRZTDVSA-N 1 3 323.441 -0.225 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001270021804 832490688 /nfs/dbraw/zinc/49/06/88/832490688.db2.gz IMRCUGHKDXKQPP-UONOGXRCSA-N 1 3 323.441 -0.314 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001270669866 832563638 /nfs/dbraw/zinc/56/36/38/832563638.db2.gz HWMFNMDRFWOJEX-MCIONIFRSA-N 1 3 320.437 -0.251 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001270669866 832563645 /nfs/dbraw/zinc/56/36/45/832563645.db2.gz HWMFNMDRFWOJEX-MCIONIFRSA-N 1 3 320.437 -0.251 20 0 DBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCOCCO ZINC001271673719 832692659 /nfs/dbraw/zinc/69/26/59/832692659.db2.gz LHBOYKIIPJFONJ-STQMWFEESA-N 1 3 310.398 -0.355 20 0 DBADHO Cn1cc(CNCCN(CCO)C(=O)C2CC[NH+](C)CC2)cn1 ZINC001272250744 832762515 /nfs/dbraw/zinc/76/25/15/832762515.db2.gz FBYUBFGGDUGQPK-UHFFFAOYSA-N 1 3 323.441 -0.328 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC001272660756 832817236 /nfs/dbraw/zinc/81/72/36/832817236.db2.gz GZRAKOFRMXLJEQ-QGZVFWFLSA-N 1 3 324.469 -0.195 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC001272660756 832817248 /nfs/dbraw/zinc/81/72/48/832817248.db2.gz GZRAKOFRMXLJEQ-QGZVFWFLSA-N 1 3 324.469 -0.195 20 0 DBADHO N[C@@H](C[NH3+])C(=O)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001159548689 832824512 /nfs/dbraw/zinc/82/45/12/832824512.db2.gz FAOYUXLBXOTHQI-LBPRGKRZSA-N 1 3 306.414 -0.457 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598742 832827472 /nfs/dbraw/zinc/82/74/72/832827472.db2.gz BZLIIDTUZCGUMX-AAVRWANBSA-N 1 3 324.425 -0.805 20 0 DBADHO COC(=O)CNC(=O)CNc1cccc(N2CCC([NH3+])CC2)n1 ZINC001159826657 832849998 /nfs/dbraw/zinc/84/99/98/832849998.db2.gz JFOZKCIRRUOYAK-UHFFFAOYSA-N 1 3 321.381 -0.290 20 0 DBADHO N[C@@H](C[NH3+])C(=O)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856084 832852175 /nfs/dbraw/zinc/85/21/75/832852175.db2.gz RKHFFKVWLRTTSL-QEJZJMRPSA-N 1 3 322.384 -0.224 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001159925506 832859195 /nfs/dbraw/zinc/85/91/95/832859195.db2.gz RPOCBPSHVIBIEK-WCQYABFASA-N 1 3 310.398 -0.772 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)C1CC1 ZINC001159931848 832860414 /nfs/dbraw/zinc/86/04/14/832860414.db2.gz JVXJPUMXLKTJSR-ZDUSSCGKSA-N 1 3 311.430 -0.552 20 0 DBADHO C[C@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(=O)NC(N)=O ZINC001159931651 832860742 /nfs/dbraw/zinc/86/07/42/832860742.db2.gz HPJNKIDIHHIYHW-ONGXEEELSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001160003078 832865405 /nfs/dbraw/zinc/86/54/05/832865405.db2.gz BVGUREJMKGXVER-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C[C@H]21 ZINC001160094972 832874191 /nfs/dbraw/zinc/87/41/91/832874191.db2.gz RZZJXRNIWIPSIS-RFQIPJPRSA-N 1 3 308.426 -0.458 20 0 DBADHO COC(=O)CCN(Cc1ccco1)C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160471499 832907676 /nfs/dbraw/zinc/90/76/76/832907676.db2.gz UEDJMJQMEPGPNB-ZDUSSCGKSA-N 1 3 321.377 -0.020 20 0 DBADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160635336 832926773 /nfs/dbraw/zinc/92/67/73/832926773.db2.gz IMLWYKNSRALFIS-GXFFZTMASA-N 1 3 303.428 -0.193 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643901 832928929 /nfs/dbraw/zinc/92/89/29/832928929.db2.gz PLWLDJDTSBIJTE-QWRGUYRKSA-N 1 3 301.387 -0.508 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC(C)([NH+](C)C)C2)COC1(C)C ZINC001160644892 832929473 /nfs/dbraw/zinc/92/94/73/832929473.db2.gz ISEDAMDQAYTGPM-QWRGUYRKSA-N 1 3 312.414 -0.540 20 0 DBADHO N[C@H]1C[NH2+][C@H](C(=O)N2CCN(c3cccc4n[nH]cc43)CC2)C1 ZINC001160667608 832932260 /nfs/dbraw/zinc/93/22/60/832932260.db2.gz KBFDSWIWCJFDOY-RISCZKNCSA-N 1 3 314.393 -0.099 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC001160704512 832935716 /nfs/dbraw/zinc/93/57/16/832935716.db2.gz FJVQUYYOXQONMF-JGVFFNPUSA-N 1 3 301.334 -0.205 20 0 DBADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001160746648 832939647 /nfs/dbraw/zinc/93/96/47/832939647.db2.gz MEWZJJPWJBKYCH-STQMWFEESA-N 1 3 314.430 -0.414 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001273588533 832941606 /nfs/dbraw/zinc/94/16/06/832941606.db2.gz OTVCDEVGRHZWGF-CYBMUJFWSA-N 1 3 324.425 -0.429 20 0 DBADHO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001160789558 832943552 /nfs/dbraw/zinc/94/35/52/832943552.db2.gz XQVWQUFBVIIXJG-PEXQALLHSA-N 1 3 307.354 -0.912 20 0 DBADHO Nc1cccnc1N1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160825794 832947807 /nfs/dbraw/zinc/94/78/07/832947807.db2.gz LDCFXZSAKFXYDV-LBPRGKRZSA-N 1 3 324.454 -0.668 20 0 DBADHO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCN1C ZINC001160870869 832954596 /nfs/dbraw/zinc/95/45/96/832954596.db2.gz OHMDKMNXBIMNDW-STQMWFEESA-N 1 3 324.425 -0.824 20 0 DBADHO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCN1C ZINC001160870869 832954597 /nfs/dbraw/zinc/95/45/97/832954597.db2.gz OHMDKMNXBIMNDW-STQMWFEESA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)COCCOC)N(C)C ZINC001160889100 832957185 /nfs/dbraw/zinc/95/71/85/832957185.db2.gz CMQJEHLFDVMVDZ-UONOGXRCSA-N 1 3 319.446 -0.554 20 0 DBADHO CC(C)(C)C(=O)N1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160947597 832961456 /nfs/dbraw/zinc/96/14/56/832961456.db2.gz HUDNSKBQVGWBEZ-CXAGYDPISA-N 1 3 322.453 -0.098 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N2C[C@H]([NH3+])CC(F)(F)C2)C1=O ZINC001160973457 832963282 /nfs/dbraw/zinc/96/32/82/832963282.db2.gz VKRBAJKRQSBFJW-ZJUUUORDSA-N 1 3 304.341 -0.479 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160972163 832963356 /nfs/dbraw/zinc/96/33/56/832963356.db2.gz PVPMFLMYXIQVJO-UWVGGRQHSA-N 1 3 306.357 -0.329 20 0 DBADHO N[C@H](C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1)C1CCC(O)CC1 ZINC001161006405 832964869 /nfs/dbraw/zinc/96/48/69/832964869.db2.gz CNGLSJCTIWFYOE-PQAZSJQKSA-N 1 3 311.426 -0.420 20 0 DBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@@H]21 ZINC001161082899 832973547 /nfs/dbraw/zinc/97/35/47/832973547.db2.gz QJSUOTSCVPGZNT-IHRRRGAJSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CCC[C@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@@H]21 ZINC001161082899 832973551 /nfs/dbraw/zinc/97/35/51/832973551.db2.gz QJSUOTSCVPGZNT-IHRRRGAJSA-N 1 3 308.426 -0.121 20 0 DBADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161131614 832981123 /nfs/dbraw/zinc/98/11/23/832981123.db2.gz RFEWHZVTXNLWTG-NEPJUHHUSA-N 1 3 302.444 -0.525 20 0 DBADHO COC(=O)[C@]1(N)CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001161139485 832983142 /nfs/dbraw/zinc/98/31/42/832983142.db2.gz VPYZNDNKYJSBQJ-WFASDCNBSA-N 1 3 314.430 -0.415 20 0 DBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)CCC(=O)OC ZINC001161154390 832985533 /nfs/dbraw/zinc/98/55/33/832985533.db2.gz ZDZATVUGZAYPQO-JTQLQIEISA-N 1 3 303.359 -0.993 20 0 DBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)Cc1cncn1C ZINC001161153531 832985713 /nfs/dbraw/zinc/98/57/13/832985713.db2.gz LJELCWWYBPLHER-LBPRGKRZSA-N 1 3 311.386 -0.970 20 0 DBADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]2C1 ZINC001161174613 832988315 /nfs/dbraw/zinc/98/83/15/832988315.db2.gz ATLJOEKKANOPER-JHJVBQTASA-N 1 3 311.430 -0.438 20 0 DBADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@H]2C1 ZINC001161176297 832989487 /nfs/dbraw/zinc/98/94/87/832989487.db2.gz SMGQDLLYRVEOLE-UVHLSAOVSA-N 1 3 301.456 -0.118 20 0 DBADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[S@@](C)=O)C[C@H]2C1 ZINC001161176297 832989481 /nfs/dbraw/zinc/98/94/81/832989481.db2.gz SMGQDLLYRVEOLE-UVHLSAOVSA-N 1 3 301.456 -0.118 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179763699 833557590 /nfs/dbraw/zinc/55/75/90/833557590.db2.gz OTPPXHIYOLEEKI-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180125019 833570719 /nfs/dbraw/zinc/57/07/19/833570719.db2.gz YXKGSLJXYQPTTG-IHRRRGAJSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180125019 833570722 /nfs/dbraw/zinc/57/07/22/833570722.db2.gz YXKGSLJXYQPTTG-IHRRRGAJSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2(O)CCN(C)CC2)O1 ZINC001182036777 833653087 /nfs/dbraw/zinc/65/30/87/833653087.db2.gz XFTRHMGCUCKTKH-JHJVBQTASA-N 1 3 315.414 -0.716 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001182964660 833697924 /nfs/dbraw/zinc/69/79/24/833697924.db2.gz OJPLXBWYTFBJNQ-CHWSQXEVSA-N 1 3 316.421 -0.055 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1)N(C)C ZINC001183581014 833723297 /nfs/dbraw/zinc/72/32/97/833723297.db2.gz CYJMIDLOGRJERN-CHWSQXEVSA-N 1 3 319.471 -0.048 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001183592787 833724437 /nfs/dbraw/zinc/72/44/37/833724437.db2.gz RQBHQGCTJKXDDD-GMTAPVOTSA-N 1 3 313.402 -0.900 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC1 ZINC001185229377 833784163 /nfs/dbraw/zinc/78/41/63/833784163.db2.gz DGKGTKGTTMEIPG-GFCCVEGCSA-N 1 3 317.455 -0.437 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001185229738 833784229 /nfs/dbraw/zinc/78/42/29/833784229.db2.gz GNNMGTIOUFEVEY-VXGBXAGGSA-N 1 3 322.409 -0.676 20 0 DBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccc(OCC(N)=O)cc1 ZINC001186071346 833829779 /nfs/dbraw/zinc/82/97/79/833829779.db2.gz JGVHCNZALLFARZ-UHFFFAOYSA-N 1 3 307.354 -0.375 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001186486649 833853163 /nfs/dbraw/zinc/85/31/63/833853163.db2.gz CLQZLGJRZKZJJR-NEPJUHHUSA-N 1 3 310.398 -0.676 20 0 DBADHO CS(=O)(=O)CCN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122700 833903537 /nfs/dbraw/zinc/90/35/37/833903537.db2.gz ZDCNTHJWBVRSNE-GFCCVEGCSA-N 1 3 315.439 -0.683 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N(C)C ZINC001187121351 833903602 /nfs/dbraw/zinc/90/36/02/833903602.db2.gz ICVNVKKEABUBML-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO CC(C)[C@H](C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001277165089 833930090 /nfs/dbraw/zinc/93/00/90/833930090.db2.gz SVWGDBSLVHLTSO-DGCLKSJQSA-N 1 3 324.425 -0.384 20 0 DBADHO C[NH+](C)CCN1CC2(C1)CCN(CC(=O)N1CCOCC1)CC2 ZINC001277504164 833960862 /nfs/dbraw/zinc/96/08/62/833960862.db2.gz RQCSZWVMBQWLAM-UHFFFAOYSA-N 1 3 324.469 -0.195 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CCNS(C)(=O)=O ZINC001277772403 833990293 /nfs/dbraw/zinc/99/02/93/833990293.db2.gz XGEZPAZMBBSROP-NEPJUHHUSA-N 1 3 320.459 -0.934 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001190363553 834155014 /nfs/dbraw/zinc/15/50/14/834155014.db2.gz QSXFHNANZRKQHX-MELADBBJSA-N 1 3 308.426 -0.252 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001190363553 834155017 /nfs/dbraw/zinc/15/50/17/834155017.db2.gz QSXFHNANZRKQHX-MELADBBJSA-N 1 3 308.426 -0.252 20 0 DBADHO C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431546 834252830 /nfs/dbraw/zinc/25/28/30/834252830.db2.gz RGBLYTZVQAGXKT-GWUWNPHMSA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431546 834252838 /nfs/dbraw/zinc/25/28/38/834252838.db2.gz RGBLYTZVQAGXKT-GWUWNPHMSA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431545 834252880 /nfs/dbraw/zinc/25/28/80/834252880.db2.gz RGBLYTZVQAGXKT-DGNOSDGRSA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431545 834252888 /nfs/dbraw/zinc/25/28/88/834252888.db2.gz RGBLYTZVQAGXKT-DGNOSDGRSA-N 1 3 323.437 -0.235 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169867 834336764 /nfs/dbraw/zinc/33/67/64/834336764.db2.gz DKDHUXILWCRJFB-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CCOC(=O)C[C@H](NS(=O)(=O)CCN)C1CC[NH2+]CC1 ZINC001238512895 834356482 /nfs/dbraw/zinc/35/64/82/834356482.db2.gz RTQSHTUPWNBMEW-NSHDSACASA-N 1 3 307.416 -0.814 20 0 DBADHO Cc1nn(C)c(C)c1S(=O)(=O)NCCC[NH2+]CCCN ZINC001238879989 834369161 /nfs/dbraw/zinc/36/91/61/834369161.db2.gz ZOXHTTUCYQXYIT-UHFFFAOYSA-N 1 3 303.432 -0.356 20 0 DBADHO O=S(=O)([C@@H]1CC[NH2+]C1)N1CCNC[C@]2(CCCCN2)C1 ZINC001239014128 834376374 /nfs/dbraw/zinc/37/63/74/834376374.db2.gz IWCPTEULJHJGHD-CHWSQXEVSA-N 1 3 302.444 -0.904 20 0 DBADHO O=S(=O)([C@H]1CC[NH2+]C1)N1CCNC[C@]2(CCCCN2)C1 ZINC001239014133 834376976 /nfs/dbraw/zinc/37/69/76/834376976.db2.gz IWCPTEULJHJGHD-QWHCGFSZSA-N 1 3 302.444 -0.904 20 0 DBADHO CC[N@@H+]([C@H]1CCOC1)C1CCN(S(=O)(=O)CCN)CC1 ZINC001239097110 834383650 /nfs/dbraw/zinc/38/36/50/834383650.db2.gz KEIRUBBBOHLBLZ-ZDUSSCGKSA-N 1 3 305.444 -0.150 20 0 DBADHO CC[N@H+]([C@H]1CCOC1)C1CCN(S(=O)(=O)CCN)CC1 ZINC001239097110 834383641 /nfs/dbraw/zinc/38/36/41/834383641.db2.gz KEIRUBBBOHLBLZ-ZDUSSCGKSA-N 1 3 305.444 -0.150 20 0 DBADHO NCCC[NH2+]CCCNC(=S)NCCCN1CCOCC1 ZINC001239396697 834397666 /nfs/dbraw/zinc/39/76/66/834397666.db2.gz MGYCQBIUMKBDBE-UHFFFAOYSA-N 1 3 317.503 -0.499 20 0 DBADHO COC(=O)[C@H]1CN(C(=S)NCCN2CCCCC2)C[C@H]1[NH3+] ZINC001239452945 834400063 /nfs/dbraw/zinc/40/00/63/834400063.db2.gz SRVANCGULQPDMJ-NWDGAFQWSA-N 1 3 314.455 -0.221 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246084924 834416276 /nfs/dbraw/zinc/41/62/76/834416276.db2.gz UITQPTHHDCPMFU-OWTLIXCDSA-N 1 3 303.378 -0.678 20 0 DBADHO O=C1C[C@@H]2[NH2+]CC[C@]2(NC2CCC(N3CCOCC3)CC2)N1 ZINC001246152864 834421033 /nfs/dbraw/zinc/42/10/33/834421033.db2.gz QTQUYMQQYZKJDR-UJJWPFCGSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C1C[C@H]2[NH2+]CC[C@]2(NC2CCC(N3CCOCC3)CC2)N1 ZINC001246152859 834421280 /nfs/dbraw/zinc/42/12/80/834421280.db2.gz QTQUYMQQYZKJDR-MNSOJDNVSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@@H]1CNCCO1 ZINC001246288492 834427251 /nfs/dbraw/zinc/42/72/51/834427251.db2.gz AZNIHUSQUQMPST-RNJOBUHISA-N 1 3 314.455 -0.784 20 0 DBADHO CC[C@@]1(C(=O)OC)C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246406200 834434536 /nfs/dbraw/zinc/43/45/36/834434536.db2.gz RXSVXUQZABUJQR-SUNKGSAMSA-N 1 3 300.403 -0.757 20 0 DBADHO COCCOc1nccc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246432971 834435377 /nfs/dbraw/zinc/43/53/77/834435377.db2.gz GUWKFIRSGZFDGO-GFCCVEGCSA-N 1 3 307.398 -0.315 20 0 DBADHO CC(C)(C)OC(=O)C[C@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246443319 834435892 /nfs/dbraw/zinc/43/58/92/834435892.db2.gz MYIPRUBHDVGNMZ-MNOVXSKESA-N 1 3 312.414 -0.744 20 0 DBADHO CCOC(=O)[C@@H](N)Cc1cn([C@@H]2CC[NH2+]C3(CNC3)C2)cn1 ZINC001246527449 834440632 /nfs/dbraw/zinc/44/06/32/834440632.db2.gz YEKNGNGJLKBWPG-OLZOCXBDSA-N 1 3 307.398 -0.418 20 0 DBADHO CC[C@@]1(C(=O)OC)C[C@H](N2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246594848 834441701 /nfs/dbraw/zinc/44/17/01/834441701.db2.gz LSEXXQZSNIHALH-BBRMVZONSA-N 1 3 310.442 -0.303 20 0 DBADHO N[C@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[C@H]1F ZINC001246818888 834455839 /nfs/dbraw/zinc/45/58/39/834455839.db2.gz GAOWOSTVIRRMSK-WYUUTHIRSA-N 1 3 302.419 -0.379 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246976285 834466070 /nfs/dbraw/zinc/46/60/70/834466070.db2.gz NSEKAOMSMIPHFS-ILXRZTDVSA-N 1 3 310.442 -0.223 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C1C[C@@H]3COC[C@H](C1)N3)CC2 ZINC001246988729 834466923 /nfs/dbraw/zinc/46/69/23/834466923.db2.gz QDQNBVBEFYFMOP-GAXZYHLGSA-N 1 3 309.410 -0.267 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[C@]12CC[NH2+]C2)O3 ZINC001247009769 834467701 /nfs/dbraw/zinc/46/77/01/834467701.db2.gz LTWIMWOODWFYKM-HTOAHKCRSA-N 1 3 313.423 -0.727 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[C@@]12CC[NH2+]C2)O3 ZINC001247009771 834467944 /nfs/dbraw/zinc/46/79/44/834467944.db2.gz LTWIMWOODWFYKM-QMVSFRDZSA-N 1 3 313.423 -0.727 20 0 DBADHO CC1(C)C[C@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)CC[NH2+]1 ZINC001247007873 834468022 /nfs/dbraw/zinc/46/80/22/834468022.db2.gz HEYCQMKWCNHDRD-NMKXLXIOSA-N 1 3 315.439 -0.338 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[C@H]2[NH2+]CC[C@H]2C1)O3 ZINC001247008889 834468101 /nfs/dbraw/zinc/46/81/01/834468101.db2.gz ILDKCONQSPCUEF-XOKHJRTDSA-N 1 3 313.423 -0.728 20 0 DBADHO C[C@H]1CC[NH2+]CC[C@@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247012548 834469571 /nfs/dbraw/zinc/46/95/71/834469571.db2.gz UGMJJISNTSSCLS-NDKCEZKHSA-N 1 3 315.439 -0.481 20 0 DBADHO COCC[N@@H+]1CCO[C@@H]2CN(C[C@H](O)COC)CC[C@@H]2C1 ZINC001252817808 834554060 /nfs/dbraw/zinc/55/40/60/834554060.db2.gz JRMOKCDYHOYITP-QLFBSQMISA-N 1 3 302.415 -0.337 20 0 DBADHO COCC[N@H+]1CCO[C@@H]2CN(C[C@H](O)COC)CC[C@@H]2C1 ZINC001252817808 834554065 /nfs/dbraw/zinc/55/40/65/834554065.db2.gz JRMOKCDYHOYITP-QLFBSQMISA-N 1 3 302.415 -0.337 20 0 DBADHO O=C1CO[C@@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252945436 834556286 /nfs/dbraw/zinc/55/62/86/834556286.db2.gz COCQXISATYYPPJ-DOTOQJQBSA-N 1 3 319.405 -0.272 20 0 DBADHO O=C1CO[C@@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252945436 834556292 /nfs/dbraw/zinc/55/62/92/834556292.db2.gz COCQXISATYYPPJ-DOTOQJQBSA-N 1 3 319.405 -0.272 20 0 DBADHO CC[NH+](CC)C[C@@H](O)CNC1CCN(CC(=O)OC)CC1 ZINC001253204049 834564661 /nfs/dbraw/zinc/56/46/61/834564661.db2.gz PCNLHQSWWSJPHZ-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001194265082 834583154 /nfs/dbraw/zinc/58/31/54/834583154.db2.gz MPZGFWMFXHHDEB-BFHYXJOUSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O ZINC001194265082 834583163 /nfs/dbraw/zinc/58/31/63/834583163.db2.gz MPZGFWMFXHHDEB-BFHYXJOUSA-N 1 3 313.442 -0.086 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H]([N@H+](CCN)CCO)C[C@H]1C(=O)OC ZINC001257719942 834661825 /nfs/dbraw/zinc/66/18/25/834661825.db2.gz WIZBQYXZTRFXTD-IJLUTSLNSA-N 1 3 302.371 -0.630 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H]([N@@H+](CCN)CCO)C[C@H]1C(=O)OC ZINC001257719942 834661831 /nfs/dbraw/zinc/66/18/31/834661831.db2.gz WIZBQYXZTRFXTD-IJLUTSLNSA-N 1 3 302.371 -0.630 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677903 834715483 /nfs/dbraw/zinc/71/54/83/834715483.db2.gz XDGPTUSZLRWAMP-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO COCC[C@@H]([NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001262035403 834897392 /nfs/dbraw/zinc/89/73/92/834897392.db2.gz IVDCUSJWLCROKM-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cnc(=O)n(CC2CC2)c1 ZINC001197778637 834903931 /nfs/dbraw/zinc/90/39/31/834903931.db2.gz IWSAHOXSMRPVIL-UHFFFAOYSA-N 1 3 306.370 -0.272 20 0 DBADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001198661197 834958654 /nfs/dbraw/zinc/95/86/54/834958654.db2.gz FJNVSDCCLSSTKT-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198661197 834958660 /nfs/dbraw/zinc/95/86/60/834958660.db2.gz FJNVSDCCLSSTKT-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(CCCCCO)CC1 ZINC001263871009 834993663 /nfs/dbraw/zinc/99/36/63/834993663.db2.gz OLDZPBPMOHAOQD-HZPDHXFCSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(CCCCCO)CC1 ZINC001263871009 834993673 /nfs/dbraw/zinc/99/36/73/834993673.db2.gz OLDZPBPMOHAOQD-HZPDHXFCSA-N 1 3 324.469 -0.319 20 0 DBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cncc(N2CCOCC2)c1 ZINC001199273232 835005443 /nfs/dbraw/zinc/00/54/43/835005443.db2.gz RXGRRRFOFPYSMN-UHFFFAOYSA-N 1 3 320.397 -0.007 20 0 DBADHO CNC(=O)C[N@H+](C)CCCNC(=O)[C@H](C)CN1CCOCC1 ZINC001265068183 835086318 /nfs/dbraw/zinc/08/63/18/835086318.db2.gz AGNDBLSACVKKMW-CYBMUJFWSA-N 1 3 314.430 -0.861 20 0 DBADHO CNC(=O)C[N@@H+](C)CCCNC(=O)[C@H](C)CN1CCOCC1 ZINC001265068183 835086327 /nfs/dbraw/zinc/08/63/27/835086327.db2.gz AGNDBLSACVKKMW-CYBMUJFWSA-N 1 3 314.430 -0.861 20 0 DBADHO CN(C)[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1)C1CC1 ZINC001200688091 835145154 /nfs/dbraw/zinc/14/51/54/835145154.db2.gz KODMQEQZNLTGRF-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCCO[C@H](CNCC(N)=O)C1)[NH+](C)C ZINC001200736543 835148627 /nfs/dbraw/zinc/14/86/27/835148627.db2.gz BBTAAGYFYWJACM-OCCSQVGLSA-N 1 3 314.430 -0.735 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1)N(C)C ZINC001200737658 835149987 /nfs/dbraw/zinc/14/99/87/835149987.db2.gz REACJRPRZXGYRN-KBPBESRZSA-N 1 3 301.431 -0.228 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCC([NH2+]CCOCCO)CC1)C1CC1 ZINC001201053813 835165903 /nfs/dbraw/zinc/16/59/03/835165903.db2.gz YFRWBZDJARUDON-OAHLLOKOSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201053254 835166361 /nfs/dbraw/zinc/16/63/61/835166361.db2.gz NKNDKCIICJKHEE-OAHLLOKOSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1)N(C)C ZINC001201240561 835177168 /nfs/dbraw/zinc/17/71/68/835177168.db2.gz WRYJVOBYNZYXSD-CYBMUJFWSA-N 1 3 319.471 -0.048 20 0 DBADHO CNC(=O)CNC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277898 835180465 /nfs/dbraw/zinc/18/04/65/835180465.db2.gz ZXXQTDJLBKXNJI-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001201679081 835203439 /nfs/dbraw/zinc/20/34/39/835203439.db2.gz SGDPIKWRLWGMJA-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871158 835214744 /nfs/dbraw/zinc/21/47/44/835214744.db2.gz GTYPLSRHRUBTBA-OLZOCXBDSA-N 1 3 324.425 -0.837 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201908291 835218724 /nfs/dbraw/zinc/21/87/24/835218724.db2.gz KYDGIBAJLOUNBU-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001201932335 835220829 /nfs/dbraw/zinc/22/08/29/835220829.db2.gz WXHWKEACSHUGJM-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001201932025 835221661 /nfs/dbraw/zinc/22/16/61/835221661.db2.gz REHGHABWNORYBM-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001202163988 835236237 /nfs/dbraw/zinc/23/62/37/835236237.db2.gz LDAXUPWECAWSPX-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266149316 835238133 /nfs/dbraw/zinc/23/81/33/835238133.db2.gz UKICGPBSOMQERU-WCQYABFASA-N 1 3 324.425 -0.240 20 0 DBADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496727 835252070 /nfs/dbraw/zinc/25/20/70/835252070.db2.gz WDWDZRQPMWOGHX-HIFRSBDPSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001202496728 835252094 /nfs/dbraw/zinc/25/20/94/835252094.db2.gz WDWDZRQPMWOGHX-UKRRQHHQSA-N 1 3 313.442 -0.084 20 0 DBADHO CCN(CC)CC(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001203004880 835276512 /nfs/dbraw/zinc/27/65/12/835276512.db2.gz JUNQDZFDPJOHLY-UHFFFAOYSA-N 1 3 319.471 -0.047 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C23CCC3)CCC1 ZINC001203028828 835279958 /nfs/dbraw/zinc/27/99/58/835279958.db2.gz PAJDBEZFCJRGCL-RYUDHWBXSA-N 1 3 308.426 -0.027 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001266439055 835307622 /nfs/dbraw/zinc/30/76/22/835307622.db2.gz HDEYVUQHHIKNOI-STQMWFEESA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001203925098 835310906 /nfs/dbraw/zinc/31/09/06/835310906.db2.gz KOVOFEGLHZJLQY-ZDUSSCGKSA-N 1 3 324.425 -0.288 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001266533786 835331411 /nfs/dbraw/zinc/33/14/11/835331411.db2.gz QOGWOMKYIGLJDX-GJZGRUSLSA-N 1 3 313.442 -0.225 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266533786 835331417 /nfs/dbraw/zinc/33/14/17/835331417.db2.gz QOGWOMKYIGLJDX-GJZGRUSLSA-N 1 3 313.442 -0.225 20 0 DBADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC(C[NH2+]CCO)CC1 ZINC001205344105 835340297 /nfs/dbraw/zinc/34/02/97/835340297.db2.gz BCIXBZBZNKZVRV-LSDHHAIUSA-N 1 3 311.426 -0.330 20 0 DBADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC(C[NH2+]CCO)CC1 ZINC001205344103 835340333 /nfs/dbraw/zinc/34/03/33/835340333.db2.gz BCIXBZBZNKZVRV-HUUCEWRRSA-N 1 3 311.426 -0.330 20 0 DBADHO NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001205345788 835340636 /nfs/dbraw/zinc/34/06/36/835340636.db2.gz YKKHJFQMKOAYFA-UONOGXRCSA-N 1 3 324.425 -0.837 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CC[C@@H](N)[C@@H](F)CC2)O1 ZINC001206156348 835381791 /nfs/dbraw/zinc/38/17/91/835381791.db2.gz QIEGMLHHVBUFDX-CKIKVBCHSA-N 1 3 306.378 -0.379 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)O1 ZINC001206156348 835381797 /nfs/dbraw/zinc/38/17/97/835381797.db2.gz QIEGMLHHVBUFDX-CKIKVBCHSA-N 1 3 306.378 -0.379 20 0 DBADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001266988677 835422250 /nfs/dbraw/zinc/42/22/50/835422250.db2.gz NPDUZPKOFMCSRJ-STQMWFEESA-N 1 3 319.471 -0.191 20 0 DBADHO CC[C@@H](C(=O)N(C)CC[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001266988675 835422897 /nfs/dbraw/zinc/42/28/97/835422897.db2.gz NPDUZPKOFMCSRJ-OLZOCXBDSA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001206993384 835454174 /nfs/dbraw/zinc/45/41/74/835454174.db2.gz WSLWTCGQYQEKAO-KBUPBQIOSA-N 1 3 313.442 -0.228 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001206993384 835454176 /nfs/dbraw/zinc/45/41/76/835454176.db2.gz WSLWTCGQYQEKAO-KBUPBQIOSA-N 1 3 313.442 -0.228 20 0 DBADHO CN(CCNCCS(C)(=O)=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456293 835517385 /nfs/dbraw/zinc/51/73/85/835517385.db2.gz SFPLTOIAOVETSA-LBPRGKRZSA-N 1 3 305.444 -0.579 20 0 DBADHO CN(CCNCCS(C)(=O)=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267456293 835517396 /nfs/dbraw/zinc/51/73/96/835517396.db2.gz SFPLTOIAOVETSA-LBPRGKRZSA-N 1 3 305.444 -0.579 20 0 DBADHO C[C@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001268055217 835626755 /nfs/dbraw/zinc/62/67/55/835626755.db2.gz NFVZYEWJGMRLML-OLZOCXBDSA-N 1 3 324.425 -0.334 20 0 DBADHO C[C@H](CN[C@H]1CCC(=O)NC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001268080091 835629688 /nfs/dbraw/zinc/62/96/88/835629688.db2.gz GZWZTORHMCEJQF-NEPJUHHUSA-N 1 3 324.425 -0.430 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CC[NH2+]CCN1CCNC1=O ZINC001268419501 835688509 /nfs/dbraw/zinc/68/85/09/835688509.db2.gz OZONXQQRMQYUOX-NSHDSACASA-N 1 3 322.413 -0.230 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCN1CCCC1=O ZINC001268524861 835717687 /nfs/dbraw/zinc/71/76/87/835717687.db2.gz WEQKHYORYMYUDY-SFAKSCPVSA-N 1 3 308.426 -0.035 20 0 DBADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001268660928 835769848 /nfs/dbraw/zinc/76/98/48/835769848.db2.gz BBRKPUQUFDMIGF-CHWSQXEVSA-N 1 3 313.446 -0.308 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001268689613 835778556 /nfs/dbraw/zinc/77/85/56/835778556.db2.gz BFGBVCYMVGQOGD-GVXVVHGQSA-N 1 3 312.414 -0.528 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001268689614 835779002 /nfs/dbraw/zinc/77/90/02/835779002.db2.gz BFGBVCYMVGQOGD-LOWVWBTDSA-N 1 3 312.414 -0.528 20 0 DBADHO COC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001485624711 1013300717 /nfs/dbraw/zinc/30/07/17/1013300717.db2.gz WTRSPQZUMBKKAD-SYQHCUMBSA-N 1 3 322.409 -0.438 20 0 DBADHO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001485624711 1013300728 /nfs/dbraw/zinc/30/07/28/1013300728.db2.gz WTRSPQZUMBKKAD-SYQHCUMBSA-N 1 3 322.409 -0.438 20 0 DBADHO CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)[C@@H]1CCCN1C ZINC001497362439 1017354960 /nfs/dbraw/zinc/35/49/60/1017354960.db2.gz QWOXROZJLPEKAA-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001485954913 1013448375 /nfs/dbraw/zinc/44/83/75/1013448375.db2.gz AUFMAILTCLBZQP-NEPJUHHUSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001485954913 1013448381 /nfs/dbraw/zinc/44/83/81/1013448381.db2.gz AUFMAILTCLBZQP-NEPJUHHUSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cccc(CN(C)C)c1 ZINC001486066163 1013650448 /nfs/dbraw/zinc/65/04/48/1013650448.db2.gz NDGHWIGELDORFK-SWLSCSKDSA-N 1 3 309.410 -0.191 20 0 DBADHO C[C@@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1CCCC1 ZINC001486097469 1013672567 /nfs/dbraw/zinc/67/25/67/1013672567.db2.gz UDJFEKMBBPACLP-OCCSQVGLSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001486233846 1013722932 /nfs/dbraw/zinc/72/29/32/1013722932.db2.gz OIVYKLQXBFUVHD-RYUDHWBXSA-N 1 3 316.421 -0.022 20 0 DBADHO CO[C@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001486282069 1013783357 /nfs/dbraw/zinc/78/33/57/1013783357.db2.gz YOBTZIOPWYKISW-OLZOCXBDSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[N@@H+]1CC[C@H](NC[C@]23COCCN2C(=O)COC3)[C@H](C)C1 ZINC000866554704 977407740 /nfs/dbraw/zinc/40/77/40/977407740.db2.gz ISHVSMOGYYEYNB-IJEWVQPXSA-N 1 3 311.426 -0.066 20 0 DBADHO CC[N@H+]1CC[C@H](NC[C@]23COCCN2C(=O)COC3)[C@H](C)C1 ZINC000866554704 977407744 /nfs/dbraw/zinc/40/77/44/977407744.db2.gz ISHVSMOGYYEYNB-IJEWVQPXSA-N 1 3 311.426 -0.066 20 0 DBADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)n[nH]1 ZINC001051931552 977565261 /nfs/dbraw/zinc/56/52/61/977565261.db2.gz CSEHEWGQIOKPPE-CHWSQXEVSA-N 1 3 322.413 -0.618 20 0 DBADHO Cc1nc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)n[nH]1 ZINC001051931552 977565268 /nfs/dbraw/zinc/56/52/68/977565268.db2.gz CSEHEWGQIOKPPE-CHWSQXEVSA-N 1 3 322.413 -0.618 20 0 DBADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208055689 978312120 /nfs/dbraw/zinc/31/21/20/978312120.db2.gz CDTXBGPPAPNJPJ-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO CNC(=O)CN1CCO[C@H]2CN(CC3(C)CC[NH+](C)CC3)C[C@H]21 ZINC001208107065 978316919 /nfs/dbraw/zinc/31/69/19/978316919.db2.gz KEWSJLUNHKIAPW-CABCVRRESA-N 1 3 324.469 -0.151 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1)N(C)C ZINC001208414495 978361866 /nfs/dbraw/zinc/36/18/66/978361866.db2.gz RCYGTABBYQFWTP-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)CCC[NH+](C)C ZINC001208447869 978370928 /nfs/dbraw/zinc/37/09/28/978370928.db2.gz PVFOBTFANVUKGM-ZIAGYGMSSA-N 1 3 301.431 -0.226 20 0 DBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208638973 978397447 /nfs/dbraw/zinc/39/74/47/978397447.db2.gz NBLCCJLEAPZGLE-DGNOSDGRSA-N 1 3 323.437 -0.187 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001209302987 978445604 /nfs/dbraw/zinc/44/56/04/978445604.db2.gz ILBIYIHMDSPMPX-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209302972 978448245 /nfs/dbraw/zinc/44/82/45/978448245.db2.gz IATXGJPOISKSEU-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001209668809 978469092 /nfs/dbraw/zinc/46/90/92/978469092.db2.gz IORSFYVASWITQF-MCIONIFRSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1)N(C)C ZINC001209669636 978471255 /nfs/dbraw/zinc/47/12/55/978471255.db2.gz RCYGTABBYQFWTP-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001210217353 978503500 /nfs/dbraw/zinc/50/35/00/978503500.db2.gz HQCKJFRIOKCRLQ-QWHCGFSZSA-N 1 3 324.425 -0.286 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001210220743 978503844 /nfs/dbraw/zinc/50/38/44/978503844.db2.gz WLWDHUZSJPOELU-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329494 978509341 /nfs/dbraw/zinc/50/93/41/978509341.db2.gz AGBBOVYZLRYZJT-HZSPNIEDSA-N 1 3 311.426 -0.474 20 0 DBADHO O=C(CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC001210673245 978526054 /nfs/dbraw/zinc/52/60/54/978526054.db2.gz ARMKARHBFFFPBT-AWEZNQCLSA-N 1 3 320.437 -0.059 20 0 DBADHO C[C@H](N[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(N)=O ZINC001210685031 978527247 /nfs/dbraw/zinc/52/72/47/978527247.db2.gz LUBHJIGIMWZFBB-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001210811516 978533036 /nfs/dbraw/zinc/53/30/36/978533036.db2.gz PCWSYNACOOADRG-CHWSQXEVSA-N 1 3 324.425 -0.286 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001211063824 978554029 /nfs/dbraw/zinc/55/40/29/978554029.db2.gz AUQCKTXCWATHJU-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001211063824 978554035 /nfs/dbraw/zinc/55/40/35/978554035.db2.gz AUQCKTXCWATHJU-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001211279136 978563341 /nfs/dbraw/zinc/56/33/41/978563341.db2.gz WATMEBAZOLYJGI-CHWSQXEVSA-N 1 3 324.425 -0.288 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001215998937 978780344 /nfs/dbraw/zinc/78/03/44/978780344.db2.gz IVQJFEQFAZDDEG-JHJVBQTASA-N 1 3 324.425 -0.430 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001216001481 978781802 /nfs/dbraw/zinc/78/18/02/978781802.db2.gz DHRGUYFOWJOFPQ-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001216402026 978786516 /nfs/dbraw/zinc/78/65/16/978786516.db2.gz SMLBSNSYTPCSRL-CHWSQXEVSA-N 1 3 314.430 -0.863 20 0 DBADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750162 978791398 /nfs/dbraw/zinc/79/13/98/978791398.db2.gz RPHUOEXHBFGUJW-HZSPNIEDSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750162 978791400 /nfs/dbraw/zinc/79/14/00/978791400.db2.gz RPHUOEXHBFGUJW-HZSPNIEDSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(CCc2nnc([C@H]3C[NH2+]CC34CNC4)o2)C[C@H](C)O1 ZINC001217705048 978812638 /nfs/dbraw/zinc/81/26/38/978812638.db2.gz YOOKRZMLVPNKMC-FRRDWIJNSA-N 1 3 321.425 -0.002 20 0 DBADHO c1cc(O[C@H]2C[C@H]3C[NH2+]CCN3C2)n2nc3c(c2n1)CNCC3 ZINC001218078100 978820930 /nfs/dbraw/zinc/82/09/30/978820930.db2.gz HILBUFXQFJHJHG-RYUDHWBXSA-N 1 3 314.393 -0.200 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CCO[C@@]23CC[NH2+]C3)cc1 ZINC001218137762 978821048 /nfs/dbraw/zinc/82/10/48/978821048.db2.gz RIOWWBKJCZNENX-OFQRWUPVSA-N 1 3 305.378 -0.059 20 0 DBADHO Cn1c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)nnc1C(F)(F)F ZINC001218514957 978826673 /nfs/dbraw/zinc/82/66/73/978826673.db2.gz GFMKVTNFZXWKNL-LURJTMIESA-N 1 3 304.276 -0.419 20 0 DBADHO CN(C)c1ccncc1NC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001218563075 978831771 /nfs/dbraw/zinc/83/17/71/978831771.db2.gz JTPTXJVXAPPTBI-GFCCVEGCSA-N 1 3 306.414 -0.164 20 0 DBADHO N[C@H](C(=O)Nc1nccnc1N1CCOCC1)C1CC[NH2+]CC1 ZINC001218570471 978832328 /nfs/dbraw/zinc/83/23/28/978832328.db2.gz KIKKZDXHOQMMCJ-LBPRGKRZSA-N 1 3 320.397 -0.421 20 0 DBADHO COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218596507 978835272 /nfs/dbraw/zinc/83/52/72/978835272.db2.gz IVONYZOAAHZUAD-QMMMGPOBSA-N 1 3 312.326 -0.407 20 0 DBADHO CC(=O)NCCCC[C@H](N)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640138 978839492 /nfs/dbraw/zinc/83/94/92/978839492.db2.gz FRDYXFPGKXBZTQ-ZDUSSCGKSA-N 1 3 308.386 -0.400 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218668364 978842113 /nfs/dbraw/zinc/84/21/13/978842113.db2.gz CCZUPVLEFADUGJ-ZDUSSCGKSA-N 1 3 310.402 -0.780 20 0 DBADHO CN1CCNC[C@H]1C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696403 978845429 /nfs/dbraw/zinc/84/54/29/978845429.db2.gz UPBYCLLDFMMSSW-AWEZNQCLSA-N 1 3 318.425 -0.348 20 0 DBADHO O=C(Nc1cc2n(n1)CC(F)(F)CO2)[C@H]1C[NH2+]CC12CNC2 ZINC001218751383 978850619 /nfs/dbraw/zinc/85/06/19/978850619.db2.gz FUNAXSZMRVDWGY-MRVPVSSYSA-N 1 3 313.308 -0.342 20 0 DBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2n[nH]nc2c1 ZINC001218877941 978856676 /nfs/dbraw/zinc/85/66/76/978856676.db2.gz WOBGSQCHFMDUCF-NSHDSACASA-N 1 3 303.370 -0.353 20 0 DBADHO Nc1ccc(OCCO)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218919360 978860078 /nfs/dbraw/zinc/86/00/78/978860078.db2.gz NTUMZQBUXKFFCF-NSHDSACASA-N 1 3 306.366 -0.613 20 0 DBADHO COc1cc(NC(=O)[C@@H](N)CCC[NH3+])c(C(N)=O)cc1OC ZINC001218968874 978863135 /nfs/dbraw/zinc/86/31/35/978863135.db2.gz QQKMBLYVHIICQB-VIFPVBQESA-N 1 3 310.354 -0.193 20 0 DBADHO [NH3+]CCNC(=O)/C=C/C(=O)Nc1ccc2c(c1)CNCCO2 ZINC001219025677 978864511 /nfs/dbraw/zinc/86/45/11/978864511.db2.gz PWPFPPSGBYVFCF-ONEGZZNKSA-N 1 3 304.350 -0.262 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219538418 978961066 /nfs/dbraw/zinc/96/10/66/978961066.db2.gz YVGSXSFTQHPXNV-AVWBDOJWSA-N 1 3 318.377 -0.075 20 0 DBADHO O=C(NCCN1CCCCC1=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219568027 978967784 /nfs/dbraw/zinc/96/77/84/978967784.db2.gz WKCCOOGMGPECOF-CYBMUJFWSA-N 1 3 308.426 -0.011 20 0 DBADHO O=C(NCCN1CCCCC1=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219568027 978967789 /nfs/dbraw/zinc/96/77/89/978967789.db2.gz WKCCOOGMGPECOF-CYBMUJFWSA-N 1 3 308.426 -0.011 20 0 DBADHO C[C@H]1CC[C@H](NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[NH2+]1 ZINC001219582378 978971485 /nfs/dbraw/zinc/97/14/85/978971485.db2.gz DMQRYBYKOFSLQA-DCAQKATOSA-N 1 3 301.412 -0.980 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)COC1(C)C ZINC001219589589 978973532 /nfs/dbraw/zinc/97/35/32/978973532.db2.gz YSAOIOGOGXZVBZ-BJDJZHNGSA-N 1 3 312.414 -0.446 20 0 DBADHO CN[C@H](C(=O)N(CC[NH3+])S(C)(=O)=O)[C@@H](C)OC(C)(C)C ZINC001219595855 978975008 /nfs/dbraw/zinc/97/50/08/978975008.db2.gz TTXWLFRIXTXABQ-ZJUUUORDSA-N 1 3 309.432 -0.475 20 0 DBADHO Cc1cccn2c(CNC(=O)[C@H]3C[NH2+]CC34CNC4)nnc12 ZINC001219597563 978976280 /nfs/dbraw/zinc/97/62/80/978976280.db2.gz LXKBVUDPFKWFRW-LLVKDONJSA-N 1 3 300.366 -0.537 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610308 978979373 /nfs/dbraw/zinc/97/93/73/978979373.db2.gz NKUZYJMUYNQSKM-HGWRIEFJSA-N 1 3 301.334 -0.507 20 0 DBADHO N[C@@H](CCOCc1ccccc1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696557 978995113 /nfs/dbraw/zinc/99/51/13/978995113.db2.gz KCEUMADCELOOKN-AWEZNQCLSA-N 1 3 307.394 -0.239 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CN(C)CCO1 ZINC001219695854 978996300 /nfs/dbraw/zinc/99/63/00/978996300.db2.gz ZTZTZJBMWNLXMC-KGLIPLIRSA-N 1 3 300.447 -0.071 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741828 979004782 /nfs/dbraw/zinc/00/47/82/979004782.db2.gz VNRUCFOPLRVGDW-STQMWFEESA-N 1 3 307.398 -0.303 20 0 DBADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741828 979004788 /nfs/dbraw/zinc/00/47/88/979004788.db2.gz VNRUCFOPLRVGDW-STQMWFEESA-N 1 3 307.398 -0.303 20 0 DBADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)c1ccc2c(n1)CCNC2 ZINC001219739318 979005107 /nfs/dbraw/zinc/00/51/07/979005107.db2.gz LTKDYXPRALTMRU-GFCCVEGCSA-N 1 3 302.378 -0.164 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219771776 979010174 /nfs/dbraw/zinc/01/01/74/979010174.db2.gz RQITWWMLRVYAJJ-VHRBIJSZSA-N 1 3 302.394 -0.316 20 0 DBADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1cnn2c1CNCC2 ZINC001219769682 979011491 /nfs/dbraw/zinc/01/14/91/979011491.db2.gz YUVIOZMQGWTUEG-NEPJUHHUSA-N 1 3 304.398 -0.990 20 0 DBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1cnn2c1CNCC2 ZINC001219769682 979011499 /nfs/dbraw/zinc/01/14/99/979011499.db2.gz YUVIOZMQGWTUEG-NEPJUHHUSA-N 1 3 304.398 -0.990 20 0 DBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1cnn2c1CNCC2 ZINC001219769682 979011504 /nfs/dbraw/zinc/01/15/04/979011504.db2.gz YUVIOZMQGWTUEG-NEPJUHHUSA-N 1 3 304.398 -0.990 20 0 DBADHO NC(=O)c1ccc(C[C@H](N)C(=O)NC[C@@]2(F)CCC[NH2+]C2)cc1 ZINC001219768433 979012015 /nfs/dbraw/zinc/01/20/15/979012015.db2.gz MNPGCDXUGLNNHQ-XJKSGUPXSA-N 1 3 322.384 -0.137 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816522 979024737 /nfs/dbraw/zinc/02/47/37/979024737.db2.gz NIUOGGKUVRXPPS-MCIONIFRSA-N 1 3 319.409 -0.018 20 0 DBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1CNC[C@H](F)C1 ZINC001219835249 979027652 /nfs/dbraw/zinc/02/76/52/979027652.db2.gz ZULSTOMWNWZSAV-COMQUAJESA-N 1 3 315.389 -0.555 20 0 DBADHO N[C@H](Cc1cccc(O)c1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847343 979030185 /nfs/dbraw/zinc/03/01/85/979030185.db2.gz DNAVIIBKYYSZRM-CBBWQLFWSA-N 1 3 305.378 -0.102 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219847714 979030672 /nfs/dbraw/zinc/03/06/72/979030672.db2.gz PUJDDKYMJOJAJI-XDQVBPFNSA-N 1 3 309.410 -0.219 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219847283 979031058 /nfs/dbraw/zinc/03/10/58/979031058.db2.gz BSTBXFXRYWZNMN-RBGFHDKUSA-N 1 3 322.453 -0.304 20 0 DBADHO N[C@H]1CCCCN(CC(=O)NC[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)C1=O ZINC001219852194 979032265 /nfs/dbraw/zinc/03/22/65/979032265.db2.gz NTGZEKYZWVDCCD-XDQVBPFNSA-N 1 3 324.425 -0.933 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219849763 979032320 /nfs/dbraw/zinc/03/23/20/979032320.db2.gz IHHVUMRCCHCTMW-UVPYHEFZSA-N 1 3 322.453 -0.162 20 0 DBADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1[nH]nc2c1CNCC2 ZINC001219854517 979032423 /nfs/dbraw/zinc/03/24/23/979032423.db2.gz LABFSDFFVSEERJ-OUJBWJOFSA-N 1 3 305.382 -0.590 20 0 DBADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1[nH]nc2c1CCNC2 ZINC001219854315 979032929 /nfs/dbraw/zinc/03/29/29/979032929.db2.gz HRXOIDHNZVVGQZ-XHVZSJERSA-N 1 3 305.382 -0.590 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCC[NH3+] ZINC001219872370 979036816 /nfs/dbraw/zinc/03/68/16/979036816.db2.gz AJMCJODDYGYNEO-DCAQKATOSA-N 1 3 304.460 -0.327 20 0 DBADHO COC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccc(O)cc1 ZINC001219885259 979037790 /nfs/dbraw/zinc/03/77/90/979037790.db2.gz MIQQWNGDJPGLGY-QWHCGFSZSA-N 1 3 319.361 -0.469 20 0 DBADHO CN1C(=O)CCC12CCC(NC(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001219896082 979041262 /nfs/dbraw/zinc/04/12/62/979041262.db2.gz KWPKUFWPEBXKTG-UIORMTCPSA-N 1 3 320.437 -0.155 20 0 DBADHO CCOC(=O)C(=CNC(=O)[C@@H](N)CCC[NH3+])C(=O)OCC ZINC001220041655 979074282 /nfs/dbraw/zinc/07/42/82/979074282.db2.gz VLZLFLKRMFZDEC-JTQLQIEISA-N 1 3 301.343 -0.821 20 0 DBADHO COc1ncnc(OC)c1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220045171 979074898 /nfs/dbraw/zinc/07/48/98/979074898.db2.gz OJGWYRPJGSSXCD-MEBBXXQBSA-N 1 3 321.381 -0.691 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCC[NH2+]C ZINC001220055864 979078114 /nfs/dbraw/zinc/07/81/14/979078114.db2.gz GGONABKBEARYKW-SRVKXCTJSA-N 1 3 318.487 -0.067 20 0 DBADHO O=C(Nc1cc(=O)[nH]c(=O)n1C1CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220066193 979083817 /nfs/dbraw/zinc/08/38/17/979083817.db2.gz UIHOIRVBEZZAEY-VIFPVBQESA-N 1 3 305.338 -0.969 20 0 DBADHO CCOC(=O)CC1(NC(=O)[C@@H](N)CCCC[NH+](C)C)COC1 ZINC001220215021 979135718 /nfs/dbraw/zinc/13/57/18/979135718.db2.gz JGLDLGKCPQBGGD-LBPRGKRZSA-N 1 3 315.414 -0.116 20 0 DBADHO COCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220214954 979136697 /nfs/dbraw/zinc/13/66/97/979136697.db2.gz RXLSEBKMOGRVRV-XQLPTFJDSA-N 1 3 313.442 -0.086 20 0 DBADHO COCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001220214954 979136701 /nfs/dbraw/zinc/13/67/01/979136701.db2.gz RXLSEBKMOGRVRV-XQLPTFJDSA-N 1 3 313.442 -0.086 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311913 979161266 /nfs/dbraw/zinc/16/12/66/979161266.db2.gz TYCFLHWGESFXAW-LBPRGKRZSA-N 1 3 317.397 -0.704 20 0 DBADHO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ncn2c1CNCCC2 ZINC001220313387 979161280 /nfs/dbraw/zinc/16/12/80/979161280.db2.gz OOIIXLHXDOCHOF-BXUZGUMPSA-N 1 3 321.381 -0.856 20 0 DBADHO C[NH2+][C@H]1CCCN(CC(=O)NCc2ncn3c2CNCCC3)C1 ZINC001220313625 979162463 /nfs/dbraw/zinc/16/24/63/979162463.db2.gz RNJBUXAJOAREIE-ZDUSSCGKSA-N 1 3 320.441 -0.324 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220317548 979165231 /nfs/dbraw/zinc/16/52/31/979165231.db2.gz ZWNVMMKSBGFEDP-CORIIIEPSA-N 1 3 307.398 -0.683 20 0 DBADHO Cn1cc(Br)c(CNC(=O)[C@H](N)CCC[NH3+])n1 ZINC001220335434 979172957 /nfs/dbraw/zinc/17/29/57/979172957.db2.gz MTHTUKPPXMEWHP-MRVPVSSYSA-N 1 3 304.192 -0.135 20 0 DBADHO [NH3+]CCC[C@@H]([NH3+])C(=O)Nc1ncc(Br)[n-]c1=O ZINC001220398895 979189339 /nfs/dbraw/zinc/18/93/39/979189339.db2.gz RJEOORILIINTSA-RXMQYKEDSA-N 1 3 304.148 -0.463 20 0 DBADHO O=C(NC[C@@H](CO)Cc1ccccc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220405846 979190920 /nfs/dbraw/zinc/19/09/20/979190920.db2.gz DVXOZTFCIBDWHO-LSDHHAIUSA-N 1 3 303.406 -0.237 20 0 DBADHO O=C(N[C@H]1C(=O)NCc2ccccc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220403480 979192034 /nfs/dbraw/zinc/19/20/34/979192034.db2.gz SKDVEUWSXOXITJ-CHWSQXEVSA-N 1 3 300.362 -0.717 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H](CO)Cc1ccccc1 ZINC001220406542 979192398 /nfs/dbraw/zinc/19/23/98/979192398.db2.gz SMGJLYRKMVFSON-KBPBESRZSA-N 1 3 311.451 -0.027 20 0 DBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H](F)CCN2)O1 ZINC001220481317 979208557 /nfs/dbraw/zinc/20/85/57/979208557.db2.gz CZUYVDIAAJVVMY-ROEYZRMQSA-N 1 3 303.378 -0.083 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220788813 979284359 /nfs/dbraw/zinc/28/43/59/979284359.db2.gz GSNUEUYZSNMZFH-DKIAMSCKSA-N 1 3 324.450 -0.056 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805454 979290842 /nfs/dbraw/zinc/29/08/42/979290842.db2.gz RXJALEDTLRVYTH-UTDXWOPCSA-N 1 3 315.361 -0.261 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805446 979291689 /nfs/dbraw/zinc/29/16/89/979291689.db2.gz RXJALEDTLRVYTH-GBJXRQAHSA-N 1 3 315.361 -0.261 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220800271 979291993 /nfs/dbraw/zinc/29/19/93/979291993.db2.gz OALVVHICAYUFHA-VGMNWLOBSA-N 1 3 311.304 -0.077 20 0 DBADHO COC(=O)C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccccn1 ZINC001220900527 979319604 /nfs/dbraw/zinc/31/96/04/979319604.db2.gz MAFXWZLGHUGGMN-YPMHNXCESA-N 1 3 318.377 -0.389 20 0 DBADHO [NH3+]CCNCC(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001220926669 979326676 /nfs/dbraw/zinc/32/66/76/979326676.db2.gz VRVXWGZTSUYAQW-UHFFFAOYSA-N 1 3 305.426 -0.042 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937336 979332486 /nfs/dbraw/zinc/33/24/86/979332486.db2.gz PLQIAWHWLJDDFD-XQQFMLRXSA-N 1 3 314.430 -0.641 20 0 DBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220960874 979336309 /nfs/dbraw/zinc/33/63/09/979336309.db2.gz VQXNKMRVEKPFKS-WOPDTQHZSA-N 1 3 301.387 -0.473 20 0 DBADHO [NH3+]C1(CC2CCC2)CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001220972970 979336948 /nfs/dbraw/zinc/33/69/48/979336948.db2.gz QDYJAWBEYPCSEM-CQSZACIVSA-N 1 3 322.453 -0.173 20 0 DBADHO O=C(NCC1(c2cnccn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220993035 979342157 /nfs/dbraw/zinc/34/21/57/979342157.db2.gz YQWBOFKFOVBZBC-MLGOLLRUSA-N 1 3 301.394 -0.177 20 0 DBADHO CN1CCNC[C@@H]1C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124110 979368415 /nfs/dbraw/zinc/36/84/15/979368415.db2.gz WPJHQCCYAKNIAA-CQSZACIVSA-N 1 3 303.410 -0.320 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001221153106 979374735 /nfs/dbraw/zinc/37/47/35/979374735.db2.gz ASGFDDHVCSTCQJ-GFCCVEGCSA-N 1 3 320.397 -0.316 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001221153108 979375400 /nfs/dbraw/zinc/37/54/00/979375400.db2.gz ASGFDDHVCSTCQJ-LBPRGKRZSA-N 1 3 320.397 -0.316 20 0 DBADHO O=C(NCc1cc(OCC2CC2)ncn1)[C@H]1C[NH2+]CC12CNC2 ZINC001221158239 979377399 /nfs/dbraw/zinc/37/73/99/979377399.db2.gz VXPVLDFQEYMQLP-CYBMUJFWSA-N 1 3 317.393 -0.309 20 0 DBADHO O=C(NC[C@]1(CC2CC2)CCC[NH2+]1)[C@H]1COC2(CNC2)CN1 ZINC001221248356 979391621 /nfs/dbraw/zinc/39/16/21/979391621.db2.gz SYWLAWOWPHPTAZ-UKRRQHHQSA-N 1 3 308.426 -0.645 20 0 DBADHO CC(=O)OCN1CCC(NC(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001221258848 979394245 /nfs/dbraw/zinc/39/42/45/979394245.db2.gz PGXKCOMIHBXVKZ-LBPRGKRZSA-N 1 3 318.443 -0.893 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H]1c2ccccc2NC1=O ZINC001221309997 979401410 /nfs/dbraw/zinc/40/14/10/979401410.db2.gz ZTEOCISHODHLDO-MNOVXSKESA-N 1 3 308.407 -0.142 20 0 DBADHO N[C@@H](C(=O)NCCNC(=O)c1cccs1)C1CC[NH2+]CC1 ZINC001221309187 979402122 /nfs/dbraw/zinc/40/21/22/979402122.db2.gz KDYJETCRVLQJFV-GFCCVEGCSA-N 1 3 310.423 -0.079 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221333178 979405507 /nfs/dbraw/zinc/40/55/07/979405507.db2.gz PHPDHRZCCLFTOL-RXSFTSLZSA-N 1 3 309.435 -0.006 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]C[C@@H](O)C3)CC2)NC1 ZINC001221392662 979410136 /nfs/dbraw/zinc/41/01/36/979410136.db2.gz YTFMPOMNPGMCRD-OCCSQVGLSA-N 1 3 306.410 -0.475 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]CC[C@@H]3O)CC2)NC1 ZINC001221390168 979411324 /nfs/dbraw/zinc/41/13/24/979411324.db2.gz BDQCBMLUAOEZAO-HIFRSBDPSA-N 1 3 306.410 -0.475 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4N3)CC2)NC1 ZINC001221391460 979411807 /nfs/dbraw/zinc/41/18/07/979411807.db2.gz NQEIJGCRWYFFJO-VBNZEHGJSA-N 1 3 317.437 -0.495 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221397072 979414321 /nfs/dbraw/zinc/41/43/21/979414321.db2.gz DWIVRBAHWYQEKU-YQQAZPJKSA-N 1 3 300.406 -0.231 20 0 DBADHO CN1CCC(CO)(NC(=O)[C@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001221402936 979414592 /nfs/dbraw/zinc/41/45/92/979414592.db2.gz NWYGCZFEXPKRDW-LSDHHAIUSA-N 1 3 324.469 -0.367 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398519 979416228 /nfs/dbraw/zinc/41/62/28/979416228.db2.gz COHKWDNHFIALAQ-RXSFTSLZSA-N 1 3 309.435 -0.087 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N[C@@H](C2CCC2)C2C[NH2+]C2)C1=O ZINC001221409755 979419164 /nfs/dbraw/zinc/41/91/64/979419164.db2.gz OKQJMEYMNFXHRX-ZFWWWQNUSA-N 1 3 308.426 -0.170 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221415197 979419546 /nfs/dbraw/zinc/41/95/46/979419546.db2.gz ZXSDRAZOTBXIMS-NZVBXONLSA-N 1 3 310.442 -0.020 20 0 DBADHO c1cc(N2CC[NH2+]CC2)ncc1CN1CC2(C1)CNCCO2 ZINC001222447377 979512426 /nfs/dbraw/zinc/51/24/26/979512426.db2.gz UFRUNYGZXBGDCL-UHFFFAOYSA-N 1 3 303.410 -0.335 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CCC(F)(C[NH3+])CC2)O1 ZINC001222527056 979516218 /nfs/dbraw/zinc/51/62/18/979516218.db2.gz HUEPAGKQDAEZNV-GRYCIOLGSA-N 1 3 306.378 -0.378 20 0 DBADHO O=C1NCC[C@]12CN(Cc1ccc3n1CCNC3)CC21C[NH2+]C1 ZINC001222521566 979516618 /nfs/dbraw/zinc/51/66/18/979516618.db2.gz WFKSNZSDMLCDEA-KRWDZBQOSA-N 1 3 315.421 -0.497 20 0 DBADHO c1c(CN2CCNC[C@]3(CCCC[NH2+]3)C2)nc2n1CCNC2 ZINC001222674754 979524134 /nfs/dbraw/zinc/52/41/34/979524134.db2.gz PQEBMRCEQIMMGL-MRXNPFEDSA-N 1 3 304.442 -0.096 20 0 DBADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001488831800 1014593801 /nfs/dbraw/zinc/59/38/01/1014593801.db2.gz PBGFHBDETXEGFH-AVGNSLFASA-N 1 3 308.426 -0.156 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCOCCO)C1 ZINC001326224130 979730605 /nfs/dbraw/zinc/73/06/05/979730605.db2.gz LKGSJZCMKLYTMO-GJZGRUSLSA-N 1 3 313.442 -0.082 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOCCO)C1 ZINC001326224128 979731317 /nfs/dbraw/zinc/73/13/17/979731317.db2.gz LKGSJZCMKLYTMO-CABCVRRESA-N 1 3 313.442 -0.082 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CC(F)(F)C1 ZINC001346423964 980143813 /nfs/dbraw/zinc/14/38/13/980143813.db2.gz NHNMFRAPQOFVIK-UHFFFAOYSA-N 1 3 320.384 -0.148 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC001349807777 980511533 /nfs/dbraw/zinc/51/15/33/980511533.db2.gz IQJVQOGKRUEJTM-GWCFXTLKSA-N 1 3 302.444 -0.607 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCC2=CC[NH2+]CC2)n1 ZINC001350323183 980559656 /nfs/dbraw/zinc/55/96/56/980559656.db2.gz OUEOYFQNKHPGFL-UHFFFAOYSA-N 1 3 306.370 -0.250 20 0 DBADHO C[NH2+]CCOCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001357518940 981066110 /nfs/dbraw/zinc/06/61/10/981066110.db2.gz PAGCZLAFTIAVNO-ZIAGYGMSSA-N 1 3 314.430 -0.537 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001357671558 981080613 /nfs/dbraw/zinc/08/06/13/981080613.db2.gz MJUGXDBDRWKQIU-JHZNUDOXSA-N 1 3 308.426 -0.037 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001357671558 981080618 /nfs/dbraw/zinc/08/06/18/981080618.db2.gz MJUGXDBDRWKQIU-JHZNUDOXSA-N 1 3 308.426 -0.037 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCOCCO)[C@@H]2C)CC[N@@H+]1C ZINC001489263665 1014724389 /nfs/dbraw/zinc/72/43/89/1014724389.db2.gz RKXZFDKXDBBMRA-TUVASFSCSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H]2CCN(CCOCCO)[C@@H]2C)CC[N@H+]1C ZINC001489263665 1014724412 /nfs/dbraw/zinc/72/44/12/1014724412.db2.gz RKXZFDKXDBBMRA-TUVASFSCSA-N 1 3 313.442 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001530553113 1014736819 /nfs/dbraw/zinc/73/68/19/1014736819.db2.gz PKQHGPKOIUEURD-ZDUSSCGKSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001530553113 1014736828 /nfs/dbraw/zinc/73/68/28/1014736828.db2.gz PKQHGPKOIUEURD-ZDUSSCGKSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)CCCS(=O)(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC001364952492 983211645 /nfs/dbraw/zinc/21/16/45/983211645.db2.gz LBSKFTMKNGQHIT-UHFFFAOYSA-N 1 3 307.460 -0.344 20 0 DBADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001490356391 1014942665 /nfs/dbraw/zinc/94/26/65/1014942665.db2.gz GZYDKHXFBURWME-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001490356391 1014942683 /nfs/dbraw/zinc/94/26/83/1014942683.db2.gz GZYDKHXFBURWME-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001365813929 983541276 /nfs/dbraw/zinc/54/12/76/983541276.db2.gz CIGNHRHWVLKQSL-FRRDWIJNSA-N 1 3 319.471 -0.144 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1)N(C)C ZINC001365871047 983569070 /nfs/dbraw/zinc/56/90/70/983569070.db2.gz DDOUSNPGJRPWES-KGLIPLIRSA-N 1 3 301.431 -0.396 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001365908098 983589299 /nfs/dbraw/zinc/58/92/99/983589299.db2.gz XNEYTXMAXAQLQY-HNNXBMFYSA-N 1 3 313.442 -0.252 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001365908098 983589306 /nfs/dbraw/zinc/58/93/06/983589306.db2.gz XNEYTXMAXAQLQY-HNNXBMFYSA-N 1 3 313.442 -0.252 20 0 DBADHO C[C@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001366096700 983690016 /nfs/dbraw/zinc/69/00/16/983690016.db2.gz BFTYJWXPFVYALT-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001366098563 983693331 /nfs/dbraw/zinc/69/33/31/983693331.db2.gz NUXXBWRXHPFOLC-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001366103130 983697345 /nfs/dbraw/zinc/69/73/45/983697345.db2.gz QMIWLXSKMNDLGQ-ZDUSSCGKSA-N 1 3 311.430 -0.456 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366203157 983738219 /nfs/dbraw/zinc/73/82/19/983738219.db2.gz MTHVKWDFBFCYBV-OCCSQVGLSA-N 1 3 310.398 -0.212 20 0 DBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001366235705 983748031 /nfs/dbraw/zinc/74/80/31/983748031.db2.gz OBRXPSISADYIGF-JHZZJYKESA-N 1 3 320.437 -0.204 20 0 DBADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001366235705 983748033 /nfs/dbraw/zinc/74/80/33/983748033.db2.gz OBRXPSISADYIGF-JHZZJYKESA-N 1 3 320.437 -0.204 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001366392286 983822460 /nfs/dbraw/zinc/82/24/60/983822460.db2.gz OCKKMLKAKBVLNC-LSDHHAIUSA-N 1 3 321.425 -0.470 20 0 DBADHO COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001366706881 983932850 /nfs/dbraw/zinc/93/28/50/983932850.db2.gz XXXNMRQNIZXUSW-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001366706881 983932865 /nfs/dbraw/zinc/93/28/65/983932865.db2.gz XXXNMRQNIZXUSW-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C ZINC001366822082 984006853 /nfs/dbraw/zinc/00/68/53/984006853.db2.gz MJPWLEXTUUZBJQ-WDEREUQCSA-N 1 3 315.418 -0.781 20 0 DBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001366900632 984048278 /nfs/dbraw/zinc/04/82/78/984048278.db2.gz GXLZQXDWRPIHSO-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CNC(=O)CNC[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367200287 984212392 /nfs/dbraw/zinc/21/23/92/984212392.db2.gz SOGRFBAVVOWNLU-LRDDRELGSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367200287 984212395 /nfs/dbraw/zinc/21/23/95/984212395.db2.gz SOGRFBAVVOWNLU-LRDDRELGSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001367404221 984299593 /nfs/dbraw/zinc/29/95/93/984299593.db2.gz SUDGZSNSYCYWSD-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367588036 984392982 /nfs/dbraw/zinc/39/29/82/984392982.db2.gz ZDHUTBLIBQJISQ-CHWSQXEVSA-N 1 3 314.430 -0.938 20 0 DBADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001367588036 984392991 /nfs/dbraw/zinc/39/29/91/984392991.db2.gz ZDHUTBLIBQJISQ-CHWSQXEVSA-N 1 3 314.430 -0.938 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCN1C(C)C ZINC001367588036 984393002 /nfs/dbraw/zinc/39/30/02/984393002.db2.gz ZDHUTBLIBQJISQ-CHWSQXEVSA-N 1 3 314.430 -0.938 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001367599831 984417610 /nfs/dbraw/zinc/41/76/10/984417610.db2.gz JMJWHFKIQPRNCJ-ZDUSSCGKSA-N 1 3 309.414 -0.671 20 0 DBADHO Cc1cc(CNC[C@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)nn1C ZINC001367601066 984423458 /nfs/dbraw/zinc/42/34/58/984423458.db2.gz AETJQQHFHZUSJD-GJZGRUSLSA-N 1 3 323.441 -0.220 20 0 DBADHO Cc1cc(CNC[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1C ZINC001367601066 984423472 /nfs/dbraw/zinc/42/34/72/984423472.db2.gz AETJQQHFHZUSJD-GJZGRUSLSA-N 1 3 323.441 -0.220 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001367605735 984435470 /nfs/dbraw/zinc/43/54/70/984435470.db2.gz UIJSKXBTYKTCRW-GFCCVEGCSA-N 1 3 310.402 -0.978 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001367618411 984474823 /nfs/dbraw/zinc/47/48/23/984474823.db2.gz NVJUXRLEBDFMLU-RYUDHWBXSA-N 1 3 316.446 -0.835 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001367706525 984552991 /nfs/dbraw/zinc/55/29/91/984552991.db2.gz NKZVLWMNKNCDFQ-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CN(CC(=O)NC[C@H]([NH2+][C@@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001490673982 1015077805 /nfs/dbraw/zinc/07/78/05/1015077805.db2.gz OBHXINJSWIEGOU-KGLIPLIRSA-N 1 3 308.426 -0.156 20 0 DBADHO NC(=O)CN[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001490679863 1015078189 /nfs/dbraw/zinc/07/81/89/1015078189.db2.gz OZBSODOGGGHEIQ-ZDUSSCGKSA-N 1 3 308.426 -0.168 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nncn1C ZINC001368344487 985104033 /nfs/dbraw/zinc/10/40/33/985104033.db2.gz BTKOLSURBTUXBG-QWHCGFSZSA-N 1 3 308.430 -0.049 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001490734746 1015100962 /nfs/dbraw/zinc/10/09/62/1015100962.db2.gz FALVUELQEBWJJV-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001490734746 1015100980 /nfs/dbraw/zinc/10/09/80/1015100980.db2.gz FALVUELQEBWJJV-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO C[NH+]1CCC(CC(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001368522182 985245105 /nfs/dbraw/zinc/24/51/05/985245105.db2.gz CTMPWDDLOCRJMN-ZDUSSCGKSA-N 1 3 312.414 -0.979 20 0 DBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001368590846 985295522 /nfs/dbraw/zinc/29/55/22/985295522.db2.gz OBLWCCQTOKJLKR-IHRRRGAJSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001368881614 985533245 /nfs/dbraw/zinc/53/32/45/985533245.db2.gz PRRQHDNHPZOAGV-NWDGAFQWSA-N 1 3 324.429 -0.713 20 0 DBADHO COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001369080575 985705465 /nfs/dbraw/zinc/70/54/65/985705465.db2.gz FLZMDDMQINDAPV-OCCSQVGLSA-N 1 3 313.442 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001369162858 985786376 /nfs/dbraw/zinc/78/63/76/985786376.db2.gz SDRMPSVPCGMRTI-NEPJUHHUSA-N 1 3 300.403 -0.983 20 0 DBADHO COC[C@H](O)C[N@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001369191700 985803394 /nfs/dbraw/zinc/80/33/94/985803394.db2.gz WNFALLDBMDEAKX-CQSZACIVSA-N 1 3 310.398 -0.118 20 0 DBADHO COC[C@H](O)C[N@@H+](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001369191700 985803399 /nfs/dbraw/zinc/80/33/99/985803399.db2.gz WNFALLDBMDEAKX-CQSZACIVSA-N 1 3 310.398 -0.118 20 0 DBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](CNCC(=O)N1CCC1)C1CC1 ZINC001369222316 985814303 /nfs/dbraw/zinc/81/43/03/985814303.db2.gz MINMHAKMUQCERP-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H](CNCC(=O)N1CCC1)C1CC1 ZINC001369222316 985814314 /nfs/dbraw/zinc/81/43/14/985814314.db2.gz MINMHAKMUQCERP-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001369340254 985923617 /nfs/dbraw/zinc/92/36/17/985923617.db2.gz PLGZIFZNWSMOMW-LSDHHAIUSA-N 1 3 323.441 -0.177 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001369402196 986044941 /nfs/dbraw/zinc/04/49/41/986044941.db2.gz QORUKFYEOXURTP-GHMZBOCLSA-N 1 3 313.402 -0.900 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001369402197 986052599 /nfs/dbraw/zinc/05/25/99/986052599.db2.gz QORUKFYEOXURTP-MNOVXSKESA-N 1 3 313.402 -0.900 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001369465464 986136925 /nfs/dbraw/zinc/13/69/25/986136925.db2.gz GRENFRIEQYGPEJ-QWHCGFSZSA-N 1 3 314.430 -0.986 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001369465464 986136942 /nfs/dbraw/zinc/13/69/42/986136942.db2.gz GRENFRIEQYGPEJ-QWHCGFSZSA-N 1 3 314.430 -0.986 20 0 DBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001369480569 986187164 /nfs/dbraw/zinc/18/71/64/986187164.db2.gz OIRPREGAGKCPMW-DZGCQCFKSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001369480569 986187218 /nfs/dbraw/zinc/18/72/18/986187218.db2.gz OIRPREGAGKCPMW-DZGCQCFKSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369484133 986201189 /nfs/dbraw/zinc/20/11/89/986201189.db2.gz OATWDYOPHVKYCB-KGLIPLIRSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369484133 986201214 /nfs/dbraw/zinc/20/12/14/986201214.db2.gz OATWDYOPHVKYCB-KGLIPLIRSA-N 1 3 309.414 -0.719 20 0 DBADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)CNCC(=O)N(C)C)[NH+](C)C ZINC001369483510 986202533 /nfs/dbraw/zinc/20/25/33/986202533.db2.gz NHUFDARHXUDOBU-TZMCWYRMSA-N 1 3 316.446 -0.930 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC ZINC001369492634 986226050 /nfs/dbraw/zinc/22/60/50/986226050.db2.gz WFASFPYMBCDOTK-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001370169777 986626790 /nfs/dbraw/zinc/62/67/90/986626790.db2.gz CZOOLOWGUIBWBX-BNOWGMLFSA-N 1 3 310.442 -0.053 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001370169777 986626803 /nfs/dbraw/zinc/62/68/03/986626803.db2.gz CZOOLOWGUIBWBX-BNOWGMLFSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H](NCCS(C)(=O)=O)C1 ZINC001370703125 986904061 /nfs/dbraw/zinc/90/40/61/986904061.db2.gz JSYKSBXLNUXICH-TXEJJXNPSA-N 1 3 305.444 -0.390 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H]1C[C@@H](NCCS(C)(=O)=O)C1 ZINC001370703125 986904072 /nfs/dbraw/zinc/90/40/72/986904072.db2.gz JSYKSBXLNUXICH-TXEJJXNPSA-N 1 3 305.444 -0.390 20 0 DBADHO C[NH+](C)CCC(=O)N1CCCC[C@H]1CNCC(=O)NC(N)=O ZINC001370929642 987072351 /nfs/dbraw/zinc/07/23/51/987072351.db2.gz LSZILUOPGJTWDF-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)N[C@@H]1CCNC1=O ZINC001371182540 987263364 /nfs/dbraw/zinc/26/33/64/987263364.db2.gz YQBASLRKWDOCBA-NWDGAFQWSA-N 1 3 322.413 -0.959 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCC(=O)NC(N)=O ZINC001371331763 987318537 /nfs/dbraw/zinc/31/85/37/987318537.db2.gz FSSHFUSEIAGBAL-VWYCJHECSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCC(=O)NC(N)=O ZINC001371331763 987318541 /nfs/dbraw/zinc/31/85/41/987318541.db2.gz FSSHFUSEIAGBAL-VWYCJHECSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001371365786 987327877 /nfs/dbraw/zinc/32/78/77/987327877.db2.gz RUBSKVLMZCNWFW-QMTHXVAHSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001371365786 987327880 /nfs/dbraw/zinc/32/78/80/987327880.db2.gz RUBSKVLMZCNWFW-QMTHXVAHSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001371615733 987443081 /nfs/dbraw/zinc/44/30/81/987443081.db2.gz NPDBSXDLWNUYON-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001371615751 987443694 /nfs/dbraw/zinc/44/36/94/987443694.db2.gz NPDBSXDLWNUYON-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001371984428 987587628 /nfs/dbraw/zinc/58/76/28/987587628.db2.gz JPWCPKWBRKKBFF-UHFFFAOYSA-N 1 3 307.398 -0.035 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001371984428 987587636 /nfs/dbraw/zinc/58/76/36/987587636.db2.gz JPWCPKWBRKKBFF-UHFFFAOYSA-N 1 3 307.398 -0.035 20 0 DBADHO COC[C@H](O)CN1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001372564819 987809110 /nfs/dbraw/zinc/80/91/10/987809110.db2.gz GKTLVIKKVRGBED-UONOGXRCSA-N 1 3 311.426 -0.330 20 0 DBADHO COC[C@@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373301564 988212265 /nfs/dbraw/zinc/21/22/65/988212265.db2.gz QEAYCEZLIOFNOX-OCCSQVGLSA-N 1 3 310.398 -0.260 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373301564 988212280 /nfs/dbraw/zinc/21/22/80/988212280.db2.gz QEAYCEZLIOFNOX-OCCSQVGLSA-N 1 3 310.398 -0.260 20 0 DBADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)[C@@H]1CCCN1C ZINC001373466042 988377377 /nfs/dbraw/zinc/37/73/77/988377377.db2.gz XROWXFZCFINRHD-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001373530250 988426671 /nfs/dbraw/zinc/42/66/71/988426671.db2.gz CUPIIBXBSSSQIF-UONOGXRCSA-N 1 3 301.431 -0.372 20 0 DBADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001373571722 988458506 /nfs/dbraw/zinc/45/85/06/988458506.db2.gz AUJASIOPKAKDMA-LBPRGKRZSA-N 1 3 307.398 -0.131 20 0 DBADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001373571722 988458509 /nfs/dbraw/zinc/45/85/09/988458509.db2.gz AUJASIOPKAKDMA-LBPRGKRZSA-N 1 3 307.398 -0.131 20 0 DBADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@H]1CCCN1C ZINC001373640265 988518436 /nfs/dbraw/zinc/51/84/36/988518436.db2.gz VQRREZYZKXBKKB-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)C[NH2+]C[C@@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001373890285 988666891 /nfs/dbraw/zinc/66/68/91/988666891.db2.gz VCJPDUMOTMIEPA-BLLLJJGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)C[NH2+]C[C@@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001373890291 988667173 /nfs/dbraw/zinc/66/71/73/988667173.db2.gz VCJPDUMOTMIEPA-MLGOLLRUSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001374065628 988763234 /nfs/dbraw/zinc/76/32/34/988763234.db2.gz CITJEBIKUPUMKE-WDEREUQCSA-N 1 3 315.418 -0.876 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374314012 988855824 /nfs/dbraw/zinc/85/58/24/988855824.db2.gz QGGDRROFVBMWHY-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374314012 988855826 /nfs/dbraw/zinc/85/58/26/988855826.db2.gz QGGDRROFVBMWHY-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C(=O)CN1CCCC1 ZINC001374328651 988858140 /nfs/dbraw/zinc/85/81/40/988858140.db2.gz WAUUOFJBMMPSOA-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1CCNC1=O ZINC001491477473 1015443019 /nfs/dbraw/zinc/44/30/19/1015443019.db2.gz JYFSGIVCTBBJRA-GFCCVEGCSA-N 1 3 311.430 -0.410 20 0 DBADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001374661129 989105545 /nfs/dbraw/zinc/10/55/45/989105545.db2.gz ZSCDWXVRQTWLFC-NEPJUHHUSA-N 1 3 316.446 -0.692 20 0 DBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCN1C(=O)CCC1=O ZINC001491483042 1015448145 /nfs/dbraw/zinc/44/81/45/1015448145.db2.gz ZJJQYEOZYXZJTN-LBPRGKRZSA-N 1 3 324.425 -0.286 20 0 DBADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)NC(N)=O ZINC001491486814 1015448921 /nfs/dbraw/zinc/44/89/21/1015448921.db2.gz PRYMWJWNSMGVQY-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)NC(N)=O ZINC001491486814 1015448929 /nfs/dbraw/zinc/44/89/29/1015448929.db2.gz PRYMWJWNSMGVQY-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374982313 989343947 /nfs/dbraw/zinc/34/39/47/989343947.db2.gz XZFNPKADCOABBT-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCNC2=O)CC1 ZINC001375425572 989598585 /nfs/dbraw/zinc/59/85/85/989598585.db2.gz PTBNQZMQJNBHIX-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCNC2=O)CC1 ZINC001375425572 989598598 /nfs/dbraw/zinc/59/85/98/989598598.db2.gz PTBNQZMQJNBHIX-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001375636340 989709474 /nfs/dbraw/zinc/70/94/74/989709474.db2.gz VHEHMNZNMFEDFU-HUUCEWRRSA-N 1 3 313.442 -0.394 20 0 DBADHO Cn1cc(CN2CC[C@](O)(CNC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001376090645 989877621 /nfs/dbraw/zinc/87/76/21/989877621.db2.gz FWEOBIGLDCGCPG-INIZCTEOSA-N 1 3 321.425 -0.431 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001376312153 990011921 /nfs/dbraw/zinc/01/19/21/990011921.db2.gz AVKKLSYTLTVULI-KBPBESRZSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376343230 990026528 /nfs/dbraw/zinc/02/65/28/990026528.db2.gz JWRNHLKIHPSORS-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001376343045 990027455 /nfs/dbraw/zinc/02/74/55/990027455.db2.gz IGIOFNLKFHHXAD-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001376343045 990027465 /nfs/dbraw/zinc/02/74/65/990027465.db2.gz IGIOFNLKFHHXAD-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001376355653 990032320 /nfs/dbraw/zinc/03/23/20/990032320.db2.gz AHSVCKLFFQZCIR-KGLIPLIRSA-N 1 3 310.442 -0.112 20 0 DBADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C[NH2+]CC(N)=O ZINC001376355655 990033087 /nfs/dbraw/zinc/03/30/87/990033087.db2.gz AHSVCKLFFQZCIR-UONOGXRCSA-N 1 3 310.442 -0.112 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1cn(C)nn1 ZINC001376368483 990037311 /nfs/dbraw/zinc/03/73/11/990037311.db2.gz RFNATLXWPZPFOL-STQMWFEESA-N 1 3 308.430 -0.049 20 0 DBADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001376414498 990055295 /nfs/dbraw/zinc/05/52/95/990055295.db2.gz CLCXQNYGIICAEO-MELADBBJSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H](NC(=O)CN1CCC(CO)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001548427819 1015566286 /nfs/dbraw/zinc/56/62/86/1015566286.db2.gz STDKZGQAPMDVHV-UKRRQHHQSA-N 1 3 312.458 -0.559 20 0 DBADHO C[C@@H](NC(=O)CN1CCC(CO)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001548427819 1015566297 /nfs/dbraw/zinc/56/62/97/1015566297.db2.gz STDKZGQAPMDVHV-UKRRQHHQSA-N 1 3 312.458 -0.559 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001377761848 990723053 /nfs/dbraw/zinc/72/30/53/990723053.db2.gz QCAAWEZWVGBZCE-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001377761848 990723058 /nfs/dbraw/zinc/72/30/58/990723058.db2.gz QCAAWEZWVGBZCE-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001377878278 990770457 /nfs/dbraw/zinc/77/04/57/990770457.db2.gz UCOUBHUGMPDREC-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001377878278 990770464 /nfs/dbraw/zinc/77/04/64/990770464.db2.gz UCOUBHUGMPDREC-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO COC[C@H](O)CN1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378167465 990873910 /nfs/dbraw/zinc/87/39/10/990873910.db2.gz SBDBCQVZMUACTJ-ZIAGYGMSSA-N 1 3 313.442 -0.132 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)c1 ZINC001548568234 1015596118 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CN(CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)CC(N)=O ZINC001378927909 991242280 /nfs/dbraw/zinc/24/22/80/991242280.db2.gz XQHQVBYKFFKJBJ-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379008948 991274055 /nfs/dbraw/zinc/27/40/55/991274055.db2.gz DYHMVPYJLZORHC-BNOWGMLFSA-N 1 3 310.442 -0.101 20 0 DBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379008948 991274082 /nfs/dbraw/zinc/27/40/82/991274082.db2.gz DYHMVPYJLZORHC-BNOWGMLFSA-N 1 3 310.442 -0.101 20 0 DBADHO CN(CC[N@H+](C)C[C@@H](O)Cn1cccn1)C(=O)[C@H]1CCCN1C ZINC001379033143 991291978 /nfs/dbraw/zinc/29/19/78/991291978.db2.gz OIHWBNJVYJUBHV-HUUCEWRRSA-N 1 3 323.441 -0.272 20 0 DBADHO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)[C@H]1CCCN1C ZINC001379033143 991291992 /nfs/dbraw/zinc/29/19/92/991291992.db2.gz OIHWBNJVYJUBHV-HUUCEWRRSA-N 1 3 323.441 -0.272 20 0 DBADHO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC001548655738 1015627221 /nfs/dbraw/zinc/62/72/21/1015627221.db2.gz UDIWDAWQGJXHRY-BZUAXINKSA-N 1 3 322.453 -0.445 20 0 DBADHO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC001548655738 1015627228 /nfs/dbraw/zinc/62/72/28/1015627228.db2.gz UDIWDAWQGJXHRY-BZUAXINKSA-N 1 3 322.453 -0.445 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001379135720 991350354 /nfs/dbraw/zinc/35/03/54/991350354.db2.gz WPNBQFYTFCFLDQ-GXTWGEPZSA-N 1 3 310.442 -0.147 20 0 DBADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001379231591 991456852 /nfs/dbraw/zinc/45/68/52/991456852.db2.gz MZOVIVCTFRMNHF-DRZSPHRISA-N 1 3 324.429 -0.590 20 0 DBADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001379231591 991456860 /nfs/dbraw/zinc/45/68/60/991456860.db2.gz MZOVIVCTFRMNHF-DRZSPHRISA-N 1 3 324.429 -0.590 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCC(N)=O)CCCCC1 ZINC001379240124 991466236 /nfs/dbraw/zinc/46/62/36/991466236.db2.gz YIKSFVYNVPWRNZ-LBPRGKRZSA-N 1 3 314.430 -0.950 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)s1 ZINC001379280606 991511011 /nfs/dbraw/zinc/51/10/11/991511011.db2.gz DPDPNERFDNZPEL-NEPJUHHUSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)s1 ZINC001379280606 991511023 /nfs/dbraw/zinc/51/10/23/991511023.db2.gz DPDPNERFDNZPEL-NEPJUHHUSA-N 1 3 312.439 -0.030 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2cncc(F)c2)C1 ZINC001379284492 991516144 /nfs/dbraw/zinc/51/61/44/991516144.db2.gz IDFRFVHZNBACFX-GXTWGEPZSA-N 1 3 310.373 -0.261 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](O)CNCc2cncc(F)c2)C1 ZINC001379284492 991516158 /nfs/dbraw/zinc/51/61/58/991516158.db2.gz IDFRFVHZNBACFX-GXTWGEPZSA-N 1 3 310.373 -0.261 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001379397554 991627539 /nfs/dbraw/zinc/62/75/39/991627539.db2.gz SMACWNYPVAVZFJ-QWRGUYRKSA-N 1 3 315.418 -0.606 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H](CO)[NH2+]CCO)C1 ZINC001379483078 991713831 /nfs/dbraw/zinc/71/38/31/991713831.db2.gz YOKYVHUJYQFMPD-FZMZJTMJSA-N 1 3 305.394 -0.742 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001379483080 991714948 /nfs/dbraw/zinc/71/49/48/991714948.db2.gz YOKYVHUJYQFMPD-RISCZKNCSA-N 1 3 305.394 -0.742 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001379525709 991766577 /nfs/dbraw/zinc/76/65/77/991766577.db2.gz LZNQDGROECBRHJ-ZIAGYGMSSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cncn2C)C1 ZINC001379834674 991948019 /nfs/dbraw/zinc/94/80/19/991948019.db2.gz MPADJIOBBVKWKQ-DZGCQCFKSA-N 1 3 323.441 -0.329 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)C2)nn1 ZINC001549047261 1015698632 /nfs/dbraw/zinc/69/86/32/1015698632.db2.gz MIGUIHKKDGVWCH-VNHYZAJKSA-N 1 3 304.398 -0.100 20 0 DBADHO CN(CC(=O)NCC1([NH2+]CC(N)=O)CCOCC1)C1CCC1 ZINC001380502800 992336623 /nfs/dbraw/zinc/33/66/23/992336623.db2.gz UBSGCHVWGVNIGG-UHFFFAOYSA-N 1 3 312.414 -0.789 20 0 DBADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@@H](C)O)CCOCC1)N(C)C ZINC001380504699 992337593 /nfs/dbraw/zinc/33/75/93/992337593.db2.gz QAUAQAZFYDOBSJ-OLZOCXBDSA-N 1 3 301.431 -0.038 20 0 DBADHO CCC[C@H](N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001549049295 1015700491 /nfs/dbraw/zinc/70/04/91/1015700491.db2.gz JUSMQDDQEKLOGS-MJBXVCDLSA-N 1 3 323.441 -0.140 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)N1CCC1 ZINC001380683244 992476077 /nfs/dbraw/zinc/47/60/77/992476077.db2.gz AUCMZFZPQNQUPX-OLZOCXBDSA-N 1 3 319.409 -0.131 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001380779026 992537650 /nfs/dbraw/zinc/53/76/50/992537650.db2.gz GPIZJWNPPIIMOD-NEPJUHHUSA-N 1 3 307.398 -0.085 20 0 DBADHO Cn1nccc1[C@@H]1[C@@H](NC[C@@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1C ZINC001549283997 1015715318 /nfs/dbraw/zinc/71/53/18/1015715318.db2.gz ADRWURBTCJNWSD-HUBLWGQQSA-N 1 3 319.409 -0.198 20 0 DBADHO C[C@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1)C(N)=O ZINC001380911502 992586628 /nfs/dbraw/zinc/58/66/28/992586628.db2.gz GNPYPJWWMBXNBM-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CCNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)CC[NH+](C)C ZINC001381418882 992795798 /nfs/dbraw/zinc/79/57/98/992795798.db2.gz KOKQVSUREZLSHX-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001381424150 992798744 /nfs/dbraw/zinc/79/87/44/992798744.db2.gz VGUTVWXAJMLASJ-ZJUUUORDSA-N 1 3 313.402 -0.994 20 0 DBADHO CN(CC(C)(C)C[NH2+][C@@H]1CCNC1=O)C(=O)Cc1c[nH]cn1 ZINC001381481848 992811783 /nfs/dbraw/zinc/81/17/83/992811783.db2.gz NCWRCUHVQQWNBM-GFCCVEGCSA-N 1 3 307.398 -0.085 20 0 DBADHO COC[C@@H](O)CN1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001381800260 992884491 /nfs/dbraw/zinc/88/44/91/992884491.db2.gz CHMNRUSWYYNTBH-JSGCOSHPSA-N 1 3 313.442 -0.228 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001381941481 992932237 /nfs/dbraw/zinc/93/22/37/992932237.db2.gz HVNDFHCWDJOPAX-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H](CNCC(N)=O)C1CC1 ZINC001382016446 992958531 /nfs/dbraw/zinc/95/85/31/992958531.db2.gz FNLGZLRSICXTJC-ZIAGYGMSSA-N 1 3 308.426 -0.360 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001382147143 993006545 /nfs/dbraw/zinc/00/65/45/993006545.db2.gz CFZPKGMXIYEZMA-OLZOCXBDSA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001382147143 993006552 /nfs/dbraw/zinc/00/65/52/993006552.db2.gz CFZPKGMXIYEZMA-OLZOCXBDSA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001382157554 993012107 /nfs/dbraw/zinc/01/21/07/993012107.db2.gz SYMJBECPEJBCDF-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001382157554 993012109 /nfs/dbraw/zinc/01/21/09/993012109.db2.gz SYMJBECPEJBCDF-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728454 1015763230 /nfs/dbraw/zinc/76/32/30/1015763230.db2.gz QBDDNZXQBPKVDQ-WWGRRREGSA-N 1 3 324.425 -0.872 20 0 DBADHO CN1CC[C@@H](N[C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1=O ZINC001382366049 993174787 /nfs/dbraw/zinc/17/47/87/993174787.db2.gz DTFTXOHYFSEEMC-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(C[C@@H]1CNCCO1)NCc1ccncc1O[C@@H]1CC[NH2+]C1 ZINC001549729575 1015764578 /nfs/dbraw/zinc/76/45/78/1015764578.db2.gz SCSACGKWYUBTCV-ZIAGYGMSSA-N 1 3 320.393 -0.183 20 0 DBADHO COC[C@]1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3cn(C)cn3)C2)CCCCN1 ZINC001549738732 1015765517 /nfs/dbraw/zinc/76/55/17/1015765517.db2.gz RRCFKMDTEXZXPU-ZENOOKHLSA-N 1 3 321.425 -0.168 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO)C1 ZINC001382460697 993289658 /nfs/dbraw/zinc/28/96/58/993289658.db2.gz BFTHIWBKRLYBEF-KBPBESRZSA-N 1 3 301.431 -0.538 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO)C1 ZINC001382460697 993289669 /nfs/dbraw/zinc/28/96/69/993289669.db2.gz BFTHIWBKRLYBEF-KBPBESRZSA-N 1 3 301.431 -0.538 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CCCO)C1 ZINC001382460699 993290569 /nfs/dbraw/zinc/29/05/69/993290569.db2.gz BFTHIWBKRLYBEF-UONOGXRCSA-N 1 3 301.431 -0.538 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)C1 ZINC001382460699 993290579 /nfs/dbraw/zinc/29/05/79/993290579.db2.gz BFTHIWBKRLYBEF-UONOGXRCSA-N 1 3 301.431 -0.538 20 0 DBADHO COCCN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[C@@H](C)O ZINC001382537157 993338209 /nfs/dbraw/zinc/33/82/09/993338209.db2.gz ODKUQNXUXHYUBN-UKRRQHHQSA-N 1 3 313.442 -0.226 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550096030 1015790184 /nfs/dbraw/zinc/79/01/84/1015790184.db2.gz UDMTUCDVQRIMBZ-MBNYWOFBSA-N 1 3 308.386 -0.723 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001550096126 1015791827 /nfs/dbraw/zinc/79/18/27/1015791827.db2.gz WFBAEFUMMMOPPG-HZSPNIEDSA-N 1 3 320.397 -0.627 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001550096126 1015791838 /nfs/dbraw/zinc/79/18/38/1015791838.db2.gz WFBAEFUMMMOPPG-HZSPNIEDSA-N 1 3 320.397 -0.627 20 0 DBADHO NCc1cn([C@H]2CCN(C(=O)CO[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097176 1015792298 /nfs/dbraw/zinc/79/22/98/1015792298.db2.gz ALBJHPHBAMDFIO-STQMWFEESA-N 1 3 308.386 -0.721 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001383395473 993641469 /nfs/dbraw/zinc/64/14/69/993641469.db2.gz DAHBFVXDMDXNCQ-QKDCVEJESA-N 1 3 322.453 -0.146 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC001550200302 1015799498 /nfs/dbraw/zinc/79/94/98/1015799498.db2.gz HCTTVPAFUBEPHZ-WDNDVIMCSA-N 1 3 320.437 -0.216 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC001550200329 1015799606 /nfs/dbraw/zinc/79/96/06/1015799606.db2.gz IBJSNDZAIMOCBP-CYBMUJFWSA-N 1 3 308.426 -0.072 20 0 DBADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC001551503443 1015828489 /nfs/dbraw/zinc/82/84/89/1015828489.db2.gz JJGHZSLDUUMUMV-AEGPPILISA-N 1 3 304.394 -0.023 20 0 DBADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@H]2CNCCO2)cnn1C ZINC001552090029 1015839924 /nfs/dbraw/zinc/83/99/24/1015839924.db2.gz KJHKEGGNAQQQAX-KWCYVHTRSA-N 1 3 307.398 -0.864 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H](C)NC[C@@H]2C)nn1 ZINC001552161092 1015843918 /nfs/dbraw/zinc/84/39/18/1015843918.db2.gz JNEULMPXMHKOCI-GFQSEFKGSA-N 1 3 322.413 -0.811 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC[C@@H]2CCCN2C)nn1 ZINC001552168576 1015845031 /nfs/dbraw/zinc/84/50/31/1015845031.db2.gz CPSHZVDMSSMNJV-OUCADQQQSA-N 1 3 322.413 -0.810 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@H]2COC3)CC1 ZINC001552202753 1015848312 /nfs/dbraw/zinc/84/83/12/1015848312.db2.gz OCGUMPPOKXZJOL-IJEWVQPXSA-N 1 3 310.442 -0.635 20 0 DBADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H](F)[C@H](N)C2)cnn1C ZINC001552216609 1015849932 /nfs/dbraw/zinc/84/99/32/1015849932.db2.gz UILONFWSARCFHH-XDQVBPFNSA-N 1 3 309.389 -0.071 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001401149829 994455746 /nfs/dbraw/zinc/45/57/46/994455746.db2.gz WMAWDFRFZWWXEL-ZYHUDNBSSA-N 1 3 307.398 -0.119 20 0 DBADHO C[C@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401238058 994491766 /nfs/dbraw/zinc/49/17/66/994491766.db2.gz XTKIDEJYIMUOQC-CHWSQXEVSA-N 1 3 308.426 -0.060 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001401248194 994495839 /nfs/dbraw/zinc/49/58/39/994495839.db2.gz SBXFVOITEFJIBP-GHMZBOCLSA-N 1 3 315.418 -0.781 20 0 DBADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001401251138 994498232 /nfs/dbraw/zinc/49/82/32/994498232.db2.gz IAVKMDIZLRPBAK-MNOVXSKESA-N 1 3 315.418 -0.781 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385654660 994583480 /nfs/dbraw/zinc/58/34/80/994583480.db2.gz IIZDXVLFZDQURH-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385654660 994583491 /nfs/dbraw/zinc/58/34/91/994583491.db2.gz IIZDXVLFZDQURH-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCn1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001401543217 994627742 /nfs/dbraw/zinc/62/77/42/994627742.db2.gz QJZYFGACFFUUGL-CABCVRRESA-N 1 3 323.441 -0.046 20 0 DBADHO CCn1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001401543217 994627748 /nfs/dbraw/zinc/62/77/48/994627748.db2.gz QJZYFGACFFUUGL-CABCVRRESA-N 1 3 323.441 -0.046 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001401660773 994736770 /nfs/dbraw/zinc/73/67/70/994736770.db2.gz YNHIWWNBIYTZEY-OLZOCXBDSA-N 1 3 319.471 -0.143 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001493289387 1015886538 /nfs/dbraw/zinc/88/65/38/1015886538.db2.gz DSLUKGRPWONLIS-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001493289387 1015886544 /nfs/dbraw/zinc/88/65/44/1015886544.db2.gz DSLUKGRPWONLIS-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001401687865 994756247 /nfs/dbraw/zinc/75/62/47/994756247.db2.gz ZXNPLKJGYKSPPZ-JTQLQIEISA-N 1 3 313.402 -0.979 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553411047 1015890085 /nfs/dbraw/zinc/89/00/85/1015890085.db2.gz QRDIBYOVCVTONO-KBXIAJHMSA-N 1 3 310.442 -0.352 20 0 DBADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3CCCN3C)C[C@@H]2[NH3+])c1 ZINC001553433998 1015891232 /nfs/dbraw/zinc/89/12/32/1015891232.db2.gz GRJYRNDWDDGMJF-UPJWGTAASA-N 1 3 306.414 -0.050 20 0 DBADHO O=C(N[C@@H](CN[C@H]1CCNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001401865794 994833211 /nfs/dbraw/zinc/83/32/11/994833211.db2.gz LWGHCKKQBSPHCG-STQMWFEESA-N 1 3 306.410 -0.545 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001401864138 994833926 /nfs/dbraw/zinc/83/39/26/994833926.db2.gz LFQXWLMDQJFSLS-TZMCWYRMSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001401864138 994833933 /nfs/dbraw/zinc/83/39/33/994833933.db2.gz LFQXWLMDQJFSLS-TZMCWYRMSA-N 1 3 308.426 -0.299 20 0 DBADHO O=C(N[C@@H](CN[C@@H]1CCNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001401865786 994833987 /nfs/dbraw/zinc/83/39/87/994833987.db2.gz LWGHCKKQBSPHCG-OLZOCXBDSA-N 1 3 306.410 -0.545 20 0 DBADHO COC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001402005481 994881894 /nfs/dbraw/zinc/88/18/94/994881894.db2.gz WLEHDUBDRPTDDF-GDBMZVCRSA-N 1 3 322.409 -0.116 20 0 DBADHO COC[C@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001402005481 994881895 /nfs/dbraw/zinc/88/18/95/994881895.db2.gz WLEHDUBDRPTDDF-GDBMZVCRSA-N 1 3 322.409 -0.116 20 0 DBADHO O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001553548607 1015899690 /nfs/dbraw/zinc/89/96/90/1015899690.db2.gz ZQMUWOSHJDQMQE-LOWDOPEQSA-N 1 3 300.378 -0.463 20 0 DBADHO O=C(CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)N1CCC1 ZINC001402084800 994910610 /nfs/dbraw/zinc/91/06/10/994910610.db2.gz WFUFLGQKJAWRHO-CQSZACIVSA-N 1 3 320.437 -0.105 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001402423896 995130161 /nfs/dbraw/zinc/13/01/61/995130161.db2.gz FUZFWPROWXBFGK-OLZOCXBDSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402569695 995192607 /nfs/dbraw/zinc/19/26/07/995192607.db2.gz AFNLRAZZNBFSOM-TUAOUCFPSA-N 1 3 302.394 -0.351 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001402607794 995213721 /nfs/dbraw/zinc/21/37/21/995213721.db2.gz FPZFHOYMFCRVKU-UONOGXRCSA-N 1 3 317.430 -0.849 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@](CO)([NH2+]C[C@H](C)O)C1 ZINC001402733245 995263947 /nfs/dbraw/zinc/26/39/47/995263947.db2.gz BVHUMLLSNHMCFR-DZGCQCFKSA-N 1 3 301.431 -0.350 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@](CO)([NH2+]C[C@H](C)O)C1 ZINC001402733254 995264740 /nfs/dbraw/zinc/26/47/40/995264740.db2.gz BVHUMLLSNHMCFR-ZFWWWQNUSA-N 1 3 301.431 -0.350 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001402892541 995326481 /nfs/dbraw/zinc/32/64/81/995326481.db2.gz XDXNPRRYMSDNJA-GXTWGEPZSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)C1(C(=O)NC2CC(C[NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001402918731 995340200 /nfs/dbraw/zinc/34/02/00/995340200.db2.gz FDMNQFJMMVVEAH-BPCQOVAHSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H](CNC(=O)CN(C)CC(C)(C)C)[NH2+]CC(=O)NC(N)=O ZINC001403015619 995378123 /nfs/dbraw/zinc/37/81/23/995378123.db2.gz WQCTVVSTAUIKEQ-JTQLQIEISA-N 1 3 315.418 -0.747 20 0 DBADHO C[C@@H](NCCS(C)(=O)=O)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001403022366 995381120 /nfs/dbraw/zinc/38/11/20/995381120.db2.gz HNYLRHQFJWBIMW-VXGBXAGGSA-N 1 3 317.455 -0.390 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(=O)NC ZINC001403046264 995389184 /nfs/dbraw/zinc/38/91/84/995389184.db2.gz VSXHWXLFAXZPFC-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(=O)NC ZINC001403046264 995389198 /nfs/dbraw/zinc/38/91/98/995389198.db2.gz VSXHWXLFAXZPFC-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001403074617 995397943 /nfs/dbraw/zinc/39/79/43/995397943.db2.gz YNUBLPATJPCWCT-NXEZZACHSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001403139125 995421981 /nfs/dbraw/zinc/42/19/81/995421981.db2.gz NOCKJDJAFLPXAO-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001403139125 995421988 /nfs/dbraw/zinc/42/19/88/995421988.db2.gz NOCKJDJAFLPXAO-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001403153949 995429231 /nfs/dbraw/zinc/42/92/31/995429231.db2.gz ARLXYAHJZDVFCI-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001403254571 995469261 /nfs/dbraw/zinc/46/92/61/995469261.db2.gz HMIFUZPHYQTMCB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001403405140 995511224 /nfs/dbraw/zinc/51/12/24/995511224.db2.gz HAHATYFNZYMMOP-XQLPTFJDSA-N 1 3 322.453 -0.099 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001403405140 995511230 /nfs/dbraw/zinc/51/12/30/995511230.db2.gz HAHATYFNZYMMOP-XQLPTFJDSA-N 1 3 322.453 -0.099 20 0 DBADHO C[C@@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001403746583 995687277 /nfs/dbraw/zinc/68/72/77/995687277.db2.gz NEXAWVGTZCXYKL-NEPJUHHUSA-N 1 3 305.444 -0.438 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001388682200 995732709 /nfs/dbraw/zinc/73/27/09/995732709.db2.gz PINVVQMAYAOTKS-HZSPNIEDSA-N 1 3 313.442 -0.038 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccnn1C)N(C)C ZINC001403854465 995735014 /nfs/dbraw/zinc/73/50/14/995735014.db2.gz BUUIZLHBLCMAHI-KBPBESRZSA-N 1 3 311.430 -0.331 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001388750303 995745327 /nfs/dbraw/zinc/74/53/27/995745327.db2.gz YIBQFOHPJQWVDT-XYPYZODXSA-N 1 3 313.402 -0.994 20 0 DBADHO CN1CC[C@H](N2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001404079988 995814913 /nfs/dbraw/zinc/81/49/13/995814913.db2.gz ZQCJHROQIBJNNK-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001404351357 995862151 /nfs/dbraw/zinc/86/21/51/995862151.db2.gz MKZBBZHKWLONHM-VXGBXAGGSA-N 1 3 307.398 -0.133 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001404351357 995862152 /nfs/dbraw/zinc/86/21/52/995862152.db2.gz MKZBBZHKWLONHM-VXGBXAGGSA-N 1 3 307.398 -0.133 20 0 DBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001389386241 995961227 /nfs/dbraw/zinc/96/12/27/995961227.db2.gz GXLZQXDWRPIHSO-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CNC(=O)CN[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001389598797 996038753 /nfs/dbraw/zinc/03/87/53/996038753.db2.gz ADPZDQVXKAGJSK-UONOGXRCSA-N 1 3 308.426 -0.441 20 0 DBADHO CN(C)C1(C(=O)NCC2CN(C(=O)CC[NH+](C)C)C2)CCC1 ZINC001389772573 996094333 /nfs/dbraw/zinc/09/43/33/996094333.db2.gz IHOIPFVJWBGKRE-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001389805205 996105858 /nfs/dbraw/zinc/10/58/58/996105858.db2.gz WTBZIMACYAGIOW-GXTWGEPZSA-N 1 3 318.381 -0.600 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)N(C)C ZINC001389998034 996160050 /nfs/dbraw/zinc/16/00/50/996160050.db2.gz JTEGLNNKZCSWLO-BARDWOONSA-N 1 3 323.441 -0.179 20 0 DBADHO COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001390756247 996360617 /nfs/dbraw/zinc/36/06/17/996360617.db2.gz JMVUCXFYLKYQJB-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)CN(C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001390756247 996360622 /nfs/dbraw/zinc/36/06/22/996360622.db2.gz JMVUCXFYLKYQJB-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001390811735 996379071 /nfs/dbraw/zinc/37/90/71/996379071.db2.gz GJQVNOCIAMOAIT-IHRRRGAJSA-N 1 3 301.431 -0.228 20 0 DBADHO COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001390811735 996379075 /nfs/dbraw/zinc/37/90/75/996379075.db2.gz GJQVNOCIAMOAIT-IHRRRGAJSA-N 1 3 301.431 -0.228 20 0 DBADHO COC[C@H](O)CN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001391162269 996473333 /nfs/dbraw/zinc/47/33/33/996473333.db2.gz VHYXWDZVLMBCSB-BPLDGKMQSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@H](O)CN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001391162269 996473339 /nfs/dbraw/zinc/47/33/39/996473339.db2.gz VHYXWDZVLMBCSB-BPLDGKMQSA-N 1 3 313.442 -0.086 20 0 DBADHO CNC(=O)[C@@H](C)N(C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001391349925 996522012 /nfs/dbraw/zinc/52/20/12/996522012.db2.gz CGNJWAJFYJUKNO-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001391361457 996525913 /nfs/dbraw/zinc/52/59/13/996525913.db2.gz SISWBKBQJPGLTF-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001391361457 996525915 /nfs/dbraw/zinc/52/59/15/996525915.db2.gz SISWBKBQJPGLTF-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1c[nH]cn1 ZINC001493709402 1016043286 /nfs/dbraw/zinc/04/32/86/1016043286.db2.gz QKKYEPNKHMZGGS-NSHDSACASA-N 1 3 314.411 -0.565 20 0 DBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NC(N)=O ZINC001391695023 996612174 /nfs/dbraw/zinc/61/21/74/996612174.db2.gz RBWGEPZEWQKKMO-OUAUKWLOSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NC(N)=O ZINC001391695023 996612182 /nfs/dbraw/zinc/61/21/82/996612182.db2.gz RBWGEPZEWQKKMO-OUAUKWLOSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001392122421 996735545 /nfs/dbraw/zinc/73/55/45/996735545.db2.gz TZBGIOFVENQMHU-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001392122421 996735547 /nfs/dbraw/zinc/73/55/47/996735547.db2.gz TZBGIOFVENQMHU-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001392376337 996846352 /nfs/dbraw/zinc/84/63/52/996846352.db2.gz OJGXALRYSTZNFS-CABCVRRESA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001392376337 996846358 /nfs/dbraw/zinc/84/63/58/996846358.db2.gz OJGXALRYSTZNFS-CABCVRRESA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001392376337 996846363 /nfs/dbraw/zinc/84/63/63/996846363.db2.gz OJGXALRYSTZNFS-CABCVRRESA-N 1 3 323.441 -0.140 20 0 DBADHO C[C@@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001392391517 996865274 /nfs/dbraw/zinc/86/52/74/996865274.db2.gz INIWSWYETTYAQO-VXGBXAGGSA-N 1 3 316.446 -0.692 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCc2ccccn2)CC1 ZINC001392396335 996870561 /nfs/dbraw/zinc/87/05/61/996870561.db2.gz SLFOLJOCHKXNLA-CQSZACIVSA-N 1 3 306.410 -0.010 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001392428563 996911443 /nfs/dbraw/zinc/91/14/43/996911443.db2.gz PACWHLFLMJWMSI-ZIAGYGMSSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392576850 997049325 /nfs/dbraw/zinc/04/93/25/997049325.db2.gz ZKWORGPMIXAUDI-QWHCGFSZSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001392589178 997059264 /nfs/dbraw/zinc/05/92/64/997059264.db2.gz ACEBCVFNESDVCY-LBPRGKRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001405278783 997153515 /nfs/dbraw/zinc/15/35/15/997153515.db2.gz ZNTJABSEUQVHGX-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO CN(C)C(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392796665 997217155 /nfs/dbraw/zinc/21/71/55/997217155.db2.gz FBGLYCPFZMANGH-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392796665 997217164 /nfs/dbraw/zinc/21/71/64/997217164.db2.gz FBGLYCPFZMANGH-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001392796597 997219137 /nfs/dbraw/zinc/21/91/37/997219137.db2.gz XOKBRFFOMMZHLR-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO COC[C@H](O)CN1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001393110027 997422542 /nfs/dbraw/zinc/42/25/42/997422542.db2.gz XPARAWHXVLASRC-HIFRSBDPSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001393251777 997497186 /nfs/dbraw/zinc/49/71/86/997497186.db2.gz XUBBGJPWVXAYTC-ZBFHGGJFSA-N 1 3 313.442 -0.348 20 0 DBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CCN(CCO)C1 ZINC001393251777 997497193 /nfs/dbraw/zinc/49/71/93/997497193.db2.gz XUBBGJPWVXAYTC-ZBFHGGJFSA-N 1 3 313.442 -0.348 20 0 DBADHO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001406106746 997524181 /nfs/dbraw/zinc/52/41/81/997524181.db2.gz UMTAXUXTHMXPTJ-ZDUSSCGKSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001406106746 997524182 /nfs/dbraw/zinc/52/41/82/997524182.db2.gz UMTAXUXTHMXPTJ-ZDUSSCGKSA-N 1 3 301.431 -0.132 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H](C)OC)C1 ZINC001393292803 997549012 /nfs/dbraw/zinc/54/90/12/997549012.db2.gz QEWSLLDDVXBIEZ-HIFRSBDPSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H](C)OC)C1 ZINC001393292803 997549015 /nfs/dbraw/zinc/54/90/15/997549015.db2.gz QEWSLLDDVXBIEZ-HIFRSBDPSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393331182 997591984 /nfs/dbraw/zinc/59/19/84/997591984.db2.gz UPJVNSWXIAXAFM-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393331182 997591996 /nfs/dbraw/zinc/59/19/96/997591996.db2.gz UPJVNSWXIAXAFM-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO Cn1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCCN2C)n1 ZINC001406249655 997622409 /nfs/dbraw/zinc/62/24/09/997622409.db2.gz VIIMBCOEKHIFGP-KGLIPLIRSA-N 1 3 309.414 -0.529 20 0 DBADHO Cn1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001406249655 997622419 /nfs/dbraw/zinc/62/24/19/997622419.db2.gz VIIMBCOEKHIFGP-KGLIPLIRSA-N 1 3 309.414 -0.529 20 0 DBADHO Cn1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001406249655 997622430 /nfs/dbraw/zinc/62/24/30/997622430.db2.gz VIIMBCOEKHIFGP-KGLIPLIRSA-N 1 3 309.414 -0.529 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001406261459 997638655 /nfs/dbraw/zinc/63/86/55/997638655.db2.gz AARMSHOSVJWMNV-OLZOCXBDSA-N 1 3 314.430 -0.938 20 0 DBADHO Cc1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)sn1 ZINC001406292072 997675617 /nfs/dbraw/zinc/67/56/17/997675617.db2.gz OKYZTAVCZJVQDV-VXGBXAGGSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)sn1 ZINC001406292072 997675627 /nfs/dbraw/zinc/67/56/27/997675627.db2.gz OKYZTAVCZJVQDV-VXGBXAGGSA-N 1 3 312.439 -0.030 20 0 DBADHO CC(C)N(C)CC(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001393487865 997692112 /nfs/dbraw/zinc/69/21/12/997692112.db2.gz YXMWLACXKISDTF-CYBMUJFWSA-N 1 3 314.430 -0.984 20 0 DBADHO CCN(CCN[C@H]1CCCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001406334960 997699393 /nfs/dbraw/zinc/69/93/93/997699393.db2.gz CRNXZZVZHSLXAI-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CCNC(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001393566442 997732176 /nfs/dbraw/zinc/73/21/76/997732176.db2.gz MPTWDTTVCZYIBL-UHFFFAOYSA-N 1 3 308.426 -0.153 20 0 DBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001393580803 997747593 /nfs/dbraw/zinc/74/75/93/997747593.db2.gz DKSPDRWBUBQLOV-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001393580803 997747602 /nfs/dbraw/zinc/74/76/02/997747602.db2.gz DKSPDRWBUBQLOV-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+]C[C@@H](C)O)CC1)N(C)C ZINC001393781373 997845653 /nfs/dbraw/zinc/84/56/53/997845653.db2.gz LMAUOWNSJDKVDZ-KGLIPLIRSA-N 1 3 315.458 -0.104 20 0 DBADHO COC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001394078556 997965031 /nfs/dbraw/zinc/96/50/31/997965031.db2.gz UDIBYAAVJJTILL-QWHCGFSZSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)C[N@@H+](C)[C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001394078556 997965036 /nfs/dbraw/zinc/96/50/36/997965036.db2.gz UDIBYAAVJJTILL-QWHCGFSZSA-N 1 3 301.431 -0.086 20 0 DBADHO C[N@H+](CCOCCO)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001494161503 1016174481 /nfs/dbraw/zinc/17/44/81/1016174481.db2.gz PGTKUSBJZVRJNK-CYBMUJFWSA-N 1 3 310.398 -0.259 20 0 DBADHO C[N@@H+](CCOCCO)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001494161503 1016174482 /nfs/dbraw/zinc/17/44/82/1016174482.db2.gz PGTKUSBJZVRJNK-CYBMUJFWSA-N 1 3 310.398 -0.259 20 0 DBADHO COC[C@H](O)CN1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001394256050 998062621 /nfs/dbraw/zinc/06/26/21/998062621.db2.gz BDBOFBLXOIYULA-GXTWGEPZSA-N 1 3 311.426 -0.474 20 0 DBADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001394350625 998114159 /nfs/dbraw/zinc/11/41/59/998114159.db2.gz ZFKKLPSFYYJFKH-FQUUOJAGSA-N 1 3 310.442 -0.116 20 0 DBADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001394350625 998114171 /nfs/dbraw/zinc/11/41/71/998114171.db2.gz ZFKKLPSFYYJFKH-FQUUOJAGSA-N 1 3 310.442 -0.116 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001394376554 998120990 /nfs/dbraw/zinc/12/09/90/998120990.db2.gz UFPHSSMUYRUYBZ-AJNGGQMLSA-N 1 3 313.442 -0.180 20 0 DBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCC1 ZINC001394535821 998184918 /nfs/dbraw/zinc/18/49/18/998184918.db2.gz HCFFPVSDHLVORJ-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCC1 ZINC001394535839 998186073 /nfs/dbraw/zinc/18/60/73/998186073.db2.gz HCFFPVSDHLVORJ-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407556753 998263088 /nfs/dbraw/zinc/26/30/88/998263088.db2.gz PYSBWEMSZAICBE-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001394667675 998371900 /nfs/dbraw/zinc/37/19/00/998371900.db2.gz HSLGVKDGBLNEDS-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001394665209 998373136 /nfs/dbraw/zinc/37/31/36/998373136.db2.gz CLROYHNERHEDGL-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)NC(N)=O)C[C@H]1C ZINC001394665209 998373145 /nfs/dbraw/zinc/37/31/45/998373145.db2.gz CLROYHNERHEDGL-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001407846887 998396864 /nfs/dbraw/zinc/39/68/64/998396864.db2.gz HGOOKOLYQREJMY-OAHLLOKOSA-N 1 3 323.441 -0.003 20 0 DBADHO Cc1nc([C@@H](C)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001407847632 998399608 /nfs/dbraw/zinc/39/96/08/998399608.db2.gz IIJAFUKSPBVNJD-DGCLKSJQSA-N 1 3 324.429 -0.057 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001407863115 998406807 /nfs/dbraw/zinc/40/68/07/998406807.db2.gz JYKOAXWCMWQCCS-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001407865575 998408733 /nfs/dbraw/zinc/40/87/33/998408733.db2.gz LOICTVUOEUKHDZ-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001407876622 998411537 /nfs/dbraw/zinc/41/15/37/998411537.db2.gz NGSPTRJBRBNXFW-RWMBFGLXSA-N 1 3 312.414 -0.981 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2CCO[C@@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001407876622 998411541 /nfs/dbraw/zinc/41/15/41/998411541.db2.gz NGSPTRJBRBNXFW-RWMBFGLXSA-N 1 3 312.414 -0.981 20 0 DBADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001407882220 998413802 /nfs/dbraw/zinc/41/38/02/998413802.db2.gz YQJVCAJVQWPIBX-IHRRRGAJSA-N 1 3 317.430 -0.849 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H](CC)N(C)C)CCO1 ZINC001407884661 998416473 /nfs/dbraw/zinc/41/64/73/998416473.db2.gz YLNMIFNYDXPOLJ-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](O)CNCC(N)=O)CC1 ZINC001394751995 998448114 /nfs/dbraw/zinc/44/81/14/998448114.db2.gz AKFYKLNLSSZYTH-ZDUSSCGKSA-N 1 3 314.430 -0.999 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001408002458 998452161 /nfs/dbraw/zinc/45/21/61/998452161.db2.gz GYPRVYRLVYUGQP-NYTXWWLZSA-N 1 3 322.453 -0.147 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001408002458 998452166 /nfs/dbraw/zinc/45/21/66/998452166.db2.gz GYPRVYRLVYUGQP-NYTXWWLZSA-N 1 3 322.453 -0.147 20 0 DBADHO CN1CCC[C@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001408019300 998458708 /nfs/dbraw/zinc/45/87/08/998458708.db2.gz AUTAOBOQWDHRSV-KNCOVGOOSA-N 1 3 322.453 -0.005 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001408071034 998478937 /nfs/dbraw/zinc/47/89/37/998478937.db2.gz DRRHZJUTVZAAQV-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001396912584 998922148 /nfs/dbraw/zinc/92/21/48/998922148.db2.gz HZAPEBDXALFTFQ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001396912584 998922152 /nfs/dbraw/zinc/92/21/52/998922152.db2.gz HZAPEBDXALFTFQ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001397085092 998960872 /nfs/dbraw/zinc/96/08/72/998960872.db2.gz UTIAEYRCYFNRJV-IGQOVBAYSA-N 1 3 308.426 -0.299 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21)N(C)C ZINC001397340400 999017378 /nfs/dbraw/zinc/01/73/78/999017378.db2.gz NVNYPVZGFUPMSQ-VQJWOFKYSA-N 1 3 322.453 -0.149 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21)N(C)C ZINC001397340400 999017381 /nfs/dbraw/zinc/01/73/81/999017381.db2.gz NVNYPVZGFUPMSQ-VQJWOFKYSA-N 1 3 322.453 -0.149 20 0 DBADHO COCCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001397790489 999132781 /nfs/dbraw/zinc/13/27/81/999132781.db2.gz ZTIRFUZKEQGULL-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO COCCN(CCO)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001397790489 999132782 /nfs/dbraw/zinc/13/27/82/999132782.db2.gz ZTIRFUZKEQGULL-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO CN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001398399772 999265164 /nfs/dbraw/zinc/26/51/64/999265164.db2.gz GBRVDXHEICYJLE-CABCVRRESA-N 1 3 322.453 -0.099 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](NCCS(C)(=O)=O)C2CC2)C1 ZINC001398454703 999274397 /nfs/dbraw/zinc/27/43/97/999274397.db2.gz JGCWYHMZRNDJCL-STQMWFEESA-N 1 3 317.455 -0.533 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](NCCS(C)(=O)=O)C2CC2)C1 ZINC001398454703 999274400 /nfs/dbraw/zinc/27/44/00/999274400.db2.gz JGCWYHMZRNDJCL-STQMWFEESA-N 1 3 317.455 -0.533 20 0 DBADHO CCCNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001398457684 999276291 /nfs/dbraw/zinc/27/62/91/999276291.db2.gz OBBDFSQOJNAUKF-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCNC(=O)CN[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001398457684 999276295 /nfs/dbraw/zinc/27/62/95/999276295.db2.gz OBBDFSQOJNAUKF-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001398656178 999328166 /nfs/dbraw/zinc/32/81/66/999328166.db2.gz BFBUCJSSDLRDQU-RWMBFGLXSA-N 1 3 317.455 -0.390 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001398656178 999328173 /nfs/dbraw/zinc/32/81/73/999328173.db2.gz BFBUCJSSDLRDQU-RWMBFGLXSA-N 1 3 317.455 -0.390 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001398728657 999347088 /nfs/dbraw/zinc/34/70/88/999347088.db2.gz CJGNFGJFSLEESO-NEPJUHHUSA-N 1 3 307.398 -0.085 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001398928014 999378663 /nfs/dbraw/zinc/37/86/63/999378663.db2.gz TVYMJOFULDPLFH-MNOVXSKESA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001398928014 999378668 /nfs/dbraw/zinc/37/86/68/999378668.db2.gz TVYMJOFULDPLFH-MNOVXSKESA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001398928009 999378739 /nfs/dbraw/zinc/37/87/39/999378739.db2.gz TVYMJOFULDPLFH-GHMZBOCLSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001398928009 999378743 /nfs/dbraw/zinc/37/87/43/999378743.db2.gz TVYMJOFULDPLFH-GHMZBOCLSA-N 1 3 313.402 -0.852 20 0 DBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](O)Cn1cccn1 ZINC001399648840 999457638 /nfs/dbraw/zinc/45/76/38/999457638.db2.gz VXSLARTXGIYBTI-ZIAGYGMSSA-N 1 3 309.414 -0.756 20 0 DBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](O)Cn1cccn1 ZINC001399648840 999457639 /nfs/dbraw/zinc/45/76/39/999457639.db2.gz VXSLARTXGIYBTI-ZIAGYGMSSA-N 1 3 309.414 -0.756 20 0 DBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001420733594 1000223803 /nfs/dbraw/zinc/22/38/03/1000223803.db2.gz DWPVQMXCBWMATJ-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)CC[N@@H+]1C ZINC001408583257 1000235493 /nfs/dbraw/zinc/23/54/93/1000235493.db2.gz YNNZYSBSXKFMJC-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)CC[N@H+]1C ZINC001408583257 1000235505 /nfs/dbraw/zinc/23/55/05/1000235505.db2.gz YNNZYSBSXKFMJC-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001420930721 1000299267 /nfs/dbraw/zinc/29/92/67/1000299267.db2.gz OQZGNFQHJVXKHN-STQMWFEESA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001420941996 1000304274 /nfs/dbraw/zinc/30/42/74/1000304274.db2.gz PRJWAXLWBOVILI-JHJVBQTASA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001420941996 1000304280 /nfs/dbraw/zinc/30/42/80/1000304280.db2.gz PRJWAXLWBOVILI-JHJVBQTASA-N 1 3 308.426 -0.156 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001420967705 1000317392 /nfs/dbraw/zinc/31/73/92/1000317392.db2.gz DRRHZJUTVZAAQV-QLFBSQMISA-N 1 3 313.442 -0.084 20 0 DBADHO O=C(CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)NC1CC1 ZINC001421142478 1000384170 /nfs/dbraw/zinc/38/41/70/1000384170.db2.gz QYQQBYZJTZFPPM-AWEZNQCLSA-N 1 3 320.437 -0.059 20 0 DBADHO CCCN(C)CC(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001409165417 1000388247 /nfs/dbraw/zinc/38/82/47/1000388247.db2.gz WYALAOCRHDTYAX-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CCCN(C)CC(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001409165417 1000388251 /nfs/dbraw/zinc/38/82/51/1000388251.db2.gz WYALAOCRHDTYAX-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO C[NH+]1CCC(OCC(=O)NCC2(NCC(N)=O)CCC2)CC1 ZINC001421782217 1000620008 /nfs/dbraw/zinc/62/00/08/1000620008.db2.gz KRUHOAPGJWEIEA-UHFFFAOYSA-N 1 3 312.414 -0.789 20 0 DBADHO C[C@@H]([NH2+]C[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1)C(N)=O ZINC001421793716 1000625868 /nfs/dbraw/zinc/62/58/68/1000625868.db2.gz WTYQOPOJGYYGCW-YPMHNXCESA-N 1 3 312.414 -0.839 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001421800767 1000631504 /nfs/dbraw/zinc/63/15/04/1000631504.db2.gz JCJSWIDQHKZAGH-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO CC(C)(C(=O)N1CCO[C@H](CNCC(N)=O)C1)[NH+]1CCCC1 ZINC001421805495 1000633733 /nfs/dbraw/zinc/63/37/33/1000633733.db2.gz KHLMOTPIVZUATR-GFCCVEGCSA-N 1 3 312.414 -0.837 20 0 DBADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421995162 1000693279 /nfs/dbraw/zinc/69/32/79/1000693279.db2.gz UQZPQWRYAKNRQK-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421995162 1000693286 /nfs/dbraw/zinc/69/32/86/1000693286.db2.gz UQZPQWRYAKNRQK-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCC(=O)NC1CC1 ZINC001422048556 1000708292 /nfs/dbraw/zinc/70/82/92/1000708292.db2.gz MVNXRCWMWJTAED-JSGCOSHPSA-N 1 3 320.437 -0.203 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001422105304 1000725970 /nfs/dbraw/zinc/72/59/70/1000725970.db2.gz CPHZBJXPDLUXIT-UHFFFAOYSA-N 1 3 314.430 -0.853 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001422105304 1000725971 /nfs/dbraw/zinc/72/59/71/1000725971.db2.gz CPHZBJXPDLUXIT-UHFFFAOYSA-N 1 3 314.430 -0.853 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410443446 1000770293 /nfs/dbraw/zinc/77/02/93/1000770293.db2.gz UMGUDPKIPMDEIJ-MNOVXSKESA-N 1 3 315.418 -0.781 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001422422489 1000867361 /nfs/dbraw/zinc/86/73/61/1000867361.db2.gz PRLKQLMXWWOIQX-HNNXBMFYSA-N 1 3 323.441 -0.137 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001422490052 1000883515 /nfs/dbraw/zinc/88/35/15/1000883515.db2.gz XLFIIWFTIUATEG-GRYCIOLGSA-N 1 3 324.429 -0.567 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001422490052 1000883517 /nfs/dbraw/zinc/88/35/17/1000883517.db2.gz XLFIIWFTIUATEG-GRYCIOLGSA-N 1 3 324.429 -0.567 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)CC[NH+](C)C)C2)C1 ZINC001410916914 1000959936 /nfs/dbraw/zinc/95/99/36/1000959936.db2.gz RNOJBCKLIZEIPB-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001422848361 1001032898 /nfs/dbraw/zinc/03/28/98/1001032898.db2.gz FTEPUEVBUJACIX-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001411173270 1001058914 /nfs/dbraw/zinc/05/89/14/1001058914.db2.gz DITRJJDBYOXOMA-ZIAGYGMSSA-N 1 3 315.458 -0.007 20 0 DBADHO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001411173270 1001058917 /nfs/dbraw/zinc/05/89/17/1001058917.db2.gz DITRJJDBYOXOMA-ZIAGYGMSSA-N 1 3 315.458 -0.007 20 0 DBADHO C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001411173253 1001059570 /nfs/dbraw/zinc/05/95/70/1001059570.db2.gz DITRJJDBYOXOMA-KGLIPLIRSA-N 1 3 315.458 -0.007 20 0 DBADHO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001411173253 1001059577 /nfs/dbraw/zinc/05/95/77/1001059577.db2.gz DITRJJDBYOXOMA-KGLIPLIRSA-N 1 3 315.458 -0.007 20 0 DBADHO COCCN(CCNC(=O)C1CC[NH+](C)CC1)C[C@H](C)O ZINC001411225760 1001078827 /nfs/dbraw/zinc/07/88/27/1001078827.db2.gz PSMQKPCKTHHGGE-ZDUSSCGKSA-N 1 3 301.431 -0.226 20 0 DBADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001411250009 1001085762 /nfs/dbraw/zinc/08/57/62/1001085762.db2.gz QHYWFIQXVCDFSH-HOAMVYINSA-N 1 3 301.431 -0.087 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001411253342 1001086772 /nfs/dbraw/zinc/08/67/72/1001086772.db2.gz NDYHGPQZICISEW-UHFFFAOYSA-N 1 3 313.402 -0.900 20 0 DBADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001423029676 1001092634 /nfs/dbraw/zinc/09/26/34/1001092634.db2.gz RHLMYPIVTBDLHC-AAEUAGOBSA-N 1 3 310.442 -0.053 20 0 DBADHO CNC(=O)CN[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001423397175 1001279160 /nfs/dbraw/zinc/27/91/60/1001279160.db2.gz PDKLMHCFLRMHES-KBPBESRZSA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001423460485 1001319989 /nfs/dbraw/zinc/31/99/89/1001319989.db2.gz JHYKHHGMCQQHIM-UONOGXRCSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423509674 1001352918 /nfs/dbraw/zinc/35/29/18/1001352918.db2.gz YLFJGQYAIRGAGI-JSGCOSHPSA-N 1 3 301.431 -0.397 20 0 DBADHO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423509674 1001352925 /nfs/dbraw/zinc/35/29/25/1001352925.db2.gz YLFJGQYAIRGAGI-JSGCOSHPSA-N 1 3 301.431 -0.397 20 0 DBADHO CC[C@@H](C(=O)NCC1([NH2+]CC(N)=O)CCOCC1)N(C)C ZINC001423731781 1001411096 /nfs/dbraw/zinc/41/10/96/1001411096.db2.gz WRUBEYOQIGXYDM-NSHDSACASA-N 1 3 300.403 -0.933 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1 ZINC001423785774 1001433128 /nfs/dbraw/zinc/43/31/28/1001433128.db2.gz BFDMCDMIEXKWEF-INIZCTEOSA-N 1 3 323.441 -0.222 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001423785774 1001433129 /nfs/dbraw/zinc/43/31/29/1001433129.db2.gz BFDMCDMIEXKWEF-INIZCTEOSA-N 1 3 323.441 -0.222 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCC1CC1 ZINC001424479063 1001649315 /nfs/dbraw/zinc/64/93/15/1001649315.db2.gz IRBIRKRIQXSLON-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@@H](C)C(N)=O)CC1)N(C)C ZINC001424523818 1001655483 /nfs/dbraw/zinc/65/54/83/1001655483.db2.gz RMDVNHAIDIQMGF-NWDGAFQWSA-N 1 3 314.430 -0.857 20 0 DBADHO CN(C)C1(C(=O)N[C@@H](CO)CNC(=O)CC[NH+](C)C)CCC1 ZINC001412974520 1001672540 /nfs/dbraw/zinc/67/25/40/1001672540.db2.gz SOZFHFNDLQBLAL-GFCCVEGCSA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001424793931 1001800799 /nfs/dbraw/zinc/80/07/99/1001800799.db2.gz JJNQSCYUJZBNOZ-NXEZZACHSA-N 1 3 313.402 -0.852 20 0 DBADHO CN(CCO)CCN(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC001413523798 1001870190 /nfs/dbraw/zinc/87/01/90/1001870190.db2.gz HXQGHJMYVIBOEG-UHFFFAOYSA-N 1 3 312.418 -0.168 20 0 DBADHO COc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1-c1nnn[n-]1 ZINC001591534660 1016550468 /nfs/dbraw/zinc/55/04/68/1016550468.db2.gz RTWNLGXELSRTNA-UHFFFAOYSA-N 1 3 317.397 -0.130 20 0 DBADHO COc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1-c1nn[n-]n1 ZINC001591534660 1016550478 /nfs/dbraw/zinc/55/04/78/1016550478.db2.gz RTWNLGXELSRTNA-UHFFFAOYSA-N 1 3 317.397 -0.130 20 0 DBADHO C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001425367839 1002021867 /nfs/dbraw/zinc/02/18/67/1002021867.db2.gz RAAMMLXRHQOQMF-VXGBXAGGSA-N 1 3 312.414 -0.981 20 0 DBADHO COC[C@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001425368196 1002023056 /nfs/dbraw/zinc/02/30/56/1002023056.db2.gz OQCXIZVJEQTIJB-TUVASFSCSA-N 1 3 313.442 -0.372 20 0 DBADHO COC[C@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001425368196 1002023072 /nfs/dbraw/zinc/02/30/72/1002023072.db2.gz OQCXIZVJEQTIJB-TUVASFSCSA-N 1 3 313.442 -0.372 20 0 DBADHO CN(C)C(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001425982078 1002594856 /nfs/dbraw/zinc/59/48/56/1002594856.db2.gz YLXNEFCTMZSGBZ-OLZOCXBDSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C(=O)CN[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001425982078 1002594866 /nfs/dbraw/zinc/59/48/66/1002594866.db2.gz YLXNEFCTMZSGBZ-OLZOCXBDSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001425982083 1002596611 /nfs/dbraw/zinc/59/66/11/1002596611.db2.gz YLXNEFCTMZSGBZ-STQMWFEESA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001425982083 1002596621 /nfs/dbraw/zinc/59/66/21/1002596621.db2.gz YLXNEFCTMZSGBZ-STQMWFEESA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)C1CC[NH+](C)CC1 ZINC001426031677 1002631666 /nfs/dbraw/zinc/63/16/66/1002631666.db2.gz SRCFNIKVIATIJP-OAHLLOKOSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001426032441 1002631920 /nfs/dbraw/zinc/63/19/20/1002631920.db2.gz JUALIGJTPAWQOL-AWEZNQCLSA-N 1 3 322.409 -0.744 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC001415082586 1002657495 /nfs/dbraw/zinc/65/74/95/1002657495.db2.gz FWOBUJMDOIMZLS-KNCOVGOOSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCCN3C)C[C@H]21 ZINC001415082586 1002657497 /nfs/dbraw/zinc/65/74/97/1002657497.db2.gz FWOBUJMDOIMZLS-KNCOVGOOSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001415084747 1002657982 /nfs/dbraw/zinc/65/79/82/1002657982.db2.gz XUDRUTAHYDNTQP-HALDLXJZSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001415084747 1002657990 /nfs/dbraw/zinc/65/79/90/1002657990.db2.gz XUDRUTAHYDNTQP-HALDLXJZSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001495582085 1016654290 /nfs/dbraw/zinc/65/42/90/1016654290.db2.gz PKTWBTBMMQEOIH-CYBMUJFWSA-N 1 3 303.370 -0.176 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001426209265 1002718918 /nfs/dbraw/zinc/71/89/18/1002718918.db2.gz QZYWOOUASCXAOJ-HTAVTVPLSA-N 1 3 302.394 -0.269 20 0 DBADHO CC(C)[C@H](C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1)N(C)C ZINC001436462213 1002720165 /nfs/dbraw/zinc/72/01/65/1002720165.db2.gz GBWSBNXOQKRCDQ-LSDHHAIUSA-N 1 3 315.458 -0.150 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(=O)N(C)C)C2)C1 ZINC001426216523 1002721742 /nfs/dbraw/zinc/72/17/42/1002721742.db2.gz GXVLYICUBWLARM-IYXRBSQSSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001436954855 1002832251 /nfs/dbraw/zinc/83/22/51/1002832251.db2.gz PUZQINOJTJKFKN-BETUJISGSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)NCc1ccn(C)n1 ZINC001437258246 1002895634 /nfs/dbraw/zinc/89/56/34/1002895634.db2.gz GBWOVEBKGIMXSQ-ZIAGYGMSSA-N 1 3 323.441 -0.017 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001437283158 1002899730 /nfs/dbraw/zinc/89/97/30/1002899730.db2.gz ULDYSNVAGAKHIF-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(=O)NC(N)=O ZINC001495685981 1016691003 /nfs/dbraw/zinc/69/10/03/1016691003.db2.gz ZCLQZNHZWRLXNS-JTQLQIEISA-N 1 3 313.402 -0.993 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001416030678 1003105895 /nfs/dbraw/zinc/10/58/95/1003105895.db2.gz JSPSXADGMUBJPL-UHFFFAOYSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001437994405 1003317134 /nfs/dbraw/zinc/31/71/34/1003317134.db2.gz SQIIEOMLPSKMFE-OLZOCXBDSA-N 1 3 310.442 -0.018 20 0 DBADHO CCN(C(=O)CC[NH+](C)C)[C@H]1CCN(C[C@H](O)COC)C1 ZINC001438269370 1003401336 /nfs/dbraw/zinc/40/13/36/1003401336.db2.gz UKGPKYNWZTVEGZ-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001438999550 1003826019 /nfs/dbraw/zinc/82/60/19/1003826019.db2.gz KZENKLLQNGBZEQ-ZIAGYGMSSA-N 1 3 301.431 -0.180 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439023803 1003838752 /nfs/dbraw/zinc/83/87/52/1003838752.db2.gz XKQZXUJREGOUQS-AWEZNQCLSA-N 1 3 323.441 -0.139 20 0 DBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001439226183 1003887744 /nfs/dbraw/zinc/88/77/44/1003887744.db2.gz QLFZPVJHEGJPBS-LPEHRKFASA-N 1 3 301.391 -0.996 20 0 DBADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439241295 1003889480 /nfs/dbraw/zinc/88/94/80/1003889480.db2.gz PNRLWPDGYZQBTG-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](C[NH2+]Cc1ccn(C)n1)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001439282755 1003895030 /nfs/dbraw/zinc/89/50/30/1003895030.db2.gz MTXOGXHTIGLHLF-KBPBESRZSA-N 1 3 323.441 -0.017 20 0 DBADHO C[C@@H](NC[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1)C(N)=O ZINC001439464970 1004007330 /nfs/dbraw/zinc/00/73/30/1004007330.db2.gz DABWWOOVVGDKRG-DGCLKSJQSA-N 1 3 308.426 -0.027 20 0 DBADHO CN1CC[C@H](NC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)C1=O ZINC001439487968 1004015277 /nfs/dbraw/zinc/01/52/77/1004015277.db2.gz VUGNXTKWKMCTTF-UONOGXRCSA-N 1 3 320.437 -0.203 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001417791406 1004038866 /nfs/dbraw/zinc/03/88/66/1004038866.db2.gz LRAOAIKTNDHOHK-CRWXNKLISA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](CCO)C[C@H](C)O)C1 ZINC001417829892 1004057851 /nfs/dbraw/zinc/05/78/51/1004057851.db2.gz KBYGPIQXOFPDEB-GJZGRUSLSA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](CCO)C[C@H](C)O)C1 ZINC001417829892 1004057864 /nfs/dbraw/zinc/05/78/64/1004057864.db2.gz KBYGPIQXOFPDEB-GJZGRUSLSA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)(C(=O)NCC1(N[C@H]2CCNC2=O)CC1)[NH+]1CCCC1 ZINC001439633490 1004075882 /nfs/dbraw/zinc/07/58/82/1004075882.db2.gz GTCGHPOCKAGQRG-LBPRGKRZSA-N 1 3 308.426 -0.012 20 0 DBADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001417985119 1004152953 /nfs/dbraw/zinc/15/29/53/1004152953.db2.gz QTOFKRXCIPDYFX-WDEREUQCSA-N 1 3 313.402 -0.994 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CN(C)C(C)C)C1 ZINC001418078401 1004197377 /nfs/dbraw/zinc/19/73/77/1004197377.db2.gz UUZIXFHTJKGBLY-XYPYZODXSA-N 1 3 313.402 -0.981 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001418136441 1004228016 /nfs/dbraw/zinc/22/80/16/1004228016.db2.gz FDQYVAMOMGZTJR-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001418302946 1004322784 /nfs/dbraw/zinc/32/27/84/1004322784.db2.gz KIOYZDWVKUMQQS-VXGBXAGGSA-N 1 3 314.430 -0.674 20 0 DBADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001418334290 1004347708 /nfs/dbraw/zinc/34/77/08/1004347708.db2.gz ZKHIGAPWNTULFI-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001418334290 1004347718 /nfs/dbraw/zinc/34/77/18/1004347718.db2.gz ZKHIGAPWNTULFI-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001418338426 1004348991 /nfs/dbraw/zinc/34/89/91/1004348991.db2.gz ZEZKCWQBEJCEKQ-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001418338427 1004349636 /nfs/dbraw/zinc/34/96/36/1004349636.db2.gz ZEZKCWQBEJCEKQ-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001418358372 1004359165 /nfs/dbraw/zinc/35/91/65/1004359165.db2.gz UUTSTUKFEINSGR-VXGBXAGGSA-N 1 3 307.398 -0.133 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418663714 1004543403 /nfs/dbraw/zinc/54/34/03/1004543403.db2.gz XXXNMRQNIZXUSW-KBPBESRZSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)C[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418663714 1004543417 /nfs/dbraw/zinc/54/34/17/1004543417.db2.gz XXXNMRQNIZXUSW-KBPBESRZSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001418685152 1004566594 /nfs/dbraw/zinc/56/65/94/1004566594.db2.gz JCINPZULOVDEIO-XDQVBPFNSA-N 1 3 310.442 -0.055 20 0 DBADHO COC[C@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001418780851 1004638357 /nfs/dbraw/zinc/63/83/57/1004638357.db2.gz NBUZWYJBVQIDKQ-VNHYZAJKSA-N 1 3 322.409 -0.260 20 0 DBADHO COC[C@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001418780851 1004638364 /nfs/dbraw/zinc/63/83/64/1004638364.db2.gz NBUZWYJBVQIDKQ-VNHYZAJKSA-N 1 3 322.409 -0.260 20 0 DBADHO C[C@@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001418807831 1004656093 /nfs/dbraw/zinc/65/60/93/1004656093.db2.gz BUKAUAKBWAPKAN-OCCSQVGLSA-N 1 3 310.442 -0.147 20 0 DBADHO CNC(=O)CN1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001418915453 1004714114 /nfs/dbraw/zinc/71/41/14/1004714114.db2.gz UBEGDUHJUOBUCH-ZDUSSCGKSA-N 1 3 308.426 -0.344 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001418942664 1004725434 /nfs/dbraw/zinc/72/54/34/1004725434.db2.gz KTUXWYWWVJBARB-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001418942664 1004725449 /nfs/dbraw/zinc/72/54/49/1004725449.db2.gz KTUXWYWWVJBARB-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001419028039 1004773838 /nfs/dbraw/zinc/77/38/38/1004773838.db2.gz MRYQNMAGFGBJFN-QEJZJMRPSA-N 1 3 313.442 -0.228 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001419028039 1004773850 /nfs/dbraw/zinc/77/38/50/1004773850.db2.gz MRYQNMAGFGBJFN-QEJZJMRPSA-N 1 3 313.442 -0.228 20 0 DBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC(=O)NC ZINC001419273638 1004848093 /nfs/dbraw/zinc/84/80/93/1004848093.db2.gz PLAAEEINDRKVDR-NSHDSACASA-N 1 3 315.418 -0.733 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](N[C@H]2CCNC2=O)C1 ZINC001419386655 1004866181 /nfs/dbraw/zinc/86/61/81/1004866181.db2.gz PWZLHDGGMQZUEO-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CCNC(=O)CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001419427210 1004873511 /nfs/dbraw/zinc/87/35/11/1004873511.db2.gz WRZFVVDRBZTYDR-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419624354 1004920356 /nfs/dbraw/zinc/92/03/56/1004920356.db2.gz JCTVUACWIIUGMJ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419624354 1004920358 /nfs/dbraw/zinc/92/03/58/1004920358.db2.gz JCTVUACWIIUGMJ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@H](C)C(=O)NC(N)=O ZINC001419827749 1004991686 /nfs/dbraw/zinc/99/16/86/1004991686.db2.gz FPYRRNUTROJKEN-NXEZZACHSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001419879688 1005006512 /nfs/dbraw/zinc/00/65/12/1005006512.db2.gz DTNBETHWEINDDC-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)NCC(=O)N1CCOCC1 ZINC001419879688 1005006518 /nfs/dbraw/zinc/00/65/18/1005006518.db2.gz DTNBETHWEINDDC-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO O=C(C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)N1CCC1 ZINC001420021553 1005051837 /nfs/dbraw/zinc/05/18/37/1005051837.db2.gz VOTWCPDMYFMPPQ-CQSZACIVSA-N 1 3 308.426 -0.247 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420200174 1005150060 /nfs/dbraw/zinc/15/00/60/1005150060.db2.gz VUSVBAHXNLYNPU-GXTWGEPZSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420200174 1005150062 /nfs/dbraw/zinc/15/00/62/1005150062.db2.gz VUSVBAHXNLYNPU-GXTWGEPZSA-N 1 3 309.414 -0.671 20 0 DBADHO CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)CN(C)C(C)C ZINC001420252419 1005173025 /nfs/dbraw/zinc/17/30/25/1005173025.db2.gz NMNYGMMOHJMOIK-LLVKDONJSA-N 1 3 315.418 -0.652 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001420286205 1005187381 /nfs/dbraw/zinc/18/73/81/1005187381.db2.gz UFZVUIUEBSGLLJ-RDBSUJKOSA-N 1 3 301.431 -0.039 20 0 DBADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001420340198 1005222599 /nfs/dbraw/zinc/22/25/99/1005222599.db2.gz ONKTUXNKQBSOGN-OUAUKWLOSA-N 1 3 315.418 -0.750 20 0 DBADHO C[C@@H](CN(C)CCn1cncn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001420666558 1005336875 /nfs/dbraw/zinc/33/68/75/1005336875.db2.gz PMVAYWONNHLTTA-ZDUSSCGKSA-N 1 3 306.414 -0.190 20 0 DBADHO C[C@H](CN(C)CCn1cncn1)NC(=O)C12CC[NH+](CC1)C2 ZINC001420666552 1005336898 /nfs/dbraw/zinc/33/68/98/1005336898.db2.gz PMVAYWONNHLTTA-CYBMUJFWSA-N 1 3 306.414 -0.190 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001440363608 1006077583 /nfs/dbraw/zinc/07/75/83/1006077583.db2.gz JCINPZULOVDEIO-XUXIUFHCSA-N 1 3 310.442 -0.055 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001440403076 1006102298 /nfs/dbraw/zinc/10/22/98/1006102298.db2.gz QTWCHCZFJQUYOU-CHWSQXEVSA-N 1 3 314.430 -0.722 20 0 DBADHO C[C@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001440440049 1006125314 /nfs/dbraw/zinc/12/53/14/1006125314.db2.gz IQNVOZKQGVDFIM-WDEREUQCSA-N 1 3 323.397 -0.780 20 0 DBADHO C[C@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)n1 ZINC001440440049 1006125321 /nfs/dbraw/zinc/12/53/21/1006125321.db2.gz IQNVOZKQGVDFIM-WDEREUQCSA-N 1 3 323.397 -0.780 20 0 DBADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001440480513 1006155076 /nfs/dbraw/zinc/15/50/76/1006155076.db2.gz LENYQAQQYDGHRX-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001440480513 1006155085 /nfs/dbraw/zinc/15/50/85/1006155085.db2.gz LENYQAQQYDGHRX-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001440606484 1006224971 /nfs/dbraw/zinc/22/49/71/1006224971.db2.gz MCNDTMOGBRXVAW-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)NC)CC1 ZINC001440636838 1006244691 /nfs/dbraw/zinc/24/46/91/1006244691.db2.gz NTALMHPDORNDLZ-UHFFFAOYSA-N 1 3 314.430 -0.983 20 0 DBADHO CNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001440819149 1006319449 /nfs/dbraw/zinc/31/94/49/1006319449.db2.gz MTNCFRMMMFVBBW-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441013182 1006417911 /nfs/dbraw/zinc/41/79/11/1006417911.db2.gz PHFWOVMMDKGSIL-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441013182 1006417963 /nfs/dbraw/zinc/41/79/63/1006417963.db2.gz PHFWOVMMDKGSIL-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001429496191 1006445302 /nfs/dbraw/zinc/44/53/02/1006445302.db2.gz OPHKOYWKPFLNJR-AWEZNQCLSA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CN(CCCO)C1 ZINC001441217890 1006522839 /nfs/dbraw/zinc/52/28/39/1006522839.db2.gz UGPOQWXUDCMQAZ-CYBMUJFWSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001441327489 1006587473 /nfs/dbraw/zinc/58/74/73/1006587473.db2.gz HCGTZAZHYRHHQW-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001441327489 1006587493 /nfs/dbraw/zinc/58/74/93/1006587493.db2.gz HCGTZAZHYRHHQW-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001441440967 1006651270 /nfs/dbraw/zinc/65/12/70/1006651270.db2.gz OAOUBEWMNDUWQE-DCAQKATOSA-N 1 3 313.402 -0.853 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001430195293 1006752650 /nfs/dbraw/zinc/75/26/50/1006752650.db2.gz IWSNIKSQWIHLKR-HNNXBMFYSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001430392387 1006841547 /nfs/dbraw/zinc/84/15/47/1006841547.db2.gz LIMCUYFLVXXZGY-VIKVFOODSA-N 1 3 308.426 -0.393 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001430399577 1006842407 /nfs/dbraw/zinc/84/24/07/1006842407.db2.gz MUQUHQDPKGKPBB-DZGCQCFKSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430399577 1006842408 /nfs/dbraw/zinc/84/24/08/1006842408.db2.gz MUQUHQDPKGKPBB-DZGCQCFKSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001430433873 1006852167 /nfs/dbraw/zinc/85/21/67/1006852167.db2.gz GFRNUOOIKZOJSH-ZDUSSCGKSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001430433869 1006852441 /nfs/dbraw/zinc/85/24/41/1006852441.db2.gz GFRNUOOIKZOJSH-CYBMUJFWSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001441828578 1006891535 /nfs/dbraw/zinc/89/15/35/1006891535.db2.gz BLJCSDNRSKOTJW-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001441832710 1006892761 /nfs/dbraw/zinc/89/27/61/1006892761.db2.gz HEFHKHIRYSBBAI-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCN1CCNC1=O ZINC001441844020 1006898470 /nfs/dbraw/zinc/89/84/70/1006898470.db2.gz QDVFXWIFQPLHCZ-GFCCVEGCSA-N 1 3 311.430 -0.410 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001441919319 1006955392 /nfs/dbraw/zinc/95/53/92/1006955392.db2.gz ASHLMNAWEQWQHC-QWHCGFSZSA-N 1 3 310.398 -0.214 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001442037059 1007116664 /nfs/dbraw/zinc/11/66/64/1007116664.db2.gz PQIHVEHJHRGDPJ-QWHCGFSZSA-N 1 3 316.446 -0.788 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001431537678 1007584732 /nfs/dbraw/zinc/58/47/32/1007584732.db2.gz MBNASEUGTHYRFT-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001431537678 1007584743 /nfs/dbraw/zinc/58/47/43/1007584743.db2.gz MBNASEUGTHYRFT-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO CNC(=O)CNC[C@H](O)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497075367 1017243986 /nfs/dbraw/zinc/24/39/86/1017243986.db2.gz HXKMWIPMSJXKRB-AWEZNQCLSA-N 1 3 322.409 -0.826 20 0 DBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001444045646 1007995574 /nfs/dbraw/zinc/99/55/74/1007995574.db2.gz TVOCOGYILSLPBP-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001444045646 1007995580 /nfs/dbraw/zinc/99/55/80/1007995580.db2.gz TVOCOGYILSLPBP-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001444117762 1008035516 /nfs/dbraw/zinc/03/55/16/1008035516.db2.gz VDZUIJRREXOLNP-PBHICJAKSA-N 1 3 322.453 -0.051 20 0 DBADHO CNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001444117766 1008036060 /nfs/dbraw/zinc/03/60/60/1008036060.db2.gz VDZUIJRREXOLNP-RHSMWYFYSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]2CCCOC2)CCC1 ZINC001445188802 1008297408 /nfs/dbraw/zinc/29/74/08/1008297408.db2.gz KZCBOCIXDIDBIW-KBPBESRZSA-N 1 3 313.442 -0.036 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001445242213 1008316556 /nfs/dbraw/zinc/31/65/56/1008316556.db2.gz VWXYYSDCYVNYMC-CQSZACIVSA-N 1 3 323.441 -0.363 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2cncn2C)C1 ZINC001445254354 1008321781 /nfs/dbraw/zinc/32/17/81/1008321781.db2.gz ZIDYLAUNHLFYFR-GXTWGEPZSA-N 1 3 309.414 -0.671 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001445378793 1008367846 /nfs/dbraw/zinc/36/78/46/1008367846.db2.gz IDVGKLBKSGQAOH-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001445378793 1008367853 /nfs/dbraw/zinc/36/78/53/1008367853.db2.gz IDVGKLBKSGQAOH-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001445378729 1008368636 /nfs/dbraw/zinc/36/86/36/1008368636.db2.gz IDVGKLBKSGQAOH-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001445378729 1008368637 /nfs/dbraw/zinc/36/86/37/1008368637.db2.gz IDVGKLBKSGQAOH-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)[C@@H]2C1 ZINC001445476165 1008379685 /nfs/dbraw/zinc/37/96/85/1008379685.db2.gz ZPKMSDVBEVPZPZ-GXTWGEPZSA-N 1 3 319.409 -0.037 20 0 DBADHO C[C@H](CN[C@H](C)C(=O)NC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445481084 1008380349 /nfs/dbraw/zinc/38/03/49/1008380349.db2.gz MOMZJXITQHYHLV-VXGBXAGGSA-N 1 3 308.426 -0.156 20 0 DBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001445946064 1008450555 /nfs/dbraw/zinc/45/05/55/1008450555.db2.gz CRKHEZXFKCPCSZ-ZIAGYGMSSA-N 1 3 308.426 -0.441 20 0 DBADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)NC ZINC001446005314 1008460415 /nfs/dbraw/zinc/46/04/15/1008460415.db2.gz GAXOFFYZZKGHRD-AAEUAGOBSA-N 1 3 307.398 -0.085 20 0 DBADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001446620777 1008616660 /nfs/dbraw/zinc/61/66/60/1008616660.db2.gz XLKCQPBAIVCCLZ-CZUORRHYSA-N 1 3 310.442 -0.098 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC(=O)N3CCC3)CCC2)C1 ZINC001447266022 1008983517 /nfs/dbraw/zinc/98/35/17/1008983517.db2.gz KJZHZFMBFIIDDC-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC(=O)N3CCC3)CCC2)C1 ZINC001447266022 1008983543 /nfs/dbraw/zinc/98/35/43/1008983543.db2.gz KJZHZFMBFIIDDC-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CCCNC(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001447293076 1009009346 /nfs/dbraw/zinc/00/93/46/1009009346.db2.gz WKFPUPXZNNIBGW-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001447317464 1009025305 /nfs/dbraw/zinc/02/53/05/1009025305.db2.gz ZDUYVFWNTFGFBR-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001447317457 1009026977 /nfs/dbraw/zinc/02/69/77/1009026977.db2.gz ZDUYVFWNTFGFBR-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)N(C)C ZINC001447549116 1009156172 /nfs/dbraw/zinc/15/61/72/1009156172.db2.gz UYZACMUUYQFJHB-QWHCGFSZSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCC(=O)N(C)C ZINC001447549105 1009156746 /nfs/dbraw/zinc/15/67/46/1009156746.db2.gz UYZACMUUYQFJHB-OLZOCXBDSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[NH+]1CCC(CNC2CN(S(=O)(=O)N(C)C)C2)CC1 ZINC001462484233 1009157567 /nfs/dbraw/zinc/15/75/67/1009157567.db2.gz ZMIUASIAFLYRIZ-UHFFFAOYSA-N 1 3 304.460 -0.202 20 0 DBADHO Cc1nc(CNCC2(O)CCN(C(=O)CC[NH+](C)C)CC2)n[nH]1 ZINC001447605431 1009192627 /nfs/dbraw/zinc/19/26/27/1009192627.db2.gz YLCRLPGNLTUJEA-UHFFFAOYSA-N 1 3 324.429 -0.492 20 0 DBADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCC(=O)N1CCC1 ZINC001447920979 1009396863 /nfs/dbraw/zinc/39/68/63/1009396863.db2.gz ATIFSQKYIGXWPL-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001448425686 1009766382 /nfs/dbraw/zinc/76/63/82/1009766382.db2.gz GDYHVKNIOHYFJB-YIYPIFLZSA-N 1 3 322.453 -0.114 20 0 DBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448610738 1009826420 /nfs/dbraw/zinc/82/64/20/1009826420.db2.gz WUDDJFKXDJPORX-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448610738 1009826421 /nfs/dbraw/zinc/82/64/21/1009826421.db2.gz WUDDJFKXDJPORX-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CN(C)C(=O)CCc1nnc[nH]1)[NH2+]CCS(C)(=O)=O ZINC001448628035 1009830165 /nfs/dbraw/zinc/83/01/65/1009830165.db2.gz ADSVZZCOJQYVHH-SNVBAGLBSA-N 1 3 317.415 -0.782 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cn[nH]c1 ZINC001448624308 1009830226 /nfs/dbraw/zinc/83/02/26/1009830226.db2.gz ATWJJYFTDSOPSM-IUCAKERBSA-N 1 3 310.358 -0.696 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)NC(=O)NC ZINC001448766072 1009870996 /nfs/dbraw/zinc/87/09/96/1009870996.db2.gz TZOQASQPVRUWGH-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCC(=O)NC(=O)NC ZINC001448766072 1009871003 /nfs/dbraw/zinc/87/10/03/1009871003.db2.gz TZOQASQPVRUWGH-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO CN(C)CC[NH+]1CCC(CNCc2cn(CC(N)=O)nn2)CC1 ZINC001473988263 1009961701 /nfs/dbraw/zinc/96/17/01/1009961701.db2.gz HXJPOQAAFXAZMD-UHFFFAOYSA-N 1 3 323.445 -0.873 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001448896910 1010034815 /nfs/dbraw/zinc/03/48/15/1010034815.db2.gz AOMDNNZYRLZQCQ-ZFWWWQNUSA-N 1 3 313.442 -0.179 20 0 DBADHO C[C@@H]1[C@H](NCC(=O)NC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001448974348 1010131751 /nfs/dbraw/zinc/13/17/51/1010131751.db2.gz DACUIAOSUPHIKT-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CCNC(=O)CN[C@H]1C[C@@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001448999289 1010156563 /nfs/dbraw/zinc/15/65/63/1010156563.db2.gz BLGYHPXDTOSWSI-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)C(C)(C)C1 ZINC001449086223 1010215525 /nfs/dbraw/zinc/21/55/25/1010215525.db2.gz AVDPMNDUZXQILA-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449166401 1010332231 /nfs/dbraw/zinc/33/22/31/1010332231.db2.gz WRHCGKTYOHQBJQ-HIFRSBDPSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449166401 1010332245 /nfs/dbraw/zinc/33/22/45/1010332245.db2.gz WRHCGKTYOHQBJQ-HIFRSBDPSA-N 1 3 323.441 -0.329 20 0 DBADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001449166566 1010333486 /nfs/dbraw/zinc/33/34/86/1010333486.db2.gz YDLZWAYEMBIUQN-UONOGXRCSA-N 1 3 311.430 -0.331 20 0 DBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449241155 1010396331 /nfs/dbraw/zinc/39/63/31/1010396331.db2.gz WLIWTBDSJHMSDZ-UONOGXRCSA-N 1 3 301.431 -0.274 20 0 DBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449241155 1010396340 /nfs/dbraw/zinc/39/63/40/1010396340.db2.gz WLIWTBDSJHMSDZ-UONOGXRCSA-N 1 3 301.431 -0.274 20 0 DBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449241156 1010397721 /nfs/dbraw/zinc/39/77/21/1010397721.db2.gz WLIWTBDSJHMSDZ-ZIAGYGMSSA-N 1 3 301.431 -0.274 20 0 DBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449241156 1010397738 /nfs/dbraw/zinc/39/77/38/1010397738.db2.gz WLIWTBDSJHMSDZ-ZIAGYGMSSA-N 1 3 301.431 -0.274 20 0 DBADHO COCCN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449241154 1010398635 /nfs/dbraw/zinc/39/86/35/1010398635.db2.gz WLIWTBDSJHMSDZ-KGLIPLIRSA-N 1 3 301.431 -0.274 20 0 DBADHO COCCN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449241154 1010398656 /nfs/dbraw/zinc/39/86/56/1010398656.db2.gz WLIWTBDSJHMSDZ-KGLIPLIRSA-N 1 3 301.431 -0.274 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001480046004 1010513994 /nfs/dbraw/zinc/51/39/94/1010513994.db2.gz CSYKIJPPHFNPHL-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001480117667 1010539433 /nfs/dbraw/zinc/53/94/33/1010539433.db2.gz RQBHQGCTJKXDDD-VWYCJHECSA-N 1 3 313.402 -0.900 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001480623192 1010721320 /nfs/dbraw/zinc/72/13/20/1010721320.db2.gz XOKWABZERSPFGC-QWHCGFSZSA-N 1 3 324.425 -0.286 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001450438837 1010728277 /nfs/dbraw/zinc/72/82/77/1010728277.db2.gz BLSPLSWVBFZIBO-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)CCC[NH+](C)C ZINC001481273276 1010878781 /nfs/dbraw/zinc/87/87/81/1010878781.db2.gz QNTMGPUNFUXZFO-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](O)Cn1cccn1 ZINC001482649242 1011249651 /nfs/dbraw/zinc/24/96/51/1011249651.db2.gz JAYOIGTVZSPWOZ-LSDHHAIUSA-N 1 3 323.441 -0.414 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](O)Cn1cccn1 ZINC001482649242 1011249673 /nfs/dbraw/zinc/24/96/73/1011249673.db2.gz JAYOIGTVZSPWOZ-LSDHHAIUSA-N 1 3 323.441 -0.414 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001452637201 1011330078 /nfs/dbraw/zinc/33/00/78/1011330078.db2.gz FCZRJHRLROJHCS-PWSUYJOCSA-N 1 3 307.398 -0.167 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001452637201 1011330095 /nfs/dbraw/zinc/33/00/95/1011330095.db2.gz FCZRJHRLROJHCS-PWSUYJOCSA-N 1 3 307.398 -0.167 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001482728474 1011338116 /nfs/dbraw/zinc/33/81/16/1011338116.db2.gz GRHFZFNEUCNBOV-CHWSQXEVSA-N 1 3 314.430 -0.986 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C23CCC[NH+]2CCC3)cn1 ZINC001482746659 1011374997 /nfs/dbraw/zinc/37/49/97/1011374997.db2.gz GXFVRFMITLOARK-CQSZACIVSA-N 1 3 321.425 -0.385 20 0 DBADHO Cc1nc([C@H](C)NC[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001482763935 1011408206 /nfs/dbraw/zinc/40/82/06/1011408206.db2.gz GESYTFAYCXMIDB-GXFFZTMASA-N 1 3 324.429 -0.417 20 0 DBADHO CN(C[C@H]1CCN1C(=O)CC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001452885470 1011448655 /nfs/dbraw/zinc/44/86/55/1011448655.db2.gz PBHIHWLKWKBQJW-CYBMUJFWSA-N 1 3 307.398 -0.037 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001482786151 1011460045 /nfs/dbraw/zinc/46/00/45/1011460045.db2.gz RCALBWDYNIABRY-ZFWWWQNUSA-N 1 3 321.425 -0.306 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001482786151 1011460058 /nfs/dbraw/zinc/46/00/58/1011460058.db2.gz RCALBWDYNIABRY-ZFWWWQNUSA-N 1 3 321.425 -0.306 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482792448 1011471128 /nfs/dbraw/zinc/47/11/28/1011471128.db2.gz ZCVVYLOPXNIIRM-GXTWGEPZSA-N 1 3 309.414 -0.753 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482792448 1011471146 /nfs/dbraw/zinc/47/11/46/1011471146.db2.gz ZCVVYLOPXNIIRM-GXTWGEPZSA-N 1 3 309.414 -0.753 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001453195447 1011553913 /nfs/dbraw/zinc/55/39/13/1011553913.db2.gz PGIPIQNZFKIMOP-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001453195447 1011553925 /nfs/dbraw/zinc/55/39/25/1011553925.db2.gz PGIPIQNZFKIMOP-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001483057912 1011649834 /nfs/dbraw/zinc/64/98/34/1011649834.db2.gz SBPNHSDPCWYSSX-UGAQRHAQSA-N 1 3 324.425 -0.360 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](O)COC ZINC001483197238 1011785011 /nfs/dbraw/zinc/78/50/11/1011785011.db2.gz BOWHMFPYYWHKEH-RDBSUJKOSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001483198695 1011788961 /nfs/dbraw/zinc/78/89/61/1011788961.db2.gz WTBCPAIJNKVAMZ-CHWSQXEVSA-N 1 3 324.425 -0.238 20 0 DBADHO C[C@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)NC(N)=O ZINC001483586403 1011942572 /nfs/dbraw/zinc/94/25/72/1011942572.db2.gz QICZKYVGORYZTC-GXSJLCMTSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001483911612 1012200534 /nfs/dbraw/zinc/20/05/34/1012200534.db2.gz KJQUXZBJNJLVRM-NXEZZACHSA-N 1 3 322.369 -0.884 20 0 DBADHO C[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001483911614 1012201903 /nfs/dbraw/zinc/20/19/03/1012201903.db2.gz KJQUXZBJNJLVRM-VHSXEESVSA-N 1 3 322.369 -0.884 20 0 DBADHO C[C@@H]1C[C@@H]([NH2+]CCOCCO)CCN1C(=O)Cc1c[nH]cn1 ZINC001483912985 1012203085 /nfs/dbraw/zinc/20/30/85/1012203085.db2.gz RXGWXMGCZFVYRV-OLZOCXBDSA-N 1 3 310.398 -0.070 20 0 DBADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484011999 1012247145 /nfs/dbraw/zinc/24/71/45/1012247145.db2.gz NZWDFFVWJFBJKD-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484011999 1012247155 /nfs/dbraw/zinc/24/71/55/1012247155.db2.gz NZWDFFVWJFBJKD-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484012001 1012250719 /nfs/dbraw/zinc/25/07/19/1012250719.db2.gz NZWDFFVWJFBJKD-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484012001 1012250740 /nfs/dbraw/zinc/25/07/40/1012250740.db2.gz NZWDFFVWJFBJKD-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484111961 1012314796 /nfs/dbraw/zinc/31/47/96/1012314796.db2.gz AXBHKVINNGEEOU-HNNXBMFYSA-N 1 3 307.398 -0.084 20 0 DBADHO CC[C@@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)[NH+](CC)CC ZINC001484234265 1012427870 /nfs/dbraw/zinc/42/78/70/1012427870.db2.gz AUVDFKZHTJNXNL-ZFWWWQNUSA-N 1 3 301.431 -0.348 20 0 DBADHO CC[C@H](C(=O)NC[C@]1(O)CCN(CCO)C1)[NH+](CC)CC ZINC001484234264 1012430531 /nfs/dbraw/zinc/43/05/31/1012430531.db2.gz AUVDFKZHTJNXNL-UKRRQHHQSA-N 1 3 301.431 -0.348 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001484410962 1012608514 /nfs/dbraw/zinc/60/85/14/1012608514.db2.gz UGSAVTGILDHGHW-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C)C1(C(=O)N(CCO)CC[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001484484915 1012711988 /nfs/dbraw/zinc/71/19/88/1012711988.db2.gz OIKCOLNQUDVZIH-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@H]([NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1)C(N)=O ZINC001484680687 1012825893 /nfs/dbraw/zinc/82/58/93/1012825893.db2.gz OXUSLXMTSWNIHI-RYUDHWBXSA-N 1 3 312.414 -0.839 20 0 DBADHO NC(=O)CNC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CCO1 ZINC001484700722 1012837788 /nfs/dbraw/zinc/83/77/88/1012837788.db2.gz RFUOQRAKXZVWON-CYBMUJFWSA-N 1 3 312.414 -0.835 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001484839528 1012872909 /nfs/dbraw/zinc/87/29/09/1012872909.db2.gz LHKGEMWHOPIFKZ-GDBMZVCRSA-N 1 3 313.442 -0.205 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496997867 1017183757 /nfs/dbraw/zinc/18/37/57/1017183757.db2.gz KHVFQEPZVRUTAP-DZGCQCFKSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001496997867 1017183763 /nfs/dbraw/zinc/18/37/63/1017183763.db2.gz KHVFQEPZVRUTAP-DZGCQCFKSA-N 1 3 323.441 -0.139 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCN1CCNC1=O ZINC001497548882 1017416414 /nfs/dbraw/zinc/41/64/14/1017416414.db2.gz KYAJGSYCPWLZDZ-IBUXWKBASA-N 1 3 309.414 -0.632 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCN1CCNC1=O ZINC001497548884 1017417622 /nfs/dbraw/zinc/41/76/22/1017417622.db2.gz KYAJGSYCPWLZDZ-YWVDXFKGSA-N 1 3 309.414 -0.632 20 0 DBADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CCN1CCNC1=O ZINC001497749821 1017486519 /nfs/dbraw/zinc/48/65/19/1017486519.db2.gz LPAZQGOMAFDUCU-OWOJBTEDSA-N 1 3 309.414 -0.631 20 0 DBADHO C[C@H](CNCC(=O)N(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001497950455 1017554654 /nfs/dbraw/zinc/55/46/54/1017554654.db2.gz KBXFOIIKCITUEO-GFCCVEGCSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001497955383 1017557828 /nfs/dbraw/zinc/55/78/28/1017557828.db2.gz ZZUBEZJXBDTAOM-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001497955383 1017557833 /nfs/dbraw/zinc/55/78/33/1017557833.db2.gz ZZUBEZJXBDTAOM-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001498051401 1017593244 /nfs/dbraw/zinc/59/32/44/1017593244.db2.gz UTYOPQPINOYZGU-QWRGUYRKSA-N 1 3 310.398 -0.630 20 0 DBADHO C[C@@H](CN[C@@H]1CCCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001498066759 1017602985 /nfs/dbraw/zinc/60/29/85/1017602985.db2.gz UHIYQXNYOUQLNC-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001498327854 1017737304 /nfs/dbraw/zinc/73/73/04/1017737304.db2.gz RJUCJFPENDSZRU-OAHLLOKOSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(NCC(N)=O)CCOCC2)C1 ZINC001500594234 1018355626 /nfs/dbraw/zinc/35/56/26/1018355626.db2.gz IEWYJGDEVICXDZ-GFCCVEGCSA-N 1 3 312.414 -0.932 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NCC2(NCC(N)=O)CCOCC2)C1 ZINC001500594234 1018355629 /nfs/dbraw/zinc/35/56/29/1018355629.db2.gz IEWYJGDEVICXDZ-GFCCVEGCSA-N 1 3 312.414 -0.932 20 0 DBADHO CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001500689540 1018410723 /nfs/dbraw/zinc/41/07/23/1018410723.db2.gz MDLVDZILBNESRA-UKRRQHHQSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)N(C)C)C1 ZINC001500689540 1018410725 /nfs/dbraw/zinc/41/07/25/1018410725.db2.gz MDLVDZILBNESRA-UKRRQHHQSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001500713984 1018421805 /nfs/dbraw/zinc/42/18/05/1018421805.db2.gz FRZCSZVWRPLCON-ZBFHGGJFSA-N 1 3 313.442 -0.346 20 0 DBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001500713984 1018421813 /nfs/dbraw/zinc/42/18/13/1018421813.db2.gz FRZCSZVWRPLCON-ZBFHGGJFSA-N 1 3 313.442 -0.346 20 0 DBADHO Cn1cc(CCN2CC[C@](O)(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001500722109 1018425730 /nfs/dbraw/zinc/42/57/30/1018425730.db2.gz MGDQVDLDASKUBR-INIZCTEOSA-N 1 3 323.441 -0.533 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)N(CCO)CC[NH2+]CCO)C1 ZINC001501492974 1018800604 /nfs/dbraw/zinc/80/06/04/1018800604.db2.gz PAPVCJJWTOQPOP-HNNXBMFYSA-N 1 3 319.421 -0.398 20 0 DBADHO CC[C@@H]([NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1)C(N)=O ZINC001502094468 1018988456 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DBADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCN1C ZINC001576580182 1019870544 /nfs/dbraw/zinc/87/05/44/1019870544.db2.gz UQJWSOONIVRVED-UPJWGTAASA-N 1 3 311.430 -0.425 20 0 DBADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCC1 ZINC001507117194 1020094938 /nfs/dbraw/zinc/09/49/38/1020094938.db2.gz XHOWDZVWAVKCJK-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CCN(C2CN(C(=O)C[C@@H]3CSCC[NH2+]3)C2)CC1 ZINC001577776009 1020118002 /nfs/dbraw/zinc/11/80/02/1020118002.db2.gz UXTWAILIWLVVRG-CYBMUJFWSA-N 1 3 312.483 -0.070 20 0 DBADHO CCN1CCN(C2CN(C(=O)C[C@H]3CSCC[NH2+]3)C2)CC1 ZINC001577776012 1020119487 /nfs/dbraw/zinc/11/94/87/1020119487.db2.gz UXTWAILIWLVVRG-ZDUSSCGKSA-N 1 3 312.483 -0.070 20 0 DBADHO O=C(N1CCO[C@H](CNCc2c[nH]nn2)C1)C12CC[NH+](CC1)C2 ZINC001577971442 1020159324 /nfs/dbraw/zinc/15/93/24/1020159324.db2.gz YLQPYHCYHQFCRC-CYBMUJFWSA-N 1 3 320.397 -0.783 20 0 DBADHO CN(C)C[C@@H](CO)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC001578412549 1020230420 /nfs/dbraw/zinc/23/04/20/1020230420.db2.gz PJTVZOUJXUQIQT-ZDUSSCGKSA-N 1 3 307.398 -0.857 20 0 DBADHO CN(C)CCN1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1=O ZINC001578418271 1020235841 /nfs/dbraw/zinc/23/58/41/1020235841.db2.gz CVYNRKRXVIOYBS-HNNXBMFYSA-N 1 3 324.469 -0.149 20 0 DBADHO CN1C[C@@H]2CCN(C(=O)c3cn([C@@H]4CCC[NH2+]C4)nn3)[C@@H]2C1 ZINC001578523591 1020255413 /nfs/dbraw/zinc/25/54/13/1020255413.db2.gz OARGFEKGHCFMKE-OUCADQQQSA-N 1 3 304.398 -0.021 20 0 DBADHO CNC(=O)c1ccc(CN[C@H]2CC(=O)N(C3C[NH2+]C3)C2)cc1 ZINC001578562625 1020271154 /nfs/dbraw/zinc/27/11/54/1020271154.db2.gz URIZWFGWCOOQMI-ZDUSSCGKSA-N 1 3 302.378 -0.292 20 0 DBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)NCCCCN1CCN(C)CC1 ZINC001578646405 1020279393 /nfs/dbraw/zinc/27/93/93/1020279393.db2.gz FKSDBEFSHJTIJY-CQSZACIVSA-N 1 3 315.462 -0.764 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001507544362 1020420704 /nfs/dbraw/zinc/42/07/04/1020420704.db2.gz YPSKJTZNLJSVJW-ZFWWWQNUSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001507544362 1020420707 /nfs/dbraw/zinc/42/07/07/1020420707.db2.gz YPSKJTZNLJSVJW-ZFWWWQNUSA-N 1 3 323.441 -0.329 20 0 DBADHO NCC(=O)N1CCC[C@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001580206569 1020669042 /nfs/dbraw/zinc/66/90/42/1020669042.db2.gz ILXVRBJXHIFIBR-TZMCWYRMSA-N 1 3 308.426 -0.073 20 0 DBADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001580206563 1020669117 /nfs/dbraw/zinc/66/91/17/1020669117.db2.gz ILXVRBJXHIFIBR-GXTWGEPZSA-N 1 3 308.426 -0.073 20 0 DBADHO O=C(CCN1CCC(CO)([NH2+]CC2CC2)CC1)N1CCNCC1 ZINC001580533621 1020746297 /nfs/dbraw/zinc/74/62/97/1020746297.db2.gz HURDZKPPFNAMAT-UHFFFAOYSA-N 1 3 324.469 -0.365 20 0 DBADHO O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001580558350 1020753348 /nfs/dbraw/zinc/75/33/48/1020753348.db2.gz VQBGZKGJENOAIQ-RBSFLKMASA-N 1 3 311.426 -0.187 20 0 DBADHO O=C(CO[C@@H]1CCC[NH2+]C1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001580558347 1020753641 /nfs/dbraw/zinc/75/36/41/1020753641.db2.gz VQBGZKGJENOAIQ-ILXRZTDVSA-N 1 3 311.426 -0.187 20 0 DBADHO O=C1O[C@@H](CN2CCN(C[C@H]3CCOC3)CC2)CC12C[NH2+]C2 ZINC001580853327 1020806736 /nfs/dbraw/zinc/80/67/36/1020806736.db2.gz GWUGDOPZSKCUOV-ZIAGYGMSSA-N 1 3 309.410 -0.454 20 0 DBADHO O=C1O[C@H](CN2CCN(C[C@@H]3CCOC3)CC2)CC12C[NH2+]C2 ZINC001580853322 1020807037 /nfs/dbraw/zinc/80/70/37/1020807037.db2.gz GWUGDOPZSKCUOV-KBPBESRZSA-N 1 3 309.410 -0.454 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001526185673 1022457942 /nfs/dbraw/zinc/45/79/42/1022457942.db2.gz LOZLDABKGFAMKX-TTZDDIAXSA-N 1 3 322.453 -0.147 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001526185673 1022457958 /nfs/dbraw/zinc/45/79/58/1022457958.db2.gz LOZLDABKGFAMKX-TTZDDIAXSA-N 1 3 322.453 -0.147 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)C1 ZINC001526275207 1022477285 /nfs/dbraw/zinc/47/72/85/1022477285.db2.gz BMZASUWDBSREHH-WVZRYYJFSA-N 1 3 322.453 -0.147 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001567082877 1024507327 /nfs/dbraw/zinc/50/73/27/1024507327.db2.gz YIWMYJWFYSTIPF-GFCCVEGCSA-N 1 3 312.414 -0.430 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001567475420 1024718220 /nfs/dbraw/zinc/71/82/20/1024718220.db2.gz HYRCZEXQURYJEA-CYBMUJFWSA-N 1 3 313.446 -0.164 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001567475421 1024720390 /nfs/dbraw/zinc/72/03/90/1024720390.db2.gz HYRCZEXQURYJEA-ZDUSSCGKSA-N 1 3 313.446 -0.164 20 0 DBADHO CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001567570649 1024793679 /nfs/dbraw/zinc/79/36/79/1024793679.db2.gz CILNADHVDNCWSB-CYBMUJFWSA-N 1 3 324.425 -0.429 20 0 DBADHO CC(C)N(C)CC(=O)N(C)CCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001569270417 1025190033 /nfs/dbraw/zinc/19/00/33/1025190033.db2.gz VHACIQRZFMCVIY-LBPRGKRZSA-N 1 3 312.414 -0.430 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(CCOCCO)C2)C1 ZINC001569651441 1025299200 /nfs/dbraw/zinc/29/92/00/1025299200.db2.gz RPODJZGGGYWVOQ-GDBMZVCRSA-N 1 3 313.442 -0.082 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N[C@]2(C)CCN(CCOCCO)C2)C1 ZINC001569651441 1025299215 /nfs/dbraw/zinc/29/92/15/1025299215.db2.gz RPODJZGGGYWVOQ-GDBMZVCRSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@H](NC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CCO1)C(N)=O ZINC001570159509 1025503091 /nfs/dbraw/zinc/50/30/91/1025503091.db2.gz COSZHPLGAQVEBP-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCOCCO ZINC001570344454 1025586938 /nfs/dbraw/zinc/58/69/38/1025586938.db2.gz PAQFCRKKVXFYHC-DZGCQCFKSA-N 1 3 313.442 -0.084 20 0 DBADHO COCC[NH2+]CC1(O)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001570427064 1025611612 /nfs/dbraw/zinc/61/16/12/1025611612.db2.gz IJCCULUIBLWOPA-UHFFFAOYSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)N1CCCCCC1 ZINC001571590834 1026103275 /nfs/dbraw/zinc/10/32/75/1026103275.db2.gz BCHICIOCXNGXNF-KBPBESRZSA-N 1 3 301.431 -0.348 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)C1CC[NH2+]CC1 ZINC001573624506 1026604019 /nfs/dbraw/zinc/60/40/19/1026604019.db2.gz CHFSGFJECJBRKP-LLVKDONJSA-N 1 3 318.443 -0.880 20 0 DBADHO C[NH+](C)C[C@H]1CN(C(=O)[C@@H](N)CCC(N)=O)c2ccccc2O1 ZINC001573859037 1026643561 /nfs/dbraw/zinc/64/35/61/1026643561.db2.gz QSLHNYOZJQIHFR-RYUDHWBXSA-N 1 3 320.393 -0.065 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001573885614 1026653615 /nfs/dbraw/zinc/65/36/15/1026653615.db2.gz SIQIJUZPRLYASE-JHJVBQTASA-N 1 3 312.389 -0.549 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC001573957654 1026676190 /nfs/dbraw/zinc/67/61/90/1026676190.db2.gz WOXWTGCNEWKKQV-XUJVJEKNSA-N 1 3 312.414 -0.668 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)CC1=O ZINC000361077544 282103672 /nfs/dbraw/zinc/10/36/72/282103672.db2.gz BWNRIKULVHGIMI-RBSFLKMASA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000331767017 282194771 /nfs/dbraw/zinc/19/47/71/282194771.db2.gz GUXBCFJIXAIDJW-RBSFLKMASA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH2+]CCCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418280561 529967670 /nfs/dbraw/zinc/96/76/70/529967670.db2.gz AZIMYUNFZKHDSW-ZDUSSCGKSA-N 1 3 311.430 -0.456 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000373436166 138173028 /nfs/dbraw/zinc/17/30/28/138173028.db2.gz NSABQKUCFQYUKX-YOEHRIQHSA-N 1 3 322.453 -0.001 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000410785569 237111110 /nfs/dbraw/zinc/11/11/10/237111110.db2.gz UIZQFGWGTAKIJV-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000410785569 237111124 /nfs/dbraw/zinc/11/11/24/237111124.db2.gz UIZQFGWGTAKIJV-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO [NH3+]C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000418399499 237360281 /nfs/dbraw/zinc/36/02/81/237360281.db2.gz LHCYXNFEQOAEIG-AWEZNQCLSA-N 1 3 323.441 -0.327 20 0 DBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000262615785 283597792 /nfs/dbraw/zinc/59/77/92/283597792.db2.gz GTHQYEHXRJDNNG-IHRRRGAJSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000449345100 238353282 /nfs/dbraw/zinc/35/32/82/238353282.db2.gz UCNJPUFEJSINHM-ZIAGYGMSSA-N 1 3 308.426 -0.392 20 0 DBADHO [NH3+]CC1CCN(CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC000563153021 284026999 /nfs/dbraw/zinc/02/69/99/284026999.db2.gz IOTYZQIJWVVHNV-UHFFFAOYSA-N 1 3 318.425 -0.204 20 0 DBADHO N[C@@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563437331 284039498 /nfs/dbraw/zinc/03/94/98/284039498.db2.gz YSMFXBPEJVJOHW-IHRRRGAJSA-N 1 3 302.378 -0.673 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C[NH+]1CCCC1 ZINC000563457183 284041436 /nfs/dbraw/zinc/04/14/36/284041436.db2.gz JTAANMCTNXVQRR-MGPQQGTHSA-N 1 3 323.441 -0.328 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564384921 284059861 /nfs/dbraw/zinc/05/98/61/284059861.db2.gz CSPDUVHEWXFYAH-JKSUJKDBSA-N 1 3 324.469 -0.320 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564384921 284059863 /nfs/dbraw/zinc/05/98/63/284059863.db2.gz CSPDUVHEWXFYAH-JKSUJKDBSA-N 1 3 324.469 -0.320 20 0 DBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCN1C1CCOCC1 ZINC000564953808 284074366 /nfs/dbraw/zinc/07/43/66/284074366.db2.gz HBWUOFXYEOHCNO-LSDHHAIUSA-N 1 3 310.442 -0.350 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CCN2C1=O ZINC000565250425 284090952 /nfs/dbraw/zinc/09/09/52/284090952.db2.gz NFXKTPCBBMOWHP-RDBSUJKOSA-N 1 3 323.441 -0.153 20 0 DBADHO O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000565256090 284091418 /nfs/dbraw/zinc/09/14/18/284091418.db2.gz ZVKFRXMUWPQHMY-ZDUSSCGKSA-N 1 3 324.425 -0.774 20 0 DBADHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000565255063 284091692 /nfs/dbraw/zinc/09/16/92/284091692.db2.gz OUNDULBOOAFWBW-XQQFMLRXSA-N 1 3 309.414 -0.576 20 0 DBADHO CC[N@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000565255063 284091694 /nfs/dbraw/zinc/09/16/94/284091694.db2.gz OUNDULBOOAFWBW-XQQFMLRXSA-N 1 3 309.414 -0.576 20 0 DBADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CCOC2CNC2)CC1 ZINC000348999481 296181194 /nfs/dbraw/zinc/18/11/94/296181194.db2.gz LXRWCISIKSUYLG-CYBMUJFWSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCC1 ZINC000643552831 374269811 /nfs/dbraw/zinc/26/98/11/374269811.db2.gz PFMAIDXPXYVTJH-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1N(C)C ZINC000643591533 374289042 /nfs/dbraw/zinc/28/90/42/374289042.db2.gz GHAWMAXFNKOWIM-CRWXNKLISA-N 1 3 308.426 -0.252 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)C[C@@H]21 ZINC000643590389 374289609 /nfs/dbraw/zinc/28/96/09/374289609.db2.gz XEVPJSQEOLMJRE-DGAVXFQQSA-N 1 3 306.410 -0.641 20 0 DBADHO C[C@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@H]1C[NH3+] ZINC000643593541 374294425 /nfs/dbraw/zinc/29/44/25/374294425.db2.gz AWZYPAPHPGZMEA-XDQVBPFNSA-N 1 3 308.426 -0.408 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642713063 374432592 /nfs/dbraw/zinc/43/25/92/374432592.db2.gz ZBKQKUWDPZZNFC-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642785943 374574506 /nfs/dbraw/zinc/57/45/06/374574506.db2.gz SUVXWIMZOOTSNQ-KGLIPLIRSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642785942 374574985 /nfs/dbraw/zinc/57/49/85/374574985.db2.gz SUVXWIMZOOTSNQ-KBPBESRZSA-N 1 3 308.426 -0.155 20 0 DBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000642786047 374575346 /nfs/dbraw/zinc/57/53/46/374575346.db2.gz ZCKRPPHVOBOLKQ-RDBSUJKOSA-N 1 3 308.426 -0.027 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000568505556 374602668 /nfs/dbraw/zinc/60/26/68/374602668.db2.gz BQDQUSUTOLJPKK-MRXNPFEDSA-N 1 3 312.458 -0.244 20 0 DBADHO Nc1nc(N)nc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000624392458 374637346 /nfs/dbraw/zinc/63/73/46/374637346.db2.gz RNVXMEFHRLSJKA-GFCCVEGCSA-N 1 3 315.381 -0.703 20 0 DBADHO Nc1nc(N)nc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000624392458 374637363 /nfs/dbraw/zinc/63/73/63/374637363.db2.gz RNVXMEFHRLSJKA-GFCCVEGCSA-N 1 3 315.381 -0.703 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642792283 374611442 /nfs/dbraw/zinc/61/14/42/374611442.db2.gz IUEIFOKNTVZSTM-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1=O ZINC000634745644 374760441 /nfs/dbraw/zinc/76/04/41/374760441.db2.gz ODMSWNLMTPZRJU-RRQGHBQHSA-N 1 3 322.453 -0.146 20 0 DBADHO COc1nc(N(C)CCN(C)C)nc(N(C)CC[NH+](C)C)n1 ZINC000426906644 374830827 /nfs/dbraw/zinc/83/08/27/374830827.db2.gz HBELNEGJJNLCFZ-UHFFFAOYSA-N 1 3 311.434 -0.124 20 0 DBADHO CC[NH2+]CCCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642895487 374902222 /nfs/dbraw/zinc/90/22/22/374902222.db2.gz RTULCEZXBXYIIR-UHFFFAOYSA-N 1 3 319.409 -0.154 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CC1 ZINC000642898765 374949353 /nfs/dbraw/zinc/94/93/53/374949353.db2.gz BMYBWQIRKMOEFM-CQSZACIVSA-N 1 3 317.393 -0.416 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152815886 374973415 /nfs/dbraw/zinc/97/34/15/374973415.db2.gz FLMBBLNVBAKGJX-OKILXGFUSA-N 1 3 308.426 -0.154 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000152815886 374973426 /nfs/dbraw/zinc/97/34/26/374973426.db2.gz FLMBBLNVBAKGJX-OKILXGFUSA-N 1 3 308.426 -0.154 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152815886 374973434 /nfs/dbraw/zinc/97/34/34/374973434.db2.gz FLMBBLNVBAKGJX-OKILXGFUSA-N 1 3 308.426 -0.154 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000152815886 374973437 /nfs/dbraw/zinc/97/34/37/374973437.db2.gz FLMBBLNVBAKGJX-OKILXGFUSA-N 1 3 308.426 -0.154 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000152815886 374973443 /nfs/dbraw/zinc/97/34/43/374973443.db2.gz FLMBBLNVBAKGJX-OKILXGFUSA-N 1 3 308.426 -0.154 20 0 DBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000237421348 375000138 /nfs/dbraw/zinc/00/01/38/375000138.db2.gz GTHQYEHXRJDNNG-MELADBBJSA-N 1 3 310.442 -0.018 20 0 DBADHO COCCC[N@H+](C)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000074616975 375000462 /nfs/dbraw/zinc/00/04/62/375000462.db2.gz JSTSLODVHWEZPM-UHFFFAOYSA-N 1 3 316.446 -0.289 20 0 DBADHO COCCC[N@@H+](C)CCNC(=O)NCC1(O)CCN(C)CC1 ZINC000074616975 375000470 /nfs/dbraw/zinc/00/04/70/375000470.db2.gz JSTSLODVHWEZPM-UHFFFAOYSA-N 1 3 316.446 -0.289 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642919009 375018679 /nfs/dbraw/zinc/01/86/79/375018679.db2.gz KVIJZVOVXKMQPK-UHFFFAOYSA-N 1 3 317.393 -0.402 20 0 DBADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCCC[C@@H](N)C3=O)[C@H]2C1 ZINC000643794150 375057567 /nfs/dbraw/zinc/05/75/67/375057567.db2.gz GJEQOTBCHBTLLA-MCIONIFRSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCC[C@@H](N)C3=O)[C@H]2C1 ZINC000643794150 375057573 /nfs/dbraw/zinc/05/75/73/375057573.db2.gz GJEQOTBCHBTLLA-MCIONIFRSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CN(C)CCO1 ZINC000081044390 375149575 /nfs/dbraw/zinc/14/95/75/375149575.db2.gz HVVMVNBDIOJETJ-HNNXBMFYSA-N 1 3 312.458 -0.199 20 0 DBADHO CNC[C@](C)(O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000570521725 375369006 /nfs/dbraw/zinc/36/90/06/375369006.db2.gz YQNWIQAYEWKHPS-INIZCTEOSA-N 1 3 323.441 -0.168 20 0 DBADHO CCN1CCN(CCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000570670221 375382936 /nfs/dbraw/zinc/38/29/36/375382936.db2.gz HLPUGMCAWUJTFV-HNNXBMFYSA-N 1 3 309.458 -0.870 20 0 DBADHO CCN1CCN(CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000570670221 375382943 /nfs/dbraw/zinc/38/29/43/375382943.db2.gz HLPUGMCAWUJTFV-HNNXBMFYSA-N 1 3 309.458 -0.870 20 0 DBADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCC1 ZINC000570943278 375427033 /nfs/dbraw/zinc/42/70/33/375427033.db2.gz RUXNBLMPDAAGLK-OLZOCXBDSA-N 1 3 323.441 -0.186 20 0 DBADHO CCO[C@H]1C[C@@](N)(C(=O)NCCCN2CC[NH2+]CC2)C1(C)C ZINC000187167430 375433025 /nfs/dbraw/zinc/43/30/25/375433025.db2.gz JBGQNDLGMIBVIJ-XJKSGUPXSA-N 1 3 312.458 -0.070 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000643005775 375476062 /nfs/dbraw/zinc/47/60/62/375476062.db2.gz FQHDTRDIMKOKDV-MGPQQGTHSA-N 1 3 324.425 -0.824 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627372839 375591525 /nfs/dbraw/zinc/59/15/25/375591525.db2.gz YCCNSTXDVFTUIO-CYBMUJFWSA-N 1 3 314.430 -0.541 20 0 DBADHO C[C@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N(C)C1CC1 ZINC000627372200 375552690 /nfs/dbraw/zinc/55/26/90/375552690.db2.gz GBIGBLZKBPPNEO-YPMHNXCESA-N 1 3 308.426 -0.014 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000364602952 375654028 /nfs/dbraw/zinc/65/40/28/375654028.db2.gz QZVCUQVFDNKDFN-RHSMWYFYSA-N 1 3 320.437 -0.247 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591450634 375714029 /nfs/dbraw/zinc/71/40/29/375714029.db2.gz HTHRULUISPNNPA-OCCSQVGLSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591450634 375714032 /nfs/dbraw/zinc/71/40/32/375714032.db2.gz HTHRULUISPNNPA-OCCSQVGLSA-N 1 3 308.426 -0.121 20 0 DBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000592219566 375788975 /nfs/dbraw/zinc/78/89/75/375788975.db2.gz OEYQQUOWBQTQGW-OWCLPIDISA-N 1 3 324.469 -0.010 20 0 DBADHO CCO[C@@H]1CN(CCC(=O)N(C)CC(=O)OC)C[C@H]1C[NH3+] ZINC000593734995 375886449 /nfs/dbraw/zinc/88/64/49/375886449.db2.gz SMKGCFVXLVXBFX-VXGBXAGGSA-N 1 3 301.387 -0.697 20 0 DBADHO COC(=O)CCN1CCC[C@H](N2CCC(O)(C[NH3+])CC2)C1=O ZINC000595892727 376042955 /nfs/dbraw/zinc/04/29/55/376042955.db2.gz LCDGTKBCYJPVPD-LBPRGKRZSA-N 1 3 313.398 -0.674 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CCN2C1=O ZINC000595263915 375984951 /nfs/dbraw/zinc/98/49/51/375984951.db2.gz WZFIGLGDYXBPGP-BFHYXJOUSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595263915 375984961 /nfs/dbraw/zinc/98/49/61/375984961.db2.gz WZFIGLGDYXBPGP-BFHYXJOUSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCN2C1=O ZINC000595273005 375988970 /nfs/dbraw/zinc/98/89/70/375988970.db2.gz HAXRQCZVNWYTGD-ZOBORPQBSA-N 1 3 321.425 -0.672 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCCC3CC[NH2+]CC3)CCN2C1=O ZINC000595271929 375989681 /nfs/dbraw/zinc/98/96/81/375989681.db2.gz QHMSRUZKJAJDEM-QWHCGFSZSA-N 1 3 309.414 -0.671 20 0 DBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000597225850 376118716 /nfs/dbraw/zinc/11/87/16/376118716.db2.gz KDTXZRZIKQLZBK-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000597225850 376118722 /nfs/dbraw/zinc/11/87/22/376118722.db2.gz KDTXZRZIKQLZBK-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@]3(C)CNCCO3)C2)CC1 ZINC000602479717 376447187 /nfs/dbraw/zinc/44/71/87/376447187.db2.gz APFWSZJJMIQBEV-WBVHZDCISA-N 1 3 324.469 -0.008 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636814627 376561098 /nfs/dbraw/zinc/56/10/98/376561098.db2.gz GKEKKEIFQVZVLJ-CHWSQXEVSA-N 1 3 300.403 -0.927 20 0 DBADHO COCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636814627 376561102 /nfs/dbraw/zinc/56/11/02/376561102.db2.gz GKEKKEIFQVZVLJ-CHWSQXEVSA-N 1 3 300.403 -0.927 20 0 DBADHO COCC[N@H+]1CC[C@@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636814627 376561108 /nfs/dbraw/zinc/56/11/08/376561108.db2.gz GKEKKEIFQVZVLJ-CHWSQXEVSA-N 1 3 300.403 -0.927 20 0 DBADHO C[NH+](C)[C@]1(CNC(=O)NCCN2CC[C@H](O)C2)CCSC1 ZINC000636900557 376589947 /nfs/dbraw/zinc/58/99/47/376589947.db2.gz DRYNOLWPPDVVAC-JSGCOSHPSA-N 1 3 316.471 -0.211 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)N1CCN(c2ccncc2)CC1 ZINC000637062627 376646098 /nfs/dbraw/zinc/64/60/98/376646098.db2.gz CVTJAGAZKDKDBJ-UHFFFAOYSA-N 1 3 318.425 -0.182 20 0 DBADHO CCn1nncc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000637298624 376780058 /nfs/dbraw/zinc/78/00/58/376780058.db2.gz OMMIZYXRQXSRFM-UHFFFAOYSA-N 1 3 311.434 -0.067 20 0 DBADHO C[NH+](C)C1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000571061669 377010083 /nfs/dbraw/zinc/01/00/83/377010083.db2.gz BUFICPVWLBEPII-PQAZSJQKSA-N 1 3 323.441 -0.187 20 0 DBADHO COCCN(C)CCNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000171202342 377340527 /nfs/dbraw/zinc/34/05/27/377340527.db2.gz USKNVWZPWQCUIG-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[NH2+]1 ZINC000627481435 377278832 /nfs/dbraw/zinc/27/88/32/377278832.db2.gz CRKKVOJBHMYHPQ-RDBSUJKOSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@]1(C(N)=O)CCN(C/C=C/C[N@@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000280786060 377702722 /nfs/dbraw/zinc/70/27/22/377702722.db2.gz QQRKHMURLHBALD-OBMMGQTPSA-N 1 3 308.426 -0.063 20 0 DBADHO C[C@@]1(C(N)=O)CCN(C/C=C/C[N@H+]2CC[C@@](C)(C(N)=O)C2)C1 ZINC000280786060 377702728 /nfs/dbraw/zinc/70/27/28/377702728.db2.gz QQRKHMURLHBALD-OBMMGQTPSA-N 1 3 308.426 -0.063 20 0 DBADHO CO[C@@H](CN)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000353449156 377717044 /nfs/dbraw/zinc/71/70/44/377717044.db2.gz NIILPJSOUXHOBS-ZNMIVQPWSA-N 1 3 312.458 -0.023 20 0 DBADHO CO[C@@H](CN)C(=O)N1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000353449156 377717051 /nfs/dbraw/zinc/71/70/51/377717051.db2.gz NIILPJSOUXHOBS-ZNMIVQPWSA-N 1 3 312.458 -0.023 20 0 DBADHO C[C@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CNCCO1 ZINC000638097858 377836718 /nfs/dbraw/zinc/83/67/18/377836718.db2.gz IBCQWKZFZUFZND-MRXNPFEDSA-N 1 3 324.425 -0.869 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000638279705 377867837 /nfs/dbraw/zinc/86/78/37/377867837.db2.gz VJIOINYFSONYHS-HOCLYGCPSA-N 1 3 312.458 -0.151 20 0 DBADHO CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000638279701 377868037 /nfs/dbraw/zinc/86/80/37/377868037.db2.gz VJIOINYFSONYHS-GDBMZVCRSA-N 1 3 312.458 -0.151 20 0 DBADHO CCN1CCN(CCNC(=O)[C@]2(COC)CCCC[NH2+]2)CC1 ZINC000638137862 377849771 /nfs/dbraw/zinc/84/97/71/377849771.db2.gz PLNBXWWDAMRNNL-MRXNPFEDSA-N 1 3 312.458 -0.101 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137866 377850486 /nfs/dbraw/zinc/85/04/86/377850486.db2.gz PMGLVLQBEXBBOL-GOEBONIOSA-N 1 3 312.458 -0.116 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638169622 377854913 /nfs/dbraw/zinc/85/49/13/377854913.db2.gz BPWSOIUGGXREDM-CABCVRRESA-N 1 3 306.410 -0.368 20 0 DBADHO COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638431128 377913685 /nfs/dbraw/zinc/91/36/85/377913685.db2.gz ITMHHPLICDEMIY-CHWSQXEVSA-N 1 3 305.394 -0.131 20 0 DBADHO COCCOCC[N@@H+](C)CCC(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000638431128 377913690 /nfs/dbraw/zinc/91/36/90/377913690.db2.gz ITMHHPLICDEMIY-CHWSQXEVSA-N 1 3 305.394 -0.131 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000340508411 378011620 /nfs/dbraw/zinc/01/16/20/378011620.db2.gz YRIIOBNTFZPQHP-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CCN(CCC(=O)N(C)CCOCC[NH2+]C)CC1 ZINC000638592819 378013963 /nfs/dbraw/zinc/01/39/63/378013963.db2.gz QWXPXDQBEWMJOT-UHFFFAOYSA-N 1 3 300.447 -0.292 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000340521453 378016353 /nfs/dbraw/zinc/01/63/53/378016353.db2.gz KIDDIWILTHPXSE-LBPRGKRZSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000340521453 378016361 /nfs/dbraw/zinc/01/63/61/378016361.db2.gz KIDDIWILTHPXSE-LBPRGKRZSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN1CCN(C[C@H](C)C[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000638555567 377996204 /nfs/dbraw/zinc/99/62/04/377996204.db2.gz YOPBLIWDBHCHCS-GFCCVEGCSA-N 1 3 307.446 -0.335 20 0 DBADHO O=C(CCOC1CNC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784617 378081924 /nfs/dbraw/zinc/08/19/24/378081924.db2.gz VRFRLNZZNAGQPZ-CQSZACIVSA-N 1 3 311.426 -0.018 20 0 DBADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1COCCN1 ZINC000638613243 378026200 /nfs/dbraw/zinc/02/62/00/378026200.db2.gz UWHQWYGXTKVBAT-CABCVRRESA-N 1 3 306.410 -0.450 20 0 DBADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1COCCN1 ZINC000638613243 378026208 /nfs/dbraw/zinc/02/62/08/378026208.db2.gz UWHQWYGXTKVBAT-CABCVRRESA-N 1 3 306.410 -0.450 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000342766792 378115377 /nfs/dbraw/zinc/11/53/77/378115377.db2.gz XKGPOJQARGHQQJ-MFKMUULPSA-N 1 3 303.428 -0.180 20 0 DBADHO C[NH+](C)CCNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000342656772 378107308 /nfs/dbraw/zinc/10/73/08/378107308.db2.gz GEBOLXPFXNYZTM-UHFFFAOYSA-N 1 3 315.462 -0.763 20 0 DBADHO COC[C@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000638909019 378153002 /nfs/dbraw/zinc/15/30/02/378153002.db2.gz BOCVZIAQFIQBHG-HIFRSBDPSA-N 1 3 322.413 -0.331 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)CC1=O ZINC000639026237 378299546 /nfs/dbraw/zinc/29/95/46/378299546.db2.gz YTZBQIDJJFGSAF-KFWWJZLASA-N 1 3 322.453 -0.003 20 0 DBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343297982 378319381 /nfs/dbraw/zinc/31/93/81/378319381.db2.gz NBIFTZXUQLQNDN-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343297982 378319388 /nfs/dbraw/zinc/31/93/88/378319388.db2.gz NBIFTZXUQLQNDN-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367051781 378400212 /nfs/dbraw/zinc/40/02/12/378400212.db2.gz DCYVMRJBFBLNQY-INIZCTEOSA-N 1 3 323.485 -0.528 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000367051781 378400215 /nfs/dbraw/zinc/40/02/15/378400215.db2.gz DCYVMRJBFBLNQY-INIZCTEOSA-N 1 3 323.485 -0.528 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN(C)S(C)(=O)=O ZINC000617503965 378368308 /nfs/dbraw/zinc/36/83/08/378368308.db2.gz CILWRIIIPLSFNS-LBPRGKRZSA-N 1 3 322.475 -0.734 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN(C)S(C)(=O)=O ZINC000617503965 378368314 /nfs/dbraw/zinc/36/83/14/378368314.db2.gz CILWRIIIPLSFNS-LBPRGKRZSA-N 1 3 322.475 -0.734 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1COCCN1C ZINC000617506645 378369657 /nfs/dbraw/zinc/36/96/57/378369657.db2.gz VBKMZCOWUGCCOF-KBPBESRZSA-N 1 3 300.447 -0.295 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1COCCN1C ZINC000617506645 378369662 /nfs/dbraw/zinc/36/96/62/378369662.db2.gz VBKMZCOWUGCCOF-KBPBESRZSA-N 1 3 300.447 -0.295 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC000617506276 378369765 /nfs/dbraw/zinc/36/97/65/378369765.db2.gz IEOUWCKWUYGBFM-LBPRGKRZSA-N 1 3 322.475 -0.734 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CS(=O)(=O)N(C)C ZINC000617506276 378369771 /nfs/dbraw/zinc/36/97/71/378369771.db2.gz IEOUWCKWUYGBFM-LBPRGKRZSA-N 1 3 322.475 -0.734 20 0 DBADHO O=C(C[C@H]1CCC[NH2+]1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000167412581 378499693 /nfs/dbraw/zinc/49/96/93/378499693.db2.gz WXOZLQZOQXNXNF-CQSZACIVSA-N 1 3 308.426 -0.105 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@@H]1[NH3+] ZINC000332129209 378539436 /nfs/dbraw/zinc/53/94/36/378539436.db2.gz BMVCJWGPAXYNHX-RDBSUJKOSA-N 1 3 308.426 -0.121 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000332235606 378542171 /nfs/dbraw/zinc/54/21/71/378542171.db2.gz OFLPMAXHZOKZGP-MGPQQGTHSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000332598344 378545867 /nfs/dbraw/zinc/54/58/67/378545867.db2.gz OAKYPVVMPPCQQZ-RFGFWPKPSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC[C@H]1[NH3+] ZINC000332610212 378546116 /nfs/dbraw/zinc/54/61/16/378546116.db2.gz LIVMTWCKTDHTOZ-YIYPIFLZSA-N 1 3 308.426 -0.123 20 0 DBADHO CSCC[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600821 378673951 /nfs/dbraw/zinc/67/39/51/378673951.db2.gz XZWFFRLVJRCULU-NWDGAFQWSA-N 1 3 316.471 -0.230 20 0 DBADHO CSCC[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600821 378673952 /nfs/dbraw/zinc/67/39/52/378673952.db2.gz XZWFFRLVJRCULU-NWDGAFQWSA-N 1 3 316.471 -0.230 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000354752839 378762967 /nfs/dbraw/zinc/76/29/67/378762967.db2.gz UISFXQOWXXHXKD-YRGRVCCFSA-N 1 3 308.426 -0.014 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000354897864 378772171 /nfs/dbraw/zinc/77/21/71/378772171.db2.gz JBVCINUDZWBPRO-INIZCTEOSA-N 1 3 324.469 -0.053 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000354897864 378772179 /nfs/dbraw/zinc/77/21/79/378772179.db2.gz JBVCINUDZWBPRO-INIZCTEOSA-N 1 3 324.469 -0.053 20 0 DBADHO CCOCCC[N@@H+]1CC[C@@H](Nc2nc(N)nc(N)n2)[C@H](C)C1 ZINC000623976125 379068756 /nfs/dbraw/zinc/06/87/56/379068756.db2.gz ZGABQOYZTXXJDB-GHMZBOCLSA-N 1 3 309.418 -0.332 20 0 DBADHO CCOCCC[N@H+]1CC[C@@H](Nc2nc(N)nc(N)n2)[C@H](C)C1 ZINC000623976125 379068763 /nfs/dbraw/zinc/06/87/63/379068763.db2.gz ZGABQOYZTXXJDB-GHMZBOCLSA-N 1 3 309.418 -0.332 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000361077543 379326523 /nfs/dbraw/zinc/32/65/23/379326523.db2.gz BWNRIKULVHGIMI-QLFBSQMISA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000361077541 379327540 /nfs/dbraw/zinc/32/75/40/379327540.db2.gz BWNRIKULVHGIMI-ILXRZTDVSA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)CC1=O ZINC000361077542 379327657 /nfs/dbraw/zinc/32/76/57/379327657.db2.gz BWNRIKULVHGIMI-KFWWJZLASA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N(C)CCC[NH3+] ZINC000582371758 379642855 /nfs/dbraw/zinc/64/28/55/379642855.db2.gz LMQQZLLMRRZPKD-CYBMUJFWSA-N 1 3 313.446 -0.081 20 0 DBADHO C[C@H]([NH3+])C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000178836802 379739419 /nfs/dbraw/zinc/73/94/19/379739419.db2.gz WJWJCKBRYHGTGO-GXTWGEPZSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)NC2CNC2)C1 ZINC000584769868 379843908 /nfs/dbraw/zinc/84/39/08/379843908.db2.gz GRROKGYSQXFMAL-BETUJISGSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C(=O)NC2CNC2)C1 ZINC000584769868 379843915 /nfs/dbraw/zinc/84/39/15/379843915.db2.gz GRROKGYSQXFMAL-BETUJISGSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)NC2CNC2)C1 ZINC000584769878 379844474 /nfs/dbraw/zinc/84/44/74/379844474.db2.gz GRROKGYSQXFMAL-CHWSQXEVSA-N 1 3 310.442 -0.051 20 0 DBADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC000633113346 379845222 /nfs/dbraw/zinc/84/52/22/379845222.db2.gz FHNDPTNIUFDZPI-JKIFEVAISA-N 1 3 320.437 -0.107 20 0 DBADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)C1 ZINC000633113347 379845740 /nfs/dbraw/zinc/84/57/40/379845740.db2.gz FHNDPTNIUFDZPI-VBQJREDUSA-N 1 3 320.437 -0.107 20 0 DBADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419737939 379962884 /nfs/dbraw/zinc/96/28/84/379962884.db2.gz UINAYWVQWXHDDX-VXGBXAGGSA-N 1 3 314.430 -0.326 20 0 DBADHO CCCN(C(=O)C(=O)NCCOCCN(C)C)[C@H]1CC[NH2+]C1 ZINC000419785065 379969673 /nfs/dbraw/zinc/96/96/73/379969673.db2.gz YGGVCEZHUBZNCU-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCSC1 ZINC000419576970 379941158 /nfs/dbraw/zinc/94/11/58/379941158.db2.gz CVAKWWNEZHARBV-SMDDNHRTSA-N 1 3 314.455 -0.607 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)N(C)C1CC1 ZINC000419592044 379943112 /nfs/dbraw/zinc/94/31/12/379943112.db2.gz RMYPDQDQAVGAFI-UPJWGTAASA-N 1 3 308.426 -0.347 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCSC1 ZINC000419583478 379943551 /nfs/dbraw/zinc/94/35/51/379943551.db2.gz LEYBEBLKBNWEER-SMDDNHRTSA-N 1 3 314.455 -0.592 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCSC1 ZINC000419592829 379943962 /nfs/dbraw/zinc/94/39/62/379943962.db2.gz XIYKFSZUNGTOQK-BXUZGUMPSA-N 1 3 314.455 -0.510 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C1CC1 ZINC000419697412 379956453 /nfs/dbraw/zinc/95/64/53/379956453.db2.gz QONUUJUOKVQPGA-JSGCOSHPSA-N 1 3 308.426 -0.027 20 0 DBADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419737936 379962501 /nfs/dbraw/zinc/96/25/01/379962501.db2.gz UINAYWVQWXHDDX-NWDGAFQWSA-N 1 3 314.430 -0.326 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419876134 379986503 /nfs/dbraw/zinc/98/65/03/379986503.db2.gz HPCSTIFJJYRIPA-STQMWFEESA-N 1 3 312.414 -0.966 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CC1 ZINC000419878864 379986906 /nfs/dbraw/zinc/98/69/06/379986906.db2.gz ZFECSTDIHRIMOR-UONOGXRCSA-N 1 3 308.426 -0.073 20 0 DBADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419883597 379989276 /nfs/dbraw/zinc/98/92/76/379989276.db2.gz ZITXHPRTCNDLFZ-UHFFFAOYSA-N 1 3 310.398 -0.105 20 0 DBADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000419899903 379992138 /nfs/dbraw/zinc/99/21/38/379992138.db2.gz ZTVBWBOTEJVWSU-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419904636 379992694 /nfs/dbraw/zinc/99/26/94/379992694.db2.gz YAASIZDSVWCTBV-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419950351 380002830 /nfs/dbraw/zinc/00/28/30/380002830.db2.gz MDWATZHTFSKMBO-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000420010008 380006823 /nfs/dbraw/zinc/00/68/23/380006823.db2.gz DTBQTYQAYRGSTK-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419983804 380010921 /nfs/dbraw/zinc/01/09/21/380010921.db2.gz UOZMTADVELHTKW-LBPRGKRZSA-N 1 3 302.419 -0.878 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000420063675 380017044 /nfs/dbraw/zinc/01/70/44/380017044.db2.gz NPULQFYEFLLXFM-RDBSUJKOSA-N 1 3 308.426 -0.075 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000420111280 380028535 /nfs/dbraw/zinc/02/85/35/380028535.db2.gz GMKKBUIREYQPQG-STQMWFEESA-N 1 3 314.430 -0.863 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCC[C@H]([NH3+])C2)n1 ZINC000420290526 380051113 /nfs/dbraw/zinc/05/11/13/380051113.db2.gz UPIUXQHZGNRGJZ-RYUDHWBXSA-N 1 3 323.445 -0.709 20 0 DBADHO COC[C@H](C)NC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420332458 380053606 /nfs/dbraw/zinc/05/36/06/380053606.db2.gz JUKXALWNYPQURF-RWMBFGLXSA-N 1 3 312.414 -0.222 20 0 DBADHO COC[C@@H](C)NC(=O)NC(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420332459 380054670 /nfs/dbraw/zinc/05/46/70/380054670.db2.gz JUKXALWNYPQURF-UPJWGTAASA-N 1 3 312.414 -0.222 20 0 DBADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000571821959 380120821 /nfs/dbraw/zinc/12/08/21/380120821.db2.gz YZMDPUBKTLKWIV-UPJWGTAASA-N 1 3 311.430 -0.330 20 0 DBADHO Cn1ccnc(NC[C@@H]2CN(CC3CC[NH2+]CC3)CCO2)c1=O ZINC000261932101 380161380 /nfs/dbraw/zinc/16/13/80/380161380.db2.gz LSAAVINTIPBPSQ-CQSZACIVSA-N 1 3 321.425 -0.107 20 0 DBADHO CC[C@H]1CN(CCC(=O)N2CCNCC2)CC[N@@H+]1C[C@@H](C)O ZINC000261989222 380164579 /nfs/dbraw/zinc/16/45/79/380164579.db2.gz CSBYENPKCDQOGL-CABCVRRESA-N 1 3 312.458 -0.415 20 0 DBADHO CC[C@H]1CN(CCC(=O)N2CCNCC2)CC[N@H+]1C[C@@H](C)O ZINC000261989222 380164581 /nfs/dbraw/zinc/16/45/81/380164581.db2.gz CSBYENPKCDQOGL-CABCVRRESA-N 1 3 312.458 -0.415 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ncccn1 ZINC000572424242 380229425 /nfs/dbraw/zinc/22/94/25/380229425.db2.gz ARTIVVYAAORQSU-UHFFFAOYSA-N 1 3 322.413 -0.955 20 0 DBADHO [NH3+][C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCC1 ZINC000423385486 380334749 /nfs/dbraw/zinc/33/47/49/380334749.db2.gz QTZYQSIVDUXXTO-OAHLLOKOSA-N 1 3 308.426 -0.120 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423213034 380316175 /nfs/dbraw/zinc/31/61/75/380316175.db2.gz MQYJEWFSUWBTBR-STQMWFEESA-N 1 3 312.414 -0.885 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423515016 380342791 /nfs/dbraw/zinc/34/27/91/380342791.db2.gz SMSNDKSHDATFDP-ZIAGYGMSSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423529084 380344126 /nfs/dbraw/zinc/34/41/26/380344126.db2.gz VGBHHUJPXXNXCY-MRXNPFEDSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643489751 380360166 /nfs/dbraw/zinc/36/01/66/380360166.db2.gz FOQWINCKIOEBFE-KKUMJFAQSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000643498893 380485873 /nfs/dbraw/zinc/48/58/73/380485873.db2.gz SNNUSNOYEXEHOM-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 ZINC000643498777 380486179 /nfs/dbraw/zinc/48/61/79/380486179.db2.gz UKKNOYODLBDCPW-UONOGXRCSA-N 1 3 324.425 -0.741 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000643498895 380486349 /nfs/dbraw/zinc/48/63/49/380486349.db2.gz SNNUSNOYEXEHOM-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C1 ZINC000643498892 380486654 /nfs/dbraw/zinc/48/66/54/380486654.db2.gz SNNUSNOYEXEHOM-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CCO1 ZINC000643502496 380493056 /nfs/dbraw/zinc/49/30/56/380493056.db2.gz IEXYWDJSTWDYSS-OLZOCXBDSA-N 1 3 312.414 -0.885 20 0 DBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CCO1 ZINC000643502495 380493823 /nfs/dbraw/zinc/49/38/23/380493823.db2.gz IEXYWDJSTWDYSS-CHWSQXEVSA-N 1 3 312.414 -0.885 20 0 DBADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N1CC[C@H](N2CCCC2)C1 ZINC000643504127 380500497 /nfs/dbraw/zinc/50/04/97/380500497.db2.gz FEKYYHWLVBWWQW-ILXRZTDVSA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[NH2+]1 ZINC000626889530 380502035 /nfs/dbraw/zinc/50/20/35/380502035.db2.gz FNTZBAVDKHSYKR-NWDGAFQWSA-N 1 3 322.413 -0.360 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643505790 380503648 /nfs/dbraw/zinc/50/36/48/380503648.db2.gz PGMHRXGAWPPRDO-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCN1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626931141 380510069 /nfs/dbraw/zinc/51/00/69/380510069.db2.gz UALYJVZPXKCDGO-UHFFFAOYSA-N 1 3 315.462 -0.371 20 0 DBADHO CN(C)CCN1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626930681 380511182 /nfs/dbraw/zinc/51/11/82/380511182.db2.gz GMSTXJHMXCQWAF-UHFFFAOYSA-N 1 3 315.462 -0.323 20 0 DBADHO CN1CCC[C@H]1CNC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626949585 380513838 /nfs/dbraw/zinc/51/38/38/380513838.db2.gz FXOXIGWRJUMMMY-QWHCGFSZSA-N 1 3 307.402 -0.294 20 0 DBADHO CN1CCC[C@H]1CNC(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC000626949586 380514736 /nfs/dbraw/zinc/51/47/36/380514736.db2.gz FXOXIGWRJUMMMY-STQMWFEESA-N 1 3 307.402 -0.294 20 0 DBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643513918 380533934 /nfs/dbraw/zinc/53/39/34/380533934.db2.gz MXIWBKPOAZCTPT-HZSPNIEDSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000643516818 380543755 /nfs/dbraw/zinc/54/37/55/380543755.db2.gz YTALVQPKXOAXOB-LXTVHRRPSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@H]1N(C)C ZINC000643520744 380547780 /nfs/dbraw/zinc/54/77/80/380547780.db2.gz IEZULWFCFVEKOZ-IKOXMDCHSA-N 1 3 308.426 -0.409 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@H]1N(C)C ZINC000643520828 380548235 /nfs/dbraw/zinc/54/82/35/380548235.db2.gz WASZCAWXMBYFLZ-XJFOESAGSA-N 1 3 308.426 -0.395 20 0 DBADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629595423 380696024 /nfs/dbraw/zinc/69/60/24/380696024.db2.gz PBCXUHDWUWDDKF-CHWSQXEVSA-N 1 3 317.455 -0.231 20 0 DBADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000629795528 380723299 /nfs/dbraw/zinc/72/32/99/380723299.db2.gz YOZYDVFPIJTWFC-ZDUSSCGKSA-N 1 3 314.430 -0.637 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000629801903 380725957 /nfs/dbraw/zinc/72/59/57/380725957.db2.gz DFQHBYIUFWMZJW-CYBMUJFWSA-N 1 3 314.430 -0.639 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000167408967 380810968 /nfs/dbraw/zinc/81/09/68/380810968.db2.gz PACNMTDGIBBZKR-AWEZNQCLSA-N 1 3 308.426 -0.105 20 0 DBADHO CCNCc1ccn(Cc2cn(C[C@H](O)C[N@H+](C)CC)nn2)n1 ZINC000641223887 380866311 /nfs/dbraw/zinc/86/63/11/380866311.db2.gz UHNSZCUCGGCXLF-OAHLLOKOSA-N 1 3 321.429 -0.055 20 0 DBADHO CCNCc1ccn(Cc2cn(C[C@H](O)C[N@@H+](C)CC)nn2)n1 ZINC000641223887 380866328 /nfs/dbraw/zinc/86/63/28/380866328.db2.gz UHNSZCUCGGCXLF-OAHLLOKOSA-N 1 3 321.429 -0.055 20 0 DBADHO COCCN(C)C[C@H](O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641220214 380867172 /nfs/dbraw/zinc/86/71/72/380867172.db2.gz AUOCXTMIVYUTAR-ZFWWWQNUSA-N 1 3 311.430 -0.241 20 0 DBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000642094845 380986622 /nfs/dbraw/zinc/98/66/22/380986622.db2.gz DVLDORWGQWDGQA-JSGCOSHPSA-N 1 3 306.410 -0.261 20 0 DBADHO COCCN1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626982701 381048364 /nfs/dbraw/zinc/04/83/64/381048364.db2.gz PDMDXTUGZDJKQP-LBPRGKRZSA-N 1 3 300.403 -0.486 20 0 DBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)NCCOCCC[NH3+] ZINC000627215908 381151411 /nfs/dbraw/zinc/15/14/11/381151411.db2.gz LIEAPMWBAQSJRM-CQSZACIVSA-N 1 3 315.462 -0.323 20 0 DBADHO [NH3+]CCCOCCNC(=O)NC[C@H]1CCCCN1CCO ZINC000627220264 381154271 /nfs/dbraw/zinc/15/42/71/381154271.db2.gz PGZVECQPRODSNM-CYBMUJFWSA-N 1 3 302.419 -0.502 20 0 DBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)nn1C ZINC000130560896 381405391 /nfs/dbraw/zinc/40/53/91/381405391.db2.gz WOKIABLJERYBQR-UHFFFAOYSA-N 1 3 324.429 -0.381 20 0 DBADHO C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C(=O)N(C)C ZINC000545916857 381447259 /nfs/dbraw/zinc/44/72/59/381447259.db2.gz ZQJANMMFPVSDGP-LBPRGKRZSA-N 1 3 301.435 -0.402 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000245458552 381563382 /nfs/dbraw/zinc/56/33/82/381563382.db2.gz KNMHLYOQEKVOLX-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000245458552 381563388 /nfs/dbraw/zinc/56/33/88/381563388.db2.gz KNMHLYOQEKVOLX-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000615306227 381618347 /nfs/dbraw/zinc/61/83/47/381618347.db2.gz AGTWRSGIVIUXIC-RDBSUJKOSA-N 1 3 310.442 -0.053 20 0 DBADHO CO[C@H](CN)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000566104450 381638662 /nfs/dbraw/zinc/63/86/62/381638662.db2.gz JJHGPLHAVRERTG-OAHLLOKOSA-N 1 3 322.409 -0.117 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000566509649 381661332 /nfs/dbraw/zinc/66/13/32/381661332.db2.gz WATKZJJCZTZDBA-YNEHKIRRSA-N 1 3 309.414 -0.671 20 0 DBADHO CN(C)C(=O)CCN1CCC(NC(=O)N(C)CCC[NH3+])CC1 ZINC000566512639 381662043 /nfs/dbraw/zinc/66/20/43/381662043.db2.gz NCRCTSUPYSLDCQ-UHFFFAOYSA-N 1 3 313.446 -0.081 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000566512791 381663569 /nfs/dbraw/zinc/66/35/69/381663569.db2.gz PFPIZRNEJGOAIP-RAIGVLPGSA-N 1 3 307.398 -0.824 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000566512791 381663577 /nfs/dbraw/zinc/66/35/77/381663577.db2.gz PFPIZRNEJGOAIP-RAIGVLPGSA-N 1 3 307.398 -0.824 20 0 DBADHO CCN1CCC(NC(=O)CN2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000566918176 381676433 /nfs/dbraw/zinc/67/64/33/381676433.db2.gz PPCHQEBMJKZVIT-INIZCTEOSA-N 1 3 323.485 -0.434 20 0 DBADHO CCCC[C@H](CN)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000569002285 381783860 /nfs/dbraw/zinc/78/38/60/381783860.db2.gz AJHOGMCRGOTHRF-LLVKDONJSA-N 1 3 305.444 -0.213 20 0 DBADHO N[C@@H](CC(F)F)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572760167 381800999 /nfs/dbraw/zinc/80/09/99/381800999.db2.gz JCEVWYSGPFLZAH-JGVFFNPUSA-N 1 3 318.290 -0.079 20 0 DBADHO COCCNC(=O)CN1CCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000573614861 381834359 /nfs/dbraw/zinc/83/43/59/381834359.db2.gz QFEPFRWPTINPQG-OAHLLOKOSA-N 1 3 312.458 -0.244 20 0 DBADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000573246163 381820156 /nfs/dbraw/zinc/82/01/56/381820156.db2.gz XAALCJQSMVGNGW-HUUCEWRRSA-N 1 3 318.421 -0.130 20 0 DBADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000574823426 381880425 /nfs/dbraw/zinc/88/04/25/381880425.db2.gz LCHCXJMYTLFWIZ-MCIONIFRSA-N 1 3 323.441 -0.328 20 0 DBADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000574823426 381880430 /nfs/dbraw/zinc/88/04/30/381880430.db2.gz LCHCXJMYTLFWIZ-MCIONIFRSA-N 1 3 323.441 -0.328 20 0 DBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000574292114 381860125 /nfs/dbraw/zinc/86/01/25/381860125.db2.gz MCOCWBYKSIRICD-RFQIPJPRSA-N 1 3 323.441 -0.187 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000576146857 381913732 /nfs/dbraw/zinc/91/37/32/381913732.db2.gz IFILJKHEPPVULX-XUXIUFHCSA-N 1 3 308.426 -0.265 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCN2C1=O ZINC000580583242 381946364 /nfs/dbraw/zinc/94/63/64/381946364.db2.gz SNMCJZHVCNOVAV-RYMFRWLXSA-N 1 3 321.425 -0.672 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)N1CCN2CCC[C@@H]2C1 ZINC000578347352 382012675 /nfs/dbraw/zinc/01/26/75/382012675.db2.gz AWCYRFLZVKZIHT-MJBXVCDLSA-N 1 3 306.410 -0.497 20 0 DBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CCOC1CNC1 ZINC000578618539 382023383 /nfs/dbraw/zinc/02/33/83/382023383.db2.gz FGXIHDLSYPOQAS-GFCCVEGCSA-N 1 3 312.414 -0.789 20 0 DBADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000578745559 382032704 /nfs/dbraw/zinc/03/27/04/382032704.db2.gz GOUPRBDYSWHGIS-AWEZNQCLSA-N 1 3 308.426 -0.059 20 0 DBADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578878379 382038385 /nfs/dbraw/zinc/03/83/85/382038385.db2.gz PZNVZLKUTMJEEI-XGUBFFRZSA-N 1 3 320.437 -0.251 20 0 DBADHO O=C(N[C@H]1CNCCC1(F)F)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000579956908 382104265 /nfs/dbraw/zinc/10/42/65/382104265.db2.gz WCIFKGMCJAXBQE-ONGXEEELSA-N 1 3 314.340 -0.243 20 0 DBADHO CCN1C[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000579927117 382100809 /nfs/dbraw/zinc/10/08/09/382100809.db2.gz WWGOBBPSJHJFFQ-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO CCO[C@@H]1COC[C@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000581533978 382154756 /nfs/dbraw/zinc/15/47/56/382154756.db2.gz UXMVGQPBPOQVGP-ZIAGYGMSSA-N 1 3 316.446 -0.075 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[N@@H+]1C ZINC000581559942 382157345 /nfs/dbraw/zinc/15/73/45/382157345.db2.gz PZCFOULDWXSILG-NDBYEHHHSA-N 1 3 309.414 -0.578 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[N@H+]1C ZINC000581559942 382157348 /nfs/dbraw/zinc/15/73/48/382157348.db2.gz PZCFOULDWXSILG-NDBYEHHHSA-N 1 3 309.414 -0.578 20 0 DBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627311803 382469971 /nfs/dbraw/zinc/46/99/71/382469971.db2.gz HYQHSBDHVWAWBP-AAVRWANBSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000627323014 382493208 /nfs/dbraw/zinc/49/32/08/382493208.db2.gz KQRKUPHZODDXFO-UONOGXRCSA-N 1 3 308.426 -0.014 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627320661 382489686 /nfs/dbraw/zinc/48/96/86/382489686.db2.gz KHRPGWALEPKGLQ-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622026939 382535340 /nfs/dbraw/zinc/53/53/40/382535340.db2.gz VIFAKJJXVZJBLU-CJNGLKHVSA-N 1 3 308.426 -0.120 20 0 DBADHO C[NH+](C)CCCOc1cnccc1CNc1nc(N)nc(N)n1 ZINC000624227109 382607681 /nfs/dbraw/zinc/60/76/81/382607681.db2.gz HGFCLNUGDWRRBH-UHFFFAOYSA-N 1 3 318.385 -0.544 20 0 DBADHO CC[NH+]1CCC(N2CCCN(c3nc(N)nc(N)n3)CC2)CC1 ZINC000624288814 382609532 /nfs/dbraw/zinc/60/95/32/382609532.db2.gz ZUEVQCZJLDFBRR-UHFFFAOYSA-N 1 3 320.445 -0.307 20 0 DBADHO CCN1CCC([N@@H+]2CCCN(c3nc(N)nc(N)n3)CC2)CC1 ZINC000624288814 382609536 /nfs/dbraw/zinc/60/95/36/382609536.db2.gz ZUEVQCZJLDFBRR-UHFFFAOYSA-N 1 3 320.445 -0.307 20 0 DBADHO CCN1CCC([N@H+]2CCCN(c3nc(N)nc(N)n3)CC2)CC1 ZINC000624288814 382609538 /nfs/dbraw/zinc/60/95/38/382609538.db2.gz ZUEVQCZJLDFBRR-UHFFFAOYSA-N 1 3 320.445 -0.307 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627385028 382620924 /nfs/dbraw/zinc/62/09/24/382620924.db2.gz XALJCMNHDXCGKG-STQMWFEESA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000627498989 382634358 /nfs/dbraw/zinc/63/43/58/382634358.db2.gz URAOYZBPGHFWFG-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000627425416 382624899 /nfs/dbraw/zinc/62/48/99/382624899.db2.gz PAAMWQGSKFMWRP-REWJHTLYSA-N 1 3 308.426 -0.014 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627428623 382625969 /nfs/dbraw/zinc/62/59/69/382625969.db2.gz KNDYGOYSDCZFGP-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627428725 382625999 /nfs/dbraw/zinc/62/59/99/382625999.db2.gz MXDVYDKOFLTWNW-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627428606 382626077 /nfs/dbraw/zinc/62/60/77/382626077.db2.gz JSCHNTCSEXBTHW-LBPRGKRZSA-N 1 3 300.403 -0.932 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445195 382627340 /nfs/dbraw/zinc/62/73/40/382627340.db2.gz GTQQCTPWNYKKKE-CYBMUJFWSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453216 382628334 /nfs/dbraw/zinc/62/83/34/382628334.db2.gz GYJWDPNYMKCWCB-LBPRGKRZSA-N 1 3 312.414 -0.789 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000627460753 382628904 /nfs/dbraw/zinc/62/89/04/382628904.db2.gz UMHPOMLXOVWIPW-HZSPNIEDSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCN(CCCCNS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631736990 382650411 /nfs/dbraw/zinc/65/04/11/382650411.db2.gz DFNYZVVUXKHBAJ-UHFFFAOYSA-N 1 3 320.503 -0.115 20 0 DBADHO C[NH+](C)CCCS(=O)(=O)NC[C@@H](O)CN1CCCCC1 ZINC000632001850 382658542 /nfs/dbraw/zinc/65/85/42/382658542.db2.gz FBKLMAUAXXIBLO-CYBMUJFWSA-N 1 3 307.460 -0.296 20 0 DBADHO CCN1CCN(CCNS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632254696 382665002 /nfs/dbraw/zinc/66/50/02/382665002.db2.gz WFUFOEUDTZFFIH-UHFFFAOYSA-N 1 3 306.476 -0.505 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000633026551 382680071 /nfs/dbraw/zinc/68/00/71/382680071.db2.gz XDSFIGKNXBIEAV-VXGBXAGGSA-N 1 3 322.413 -0.564 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000633087918 382681523 /nfs/dbraw/zinc/68/15/23/382681523.db2.gz BNEJVBCNTWAXJT-TZMCWYRMSA-N 1 3 310.442 -0.160 20 0 DBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000633117152 382683859 /nfs/dbraw/zinc/68/38/59/382683859.db2.gz ZZFZOWGBUDENSJ-STQMWFEESA-N 1 3 317.393 -0.322 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649320062 392034024 /nfs/dbraw/zinc/03/40/24/392034024.db2.gz MQBBDCOPTWZGBG-MCIONIFRSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cn1 ZINC000649340250 392047270 /nfs/dbraw/zinc/04/72/70/392047270.db2.gz LJCZGBMTSKCGNI-RTXFEEFZSA-N 1 3 320.397 -0.750 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000649349823 392049250 /nfs/dbraw/zinc/04/92/50/392049250.db2.gz YMCCVJFWMDTUDV-HNNXBMFYSA-N 1 3 319.409 -0.170 20 0 DBADHO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[C@@H]1[NH3+] ZINC000649359130 392056892 /nfs/dbraw/zinc/05/68/92/392056892.db2.gz OJROTARSZWMXOO-MCIONIFRSA-N 1 3 310.442 -0.018 20 0 DBADHO CCN1CCC(NC(=O)CN(C)CCN2CC[NH2+]CC2)CC1 ZINC000649409663 392065152 /nfs/dbraw/zinc/06/51/52/392065152.db2.gz LKCOKJNRHYZFLW-UHFFFAOYSA-N 1 3 311.474 -0.576 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC(C)(C)O ZINC000554617155 392099492 /nfs/dbraw/zinc/09/94/92/392099492.db2.gz FUTBBBOMGQXBNZ-UHFFFAOYSA-N 1 3 316.446 -0.785 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@H]1CNCCC1(F)F ZINC000647076321 392411783 /nfs/dbraw/zinc/41/17/83/392411783.db2.gz UYQSTTICXIYZEJ-ZJUUUORDSA-N 1 3 304.341 -0.642 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](C)[NH3+] ZINC000647274070 392533325 /nfs/dbraw/zinc/53/33/25/392533325.db2.gz UNJJEOZGRSULPL-SECBINFHSA-N 1 3 303.432 -0.313 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419671250 392478379 /nfs/dbraw/zinc/47/83/79/392478379.db2.gz DOWXNIRGBWWSSH-CHWSQXEVSA-N 1 3 314.430 -0.543 20 0 DBADHO COC(=O)NCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000497150343 392723265 /nfs/dbraw/zinc/72/32/65/392723265.db2.gz KANNYFWLQUZONU-UHFFFAOYSA-N 1 3 303.407 -0.523 20 0 DBADHO NC1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC000367654227 392806603 /nfs/dbraw/zinc/80/66/03/392806603.db2.gz UHSHEOWDUONECT-MRXNPFEDSA-N 1 3 314.433 -0.011 20 0 DBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C1(S(C)(=O)=O)CCNCC1 ZINC000647871161 392907708 /nfs/dbraw/zinc/90/77/08/392907708.db2.gz SGJREGFUXOUWMC-LBPRGKRZSA-N 1 3 319.471 -0.015 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CC[NH+](C)CC1 ZINC000645260540 392923075 /nfs/dbraw/zinc/92/30/75/392923075.db2.gz NVIHUGXENPGUMG-GFCCVEGCSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCCN(C)C1 ZINC000645263007 392926545 /nfs/dbraw/zinc/92/65/45/392926545.db2.gz QRNMLIQZYKIDRR-CHWSQXEVSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@@H](C[NH+](C)C)NC(=O)Nc1cnc(N2CCNCC2)nc1 ZINC000415954442 392998079 /nfs/dbraw/zinc/99/80/79/392998079.db2.gz NVOJQJQFGPGWPB-NSHDSACASA-N 1 3 307.402 -0.042 20 0 DBADHO C[C@@H](CNC(=O)Nc1cnc(N2CCNCC2)nc1)[NH+](C)C ZINC000415952131 392998391 /nfs/dbraw/zinc/99/83/91/392998391.db2.gz KBLBNLKEFNKNPL-NSHDSACASA-N 1 3 307.402 -0.042 20 0 DBADHO CN(C)CC[NH+]1CCC(NC(=O)NCC(F)(F)CN)CC1 ZINC000416978774 393020840 /nfs/dbraw/zinc/02/08/40/393020840.db2.gz RLHUDUJGJCDJTB-UHFFFAOYSA-N 1 3 307.389 -0.094 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417440002 393045165 /nfs/dbraw/zinc/04/51/65/393045165.db2.gz NHSRNGXRGMJJAM-AWEZNQCLSA-N 1 3 302.419 -0.368 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC(C)(C)C[NH3+] ZINC000417435769 393045299 /nfs/dbraw/zinc/04/52/99/393045299.db2.gz ZFJQSTXFESABTO-GFCCVEGCSA-N 1 3 313.446 -0.034 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417570845 393060862 /nfs/dbraw/zinc/06/08/62/393060862.db2.gz SGTQZSDBJJBLNQ-KGLIPLIRSA-N 1 3 314.430 -0.225 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000417699753 393065157 /nfs/dbraw/zinc/06/51/57/393065157.db2.gz GAOYIZPATXZBMQ-UKRRQHHQSA-N 1 3 314.430 -0.225 20 0 DBADHO COC(=O)[C@](C)(O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000343685419 393075532 /nfs/dbraw/zinc/07/55/32/393075532.db2.gz HULSEFWICVTEGW-OAHLLOKOSA-N 1 3 301.431 -0.132 20 0 DBADHO COC(=O)[C@](C)(O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000343685419 393075539 /nfs/dbraw/zinc/07/55/39/393075539.db2.gz HULSEFWICVTEGW-OAHLLOKOSA-N 1 3 301.431 -0.132 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417839097 393195186 /nfs/dbraw/zinc/19/51/86/393195186.db2.gz RHRKSCXXNANUDX-LZWOXQAQSA-N 1 3 318.421 -0.042 20 0 DBADHO CN(C)[C@@]1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCSC1 ZINC000351573993 393287168 /nfs/dbraw/zinc/28/71/68/393287168.db2.gz UMIQPGHVTNYYKV-SMDDNHRTSA-N 1 3 314.455 -0.592 20 0 DBADHO COCCN1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351568893 393287448 /nfs/dbraw/zinc/28/74/48/393287448.db2.gz MQDUKMGJAXSONT-ZDUSSCGKSA-N 1 3 312.414 -0.918 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000332100248 393326947 /nfs/dbraw/zinc/32/69/47/393326947.db2.gz DUDKMVVIHZMSCQ-KFWWJZLASA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332606940 393330210 /nfs/dbraw/zinc/33/02/10/393330210.db2.gz DYTGQIAEOOJCNO-IHRRRGAJSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)CC[NH2+]1 ZINC000332590828 393330534 /nfs/dbraw/zinc/33/05/34/393330534.db2.gz LTVXLFCZEHZFPS-XJFOESAGSA-N 1 3 308.426 -0.062 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)Nc1cnc2c(c1)CNCC2 ZINC000648106661 393424674 /nfs/dbraw/zinc/42/46/74/393424674.db2.gz KCUHCLOXUWLEGO-CQSZACIVSA-N 1 3 317.393 -0.076 20 0 DBADHO COC[C@]1(CNC(=O)NCCOCCN(C)C)CCC[NH2+]1 ZINC000418063236 393425876 /nfs/dbraw/zinc/42/58/76/393425876.db2.gz GNMOTWLSTCPVLK-CQSZACIVSA-N 1 3 302.419 -0.368 20 0 DBADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000418857319 393517959 /nfs/dbraw/zinc/51/79/59/393517959.db2.gz YUJKXWSYYLXMAW-CABCVRRESA-N 1 3 318.421 -0.165 20 0 DBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418881881 393525528 /nfs/dbraw/zinc/52/55/28/393525528.db2.gz YCLAHYWKZHJJIB-LSDHHAIUSA-N 1 3 318.421 -0.246 20 0 DBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418881877 393526085 /nfs/dbraw/zinc/52/60/85/393526085.db2.gz YCLAHYWKZHJJIB-GJZGRUSLSA-N 1 3 318.421 -0.246 20 0 DBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419022250 393534279 /nfs/dbraw/zinc/53/42/79/393534279.db2.gz HYQHSBDHVWAWBP-RQJABVFESA-N 1 3 310.442 -0.053 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000419290040 393564164 /nfs/dbraw/zinc/56/41/64/393564164.db2.gz UYXXTSVIRZRIFW-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419406843 393573648 /nfs/dbraw/zinc/57/36/48/393573648.db2.gz JJKUPCGWQSKUOK-CQSZACIVSA-N 1 3 310.442 -0.050 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000419416600 393574492 /nfs/dbraw/zinc/57/44/92/393574492.db2.gz WLPARDDBRNOMFG-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419411979 393575082 /nfs/dbraw/zinc/57/50/82/393575082.db2.gz CEXCTBMMQJPKQP-OLZOCXBDSA-N 1 3 312.414 -0.918 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000419418246 393575200 /nfs/dbraw/zinc/57/52/00/393575200.db2.gz YAUVFFZGSYYXHZ-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CC[NH3+])C(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419432628 393576280 /nfs/dbraw/zinc/57/62/80/393576280.db2.gz YIULRYOYYTWRGO-UHFFFAOYSA-N 1 3 318.421 -0.032 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419455974 393581540 /nfs/dbraw/zinc/58/15/40/393581540.db2.gz YMHORXPKVFQCKV-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423701933 393613178 /nfs/dbraw/zinc/61/31/78/393613178.db2.gz XKZMMCJZSYBAKF-OLZOCXBDSA-N 1 3 308.426 -0.108 20 0 DBADHO COCCN(C)CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424133296 393629153 /nfs/dbraw/zinc/62/91/53/393629153.db2.gz LQKHYVJBJWRDBL-ZDUSSCGKSA-N 1 3 324.429 -0.099 20 0 DBADHO O=C(N[C@@H]1CNCCC1(F)F)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424199641 393633134 /nfs/dbraw/zinc/63/31/34/393633134.db2.gz ZDUCUKRJMNVUSB-GXSJLCMTSA-N 1 3 314.340 -0.070 20 0 DBADHO O=C(N[C@H]1CNCCC1(F)F)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424199648 393633216 /nfs/dbraw/zinc/63/32/16/393633216.db2.gz ZDUCUKRJMNVUSB-KOLCDFICSA-N 1 3 314.340 -0.070 20 0 DBADHO CN1CCC(O)(CNC(=O)NCCOCC[NH+](C)C)CC1 ZINC000471667202 393744927 /nfs/dbraw/zinc/74/49/27/393744927.db2.gz ZHHXWAJEYNHWGW-UHFFFAOYSA-N 1 3 302.419 -0.680 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC(C)(C)[NH3+])cn1 ZINC000646075451 393748393 /nfs/dbraw/zinc/74/83/93/393748393.db2.gz UELZRKVHZXUOMW-UHFFFAOYSA-N 1 3 310.402 -0.373 20 0 DBADHO CN(C)CCn1cc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cn1 ZINC000645803346 393711214 /nfs/dbraw/zinc/71/12/14/393711214.db2.gz RZKWTHIHXVWJEK-ZDUSSCGKSA-N 1 3 322.413 -0.359 20 0 DBADHO CC1(C)C[NH2+][C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000645929166 393729405 /nfs/dbraw/zinc/72/94/05/393729405.db2.gz XUIWBVXAMVGBSE-CQSZACIVSA-N 1 3 308.426 -0.249 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645930181 393730157 /nfs/dbraw/zinc/73/01/57/393730157.db2.gz RQOXHOBEFCIZLZ-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CCOCCCN1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC000187009933 286058508 /nfs/dbraw/zinc/05/85/08/286058508.db2.gz UQGSYOKBOVYMRW-VXGBXAGGSA-N 1 3 300.403 -0.092 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1N(C)C ZINC000332253012 296780302 /nfs/dbraw/zinc/78/03/02/296780302.db2.gz SVNMYZHPYZMGNG-YIYPIFLZSA-N 1 3 308.426 -0.537 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@H]1N(C)C ZINC000332240528 296780381 /nfs/dbraw/zinc/78/03/81/296780381.db2.gz QFPZOUKSPUNTLC-YIYPIFLZSA-N 1 3 308.426 -0.395 20 0 DBADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H]2CNCCO2)CC1 ZINC000262009571 287085606 /nfs/dbraw/zinc/08/56/06/287085606.db2.gz SVUOGIHJIUSNHD-HIFRSBDPSA-N 1 3 313.442 -0.084 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124978 411647501 /nfs/dbraw/zinc/64/75/01/411647501.db2.gz OCGUMPPOKXZJOL-DZKIICNBSA-N 1 3 310.442 -0.635 20 0 DBADHO CN(CCC[NH3+])C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000662923306 411657431 /nfs/dbraw/zinc/65/74/31/411657431.db2.gz TWUKZLJUMDQCNM-UHFFFAOYSA-N 1 3 305.382 -0.463 20 0 DBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652621588 411807141 /nfs/dbraw/zinc/80/71/41/411807141.db2.gz OVUUBBSZXGFFBU-LBPRGKRZSA-N 1 3 310.402 -0.517 20 0 DBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622813 411808507 /nfs/dbraw/zinc/80/85/07/411808507.db2.gz UNBRGDCGVSQXCL-WCQYABFASA-N 1 3 322.413 -0.503 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000659524235 411830185 /nfs/dbraw/zinc/83/01/85/411830185.db2.gz SLLXGKSEQMXPMI-MWLCHTKSSA-N 1 3 308.386 -0.042 20 0 DBADHO CC[NH2+][C@H](C)CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659540340 411834068 /nfs/dbraw/zinc/83/40/68/411834068.db2.gz VXGMTHBHWZUEII-GFCCVEGCSA-N 1 3 301.435 -0.354 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659647850 411857548 /nfs/dbraw/zinc/85/75/48/411857548.db2.gz XUIFXHDFLIYLSI-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO [NH3+]CCn1cc(C(=O)Nc2ccc3c(c2)CNCCO3)nn1 ZINC000659312691 411894500 /nfs/dbraw/zinc/89/45/00/411894500.db2.gz IHZFIXYKCNZAEM-UHFFFAOYSA-N 1 3 302.338 -0.029 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000659318636 411894768 /nfs/dbraw/zinc/89/47/68/411894768.db2.gz TWUUFUXDCIQBNP-CYBMUJFWSA-N 1 3 314.430 -0.815 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CCO1 ZINC000659318640 411895908 /nfs/dbraw/zinc/89/59/08/411895908.db2.gz TWUUFUXDCIQBNP-ZDUSSCGKSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000658523919 411901907 /nfs/dbraw/zinc/90/19/07/411901907.db2.gz LIBXJWLHGROIMR-AWEZNQCLSA-N 1 3 308.426 -0.297 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000653542456 411877606 /nfs/dbraw/zinc/87/76/06/411877606.db2.gz RABUKXMFFXZJKP-ARFHVFGLSA-N 1 3 315.458 -0.544 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000653542456 411877610 /nfs/dbraw/zinc/87/76/10/411877610.db2.gz RABUKXMFFXZJKP-ARFHVFGLSA-N 1 3 315.458 -0.544 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656022023 411988146 /nfs/dbraw/zinc/98/81/46/411988146.db2.gz RYGDXSGWPXOSQL-UONOGXRCSA-N 1 3 308.426 -0.012 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656025110 411988597 /nfs/dbraw/zinc/98/85/97/411988597.db2.gz YJUSZDRYSBDQAQ-RDBSUJKOSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(NC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656019261 411989218 /nfs/dbraw/zinc/98/92/18/411989218.db2.gz DGVRAYWGNNLJLE-ZIAGYGMSSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656019570 411989282 /nfs/dbraw/zinc/98/92/82/411989282.db2.gz GJTCRZPGCUMNCY-MCIONIFRSA-N 1 3 308.426 -0.012 20 0 DBADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656029028 411990238 /nfs/dbraw/zinc/99/02/38/411990238.db2.gz UISVVHXZURTFKY-MELADBBJSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656029029 411990338 /nfs/dbraw/zinc/99/03/38/411990338.db2.gz UISVVHXZURTFKY-MJBXVCDLSA-N 1 3 308.426 -0.073 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CCC[NH2+]CC1 ZINC000656028885 411990544 /nfs/dbraw/zinc/99/05/44/411990544.db2.gz SVIHYACARWXQFD-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656086295 411994079 /nfs/dbraw/zinc/99/40/79/411994079.db2.gz VOQZMOKSVNFXOY-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCC(=O)N1 ZINC000656289650 412000179 /nfs/dbraw/zinc/00/01/79/412000179.db2.gz HANSBSIXKAXGED-HNNXBMFYSA-N 1 3 313.446 -0.210 20 0 DBADHO Cc1cnn(C)c1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000657839486 412044071 /nfs/dbraw/zinc/04/40/71/412044071.db2.gz WNTJWXNKSSVSPQ-UHFFFAOYSA-N 1 3 324.429 -0.381 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C1 ZINC000658747732 412067572 /nfs/dbraw/zinc/06/75/72/412067572.db2.gz QAMFUPXIAYBKJQ-AWEZNQCLSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C1 ZINC000658747732 412067574 /nfs/dbraw/zinc/06/75/74/412067574.db2.gz QAMFUPXIAYBKJQ-AWEZNQCLSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)[N@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C1 ZINC000658747732 412067577 /nfs/dbraw/zinc/06/75/77/412067577.db2.gz QAMFUPXIAYBKJQ-AWEZNQCLSA-N 1 3 310.442 -0.053 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000659540015 412092457 /nfs/dbraw/zinc/09/24/57/412092457.db2.gz ZKKASDBNQZKLKA-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000659674531 412101686 /nfs/dbraw/zinc/10/16/86/412101686.db2.gz MNWQQJFSMKVHOA-ZFWWWQNUSA-N 1 3 320.437 0.000 20 0 DBADHO C[N@H+](CCCCNC(=O)C(=O)N1CC2CC1(CN)C2)C1CC1 ZINC000659680099 412103534 /nfs/dbraw/zinc/10/35/34/412103534.db2.gz UDTYBVCWFXQYOG-UHFFFAOYSA-N 1 3 308.426 -0.073 20 0 DBADHO C[N@@H+](CCCCNC(=O)C(=O)N1CC2CC1(CN)C2)C1CC1 ZINC000659680099 412103539 /nfs/dbraw/zinc/10/35/39/412103539.db2.gz UDTYBVCWFXQYOG-UHFFFAOYSA-N 1 3 308.426 -0.073 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000659701676 412106795 /nfs/dbraw/zinc/10/67/95/412106795.db2.gz HCEVJDGTLOSCHT-UHFFFAOYSA-N 1 3 320.437 -0.073 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659701956 412110399 /nfs/dbraw/zinc/11/03/99/412110399.db2.gz LFEVBYLGXPSJII-MFOWVQHXSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000659731177 412116021 /nfs/dbraw/zinc/11/60/21/412116021.db2.gz FWGUIAPWSYFWRM-LBPRGKRZSA-N 1 3 303.366 -0.792 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000659738140 412117459 /nfs/dbraw/zinc/11/74/59/412117459.db2.gz AJUYEHXMCKSDBU-CZUORRHYSA-N 1 3 308.426 -0.201 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659731980 412117625 /nfs/dbraw/zinc/11/76/25/412117625.db2.gz CBZPSWJALMMRMW-UHFFFAOYSA-N 1 3 314.430 -0.589 20 0 DBADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1C ZINC000659744383 412120945 /nfs/dbraw/zinc/12/09/45/412120945.db2.gz UIRDOMOVGIZKMC-AJAZOQAWSA-N 1 3 308.426 -0.204 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000659751026 412122961 /nfs/dbraw/zinc/12/29/61/412122961.db2.gz RQVOSHDJHHYTEA-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000659751022 412123319 /nfs/dbraw/zinc/12/33/19/412123319.db2.gz RQVOSHDJHHYTEA-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO OCC1([NH2+]CCc2nnnn2-c2ccccc2)CCNCC1 ZINC000662287247 412175893 /nfs/dbraw/zinc/17/58/93/412175893.db2.gz WPWIDQKTYIPCAO-UHFFFAOYSA-N 1 3 302.382 -0.091 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C2(NC3CC3)CCC2)C1 ZINC000662405215 412181617 /nfs/dbraw/zinc/18/16/17/412181617.db2.gz MBVCOPMHTSKDLS-GFCCVEGCSA-N 1 3 308.426 -0.025 20 0 DBADHO [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000662407680 412182179 /nfs/dbraw/zinc/18/21/79/412182179.db2.gz HQLWJDFVQFMURR-QWHCGFSZSA-N 1 3 305.382 -0.207 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662528134 412187636 /nfs/dbraw/zinc/18/76/36/412187636.db2.gz VTLDNTUHXFXECC-LBPRGKRZSA-N 1 3 310.402 -0.580 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000662836600 412205384 /nfs/dbraw/zinc/20/53/84/412205384.db2.gz BKWGJPZODSDPJY-IHRRRGAJSA-N 1 3 308.426 -0.012 20 0 DBADHO Cc1c(CN)c(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)nn1C ZINC000662837316 412205444 /nfs/dbraw/zinc/20/54/44/412205444.db2.gz NZLXHQWFPCWHSB-LLVKDONJSA-N 1 3 322.413 -0.464 20 0 DBADHO CN(C(=O)[C@@H]1CNCCO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900662 412208629 /nfs/dbraw/zinc/20/86/29/412208629.db2.gz NOEZNRYEQVQJMR-CABCVRRESA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C(=O)[C@@H]1CNCCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900662 412208633 /nfs/dbraw/zinc/20/86/33/412208633.db2.gz NOEZNRYEQVQJMR-CABCVRRESA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C(=O)[C@@H]1CNCCO1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900662 412208637 /nfs/dbraw/zinc/20/86/37/412208637.db2.gz NOEZNRYEQVQJMR-CABCVRRESA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C)CCN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662929436 412212164 /nfs/dbraw/zinc/21/21/64/412212164.db2.gz ANZYCVCXZXIDGI-UHFFFAOYSA-N 1 3 315.462 -0.866 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662930082 412214110 /nfs/dbraw/zinc/21/41/10/412214110.db2.gz MHFQLOAVDHTJJI-CYBMUJFWSA-N 1 3 314.430 -0.637 20 0 DBADHO COCCN(C)C[C@@H](O)CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662151520 412171993 /nfs/dbraw/zinc/17/19/93/412171993.db2.gz IUDQPOXXUDVCCW-HZPDHXFCSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@@H](O)CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662151520 412171996 /nfs/dbraw/zinc/17/19/96/412171996.db2.gz IUDQPOXXUDVCCW-HZPDHXFCSA-N 1 3 315.458 -0.544 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CNC(=O)C1 ZINC000665127887 412271171 /nfs/dbraw/zinc/27/11/71/412271171.db2.gz CYUSWLHAPUBOJN-STQMWFEESA-N 1 3 313.446 -0.306 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CNC(=O)C1 ZINC000665127887 412271175 /nfs/dbraw/zinc/27/11/75/412271175.db2.gz CYUSWLHAPUBOJN-STQMWFEESA-N 1 3 313.446 -0.306 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000665224033 412289056 /nfs/dbraw/zinc/28/90/56/412289056.db2.gz FISMEATVLKXUJE-RWMBFGLXSA-N 1 3 313.446 -0.179 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@@H](C(N)=O)C1 ZINC000665224033 412289059 /nfs/dbraw/zinc/28/90/59/412289059.db2.gz FISMEATVLKXUJE-RWMBFGLXSA-N 1 3 313.446 -0.179 20 0 DBADHO CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662945827 412217306 /nfs/dbraw/zinc/21/73/06/412217306.db2.gz JGMGKFIYUKWGIF-MFOWVQHXSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H](CN)N(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662951749 412219733 /nfs/dbraw/zinc/21/97/33/412219733.db2.gz CEXJCRJFPYRLIS-QWHCGFSZSA-N 1 3 314.430 -0.639 20 0 DBADHO COCCN1CC[C@@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000438696772 412396645 /nfs/dbraw/zinc/39/66/45/412396645.db2.gz JHRPFCOFSOXKOG-CYBMUJFWSA-N 1 3 324.429 0.287 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@]1(O)CCOC1 ZINC000665760352 418939331 /nfs/dbraw/zinc/93/93/31/418939331.db2.gz GVICENMWGURUTQ-DZGCQCFKSA-N 1 3 316.446 -0.291 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@]1(O)CCOC1 ZINC000665760352 418939332 /nfs/dbraw/zinc/93/93/32/418939332.db2.gz GVICENMWGURUTQ-DZGCQCFKSA-N 1 3 316.446 -0.291 20 0 DBADHO CNC(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665762605 418941675 /nfs/dbraw/zinc/94/16/75/418941675.db2.gz JZBLPKLDSPHLRN-RYUDHWBXSA-N 1 3 301.435 -0.308 20 0 DBADHO CNC(=O)[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665762605 418941678 /nfs/dbraw/zinc/94/16/78/418941678.db2.gz JZBLPKLDSPHLRN-RYUDHWBXSA-N 1 3 301.435 -0.308 20 0 DBADHO CO[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000668302383 544424628 /nfs/dbraw/zinc/42/46/28/544424628.db2.gz GBZQXTHJQJWLLL-KBPBESRZSA-N 1 3 301.431 -0.010 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1nnn(C(C)(C)C)n1 ZINC000668302391 544425238 /nfs/dbraw/zinc/42/52/38/544425238.db2.gz GFUKIJIWFCUCDZ-UHFFFAOYSA-N 1 3 311.434 -0.007 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000665760861 544443782 /nfs/dbraw/zinc/44/37/82/544443782.db2.gz QLKNXHCVCHCDHG-MJBXVCDLSA-N 1 3 316.446 -0.605 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)C[C@@H]1CO ZINC000665760861 544443785 /nfs/dbraw/zinc/44/37/85/544443785.db2.gz QLKNXHCVCHCDHG-MJBXVCDLSA-N 1 3 316.446 -0.605 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000073476662 544468683 /nfs/dbraw/zinc/46/86/83/544468683.db2.gz UBTJLKSIDCTFCK-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000073476662 544468689 /nfs/dbraw/zinc/46/86/89/544468689.db2.gz UBTJLKSIDCTFCK-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000671122973 544594419 /nfs/dbraw/zinc/59/44/19/544594419.db2.gz WTDSOZJBHOTECZ-DZGCQCFKSA-N 1 3 320.437 -0.107 20 0 DBADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000671122973 544594424 /nfs/dbraw/zinc/59/44/24/544594424.db2.gz WTDSOZJBHOTECZ-DZGCQCFKSA-N 1 3 320.437 -0.107 20 0 DBADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000671122974 544594476 /nfs/dbraw/zinc/59/44/76/544594476.db2.gz WTDSOZJBHOTECZ-HIFRSBDPSA-N 1 3 320.437 -0.107 20 0 DBADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000671122974 544594479 /nfs/dbraw/zinc/59/44/79/544594479.db2.gz WTDSOZJBHOTECZ-HIFRSBDPSA-N 1 3 320.437 -0.107 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cn1 ZINC000682124785 544637640 /nfs/dbraw/zinc/63/76/40/544637640.db2.gz LKPULJJHAPSTJF-UHFFFAOYSA-N 1 3 324.429 -0.207 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000681791159 544711744 /nfs/dbraw/zinc/71/17/44/544711744.db2.gz XDJKTRBXUOBDIG-BFHYXJOUSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1C[C@@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)NC1=O ZINC000667641706 544746325 /nfs/dbraw/zinc/74/63/25/544746325.db2.gz ALDSWJGHXOTRCI-AWEZNQCLSA-N 1 3 323.441 -0.315 20 0 DBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000676093330 544857045 /nfs/dbraw/zinc/85/70/45/544857045.db2.gz VAMSIXBAUMVDJP-GFCCVEGCSA-N 1 3 324.429 -0.160 20 0 DBADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000677885823 544899797 /nfs/dbraw/zinc/89/97/97/544899797.db2.gz HNFFUTRDTWBIPW-HZPDHXFCSA-N 1 3 324.469 -0.415 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CN1C1CC1 ZINC000685277795 545028867 /nfs/dbraw/zinc/02/88/67/545028867.db2.gz BPRUMUFNQUVLPM-DYEKYZERSA-N 1 3 308.426 -0.110 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000685307963 545029232 /nfs/dbraw/zinc/02/92/32/545029232.db2.gz ZTOUCSVJHZGQKV-YUELXQCFSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000685307963 545029233 /nfs/dbraw/zinc/02/92/33/545029233.db2.gz ZTOUCSVJHZGQKV-YUELXQCFSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426313 265745113 /nfs/dbraw/zinc/74/51/13/265745113.db2.gz GDAAVYYRBIXYFU-CHWSQXEVSA-N 1 3 313.446 -0.177 20 0 DBADHO C[NH2+]CCCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417418891 265745978 /nfs/dbraw/zinc/74/59/78/265745978.db2.gz BZWSFHJCXLGOHG-ZDUSSCGKSA-N 1 3 313.446 -0.162 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)NCCC[NH2+]C3CC3)C[C@H]2N)cn1 ZINC000424478332 265936327 /nfs/dbraw/zinc/93/63/27/265936327.db2.gz NDXKDUOFERKBDG-UONOGXRCSA-N 1 3 306.414 -0.002 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[NH2+]C2)cn1 ZINC000430787744 266013091 /nfs/dbraw/zinc/01/30/91/266013091.db2.gz IRVIKMGRKXBNJA-NSHDSACASA-N 1 3 308.386 -0.891 20 0 DBADHO COCCCN(C)CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433398831 266041617 /nfs/dbraw/zinc/04/16/17/266041617.db2.gz GSXQWCOXHGBIHP-CYBMUJFWSA-N 1 3 324.429 -0.099 20 0 DBADHO CCN1CCN(CCC(=O)NCCN2CCCOCC2)CC1 ZINC000438689185 266082208 /nfs/dbraw/zinc/08/22/08/266082208.db2.gz UTNVGIZLPKKJPP-UHFFFAOYSA-N 1 3 312.458 -0.148 20 0 DBADHO CC[NH+]1CCN(CCC(=O)NCCN2CCCOCC2)CC1 ZINC000438689185 266082211 /nfs/dbraw/zinc/08/22/11/266082211.db2.gz UTNVGIZLPKKJPP-UHFFFAOYSA-N 1 3 312.458 -0.148 20 0 DBADHO CN(C)C/C=C/C(=O)NC1(CNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000493129112 266170696 /nfs/dbraw/zinc/17/06/96/266170696.db2.gz LUMHZHIJJUURHT-KQQUZDAGSA-N 1 3 308.426 -0.013 20 0 DBADHO CN(C)C/C=C/C(=O)NCC1(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000493129112 266170698 /nfs/dbraw/zinc/17/06/98/266170698.db2.gz LUMHZHIJJUURHT-KQQUZDAGSA-N 1 3 308.426 -0.013 20 0 DBADHO C[C@H]1CN(CCCNC(=O)C(=O)N(C)CCC[NH3+])CCCO1 ZINC000515869433 266276509 /nfs/dbraw/zinc/27/65/09/266276509.db2.gz ATTOIPNTWMRQCZ-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO CC1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC[NH2+]CC1 ZINC000516981516 266288592 /nfs/dbraw/zinc/28/85/92/266288592.db2.gz JSCQBFUVISOOJH-VXGBXAGGSA-N 1 3 309.414 -0.671 20 0 DBADHO CC1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC[NH2+]CC1 ZINC000516981515 266288604 /nfs/dbraw/zinc/28/86/04/266288604.db2.gz JSCQBFUVISOOJH-RYUDHWBXSA-N 1 3 309.414 -0.671 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000517123450 266289496 /nfs/dbraw/zinc/28/94/96/266289496.db2.gz LUJMEJMVXSWCHR-KBUPBQIOSA-N 1 3 320.437 -0.251 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000517123449 266289928 /nfs/dbraw/zinc/28/99/28/266289928.db2.gz LUJMEJMVXSWCHR-CBBWQLFWSA-N 1 3 320.437 -0.251 20 0 DBADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2OCCN[C@@H]2C1 ZINC000517750200 266296335 /nfs/dbraw/zinc/29/63/35/266296335.db2.gz YNRSJBBWYSVUAN-VVLHAWIVSA-N 1 3 305.422 -0.020 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC(CC[NH3+])CC2)CC1=O ZINC000519605806 266311483 /nfs/dbraw/zinc/31/14/83/266311483.db2.gz BMHZHBLVCVUEFO-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO COCCCN(C)CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000520203933 266315977 /nfs/dbraw/zinc/31/59/77/266315977.db2.gz SQCBRAXSWSPSQH-CYBMUJFWSA-N 1 3 301.435 -0.761 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CCOC2)nn1 ZINC000520475652 266320490 /nfs/dbraw/zinc/32/04/90/266320490.db2.gz MGALHXFMSBIXMO-CYBMUJFWSA-N 1 3 324.429 -0.195 20 0 DBADHO CCn1nccc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525882639 266348795 /nfs/dbraw/zinc/34/87/95/266348795.db2.gz ZMIQNVMKZKXXMF-UHFFFAOYSA-N 1 3 324.429 -0.207 20 0 DBADHO C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2COCCN2)CC1 ZINC000529285964 266385508 /nfs/dbraw/zinc/38/55/08/266385508.db2.gz HTOFZWKYZTYKDG-CQSZACIVSA-N 1 3 313.446 -0.700 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CCN2C1=O ZINC000529349402 266387068 /nfs/dbraw/zinc/38/70/68/266387068.db2.gz KSJLKXAPYUUYOU-QJPTWQEYSA-N 1 3 307.398 -0.776 20 0 DBADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447445246 279358680 /nfs/dbraw/zinc/35/86/80/279358680.db2.gz AADWHNDDLDSYBB-UONOGXRCSA-N 1 3 300.447 -0.260 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000360271354 289166571 /nfs/dbraw/zinc/16/65/71/289166571.db2.gz IKHDVQYYTXGWCP-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2CNCCO2)CC1 ZINC000262009567 290083498 /nfs/dbraw/zinc/08/34/98/290083498.db2.gz SVUOGIHJIUSNHD-DZGCQCFKSA-N 1 3 313.442 -0.084 20 0 DBADHO CS(=O)(=O)C1(C(=O)N[C@@H](CN)C2CCCC2)CC[NH2+]CC1 ZINC000566071450 331952626 /nfs/dbraw/zinc/95/26/26/331952626.db2.gz NTCKMNWGNZZENP-LBPRGKRZSA-N 1 3 317.455 -0.213 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H]1N(C)C ZINC000569473969 332099532 /nfs/dbraw/zinc/09/95/32/332099532.db2.gz DARUAXPZRPJWKS-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000569572550 332142526 /nfs/dbraw/zinc/14/25/26/332142526.db2.gz BYSOQCGNPUTVLN-JKSUJKDBSA-N 1 3 324.469 -0.008 20 0 DBADHO CCO[C@H]1C[C@](N)(C(=O)NCCCN2CC[NH2+]CC2)C1(C)C ZINC000187167394 332960024 /nfs/dbraw/zinc/96/00/24/332960024.db2.gz JBGQNDLGMIBVIJ-BBRMVZONSA-N 1 3 312.458 -0.070 20 0 DBADHO O=C(CNC1CC1)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000571042900 333488612 /nfs/dbraw/zinc/48/86/12/333488612.db2.gz UGVRCENBMZXHJO-GXTWGEPZSA-N 1 3 308.426 -0.155 20 0 DBADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000582253143 336395352 /nfs/dbraw/zinc/39/53/52/336395352.db2.gz KFYVGZMEIFIEAP-LBPRGKRZSA-N 1 3 312.414 -0.966 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000583078829 337236418 /nfs/dbraw/zinc/23/64/18/337236418.db2.gz OWPMZBHUYDMBKE-KHMAMNHCSA-N 1 3 320.437 -0.123 20 0 DBADHO O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CN2CCN1CCC2 ZINC000583218118 337275558 /nfs/dbraw/zinc/27/55/58/337275558.db2.gz FKQVVMVFPYYBOS-OAHLLOKOSA-N 1 3 310.442 -0.661 20 0 DBADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000583274653 337300120 /nfs/dbraw/zinc/30/01/20/337300120.db2.gz JUUPSHVIEOSELX-RWMBFGLXSA-N 1 3 323.441 -0.282 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000584460064 337344071 /nfs/dbraw/zinc/34/40/71/337344071.db2.gz XHZSTOCOZAZYCY-HZSPNIEDSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cn1 ZINC000584617580 337373117 /nfs/dbraw/zinc/37/31/17/337373117.db2.gz YMNBWITXZHMTOO-PHIMTYICSA-N 1 3 308.386 -0.763 20 0 DBADHO C[C@]1(CNC(=O)C2(S(C)(=O)=O)CCNCC2)CCC[NH2+]C1 ZINC000567907950 341640172 /nfs/dbraw/zinc/64/01/72/341640172.db2.gz JPXQXUBXMYSGOW-ZDUSSCGKSA-N 1 3 317.455 -0.341 20 0 DBADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC1 ZINC000576600075 341854614 /nfs/dbraw/zinc/85/46/14/341854614.db2.gz TZRJUAOQKRIGAU-VXGBXAGGSA-N 1 3 309.414 -0.576 20 0 DBADHO CS(=O)(=O)C1(C(=O)NCC2([NH3+])CCCCC2)CCNCC1 ZINC000577752621 341934505 /nfs/dbraw/zinc/93/45/05/341934505.db2.gz HXRFMQYSESLFFA-UHFFFAOYSA-N 1 3 317.455 -0.069 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418499496 533760911 /nfs/dbraw/zinc/76/09/11/533760911.db2.gz YCLNPQOFFYZEPJ-ZDUSSCGKSA-N 1 3 311.430 -0.469 20 0 DBADHO C[C@@H](CNC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])N(C)C ZINC000418250960 533918500 /nfs/dbraw/zinc/91/85/00/533918500.db2.gz HRNHLNZKHNEUSW-QWHCGFSZSA-N 1 3 313.446 -0.034 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC000158791698 521772843 /nfs/dbraw/zinc/77/28/43/521772843.db2.gz CUBAKBSFGMUNGV-XJKSGUPXSA-N 1 3 308.426 -0.392 20 0 DBADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000237188039 521805186 /nfs/dbraw/zinc/80/51/86/521805186.db2.gz SQRGMVHHLXTTQY-ZIAGYGMSSA-N 1 3 307.394 -0.034 20 0 DBADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@H](O)C[NH+](C)C)c1 ZINC000097362553 521924577 /nfs/dbraw/zinc/92/45/77/521924577.db2.gz WFUYSFQFJKNZOJ-AWEZNQCLSA-N 1 3 322.409 -0.275 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000332208134 522032330 /nfs/dbraw/zinc/03/23/30/522032330.db2.gz VDDCPZLVKPOVTM-MELADBBJSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000331767031 522050560 /nfs/dbraw/zinc/05/05/60/522050560.db2.gz GUXBCFJIXAIDJW-SOUVJXGZSA-N 1 3 322.453 -0.003 20 0 DBADHO [NH3+]C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000418399500 534665272 /nfs/dbraw/zinc/66/52/72/534665272.db2.gz LHCYXNFEQOAEIG-CQSZACIVSA-N 1 3 323.441 -0.327 20 0 DBADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000347076806 523871986 /nfs/dbraw/zinc/87/19/86/523871986.db2.gz VVBLBFOJOBMBTP-KBPBESRZSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN1CC[C@H](NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000347076806 523871990 /nfs/dbraw/zinc/87/19/90/523871990.db2.gz VVBLBFOJOBMBTP-KBPBESRZSA-N 1 3 314.430 -0.273 20 0 DBADHO C[C@H]1CCN(C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346141939 524279488 /nfs/dbraw/zinc/27/94/88/524279488.db2.gz VUXKXZPJVCLYCD-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332606946 524842845 /nfs/dbraw/zinc/84/28/45/524842845.db2.gz DYTGQIAEOOJCNO-MJBXVCDLSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000333592459 525008660 /nfs/dbraw/zinc/00/86/60/525008660.db2.gz PGJLNIGWEKDEHW-CABNGKKXSA-N 1 3 306.414 -0.003 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000332121941 525086627 /nfs/dbraw/zinc/08/66/27/525086627.db2.gz ZCIXEBXFDAIVOA-RDBSUJKOSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC[N@@H+]1C ZINC000332626702 525250464 /nfs/dbraw/zinc/25/04/64/525250464.db2.gz VQTGIDOOBFIMPO-HZSPNIEDSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC[N@H+]1C ZINC000332626702 525250469 /nfs/dbraw/zinc/25/04/69/525250469.db2.gz VQTGIDOOBFIMPO-HZSPNIEDSA-N 1 3 308.426 -0.108 20 0 DBADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1[nH]nc2c1CNCC2 ZINC000364219306 526623497 /nfs/dbraw/zinc/62/34/97/526623497.db2.gz VUZQICQYOZKIFU-QWRGUYRKSA-N 1 3 305.382 -0.352 20 0 DBADHO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1[nH]nc2c1CNCC2 ZINC000364219306 526623502 /nfs/dbraw/zinc/62/35/02/526623502.db2.gz VUZQICQYOZKIFU-QWRGUYRKSA-N 1 3 305.382 -0.352 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000418714658 528083487 /nfs/dbraw/zinc/08/34/87/528083487.db2.gz YWKIHJYIGPZRQZ-CHWSQXEVSA-N 1 3 313.446 -0.082 20 0 DBADHO CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1CNCCO1 ZINC000418772715 528122712 /nfs/dbraw/zinc/12/27/12/528122712.db2.gz STFMCTSTPOAQEW-AWEZNQCLSA-N 1 3 316.446 -0.025 20 0 DBADHO CC[NH2+]CCNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000418317921 528308088 /nfs/dbraw/zinc/30/80/88/528308088.db2.gz NVCPAAOADURHQM-UHFFFAOYSA-N 1 3 313.446 -0.209 20 0 DBADHO CCN1CCC[C@@H]1CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000370743155 535555294 /nfs/dbraw/zinc/55/52/94/535555294.db2.gz XWJVMAJJNIOPNY-FAHYXWLWSA-N 1 3 320.437 -0.347 20 0 DBADHO C[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498523 665455918 /nfs/dbraw/zinc/45/59/18/665455918.db2.gz HQCQJUCGIGQWGZ-KRIMKBQASA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498523 665455922 /nfs/dbraw/zinc/45/59/22/665455922.db2.gz HQCQJUCGIGQWGZ-KRIMKBQASA-N 1 3 323.437 -0.235 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000423530129 665560205 /nfs/dbraw/zinc/56/02/05/665560205.db2.gz WHZXSYTYYMZAAF-MRXNPFEDSA-N 1 3 308.426 -0.107 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978960619 665587780 /nfs/dbraw/zinc/58/77/80/665587780.db2.gz MPRQZOCHAGPEMW-XDQVBPFNSA-N 1 3 320.437 -0.489 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000317380267 665815747 /nfs/dbraw/zinc/81/57/47/665815747.db2.gz LEDWSUCAYQIEHT-DYEKYZERSA-N 1 3 312.414 -0.935 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000317380267 665815748 /nfs/dbraw/zinc/81/57/48/665815748.db2.gz LEDWSUCAYQIEHT-DYEKYZERSA-N 1 3 312.414 -0.935 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001020587730 663870225 /nfs/dbraw/zinc/87/02/25/663870225.db2.gz RVPYPMQPAYVETN-XUXIUFHCSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000969952778 663885242 /nfs/dbraw/zinc/88/52/42/663885242.db2.gz YUYGPTQABZINHL-UONOGXRCSA-N 1 3 323.441 -0.314 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000970105773 663908253 /nfs/dbraw/zinc/90/82/53/663908253.db2.gz SQBKSPGHVZQNAJ-LLVKDONJSA-N 1 3 319.365 -0.708 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001021096327 663949059 /nfs/dbraw/zinc/94/90/59/663949059.db2.gz NZJSRQLFOZDSSB-XUXIUFHCSA-N 1 3 308.426 -0.014 20 0 DBADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC000970357611 663973366 /nfs/dbraw/zinc/97/33/66/663973366.db2.gz RCBXFEYVSIEOQO-TZMCWYRMSA-N 1 3 324.425 -0.824 20 0 DBADHO C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1CN(CCCO)C1 ZINC000970559721 664007838 /nfs/dbraw/zinc/00/78/38/664007838.db2.gz DIYHWEJKZQKCLH-ZDUSSCGKSA-N 1 3 323.441 -0.123 20 0 DBADHO CCN1CC[C@@H]([NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC000970716261 664040570 /nfs/dbraw/zinc/04/05/70/664040570.db2.gz AEXIIPXFMVMVCM-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)CC[N@@H+]1C ZINC001022105016 664215345 /nfs/dbraw/zinc/21/53/45/664215345.db2.gz KVYGZIXILPJDHM-NRWUCQMLSA-N 1 3 306.414 -0.108 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCc3cnnn3C)C2)CC[N@H+]1C ZINC001022105016 664215349 /nfs/dbraw/zinc/21/53/49/664215349.db2.gz KVYGZIXILPJDHM-NRWUCQMLSA-N 1 3 306.414 -0.108 20 0 DBADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CNCCO1 ZINC000892183517 664327482 /nfs/dbraw/zinc/32/74/82/664327482.db2.gz HOGDEAYKSABFSY-CHWSQXEVSA-N 1 3 312.414 -0.567 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)NC[C@H]1C[NH2+]CCO1 ZINC000892184896 664327967 /nfs/dbraw/zinc/32/79/67/664327967.db2.gz XPTLDLWIYKYOFW-LSDHHAIUSA-N 1 3 304.394 -0.012 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1Cc2ccccc2CN1 ZINC000892184894 664328108 /nfs/dbraw/zinc/32/81/08/664328108.db2.gz XPTLDLWIYKYOFW-GJZGRUSLSA-N 1 3 304.394 -0.012 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001022715549 664339908 /nfs/dbraw/zinc/33/99/08/664339908.db2.gz JRFDLPRAFJSCIF-RVMXOQNASA-N 1 3 322.409 -0.630 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001022714463 664340244 /nfs/dbraw/zinc/34/02/44/664340244.db2.gz VJDIJFMJBGHICX-YIYPIFLZSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001022715536 664340512 /nfs/dbraw/zinc/34/05/12/664340512.db2.gz JOWRQPNWAUXCOX-YIYPIFLZSA-N 1 3 308.426 -0.156 20 0 DBADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001023084344 664438950 /nfs/dbraw/zinc/43/89/50/664438950.db2.gz NQKUEAFYHAWYNT-UPJWGTAASA-N 1 3 306.414 -0.014 20 0 DBADHO CCn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001023084344 664438952 /nfs/dbraw/zinc/43/89/52/664438952.db2.gz NQKUEAFYHAWYNT-UPJWGTAASA-N 1 3 306.414 -0.014 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910729300 674637475 /nfs/dbraw/zinc/63/74/75/674637475.db2.gz MOXDWUUOKLAPJN-JJRVBVJISA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910729300 674637479 /nfs/dbraw/zinc/63/74/79/674637479.db2.gz MOXDWUUOKLAPJN-JJRVBVJISA-N 1 3 322.453 -0.051 20 0 DBADHO COCCN(C)CCN1C(=O)N[C@@H](C[NH+]2CCCCC2)C1=O ZINC000924566803 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CN(C)CCNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC001320953379 806544691 /nfs/dbraw/zinc/54/46/91/806544691.db2.gz UOHOUWAWMQUERN-UHFFFAOYSA-N 1 3 322.413 -0.234 20 0 DBADHO CN1CCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CCC1(C)C ZINC000868404363 806552864 /nfs/dbraw/zinc/55/28/64/806552864.db2.gz DTFGDSUGOCHSBV-LBPRGKRZSA-N 1 3 312.414 -0.885 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(F)C(=O)N(C)CC1C[NH+](C)C1 ZINC000869256356 806577698 /nfs/dbraw/zinc/57/76/98/806577698.db2.gz VGBKTLBYCUZSIV-UHFFFAOYSA-N 1 3 314.405 -0.636 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999684 806615687 /nfs/dbraw/zinc/61/56/87/806615687.db2.gz AUVZXQGTLPIGGR-UPJWGTAASA-N 1 3 310.398 -0.280 20 0 DBADHO C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321958566 806692813 /nfs/dbraw/zinc/69/28/13/806692813.db2.gz OJJXGTNCFDQCAU-CYDGBPFRSA-N 1 3 324.425 -0.384 20 0 DBADHO C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001321958566 806692818 /nfs/dbraw/zinc/69/28/18/806692818.db2.gz OJJXGTNCFDQCAU-CYDGBPFRSA-N 1 3 324.425 -0.384 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001322693346 806769519 /nfs/dbraw/zinc/76/95/19/806769519.db2.gz GOBJSKQVCNAOIA-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)CN1CCN(C)CC1 ZINC000876781299 806805563 /nfs/dbraw/zinc/80/55/63/806805563.db2.gz FHKZWNXIGDMSRN-SRVKXCTJSA-N 1 3 304.385 -0.174 20 0 DBADHO Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CNCCO1 ZINC000876916507 806814114 /nfs/dbraw/zinc/81/41/14/806814114.db2.gz BYDRVAKKPAYVGR-CHWSQXEVSA-N 1 3 307.398 -0.166 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1=O ZINC000877281504 806830596 /nfs/dbraw/zinc/83/05/96/806830596.db2.gz HNZKLJSOXJLFSO-MCIONIFRSA-N 1 3 308.426 -0.251 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001324262102 806957269 /nfs/dbraw/zinc/95/72/69/806957269.db2.gz FPTZTEYJPIDWPG-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO CC(C)OCCN[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001278084857 803752698 /nfs/dbraw/zinc/75/26/98/803752698.db2.gz HBBZNIVPDCYSAV-HZSPNIEDSA-N 1 3 301.431 -0.182 20 0 DBADHO CC(C)OCCN[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001278084857 803752705 /nfs/dbraw/zinc/75/27/05/803752705.db2.gz HBBZNIVPDCYSAV-HZSPNIEDSA-N 1 3 301.431 -0.182 20 0 DBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCCO ZINC001278165669 803761983 /nfs/dbraw/zinc/76/19/83/803761983.db2.gz YQRZRZFFTUXEJK-KGLIPLIRSA-N 1 3 301.431 -0.302 20 0 DBADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCCS(C)(=O)=O ZINC001280452308 803960509 /nfs/dbraw/zinc/96/05/09/803960509.db2.gz XQSHRJADMJUPDF-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001280660087 804001546 /nfs/dbraw/zinc/00/15/46/804001546.db2.gz QNDMRRRBAYOOBL-AWEZNQCLSA-N 1 3 324.429 -0.563 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001283102001 804414674 /nfs/dbraw/zinc/41/46/74/804414674.db2.gz UUVDAWREYCXPSL-JHJVBQTASA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCOCCO)C[C@H]1C ZINC001284032530 804628040 /nfs/dbraw/zinc/62/80/40/804628040.db2.gz NJUISWZLECRERM-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCO ZINC001284415062 804699956 /nfs/dbraw/zinc/69/99/56/804699956.db2.gz ANMSPBPFFFHRMS-UONOGXRCSA-N 1 3 301.431 -0.350 20 0 DBADHO COC(=O)[C@]12CN(C[C@@H](O)C[NH+]3CCCC3)C[C@H]1COCC2 ZINC000796520279 804771660 /nfs/dbraw/zinc/77/16/60/804771660.db2.gz RTLCZKIBWMFPLS-OFQRWUPVSA-N 1 3 312.410 -0.045 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC(C)CC1 ZINC000884502313 807052877 /nfs/dbraw/zinc/05/28/77/807052877.db2.gz HCRADLDMWDSYIO-RDBSUJKOSA-N 1 3 308.426 -0.204 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1=O ZINC000827318042 805334098 /nfs/dbraw/zinc/33/40/98/805334098.db2.gz DIHKIVYQOFSMBL-RBSFLKMASA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)CC1=O ZINC000827318042 805334109 /nfs/dbraw/zinc/33/41/09/805334109.db2.gz DIHKIVYQOFSMBL-RBSFLKMASA-N 1 3 322.453 -0.051 20 0 DBADHO [NH3+][C@H](CC1CC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884211073 807040243 /nfs/dbraw/zinc/04/02/43/807040243.db2.gz SDNFTIOXVFZTFR-CQSZACIVSA-N 1 3 308.426 -0.120 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884555528 807055456 /nfs/dbraw/zinc/05/54/56/807055456.db2.gz SUQCPLJJJOTMGR-YUTCNCBUSA-N 1 3 308.426 -0.075 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000884576754 807057422 /nfs/dbraw/zinc/05/74/22/807057422.db2.gz PMZNTJIMEMOHCF-WMLDXEAASA-N 1 3 322.453 -0.098 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000884577054 807057865 /nfs/dbraw/zinc/05/78/65/807057865.db2.gz WUPOQFHBXRJPGX-MGPQQGTHSA-N 1 3 310.442 -0.112 20 0 DBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)C2 ZINC000884631219 807061698 /nfs/dbraw/zinc/06/16/98/807061698.db2.gz BUWUUKPCQJAUDQ-GRDNDAEWSA-N 1 3 320.437 -0.345 20 0 DBADHO CN1CCN(C(=O)C(=O)NCC2=CC[NH2+]CC2)CCC1(C)C ZINC000884721557 807073046 /nfs/dbraw/zinc/07/30/46/807073046.db2.gz NVFPMHQODJDIEK-UHFFFAOYSA-N 1 3 308.426 -0.035 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884787186 807076745 /nfs/dbraw/zinc/07/67/45/807076745.db2.gz JXNICZGWLMUJJB-HEHGZKQESA-N 1 3 308.426 -0.345 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001326147642 807153154 /nfs/dbraw/zinc/15/31/54/807153154.db2.gz VFNJXPSDEMOIEO-CYBMUJFWSA-N 1 3 309.414 -0.718 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001326147642 807153158 /nfs/dbraw/zinc/15/31/58/807153158.db2.gz VFNJXPSDEMOIEO-CYBMUJFWSA-N 1 3 309.414 -0.718 20 0 DBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCN(C)CCO ZINC000899734036 807270795 /nfs/dbraw/zinc/27/07/95/807270795.db2.gz RUJMFVDKDUHODB-AWEZNQCLSA-N 1 3 301.431 -0.180 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1)N(C)C ZINC001327568649 807305212 /nfs/dbraw/zinc/30/52/12/807305212.db2.gz IBMCKFMNRPTCOW-GOEBONIOSA-N 1 3 315.458 -0.102 20 0 DBADHO C[C@H](CNC(=O)[C@]1(C)C[C@@H](O)CN1C)C[NH+]1CCN(C)CC1 ZINC000900693349 807321054 /nfs/dbraw/zinc/32/10/54/807321054.db2.gz PZRSEYOKHVMGLD-FMKPAKJESA-N 1 3 312.458 -0.559 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901106147 807350441 /nfs/dbraw/zinc/35/04/41/807350441.db2.gz MKTZPKCGCOZGSK-CQSZACIVSA-N 1 3 320.437 -0.153 20 0 DBADHO CC1(C)C[NH2+]CC[C@H](NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000902406029 807373468 /nfs/dbraw/zinc/37/34/68/807373468.db2.gz NEAANJZLQYHDKN-BBRMVZONSA-N 1 3 311.426 -0.018 20 0 DBADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036870090 815113233 /nfs/dbraw/zinc/11/32/33/815113233.db2.gz OODKFGXURQDRTB-ZIAGYGMSSA-N 1 3 320.437 -0.249 20 0 DBADHO COC[C@H](C)NC(=O)NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496340 807391131 /nfs/dbraw/zinc/39/11/31/807391131.db2.gz KXGDHUMGKGEAPA-GRYCIOLGSA-N 1 3 300.403 -0.236 20 0 DBADHO CC(C)(C[NH3+])C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000903523332 807393422 /nfs/dbraw/zinc/39/34/22/807393422.db2.gz UBZWZYTYHWTVJE-UHFFFAOYSA-N 1 3 304.460 -0.167 20 0 DBADHO CC1(C)CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1[NH3+] ZINC000903735173 807405574 /nfs/dbraw/zinc/40/55/74/807405574.db2.gz ITNPPYADATYFNG-QWHCGFSZSA-N 1 3 308.426 -0.121 20 0 DBADHO O=C1CNCCN1[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742543 807405951 /nfs/dbraw/zinc/40/59/51/807405951.db2.gz CMYFHFZDAVCXFP-INMHGKMJSA-N 1 3 322.453 -0.349 20 0 DBADHO OCCN(CCN1CCOCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903735799 807406199 /nfs/dbraw/zinc/40/61/99/807406199.db2.gz DRRVCAIFDHHVLX-HOTGVXAUSA-N 1 3 313.442 -0.619 20 0 DBADHO [NH3+]C[C@@H]1CC2(CO1)CCN(CCN1CCCS1(=O)=O)CC2 ZINC000903786355 807414224 /nfs/dbraw/zinc/41/42/24/807414224.db2.gz HOEWEARUKSSFDH-ZDUSSCGKSA-N 1 3 317.455 -0.148 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905012515 807440172 /nfs/dbraw/zinc/44/01/72/807440172.db2.gz MGGWRXZVUMKPJE-MRXNPFEDSA-N 1 3 308.426 -0.105 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)C[C@@]2(O)CCOC2)CCCO1 ZINC000905230632 807450161 /nfs/dbraw/zinc/45/01/61/807450161.db2.gz GWIRDHFZLMLLHV-PMPSAXMXSA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)C[C@@]2(O)CCOC2)CCCO1 ZINC000905230632 807450164 /nfs/dbraw/zinc/45/01/64/807450164.db2.gz GWIRDHFZLMLLHV-PMPSAXMXSA-N 1 3 316.442 -0.021 20 0 DBADHO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C[C@@H](O)CN2CCCC2)C1 ZINC000905701487 807467289 /nfs/dbraw/zinc/46/72/89/807467289.db2.gz DYMSZWDTLQWRFH-MGPQQGTHSA-N 1 3 315.414 -0.518 20 0 DBADHO C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CN(C)CCN1C ZINC000906780815 807499931 /nfs/dbraw/zinc/49/99/31/807499931.db2.gz SCVGHWUTYSRPDA-HIFRSBDPSA-N 1 3 311.474 -0.770 20 0 DBADHO C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CN(C)CCN1C ZINC000906780815 807499934 /nfs/dbraw/zinc/49/99/34/807499934.db2.gz SCVGHWUTYSRPDA-HIFRSBDPSA-N 1 3 311.474 -0.770 20 0 DBADHO CN1CC[N@H+](C)CC(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000906918550 807504898 /nfs/dbraw/zinc/50/48/98/807504898.db2.gz VJXQNVRUWZERRZ-HNNXBMFYSA-N 1 3 324.469 -0.340 20 0 DBADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN(C[C@@H]3CCOC3)CC2)C1 ZINC000906918550 807504904 /nfs/dbraw/zinc/50/49/04/807504904.db2.gz VJXQNVRUWZERRZ-HNNXBMFYSA-N 1 3 324.469 -0.340 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000908541784 807598859 /nfs/dbraw/zinc/59/88/59/807598859.db2.gz QPKSJUCRKLVWIO-ZBFHGGJFSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@H]2CCCCN2CCO)C1 ZINC000908541784 807598861 /nfs/dbraw/zinc/59/88/61/807598861.db2.gz QPKSJUCRKLVWIO-ZBFHGGJFSA-N 1 3 313.442 -0.204 20 0 DBADHO C[NH+](C)CCn1nccc1C(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000912053681 807622904 /nfs/dbraw/zinc/62/29/04/807622904.db2.gz CTVVSKNHYZWMED-QWHCGFSZSA-N 1 3 307.398 -0.664 20 0 DBADHO Cc1ccccc1CN1CCN(C(=O)CNC(CN)C[NH3+])CC1 ZINC000923354837 807661427 /nfs/dbraw/zinc/66/14/27/807661427.db2.gz WEKVBTHLFPGFJO-UHFFFAOYSA-N 1 3 319.453 -0.485 20 0 DBADHO COC(=O)c1cn([C@H]2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923377613 807662755 /nfs/dbraw/zinc/66/27/55/807662755.db2.gz VNIMINWIKMMLDH-RYUDHWBXSA-N 1 3 321.381 -0.310 20 0 DBADHO CC(C)OC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413022 807665740 /nfs/dbraw/zinc/66/57/40/807665740.db2.gz CIWGCFHEIVXGHP-FQUUOJAGSA-N 1 3 313.398 -0.361 20 0 DBADHO CC(C)OC[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413030 807665822 /nfs/dbraw/zinc/66/58/22/807665822.db2.gz CIWGCFHEIVXGHP-SYQHCUMBSA-N 1 3 313.398 -0.361 20 0 DBADHO CSC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413108 807665911 /nfs/dbraw/zinc/66/59/11/807665911.db2.gz DFWQNMYASWCKBC-KXNHARMFSA-N 1 3 301.412 -0.423 20 0 DBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC000923414991 807666213 /nfs/dbraw/zinc/66/62/13/807666213.db2.gz OCUDBMFPGIUJDA-FQUUOJAGSA-N 1 3 321.381 -0.889 20 0 DBADHO Cn1c(CN2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc(=O)n(C)c1=O ZINC000923455334 807671164 /nfs/dbraw/zinc/67/11/64/807671164.db2.gz SQVGCTYKOMMGRR-CYBMUJFWSA-N 1 3 322.409 -0.586 20 0 DBADHO COCCCS(=O)(=O)NCCN1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499900 807674010 /nfs/dbraw/zinc/67/40/10/807674010.db2.gz VAOYNXMHZZDDQG-QWHCGFSZSA-N 1 3 307.460 -0.141 20 0 DBADHO COCCCS(=O)(=O)NCCN1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500195 807674596 /nfs/dbraw/zinc/67/45/96/807674596.db2.gz VAOYNXMHZZDDQG-STQMWFEESA-N 1 3 307.460 -0.141 20 0 DBADHO C[N@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923629209 807693298 /nfs/dbraw/zinc/69/32/98/807693298.db2.gz ZODCRRBFZCSYPS-AWEZNQCLSA-N 1 3 316.471 -0.200 20 0 DBADHO C[N@@H+](CC1CC1)C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923629209 807693302 /nfs/dbraw/zinc/69/33/02/807693302.db2.gz ZODCRRBFZCSYPS-AWEZNQCLSA-N 1 3 316.471 -0.200 20 0 DBADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(S(=O)(=O)C3CNC3)C2)C1 ZINC000923652088 807696223 /nfs/dbraw/zinc/69/62/23/807696223.db2.gz IBCBCPQIJWGCNA-LOWVWBTDSA-N 1 3 303.428 -0.494 20 0 DBADHO O=S(=O)(NCc1cc(O[C@@H]2CC[NH2+]C2)ccn1)C1CNC1 ZINC000923650680 807696245 /nfs/dbraw/zinc/69/62/45/807696245.db2.gz QSXOLKSTLVEQGC-GFCCVEGCSA-N 1 3 312.395 -0.787 20 0 DBADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2S(=O)(=O)C2CNC2)C1 ZINC000923651511 807696616 /nfs/dbraw/zinc/69/66/16/807696616.db2.gz GPBSZNOQEIUXJI-KGYLQXTDSA-N 1 3 303.428 -0.351 20 0 DBADHO COCCN(CC1CC[NH+](C)CC1)S(=O)(=O)C1CNC1 ZINC000923661132 807698398 /nfs/dbraw/zinc/69/83/98/807698398.db2.gz BWVKZACFCVUVDK-UHFFFAOYSA-N 1 3 305.444 -0.422 20 0 DBADHO [NH3+][C@@H](CCNS(=O)(=O)N1CCNCC1)Cc1ccccc1 ZINC000923664502 807699444 /nfs/dbraw/zinc/69/94/44/807699444.db2.gz BIPPQZHYOLABFN-AWEZNQCLSA-N 1 3 312.439 -0.314 20 0 DBADHO C[C@H]1C[N@H+](CCCN2C(=O)N[C@H](CN(C)C)C2=O)CCCO1 ZINC000924744666 807721871 /nfs/dbraw/zinc/72/18/71/807721871.db2.gz RVPQIGCSDHCUMF-QWHCGFSZSA-N 1 3 312.414 -0.031 20 0 DBADHO C[C@H]1C[N@@H+](CCCN2C(=O)N[C@H](CN(C)C)C2=O)CCCO1 ZINC000924744666 807721873 /nfs/dbraw/zinc/72/18/73/807721873.db2.gz RVPQIGCSDHCUMF-QWHCGFSZSA-N 1 3 312.414 -0.031 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC[N@@H+]1C ZINC000925357319 807736768 /nfs/dbraw/zinc/73/67/68/807736768.db2.gz VRUSSWHQYGTABW-AGIUHOORSA-N 1 3 311.430 -0.160 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC[N@H+]1C ZINC000925357319 807736771 /nfs/dbraw/zinc/73/67/71/807736771.db2.gz VRUSSWHQYGTABW-AGIUHOORSA-N 1 3 311.430 -0.160 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001331103129 807770730 /nfs/dbraw/zinc/77/07/30/807770730.db2.gz ITPSTOXNFMRZQL-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCO[C@H](CNC(=O)NCCN1CC[C@@H](O)C1)C[NH+](C)C ZINC000926855287 807780143 /nfs/dbraw/zinc/78/01/43/807780143.db2.gz SYRCVIPQGYNPLP-CHWSQXEVSA-N 1 3 302.419 -0.681 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC001331235069 807782567 /nfs/dbraw/zinc/78/25/67/807782567.db2.gz WXPMULXFLGBMBG-JTQLQIEISA-N 1 3 306.357 -0.633 20 0 DBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CO1 ZINC001332298095 807896466 /nfs/dbraw/zinc/89/64/66/807896466.db2.gz WVJVGJZHEFMBGS-QWHCGFSZSA-N 1 3 314.430 -0.768 20 0 DBADHO CN1C[C@H](O)C[C@]1(C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001332390224 807910828 /nfs/dbraw/zinc/91/08/28/807910828.db2.gz FFXPWHSCEPDWJX-GDBMZVCRSA-N 1 3 312.458 -0.415 20 0 DBADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934269966 808024208 /nfs/dbraw/zinc/02/42/08/808024208.db2.gz RPBVCAXFVSRLMZ-ARFHVFGLSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934269966 808024212 /nfs/dbraw/zinc/02/42/12/808024212.db2.gz RPBVCAXFVSRLMZ-ARFHVFGLSA-N 1 3 315.458 -0.544 20 0 DBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC001333448808 808062524 /nfs/dbraw/zinc/06/25/24/808062524.db2.gz SFKVATYYSPFROE-MGPQQGTHSA-N 1 3 308.426 -0.073 20 0 DBADHO COCC[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001335550948 808296573 /nfs/dbraw/zinc/29/65/73/808296573.db2.gz GJAOTVORUCRVDJ-KGLIPLIRSA-N 1 3 314.430 -0.537 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC001337528392 808463812 /nfs/dbraw/zinc/46/38/12/808463812.db2.gz FXZDDEZLKGMKTF-SYQHCUMBSA-N 1 3 308.426 -0.075 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)C1 ZINC000950077766 808587245 /nfs/dbraw/zinc/58/72/45/808587245.db2.gz UMUGUPUCUFKQPL-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN2C(=O)CN2CCCC2)C1 ZINC000950077766 808587249 /nfs/dbraw/zinc/58/72/49/808587249.db2.gz UMUGUPUCUFKQPL-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO CCN1CCN(CCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001340111438 808620880 /nfs/dbraw/zinc/62/08/80/808620880.db2.gz CFPSNJJPHATZKM-INIZCTEOSA-N 1 3 312.458 -0.365 20 0 DBADHO CN1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001340114899 808622179 /nfs/dbraw/zinc/62/21/79/808622179.db2.gz YEHNIEVNVKTWOX-ZBFHGGJFSA-N 1 3 310.442 -0.634 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951233570 808783187 /nfs/dbraw/zinc/78/31/87/808783187.db2.gz KBLVAIGCOBXMJF-KGLIPLIRSA-N 1 3 320.437 -0.107 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954320257 809214036 /nfs/dbraw/zinc/21/40/36/809214036.db2.gz NNCOHQWKLOUVNL-CYBMUJFWSA-N 1 3 308.426 -0.297 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954320257 809214041 /nfs/dbraw/zinc/21/40/41/809214041.db2.gz NNCOHQWKLOUVNL-CYBMUJFWSA-N 1 3 308.426 -0.297 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000955339980 809393351 /nfs/dbraw/zinc/39/33/51/809393351.db2.gz GZBBHFNJODKUHS-KGLIPLIRSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000955339980 809393359 /nfs/dbraw/zinc/39/33/59/809393359.db2.gz GZBBHFNJODKUHS-KGLIPLIRSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000955350385 809399065 /nfs/dbraw/zinc/39/90/65/809399065.db2.gz SKPRHKJZQVDKMM-FZMZJTMJSA-N 1 3 319.409 -0.181 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000955350385 809399070 /nfs/dbraw/zinc/39/90/70/809399070.db2.gz SKPRHKJZQVDKMM-FZMZJTMJSA-N 1 3 319.409 -0.181 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000955444365 809417757 /nfs/dbraw/zinc/41/77/57/809417757.db2.gz XUMHOZCHYNEXCO-BXUZGUMPSA-N 1 3 319.409 -0.038 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC(N(C)C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000955444365 809417760 /nfs/dbraw/zinc/41/77/60/809417760.db2.gz XUMHOZCHYNEXCO-BXUZGUMPSA-N 1 3 319.409 -0.038 20 0 DBADHO COCCN1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214454 809814316 /nfs/dbraw/zinc/81/43/16/809814316.db2.gz HXFVMELPTORHFW-KBPBESRZSA-N 1 3 311.426 -0.330 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@@H]2O)c1 ZINC000958716662 810010841 /nfs/dbraw/zinc/01/08/41/810010841.db2.gz NRLAZGHJVATRGV-CVEARBPZSA-N 1 3 321.421 -0.237 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@@H]2O)c1 ZINC000958716662 810010845 /nfs/dbraw/zinc/01/08/45/810010845.db2.gz NRLAZGHJVATRGV-CVEARBPZSA-N 1 3 321.421 -0.237 20 0 DBADHO COCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961275991 810258895 /nfs/dbraw/zinc/25/88/95/810258895.db2.gz DGZRXPUQZGNZEX-VCAPWORMSA-N 1 3 321.421 -0.458 20 0 DBADHO COCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC000961275991 810258904 /nfs/dbraw/zinc/25/89/04/810258904.db2.gz DGZRXPUQZGNZEX-VCAPWORMSA-N 1 3 321.421 -0.458 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC000962583901 810557260 /nfs/dbraw/zinc/55/72/60/810557260.db2.gz COZUREIRYHTJEK-KBXIAJHMSA-N 1 3 303.410 -0.119 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCn4cccn4)C[C@H]32)C1 ZINC000962583901 810557265 /nfs/dbraw/zinc/55/72/65/810557265.db2.gz COZUREIRYHTJEK-KBXIAJHMSA-N 1 3 303.410 -0.119 20 0 DBADHO O=C(NC1CC2(C1)CC([NH2+]CCO)C2)[C@@H]1CN2CCC[C@@H]2CO1 ZINC000963839575 810666637 /nfs/dbraw/zinc/66/66/37/810666637.db2.gz TXYDJAVYGCZLNI-XDWDKAQSSA-N 1 3 323.437 -0.141 20 0 DBADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000967978405 811328662 /nfs/dbraw/zinc/32/86/62/811328662.db2.gz LAIRJOADHRARPD-GFCCVEGCSA-N 1 3 319.409 -0.037 20 0 DBADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000967978405 811328670 /nfs/dbraw/zinc/32/86/70/811328670.db2.gz LAIRJOADHRARPD-GFCCVEGCSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CCC1 ZINC000968927405 811515115 /nfs/dbraw/zinc/51/51/15/811515115.db2.gz ZAJYGYPKPJJMDX-CYBMUJFWSA-N 1 3 323.441 -0.314 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001004447717 811981737 /nfs/dbraw/zinc/98/17/37/811981737.db2.gz GMMDZNCIJSWWSO-UKRRQHHQSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001004447717 811981743 /nfs/dbraw/zinc/98/17/43/811981743.db2.gz GMMDZNCIJSWWSO-UKRRQHHQSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006116145 812161006 /nfs/dbraw/zinc/16/10/06/812161006.db2.gz AFLAJQHVAPXMPK-RYUDHWBXSA-N 1 3 319.409 -0.133 20 0 DBADHO C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006116145 812161011 /nfs/dbraw/zinc/16/10/11/812161011.db2.gz AFLAJQHVAPXMPK-RYUDHWBXSA-N 1 3 319.409 -0.133 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCN(CCCO)C2)n1 ZINC001014460686 813250250 /nfs/dbraw/zinc/25/02/50/813250250.db2.gz MXPCFVKPYXTGHH-CYBMUJFWSA-N 1 3 309.414 -0.369 20 0 DBADHO C[C@@H](O)CN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826913 813534001 /nfs/dbraw/zinc/53/40/01/813534001.db2.gz LCYGHBDEZYHSEB-TZMCWYRMSA-N 1 3 309.414 -0.370 20 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/nfs/dbraw/zinc/15/16/87/814151687.db2.gz PEGWHRLKTOHPQU-SRVKXCTJSA-N 1 3 310.398 -0.678 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019774656 814232142 /nfs/dbraw/zinc/23/21/42/814232142.db2.gz CKVIRQUSVUXISV-ZDUSSCGKSA-N 1 3 309.414 -0.702 20 0 DBADHO CN1CC[C@@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001030020193 814392673 /nfs/dbraw/zinc/39/26/73/814392673.db2.gz WZQLAJRMMHSGFE-BFHYXJOUSA-N 1 3 308.426 -0.108 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001030020129 814392795 /nfs/dbraw/zinc/39/27/95/814392795.db2.gz YXIWWGHGPWOKCG-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(N[C@H]1CCCC[N@@H+](CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034319569 814664025 /nfs/dbraw/zinc/66/40/25/814664025.db2.gz ISMVMMYPGBCNFE-KRIMKBQASA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(N[C@H]1CCCC[N@H+](CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001034319569 814664030 /nfs/dbraw/zinc/66/40/30/814664030.db2.gz ISMVMMYPGBCNFE-KRIMKBQASA-N 1 3 323.437 -0.187 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)CC1 ZINC001035036310 814850184 /nfs/dbraw/zinc/85/01/84/814850184.db2.gz KLCMKXPGZGTSAJ-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(N1CCC[C@@H]1CN[C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001035102511 814858246 /nfs/dbraw/zinc/85/82/46/814858246.db2.gz KOBHTASNPOSHNB-CHWSQXEVSA-N 1 3 306.410 -0.449 20 0 DBADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001035126000 814859892 /nfs/dbraw/zinc/85/98/92/814859892.db2.gz QYBAXPKYWMMFIU-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CNC(=O)CN1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)CC2 ZINC001035257745 814869558 /nfs/dbraw/zinc/86/95/58/814869558.db2.gz CHRLGRGKKHJUDL-CQSZACIVSA-N 1 3 322.453 -0.001 20 0 DBADHO CNC(=O)CN1CCC2(C1)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)CC2 ZINC001035257745 814869560 /nfs/dbraw/zinc/86/95/60/814869560.db2.gz CHRLGRGKKHJUDL-CQSZACIVSA-N 1 3 322.453 -0.001 20 0 DBADHO O=C(N1CCC[C@H]1CN[C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001045274271 816603962 /nfs/dbraw/zinc/60/39/62/816603962.db2.gz KOBHTASNPOSHNB-STQMWFEESA-N 1 3 306.410 -0.449 20 0 DBADHO CC1(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)CC[NH+](CCO)CC1 ZINC001045444841 816632867 /nfs/dbraw/zinc/63/28/67/816632867.db2.gz YPBRGYOWJFPDJB-KBPBESRZSA-N 1 3 311.426 -0.187 20 0 DBADHO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046010386 816718693 /nfs/dbraw/zinc/71/86/93/816718693.db2.gz MKZZXNREIFQVCO-CVEARBPZSA-N 1 3 324.469 -0.055 20 0 DBADHO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC001046010386 816718700 /nfs/dbraw/zinc/71/87/00/816718700.db2.gz MKZZXNREIFQVCO-CVEARBPZSA-N 1 3 324.469 -0.055 20 0 DBADHO COCC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046010388 816719021 /nfs/dbraw/zinc/71/90/21/816719021.db2.gz MKZZXNREIFQVCO-HZPDHXFCSA-N 1 3 324.469 -0.055 20 0 DBADHO COCC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC001046010388 816719024 /nfs/dbraw/zinc/71/90/24/816719024.db2.gz MKZZXNREIFQVCO-HZPDHXFCSA-N 1 3 324.469 -0.055 20 0 DBADHO CN(C)C1(C(=O)N2CCN([C@@H]3CC[N@H+](CCO)C3)CC2)CCC1 ZINC001046035916 816733938 /nfs/dbraw/zinc/73/39/38/816733938.db2.gz WERUNOPAROIJFP-OAHLLOKOSA-N 1 3 324.469 -0.319 20 0 DBADHO CN(C)C1(C(=O)N2CCN([C@@H]3CC[N@@H+](CCO)C3)CC2)CCC1 ZINC001046035916 816733947 /nfs/dbraw/zinc/73/39/47/816733947.db2.gz WERUNOPAROIJFP-OAHLLOKOSA-N 1 3 324.469 -0.319 20 0 DBADHO CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CN(CCCO)C[C@@H]1O ZINC001047553743 817197457 /nfs/dbraw/zinc/19/74/57/817197457.db2.gz VCSPWRWGBMOYKI-GJZGRUSLSA-N 1 3 313.442 -0.396 20 0 DBADHO CN(C)Cc1ccoc1C(=O)N1C[C@@H]2C[N@@H+](CC(N)=O)C[C@@H]2C1 ZINC001049012419 817507813 /nfs/dbraw/zinc/50/78/13/817507813.db2.gz BUEDUIAUHGBLAT-BETUJISGSA-N 1 3 320.393 -0.170 20 0 DBADHO CN(C)Cc1ccoc1C(=O)N1C[C@@H]2C[N@H+](CC(N)=O)C[C@@H]2C1 ZINC001049012419 817507817 /nfs/dbraw/zinc/50/78/17/817507817.db2.gz BUEDUIAUHGBLAT-BETUJISGSA-N 1 3 320.393 -0.170 20 0 DBADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001049038473 817515890 /nfs/dbraw/zinc/51/58/90/817515890.db2.gz IFSQPLCWIAFXGI-LXTVHRRPSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001049038473 817515895 /nfs/dbraw/zinc/51/58/95/817515895.db2.gz IFSQPLCWIAFXGI-LXTVHRRPSA-N 1 3 322.453 -0.149 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049058364 817518640 /nfs/dbraw/zinc/51/86/40/817518640.db2.gz XJYFIZUGCJEXOF-APIJFGDWSA-N 1 3 320.437 -0.251 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049058364 817518642 /nfs/dbraw/zinc/51/86/42/817518642.db2.gz XJYFIZUGCJEXOF-APIJFGDWSA-N 1 3 320.437 -0.251 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049083558 817527278 /nfs/dbraw/zinc/52/72/78/817527278.db2.gz IQGXVOBJBNSBBB-NTZNESFSSA-N 1 3 303.366 -0.769 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049083558 817527283 /nfs/dbraw/zinc/52/72/83/817527283.db2.gz IQGXVOBJBNSBBB-NTZNESFSSA-N 1 3 303.366 -0.769 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049214631 817562781 /nfs/dbraw/zinc/56/27/81/817562781.db2.gz QGYKRXCPMHXOQK-RFQIPJPRSA-N 1 3 308.426 -0.537 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049214631 817562788 /nfs/dbraw/zinc/56/27/88/817562788.db2.gz QGYKRXCPMHXOQK-RFQIPJPRSA-N 1 3 308.426 -0.537 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001050238010 817703832 /nfs/dbraw/zinc/70/38/32/817703832.db2.gz VBNFTKWOZRYLRI-UONOGXRCSA-N 1 3 308.426 -0.201 20 0 DBADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753764 817753289 /nfs/dbraw/zinc/75/32/89/817753289.db2.gz CALAIVNVPUYASM-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753764 817753298 /nfs/dbraw/zinc/75/32/98/817753298.db2.gz CALAIVNVPUYASM-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CC[C@H]([NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001054296843 818098757 /nfs/dbraw/zinc/09/87/57/818098757.db2.gz WZQLAJRMMHSGFE-HZSPNIEDSA-N 1 3 308.426 -0.108 20 0 DBADHO CCCN(C)CC(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058710754 819029605 /nfs/dbraw/zinc/02/96/05/819029605.db2.gz NPJSFIBGNZHVCU-UHFFFAOYSA-N 1 3 316.446 -0.783 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@@H]1COCCN1C(=O)Cc1c[nH]cn1 ZINC001061862233 819426134 /nfs/dbraw/zinc/42/61/34/819426134.db2.gz RDZAVJRLIBNFGW-CYBMUJFWSA-N 1 3 323.397 -0.753 20 0 DBADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069902587 820336326 /nfs/dbraw/zinc/33/63/26/820336326.db2.gz FALRBISOUKNNQB-RDBSUJKOSA-N 1 3 322.413 -0.904 20 0 DBADHO CN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069902587 820336338 /nfs/dbraw/zinc/33/63/38/820336338.db2.gz FALRBISOUKNNQB-RDBSUJKOSA-N 1 3 322.413 -0.904 20 0 DBADHO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@H]1n1ccnn1 ZINC001070209247 820425307 /nfs/dbraw/zinc/42/53/07/820425307.db2.gz UOYXZPJPOVNLQV-HZSPNIEDSA-N 1 3 306.414 -0.020 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CCO)C2)C1 ZINC001070434428 820470833 /nfs/dbraw/zinc/47/08/33/820470833.db2.gz UOYQHAUYGYFASI-OLZOCXBDSA-N 1 3 321.425 -0.241 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCc2c[nH]nc2[C@@H]2CCN(CCO)C2)C1 ZINC001070434428 820470840 /nfs/dbraw/zinc/47/08/40/820470840.db2.gz UOYQHAUYGYFASI-OLZOCXBDSA-N 1 3 321.425 -0.241 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1)N(C)C ZINC001070690980 820529445 /nfs/dbraw/zinc/52/94/45/820529445.db2.gz YGORYXRIZCUUGM-MCIONIFRSA-N 1 3 323.441 -0.363 20 0 DBADHO O=C(CN1CCCC1)N1CC2(C1)CC[N@H+](CCn1cncn1)C2 ZINC001073430528 821129510 /nfs/dbraw/zinc/12/95/10/821129510.db2.gz GITUFGXWGKEOLQ-UHFFFAOYSA-N 1 3 318.425 -0.092 20 0 DBADHO O=C(CN1CCCC1)N1CC2(C1)CC[N@@H+](CCn1cncn1)C2 ZINC001073430528 821129513 /nfs/dbraw/zinc/12/95/13/821129513.db2.gz GITUFGXWGKEOLQ-UHFFFAOYSA-N 1 3 318.425 -0.092 20 0 DBADHO O=C(NC[C@@H]1CN(CCO)CCCO1)[C@@H]1C[NH+]2CCC1CC2 ZINC001073605739 821182387 /nfs/dbraw/zinc/18/23/87/821182387.db2.gz SPFKODMTYMPZCO-HUUCEWRRSA-N 1 3 311.426 -0.472 20 0 DBADHO COCCN1CCCO[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001073861894 821259545 /nfs/dbraw/zinc/25/95/45/821259545.db2.gz JQOOOEMPWXWKBY-CQSZACIVSA-N 1 3 311.426 -0.064 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CCO)CCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001074755413 821430906 /nfs/dbraw/zinc/43/09/06/821430906.db2.gz BOCDHOPTOCKKRR-NSVFMMHJSA-N 1 3 309.410 -0.579 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001076206526 821688796 /nfs/dbraw/zinc/68/87/96/821688796.db2.gz SXJLDYIGUULEBY-RRFJBIMHSA-N 1 3 320.437 -0.251 20 0 DBADHO C[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001077312306 822076353 /nfs/dbraw/zinc/07/63/53/822076353.db2.gz XCYPIIHWZRCIRF-LERXQTSPSA-N 1 3 304.350 -0.510 20 0 DBADHO O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011817 822317142 /nfs/dbraw/zinc/31/71/42/822317142.db2.gz JJCUKYIFMVHRHI-MGPQQGTHSA-N 1 3 309.410 -0.720 20 0 DBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001080593188 824063028 /nfs/dbraw/zinc/06/30/28/824063028.db2.gz NKGDYAOXHXYESH-TZMCWYRMSA-N 1 3 309.414 -0.513 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001082663379 824456018 /nfs/dbraw/zinc/45/60/18/824456018.db2.gz LKWMRVPBRSYSNP-UXIGCNINSA-N 1 3 308.426 -0.217 20 0 DBADHO O=C(N[C@@H]1CN(CCCO)C[C@@H]1O)c1ccn2c[nH+]cc2c1 ZINC001083607235 824696756 /nfs/dbraw/zinc/69/67/56/824696756.db2.gz MTKGBSRJAIHINE-KGLIPLIRSA-N 1 3 304.350 -0.508 20 0 DBADHO O=C(N[C@@H]1C[N@H+](CCCO)C[C@@H]1O)c1ccn2cncc2c1 ZINC001083607235 824696760 /nfs/dbraw/zinc/69/67/60/824696760.db2.gz MTKGBSRJAIHINE-KGLIPLIRSA-N 1 3 304.350 -0.508 20 0 DBADHO O=C(N[C@@H]1C[N@@H+](CCCO)C[C@@H]1O)c1ccn2cncc2c1 ZINC001083607235 824696766 /nfs/dbraw/zinc/69/67/66/824696766.db2.gz MTKGBSRJAIHINE-KGLIPLIRSA-N 1 3 304.350 -0.508 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)C1CCC1 ZINC001114414125 828691018 /nfs/dbraw/zinc/69/10/18/828691018.db2.gz NCWJPRAAKNFIEZ-FOLVSLTJSA-N 1 3 311.426 -0.474 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)C1CCC1 ZINC001114414125 828691021 /nfs/dbraw/zinc/69/10/21/828691021.db2.gz NCWJPRAAKNFIEZ-FOLVSLTJSA-N 1 3 311.426 -0.474 20 0 DBADHO COC[C@@H](C)[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001083961686 824842775 /nfs/dbraw/zinc/84/27/75/824842775.db2.gz DYTYWSFSABCWCZ-KYOSRNDESA-N 1 3 322.409 -0.043 20 0 DBADHO COC[C@@H](C)[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001083961686 824842782 /nfs/dbraw/zinc/84/27/82/824842782.db2.gz DYTYWSFSABCWCZ-KYOSRNDESA-N 1 3 322.409 -0.043 20 0 DBADHO O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959367 824843729 /nfs/dbraw/zinc/84/37/29/824843729.db2.gz SWWPLHVPYLIETQ-KFWWJZLASA-N 1 3 323.437 -0.330 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[NH+](C)C ZINC001114795114 828744343 /nfs/dbraw/zinc/74/43/43/828744343.db2.gz WECNABMOHRTYLR-CBBWQLFWSA-N 1 3 320.441 -0.089 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001086198008 825202635 /nfs/dbraw/zinc/20/26/35/825202635.db2.gz HGHSETAAHFULLK-XPCVCDNBSA-N 1 3 320.441 -0.003 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001086198008 825202645 /nfs/dbraw/zinc/20/26/45/825202645.db2.gz HGHSETAAHFULLK-XPCVCDNBSA-N 1 3 320.441 -0.003 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001114841504 828750463 /nfs/dbraw/zinc/75/04/63/828750463.db2.gz XJVCQKWHQSWHLI-SFDCQRBFSA-N 1 3 322.453 -0.101 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001114841504 828750471 /nfs/dbraw/zinc/75/04/71/828750471.db2.gz XJVCQKWHQSWHLI-SFDCQRBFSA-N 1 3 322.453 -0.101 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)CC(C)(C)C ZINC001114841502 828750556 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ZINC001161483810 833024035 /nfs/dbraw/zinc/02/40/35/833024035.db2.gz PDHXUOZPGMADNA-JHJVBQTASA-N 1 3 306.410 -0.735 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC[C@@H]21 ZINC001161483811 833024817 /nfs/dbraw/zinc/02/48/17/833024817.db2.gz PDHXUOZPGMADNA-UPJWGTAASA-N 1 3 306.410 -0.735 20 0 DBADHO CNC(=O)CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001274073988 833025416 /nfs/dbraw/zinc/02/54/16/833025416.db2.gz RJKBIJAICGOJHV-OAHLLOKOSA-N 1 3 310.398 -0.865 20 0 DBADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001161490332 833026093 /nfs/dbraw/zinc/02/60/93/833026093.db2.gz YTYMZAXLNXUSSD-WCQYABFASA-N 1 3 315.439 -0.650 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511060 833029941 /nfs/dbraw/zinc/02/99/41/833029941.db2.gz VTABZNOLUDYKCP-WDEREUQCSA-N 1 3 313.398 -0.508 20 0 DBADHO COC(=O)CC[C@H]1COCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161565582 833034579 /nfs/dbraw/zinc/03/45/79/833034579.db2.gz IAIMHFVDOZQXLI-JSGCOSHPSA-N 1 3 313.398 -0.506 20 0 DBADHO CN(CC(=O)N1CCC([NH+](CCO)CCO)CC1)C1CCC1 ZINC001098394148 826476052 /nfs/dbraw/zinc/47/60/52/826476052.db2.gz YPSKAGUDXALSJF-UHFFFAOYSA-N 1 3 313.442 -0.252 20 0 DBADHO CC[C@H](C(=O)N1CCC([NH+](CCO)CCO)CC1)N(C)C ZINC001098404490 826478035 /nfs/dbraw/zinc/47/80/35/826478035.db2.gz NJOMEIUUOCYGBY-CQSZACIVSA-N 1 3 301.431 -0.396 20 0 DBADHO C[C@H](O)C[N@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098450614 826486104 /nfs/dbraw/zinc/48/61/04/826486104.db2.gz CSSGJAWRHQUEIY-DZGCQCFKSA-N 1 3 313.442 -0.253 20 0 DBADHO C[C@H](O)C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001098450614 826486107 /nfs/dbraw/zinc/48/61/07/826486107.db2.gz CSSGJAWRHQUEIY-DZGCQCFKSA-N 1 3 313.442 -0.253 20 0 DBADHO CC[C@@H](C(=O)N1CCC([N@H+](CCO)C[C@H](C)O)CC1)N(C)C ZINC001098479985 826490378 /nfs/dbraw/zinc/49/03/78/826490378.db2.gz KJVDSJFOIPXECN-ZFWWWQNUSA-N 1 3 315.458 -0.007 20 0 DBADHO CC[C@@H](C(=O)N1CCC([N@@H+](CCO)C[C@H](C)O)CC1)N(C)C ZINC001098479985 826490383 /nfs/dbraw/zinc/49/03/83/826490383.db2.gz KJVDSJFOIPXECN-ZFWWWQNUSA-N 1 3 315.458 -0.007 20 0 DBADHO C[NH+]1CCC(C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)CC1 ZINC001274330874 833064388 /nfs/dbraw/zinc/06/43/88/833064388.db2.gz HAXCONOIAAORPQ-BAABZTOOSA-N 1 3 308.426 -0.131 20 0 DBADHO C[NH+]1CCC(C(=O)NC/C=C/CN[C@H]2CCCNC2=O)CC1 ZINC001274330875 833064633 /nfs/dbraw/zinc/06/46/33/833064633.db2.gz HAXCONOIAAORPQ-HSWBROFVSA-N 1 3 308.426 -0.131 20 0 DBADHO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529402 826569410 /nfs/dbraw/zinc/56/94/10/826569410.db2.gz PJPAMNLIUVNNBP-YJNKXOJESA-N 1 3 322.453 -0.147 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099894126 826716626 /nfs/dbraw/zinc/71/66/26/826716626.db2.gz FUTXWLRRAYFCJE-QWHCGFSZSA-N 1 3 301.431 -0.350 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001099894126 826716628 /nfs/dbraw/zinc/71/66/28/826716628.db2.gz FUTXWLRRAYFCJE-QWHCGFSZSA-N 1 3 301.431 -0.350 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001099894439 826717009 /nfs/dbraw/zinc/71/70/09/826717009.db2.gz KZHQUDYXYVDGLN-STQMWFEESA-N 1 3 301.431 -0.086 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001099894439 826717020 /nfs/dbraw/zinc/71/70/20/826717020.db2.gz KZHQUDYXYVDGLN-STQMWFEESA-N 1 3 301.431 -0.086 20 0 DBADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100076366 826829027 /nfs/dbraw/zinc/82/90/27/826829027.db2.gz KGPJYPUUYVWCRX-KGLIPLIRSA-N 1 3 301.431 -0.348 20 0 DBADHO COCCN1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076539 826829134 /nfs/dbraw/zinc/82/91/34/826829134.db2.gz MXOMRFHVIWGCJY-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO COCCN1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100076540 826829367 /nfs/dbraw/zinc/82/93/67/826829367.db2.gz MXOMRFHVIWGCJY-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100082921 826835837 /nfs/dbraw/zinc/83/58/37/826835837.db2.gz KCAQKLMVXLIFAF-KGLIPLIRSA-N 1 3 301.431 -0.348 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100082921 826835841 /nfs/dbraw/zinc/83/58/41/826835841.db2.gz KCAQKLMVXLIFAF-KGLIPLIRSA-N 1 3 301.431 -0.348 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100125011 826876905 /nfs/dbraw/zinc/87/69/05/826876905.db2.gz QLBSAQSIQGZPOS-LSDHHAIUSA-N 1 3 313.442 -0.204 20 0 DBADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100127788 826878661 /nfs/dbraw/zinc/87/86/61/826878661.db2.gz YVCHVKWKEMKPIF-HUUCEWRRSA-N 1 3 313.442 -0.204 20 0 DBADHO COC[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872021 833121971 /nfs/dbraw/zinc/12/19/71/833121971.db2.gz DFNGKCLGSHGRRB-RXFTYZNJSA-N 1 3 311.426 -0.020 20 0 DBADHO COCC[NH2+]C1CC(CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001100523164 826978915 /nfs/dbraw/zinc/97/89/15/826978915.db2.gz VTUUJPRYSADXSP-RDVIWEACSA-N 1 3 323.437 -0.020 20 0 DBADHO CCN(CC)CC(=O)NCC1CC([NH2+]C[C@@H](O)COC)C1 ZINC001100769525 827019919 /nfs/dbraw/zinc/01/99/19/827019919.db2.gz OHLXGFNATHKDQE-JXQTWKCFSA-N 1 3 301.431 -0.180 20 0 DBADHO COCOCCCN1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001274934600 833141230 /nfs/dbraw/zinc/14/12/30/833141230.db2.gz CBSPJBLTQHBSBD-CABCVRRESA-N 1 3 301.431 -0.056 20 0 DBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001101039225 827065351 /nfs/dbraw/zinc/06/53/51/827065351.db2.gz BMMPBGKUNFEWGE-UHFFFAOYSA-N 1 3 319.471 -0.144 20 0 DBADHO COCCN1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001274981582 833144410 /nfs/dbraw/zinc/14/44/10/833144410.db2.gz NPRFMUKLVYIRKS-MRXNPFEDSA-N 1 3 312.458 -0.149 20 0 DBADHO C[NH+](C)CCN1CCO[C@@]2(CCCN(C[C@H]3CCC(=O)N3)C2)C1 ZINC001275188262 833157213 /nfs/dbraw/zinc/15/72/13/833157213.db2.gz NOSGTXBAKVSZEX-WBVHZDCISA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@H]4CCC(=O)N4)CC3)[C@H]2C1 ZINC001275187475 833157561 /nfs/dbraw/zinc/15/75/61/833157561.db2.gz QOBMIUWRIAELSO-AGIUHOORSA-N 1 3 306.410 -0.593 20 0 DBADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@H]4CCC(=O)N4)CC3)[C@H]2C1 ZINC001275187475 833157564 /nfs/dbraw/zinc/15/75/64/833157564.db2.gz QOBMIUWRIAELSO-AGIUHOORSA-N 1 3 306.410 -0.593 20 0 DBADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513281 827219357 /nfs/dbraw/zinc/21/93/57/827219357.db2.gz CUBYVEIIPMSQMX-FRRDWIJNSA-N 1 3 314.430 -0.878 20 0 DBADHO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087610 827264823 /nfs/dbraw/zinc/26/48/23/827264823.db2.gz JUMLJFICHPMKNZ-UXIGCNINSA-N 1 3 310.442 -0.114 20 0 DBADHO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001103087610 827264831 /nfs/dbraw/zinc/26/48/31/827264831.db2.gz JUMLJFICHPMKNZ-UXIGCNINSA-N 1 3 310.442 -0.114 20 0 DBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)COCC[NH+](C)C ZINC001103642273 827293252 /nfs/dbraw/zinc/29/32/52/827293252.db2.gz XMIKZZPINOECBE-CHWSQXEVSA-N 1 3 314.430 -0.876 20 0 DBADHO CN(CCC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCCN1C ZINC001275914953 833221164 /nfs/dbraw/zinc/22/11/64/833221164.db2.gz IEJULIAUEVXUFL-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001106705007 827669783 /nfs/dbraw/zinc/66/97/83/827669783.db2.gz NBNZYMGQANOLJH-VXGBXAGGSA-N 1 3 319.409 -0.085 20 0 DBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)N(C)C ZINC001166010213 833263450 /nfs/dbraw/zinc/26/34/50/833263450.db2.gz LMDPNRGWYFNAFR-CYBMUJFWSA-N 1 3 313.446 -0.306 20 0 DBADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(=O)NC(N)=O ZINC001166627101 833276781 /nfs/dbraw/zinc/27/67/81/833276781.db2.gz PWEPNYZTMXYIEN-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001166645788 833277143 /nfs/dbraw/zinc/27/71/43/833277143.db2.gz UJKYFDDJDUNZAF-ZDUSSCGKSA-N 1 3 324.425 -0.284 20 0 DBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001166677319 833277425 /nfs/dbraw/zinc/27/74/25/833277425.db2.gz HPIURQZLUIBFTH-WDEREUQCSA-N 1 3 313.402 -0.993 20 0 DBADHO COC[C@@H](O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764933 833280716 /nfs/dbraw/zinc/28/07/16/833280716.db2.gz ONMUXKURALZADS-ZDUSSCGKSA-N 1 3 301.431 -0.179 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)N(C)C ZINC001166858742 833283861 /nfs/dbraw/zinc/28/38/61/833283861.db2.gz ZMJMOMSRPBIAJU-LBPRGKRZSA-N 1 3 322.475 -0.686 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C ZINC001166852945 833283951 /nfs/dbraw/zinc/28/39/51/833283951.db2.gz ZTMGUGOTDNWYKE-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO N=C(NCCCC[NH3+])Nc1ccc(S(N)(=O)=O)c(F)n1 ZINC001167881045 833312374 /nfs/dbraw/zinc/31/23/74/833312374.db2.gz VQNQMIANJBRGIY-UHFFFAOYSA-N 1 3 304.351 -0.457 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001168754841 833327995 /nfs/dbraw/zinc/32/79/95/833327995.db2.gz CMUYPKTVJKQTMA-CYBMUJFWSA-N 1 3 319.471 -0.141 20 0 DBADHO Cn1nncc1CNCCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541306 833341864 /nfs/dbraw/zinc/34/18/64/833341864.db2.gz IFGHLLBUJMMQDD-UHFFFAOYSA-N 1 3 324.429 -0.478 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001170210667 833349079 /nfs/dbraw/zinc/34/90/79/833349079.db2.gz GIQJIWIJJPFYJM-UHFFFAOYSA-N 1 3 322.413 -0.147 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001170210667 833349080 /nfs/dbraw/zinc/34/90/80/833349080.db2.gz GIQJIWIJJPFYJM-UHFFFAOYSA-N 1 3 322.413 -0.147 20 0 DBADHO OC[C@H]1C[NH2+]C[C@H]1Nc1cncc(OCCN2CCCC2)n1 ZINC001170778394 833359905 /nfs/dbraw/zinc/35/99/05/833359905.db2.gz UEJANGRTBFVEGD-CHWSQXEVSA-N 1 3 307.398 -0.057 20 0 DBADHO OC[C@H]1C[NH2+]C[C@@H]1Nc1cncc(OCCN2CCCC2)n1 ZINC001170778412 833359967 /nfs/dbraw/zinc/35/99/67/833359967.db2.gz UEJANGRTBFVEGD-OLZOCXBDSA-N 1 3 307.398 -0.057 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001171770645 833374548 /nfs/dbraw/zinc/37/45/48/833374548.db2.gz WGXMVYURUBMVBZ-JTQLQIEISA-N 1 3 301.391 -0.993 20 0 DBADHO Cc1cc(CNCCCNC(=O)COCC[NH+](C)C)nn1C ZINC001171205211 833367394 /nfs/dbraw/zinc/36/73/94/833367394.db2.gz QPXKDEWMLMEJLB-UHFFFAOYSA-N 1 3 311.430 -0.097 20 0 DBADHO Cc1cc(CNCCCNC(=O)COCC[NH+](C)C)ncn1 ZINC001171205141 833367559 /nfs/dbraw/zinc/36/75/59/833367559.db2.gz NKAOHEQBNQQBIH-UHFFFAOYSA-N 1 3 309.414 -0.041 20 0 DBADHO CCOC(=O)CNC(=O)C[NH2+]C1CCN(CCCOC)CC1 ZINC001172244735 833376557 /nfs/dbraw/zinc/37/65/57/833376557.db2.gz JPDYLJQSUCFKDM-UHFFFAOYSA-N 1 3 315.414 -0.244 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCC(=O)Nc2ccon2)C1 ZINC001176063279 833399420 /nfs/dbraw/zinc/39/94/20/833399420.db2.gz AQURASDQOBLJRC-LLVKDONJSA-N 1 3 309.370 -0.339 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCC(=O)Nc2ccon2)C1 ZINC001176063279 833399421 /nfs/dbraw/zinc/39/94/21/833399421.db2.gz AQURASDQOBLJRC-LLVKDONJSA-N 1 3 309.370 -0.339 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)on1 ZINC001176071607 833399907 /nfs/dbraw/zinc/39/99/07/833399907.db2.gz GSFKEFCVLOSNMI-GFCCVEGCSA-N 1 3 323.397 -0.031 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)on1 ZINC001176071607 833399909 /nfs/dbraw/zinc/39/99/09/833399909.db2.gz GSFKEFCVLOSNMI-GFCCVEGCSA-N 1 3 323.397 -0.031 20 0 DBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCNCc1cnon1 ZINC001176160428 833401634 /nfs/dbraw/zinc/40/16/34/833401634.db2.gz FCYQCDKSCXJUTF-GFCCVEGCSA-N 1 3 311.386 -0.366 20 0 DBADHO [NH3+]CCCOCCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001120638089 829400933 /nfs/dbraw/zinc/40/09/33/829400933.db2.gz HEXHECVFZXEAAF-ZIAGYGMSSA-N 1 3 314.430 -0.408 20 0 DBADHO CN(CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)C1CCC1 ZINC001121245479 829452907 /nfs/dbraw/zinc/45/29/07/829452907.db2.gz GNCFJSVFEWHLTN-UHFFFAOYSA-N 1 3 308.426 -0.027 20 0 DBADHO C[C@H]([NH3+])C1(C(=O)NCCCN2CCN(C)CC2)CCOCC1 ZINC001122009515 829539422 /nfs/dbraw/zinc/53/94/22/829539422.db2.gz RRFYYNDRIUNSBN-AWEZNQCLSA-N 1 3 312.458 -0.116 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001176972050 833442629 /nfs/dbraw/zinc/44/26/29/833442629.db2.gz MCNFGYZNVNOVJL-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975442 833442920 /nfs/dbraw/zinc/44/29/20/833442920.db2.gz RCHVVCDYHGIJCM-AWEZNQCLSA-N 1 3 319.446 -0.554 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001179987302 833565558 /nfs/dbraw/zinc/56/55/58/833565558.db2.gz PJYWVXDIRLTFEN-RWMBFGLXSA-N 1 3 324.425 -0.288 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C ZINC001179987428 833565657 /nfs/dbraw/zinc/56/56/57/833565657.db2.gz WGWQYDJFPSLFMK-IHRRRGAJSA-N 1 3 301.431 -0.086 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC1 ZINC001127256785 829997744 /nfs/dbraw/zinc/99/77/44/829997744.db2.gz RUYJIRLZKARXTQ-KBPBESRZSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)N1CCC1 ZINC001127256785 829997746 /nfs/dbraw/zinc/99/77/46/829997746.db2.gz RUYJIRLZKARXTQ-KBPBESRZSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC1CC1 ZINC001127475624 830014833 /nfs/dbraw/zinc/01/48/33/830014833.db2.gz XKHCGSMNAGDOHQ-CQSZACIVSA-N 1 3 308.426 -0.440 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC1 ZINC001127760432 830026868 /nfs/dbraw/zinc/02/68/68/830026868.db2.gz KRIQWBJTBWEADE-KGLIPLIRSA-N 1 3 324.425 -0.822 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCC1 ZINC001127760432 830026877 /nfs/dbraw/zinc/02/68/77/830026877.db2.gz KRIQWBJTBWEADE-KGLIPLIRSA-N 1 3 324.425 -0.822 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778449 830029228 /nfs/dbraw/zinc/02/92/28/830029228.db2.gz FGJOERSSTHJBOD-OLZOCXBDSA-N 1 3 312.414 -0.918 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778449 830029235 /nfs/dbraw/zinc/02/92/35/830029235.db2.gz FGJOERSSTHJBOD-OLZOCXBDSA-N 1 3 312.414 -0.918 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780251 830030998 /nfs/dbraw/zinc/03/09/98/830030998.db2.gz XTWNHQWSNXZXGQ-KGLIPLIRSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780251 830031001 /nfs/dbraw/zinc/03/10/01/830031001.db2.gz XTWNHQWSNXZXGQ-KGLIPLIRSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780252 830031290 /nfs/dbraw/zinc/03/12/90/830031290.db2.gz XTWNHQWSNXZXGQ-UONOGXRCSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780252 830031295 /nfs/dbraw/zinc/03/12/95/830031295.db2.gz XTWNHQWSNXZXGQ-UONOGXRCSA-N 1 3 307.398 -0.511 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001128540501 830095510 /nfs/dbraw/zinc/09/55/10/830095510.db2.gz XFLKPADBONKOKB-VXGBXAGGSA-N 1 3 304.410 -0.151 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001128533869 830096102 /nfs/dbraw/zinc/09/61/02/830096102.db2.gz RZWZCSSZFFGURK-OLZOCXBDSA-N 1 3 316.421 -0.007 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001128540499 830096168 /nfs/dbraw/zinc/09/61/68/830096168.db2.gz XFLKPADBONKOKB-NWDGAFQWSA-N 1 3 304.410 -0.151 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001128783104 830130485 /nfs/dbraw/zinc/13/04/85/830130485.db2.gz FOBATEUZWAZWCP-NEPJUHHUSA-N 1 3 310.398 -0.628 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001128783104 830130488 /nfs/dbraw/zinc/13/04/88/830130488.db2.gz FOBATEUZWAZWCP-NEPJUHHUSA-N 1 3 310.398 -0.628 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129363498 830175221 /nfs/dbraw/zinc/17/52/21/830175221.db2.gz HVPXXSUSYNGSRH-WCQYABFASA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1)C(N)=O ZINC001129363498 830175226 /nfs/dbraw/zinc/17/52/26/830175226.db2.gz HVPXXSUSYNGSRH-WCQYABFASA-N 1 3 312.414 -0.791 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)C1CC1 ZINC001129444697 830181383 /nfs/dbraw/zinc/18/13/83/830181383.db2.gz XHXLFIZHCZDLCR-OCCSQVGLSA-N 1 3 306.414 -0.189 20 0 DBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NCc1ccco1)C1CC1 ZINC001129437219 830181732 /nfs/dbraw/zinc/18/17/32/830181732.db2.gz XXKMBIJURYMHKQ-OAHLLOKOSA-N 1 3 322.409 -0.058 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129443000 830181837 /nfs/dbraw/zinc/18/18/37/830181837.db2.gz GOBGFZJUHODFHP-CQSZACIVSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001129442779 830181875 /nfs/dbraw/zinc/18/18/75/830181875.db2.gz GCQMATJDFYUHJJ-GFCCVEGCSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)CS(C)(=O)=O ZINC001129450361 830182085 /nfs/dbraw/zinc/18/20/85/830182085.db2.gz ZLGYHZOVEGMUSO-WCQYABFASA-N 1 3 319.471 -0.287 20 0 DBADHO CN(CC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001129531638 830187308 /nfs/dbraw/zinc/18/73/08/830187308.db2.gz CWCHATKLYMPGSI-GFCCVEGCSA-N 1 3 317.455 -0.389 20 0 DBADHO CN(CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)C1CCC1 ZINC001129535586 830188144 /nfs/dbraw/zinc/18/81/44/830188144.db2.gz XMTWBVOBOLQPBK-AWEZNQCLSA-N 1 3 309.414 -0.566 20 0 DBADHO CC(C)[C@@H](C(=O)NCCNCCN(C)S(C)(=O)=O)[NH+](C)C ZINC001129947083 830231424 /nfs/dbraw/zinc/23/14/24/830231424.db2.gz JJFVJGWYMVNXFM-LBPRGKRZSA-N 1 3 322.475 -0.830 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)N(C)C ZINC001129954092 830234851 /nfs/dbraw/zinc/23/48/51/830234851.db2.gz YJHVAYJNZCQCOK-KGLIPLIRSA-N 1 3 311.430 -0.464 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130047514 830252781 /nfs/dbraw/zinc/25/27/81/830252781.db2.gz FFURMLITCJBQOH-KGLIPLIRSA-N 1 3 324.429 -0.656 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107730 830263699 /nfs/dbraw/zinc/26/36/99/830263699.db2.gz XZVYOWAGRDQGTL-MJBXVCDLSA-N 1 3 324.429 -0.658 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1)N(C)C ZINC001130203371 830280922 /nfs/dbraw/zinc/28/09/22/830280922.db2.gz JNKIVRYLXNZFBZ-CYBMUJFWSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)N(C)C ZINC001130202993 830281033 /nfs/dbraw/zinc/28/10/33/830281033.db2.gz DJXGEVCNZIMZBQ-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C ZINC001130203833 830281121 /nfs/dbraw/zinc/28/11/21/830281121.db2.gz YQLYFMYUUTXXGH-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CCCNS(=O)(=O)CC)N(C)C ZINC001130203757 830281241 /nfs/dbraw/zinc/28/12/41/830281241.db2.gz WOPYSUZGOJELPT-GFCCVEGCSA-N 1 3 322.475 -0.638 20 0 DBADHO CCNC(=O)NC(=O)CNCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001130419015 830318904 /nfs/dbraw/zinc/31/89/04/830318904.db2.gz HOXBDMMKSFJOTK-UHFFFAOYSA-N 1 3 315.418 -0.732 20 0 DBADHO CCNC(=O)NC(=O)CNCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419015 830318912 /nfs/dbraw/zinc/31/89/12/830318912.db2.gz HOXBDMMKSFJOTK-UHFFFAOYSA-N 1 3 315.418 -0.732 20 0 DBADHO CN(CCC(=O)NCCN[C@@H]1CCCNC1=O)c1cc[nH+]cc1 ZINC001130556777 830341854 /nfs/dbraw/zinc/34/18/54/830341854.db2.gz XVROYKGXJHKQQU-CQSZACIVSA-N 1 3 319.409 -0.108 20 0 DBADHO CN(CCC(=O)NCCN[C@H]1CCN(C)C1=O)c1cc[nH+]cc1 ZINC001130558783 830341995 /nfs/dbraw/zinc/34/19/95/830341995.db2.gz OSFRGTZCMTWWKH-AWEZNQCLSA-N 1 3 319.409 -0.156 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520306 830478795 /nfs/dbraw/zinc/47/87/95/830478795.db2.gz XEEYOJQVPZTJNS-MFOWVQHXSA-N 1 3 324.425 -0.920 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520306 830478798 /nfs/dbraw/zinc/47/87/98/830478798.db2.gz XEEYOJQVPZTJNS-MFOWVQHXSA-N 1 3 324.425 -0.920 20 0 DBADHO O=C(NCC[NH2+]C[C@@H]1CCOC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521930 830480783 /nfs/dbraw/zinc/48/07/83/830480783.db2.gz MGWSPPCIGNYXQV-REWIBIJMSA-N 1 3 309.410 -0.408 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135208 830746176 /nfs/dbraw/zinc/74/61/76/830746176.db2.gz NJRDKEUANDGZCA-VXGBXAGGSA-N 1 3 307.398 -0.228 20 0 DBADHO C[NH+](C)CCC(=O)NCCN[C@@H]1CCN(CC(F)(F)F)C1=O ZINC001133290788 830762886 /nfs/dbraw/zinc/76/28/86/830762886.db2.gz CEXDAXMIZJHHDK-SNVBAGLBSA-N 1 3 324.347 -0.193 20 0 DBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NCC(F)(F)F)CC1 ZINC001133285872 830763099 /nfs/dbraw/zinc/76/30/99/830763099.db2.gz MCVQTVUNNWMPCK-UHFFFAOYSA-N 1 3 324.347 -0.288 20 0 DBADHO CCCCNC(=O)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133294526 830764475 /nfs/dbraw/zinc/76/44/75/830764475.db2.gz MFCMAGUCSJSDEO-UHFFFAOYSA-N 1 3 315.418 -0.730 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133418718 830774412 /nfs/dbraw/zinc/77/44/12/830774412.db2.gz DWRYTEFIMMWTAQ-CYBMUJFWSA-N 1 3 315.462 -0.014 20 0 DBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415591 830774738 /nfs/dbraw/zinc/77/47/38/830774738.db2.gz FSAKTBKGSVSJOT-GFCCVEGCSA-N 1 3 315.418 -0.876 20 0 DBADHO CC(C)[C@H](C(=O)NCCNCCN(C)S(C)(=O)=O)[NH+](C)C ZINC001133415660 830774785 /nfs/dbraw/zinc/77/47/85/830774785.db2.gz JJFVJGWYMVNXFM-GFCCVEGCSA-N 1 3 322.475 -0.830 20 0 DBADHO CC[C@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)[NH+](CC)CC ZINC001133690072 830810771 /nfs/dbraw/zinc/81/07/71/830810771.db2.gz HMSXWJZYKOLOPZ-WDEREUQCSA-N 1 3 315.418 -0.604 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133819644 830831372 /nfs/dbraw/zinc/83/13/72/830831372.db2.gz KAMMCLKIYGYCIU-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133819644 830831383 /nfs/dbraw/zinc/83/13/83/830831383.db2.gz KAMMCLKIYGYCIU-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133824108 830832634 /nfs/dbraw/zinc/83/26/34/830832634.db2.gz XTVPEBSDLHKRPB-UONOGXRCSA-N 1 3 317.430 -0.800 20 0 DBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133831170 830834174 /nfs/dbraw/zinc/83/41/74/830834174.db2.gz IUANZECEVSGWBT-JTQLQIEISA-N 1 3 324.347 -0.145 20 0 DBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133831170 830834180 /nfs/dbraw/zinc/83/41/80/830834180.db2.gz IUANZECEVSGWBT-JTQLQIEISA-N 1 3 324.347 -0.145 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001133834055 830834415 /nfs/dbraw/zinc/83/44/15/830834415.db2.gz MTLIGIWKZSQEHF-ZIAGYGMSSA-N 1 3 309.414 -0.566 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845900 830838288 /nfs/dbraw/zinc/83/82/88/830838288.db2.gz PUWIEPJXUQUADC-KBPBESRZSA-N 1 3 317.430 -0.942 20 0 DBADHO CN(C)C(=O)CNCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133851171 830839308 /nfs/dbraw/zinc/83/93/08/830839308.db2.gz YECBYZWVIOTUKM-OAHLLOKOSA-N 1 3 316.421 -0.007 20 0 DBADHO CN(C)C(=O)CNCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133851171 830839316 /nfs/dbraw/zinc/83/93/16/830839316.db2.gz YECBYZWVIOTUKM-OAHLLOKOSA-N 1 3 316.421 -0.007 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001133851246 830840015 /nfs/dbraw/zinc/84/00/15/830840015.db2.gz ZXHJIKGKDGAXRI-KGLIPLIRSA-N 1 3 309.414 -0.708 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133853290 830840175 /nfs/dbraw/zinc/84/01/75/830840175.db2.gz ICECEZNXYJLPEI-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133853290 830840182 /nfs/dbraw/zinc/84/01/82/830840182.db2.gz ICECEZNXYJLPEI-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001133866181 830842702 /nfs/dbraw/zinc/84/27/02/830842702.db2.gz JTLZSGIJFOLABO-OCCSQVGLSA-N 1 3 310.442 -0.194 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001133866181 830842711 /nfs/dbraw/zinc/84/27/11/830842711.db2.gz JTLZSGIJFOLABO-OCCSQVGLSA-N 1 3 310.442 -0.194 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133867386 830843351 /nfs/dbraw/zinc/84/33/51/830843351.db2.gz TXINFKQLSDCSKX-STQMWFEESA-N 1 3 314.430 -0.957 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867386 830843359 /nfs/dbraw/zinc/84/33/59/830843359.db2.gz TXINFKQLSDCSKX-STQMWFEESA-N 1 3 314.430 -0.957 20 0 DBADHO C[C@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001133896856 830851183 /nfs/dbraw/zinc/85/11/83/830851183.db2.gz SHRRAXLFGYEUIJ-JTQLQIEISA-N 1 3 313.402 -0.993 20 0 DBADHO CN(CC(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001133905463 830852362 /nfs/dbraw/zinc/85/23/62/830852362.db2.gz AVEVUMPAOJDUBG-LLVKDONJSA-N 1 3 312.414 -0.525 20 0 DBADHO CC[C@@H](NCCNC(=O)COC[C@@H](C)[NH+]1CCCC1)C(N)=O ZINC001134021097 830876316 /nfs/dbraw/zinc/87/63/16/830876316.db2.gz RFFRDVUOHNSCTJ-CHWSQXEVSA-N 1 3 314.430 -0.543 20 0 DBADHO C[C@H](COCC(=O)NCCNCC(=O)N(C)C)[NH+]1CCCC1 ZINC001134020509 830877127 /nfs/dbraw/zinc/87/71/27/830877127.db2.gz CPTZOMPEQXFQRK-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC(C)N1CCCC[C@H]1C(=O)NCC[NH2+]CCOCCO ZINC001134763239 830976003 /nfs/dbraw/zinc/97/60/03/830976003.db2.gz QLFRVPONICKJML-AWEZNQCLSA-N 1 3 301.431 -0.036 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001135510878 831079596 /nfs/dbraw/zinc/07/95/96/831079596.db2.gz HDVRZMJKUYWUPP-CYBMUJFWSA-N 1 3 319.471 -0.141 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001135511634 831080327 /nfs/dbraw/zinc/08/03/27/831080327.db2.gz WNDCXEHTPKLOGL-KBPBESRZSA-N 1 3 319.446 -0.554 20 0 DBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551380 833763111 /nfs/dbraw/zinc/76/31/11/833763111.db2.gz MBEDBEGPCZAQRZ-HIFRSBDPSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1 ZINC001146383113 831279059 /nfs/dbraw/zinc/27/90/59/831279059.db2.gz CPMNMYINJUNOSJ-ZDUSSCGKSA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146592335 831285587 /nfs/dbraw/zinc/28/55/87/831285587.db2.gz JUZUHPURJBFTNV-GHMZBOCLSA-N 1 3 315.418 -0.606 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCCCOC ZINC001146710254 831292833 /nfs/dbraw/zinc/29/28/33/831292833.db2.gz IIOIUVKFMPJCRM-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NCCCOC ZINC001146710254 831292840 /nfs/dbraw/zinc/29/28/40/831292840.db2.gz IIOIUVKFMPJCRM-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO Cn1ncnc1C(=O)N1CC2(CN(CC3CC[NH+](C)CC3)C2)C1 ZINC001276696274 833450848 /nfs/dbraw/zinc/45/08/48/833450848.db2.gz KWUUVUAHPJVBGK-UHFFFAOYSA-N 1 3 318.425 -0.085 20 0 DBADHO CCCCNC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842306 831411196 /nfs/dbraw/zinc/41/11/96/831411196.db2.gz QUYITZYOLYCEKC-UHFFFAOYSA-N 1 3 302.419 -0.813 20 0 DBADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842128 831411398 /nfs/dbraw/zinc/41/13/98/831411398.db2.gz OGGRUFPVRALREY-CYBMUJFWSA-N 1 3 316.446 -0.569 20 0 DBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)N1CCCCC1 ZINC001147970664 831420586 /nfs/dbraw/zinc/42/05/86/831420586.db2.gz ODWAAGRWFYQECB-UHFFFAOYSA-N 1 3 308.426 -0.200 20 0 DBADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977337 831420763 /nfs/dbraw/zinc/42/07/63/831420763.db2.gz OTPVQPUSZKTCOA-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001148578250 831463836 /nfs/dbraw/zinc/46/38/36/831463836.db2.gz SADVOFUBZMQQFG-JTQLQIEISA-N 1 3 301.391 -0.993 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001148578250 831463838 /nfs/dbraw/zinc/46/38/38/831463838.db2.gz SADVOFUBZMQQFG-JTQLQIEISA-N 1 3 301.391 -0.993 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001148578254 831464231 /nfs/dbraw/zinc/46/42/31/831464231.db2.gz SADVOFUBZMQQFG-SNVBAGLBSA-N 1 3 301.391 -0.993 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001148578254 831464235 /nfs/dbraw/zinc/46/42/35/831464235.db2.gz SADVOFUBZMQQFG-SNVBAGLBSA-N 1 3 301.391 -0.993 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001148638672 831468167 /nfs/dbraw/zinc/46/81/67/831468167.db2.gz MNTAARXHKRIZGX-ZDUSSCGKSA-N 1 3 314.430 -0.983 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148840049 831475426 /nfs/dbraw/zinc/47/54/26/831475426.db2.gz ZNDSCHCLPOWMQO-AWEZNQCLSA-N 1 3 313.442 -0.132 20 0 DBADHO COC[C@@H](O)C[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148840049 831475428 /nfs/dbraw/zinc/47/54/28/831475428.db2.gz ZNDSCHCLPOWMQO-AWEZNQCLSA-N 1 3 313.442 -0.132 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H]1CN(CCO)CCCO1)[NH+](C)C ZINC001150291863 831605453 /nfs/dbraw/zinc/60/54/53/831605453.db2.gz PHGPIKDTSCQHTC-UONOGXRCSA-N 1 3 301.431 -0.228 20 0 DBADHO CCC[N@H+](C)CCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150625691 831635624 /nfs/dbraw/zinc/63/56/24/831635624.db2.gz OIGBULYMAQDQII-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150625691 831635627 /nfs/dbraw/zinc/63/56/27/831635627.db2.gz OIGBULYMAQDQII-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(C2CC2)C2CC2)C1 ZINC001151049337 831661345 /nfs/dbraw/zinc/66/13/45/831661345.db2.gz MHJZYANFQXYHMK-CQSZACIVSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NC(C2CC2)C2CC2)C1 ZINC001151049337 831661348 /nfs/dbraw/zinc/66/13/48/831661348.db2.gz MHJZYANFQXYHMK-CQSZACIVSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001151066474 831662117 /nfs/dbraw/zinc/66/21/17/831662117.db2.gz VEQKOFLDEKMTMT-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001151066474 831662121 /nfs/dbraw/zinc/66/21/21/831662121.db2.gz VEQKOFLDEKMTMT-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152145382 831728530 /nfs/dbraw/zinc/72/85/30/831728530.db2.gz BWVMVSGQYKJEMN-QWRGUYRKSA-N 1 3 313.402 -0.979 20 0 DBADHO O=C(CCC[NH+]1CCCC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001152223769 831735122 /nfs/dbraw/zinc/73/51/22/831735122.db2.gz OFQSORPFHJFNMU-GFCCVEGCSA-N 1 3 310.398 -0.627 20 0 DBADHO O=C(CCC[NH+]1CCCC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001152223771 831735394 /nfs/dbraw/zinc/73/53/94/831735394.db2.gz OFQSORPFHJFNMU-LBPRGKRZSA-N 1 3 310.398 -0.627 20 0 DBADHO C[NH+](C)Cc1cccc(C(=O)NCCN[C@H]2CCNC2=O)c1 ZINC001152246516 831736702 /nfs/dbraw/zinc/73/67/02/831736702.db2.gz ZYQUFMDYTVUHDF-AWEZNQCLSA-N 1 3 304.394 -0.044 20 0 DBADHO C[C@@H](NCCNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001152348580 831742237 /nfs/dbraw/zinc/74/22/37/831742237.db2.gz QFIOUOFJRXCKAZ-LLVKDONJSA-N 1 3 313.402 -0.848 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152439215 831749966 /nfs/dbraw/zinc/74/99/66/831749966.db2.gz FOUUKQPBVTWGKS-LLVKDONJSA-N 1 3 315.418 -0.733 20 0 DBADHO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152446025 831751361 /nfs/dbraw/zinc/75/13/61/831751361.db2.gz RHDUMCZCGIJDFE-ZDUSSCGKSA-N 1 3 316.446 -0.426 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001152459138 831752951 /nfs/dbraw/zinc/75/29/51/831752951.db2.gz ZOYAVQRMYQMGEF-VXGBXAGGSA-N 1 3 310.398 -0.628 20 0 DBADHO O=C(CCCC[NH+]1CCCC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001153314910 831801662 /nfs/dbraw/zinc/80/16/62/831801662.db2.gz SCYUMKSOBCNYOP-CYBMUJFWSA-N 1 3 324.425 -0.237 20 0 DBADHO CS(=O)(=O)c1nc2c(c(-n3nccc3CN)n1)CC[NH2+]CC2 ZINC001155124036 831918023 /nfs/dbraw/zinc/91/80/23/831918023.db2.gz RPMQVQDDWIALKD-UHFFFAOYSA-N 1 3 322.394 -0.787 20 0 DBADHO N[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)C[C@H]1F ZINC001157536252 832051444 /nfs/dbraw/zinc/05/14/44/832051444.db2.gz JRXBYYDJSZVCLG-MEQWQQMJSA-N 1 3 318.352 -0.397 20 0 DBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001157843046 832065796 /nfs/dbraw/zinc/06/57/96/832065796.db2.gz OMOAATNSDUQYIA-IJLUTSLNSA-N 1 3 315.439 -0.651 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157935564 832074871 /nfs/dbraw/zinc/07/48/71/832074871.db2.gz DOBKIPBROIOXTC-MELADBBJSA-N 1 3 301.431 -0.316 20 0 DBADHO C[C@]1(CO)CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC[C@@H]1O ZINC001157947784 832078254 /nfs/dbraw/zinc/07/82/54/832078254.db2.gz XJEBNGBIAUZDHH-KCQAQPDRSA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[C@@H]1O ZINC001157947784 832078260 /nfs/dbraw/zinc/07/82/60/832078260.db2.gz XJEBNGBIAUZDHH-KCQAQPDRSA-N 1 3 311.426 -0.548 20 0 DBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158014912 832083565 /nfs/dbraw/zinc/08/35/65/832083565.db2.gz PJGZWYCJONYPIB-SRVKXCTJSA-N 1 3 313.373 -0.027 20 0 DBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158014912 832083571 /nfs/dbraw/zinc/08/35/71/832083571.db2.gz PJGZWYCJONYPIB-SRVKXCTJSA-N 1 3 313.373 -0.027 20 0 DBADHO O=C(c1[nH]nc2c1CNCC2)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158081689 832088207 /nfs/dbraw/zinc/08/82/07/832088207.db2.gz HBOPGDOLFRMKIK-UHFFFAOYSA-N 1 3 305.382 -0.350 20 0 DBADHO O=C([C@@H]1C[C@@H](F)CCN1)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158110688 832091514 /nfs/dbraw/zinc/09/15/14/832091514.db2.gz HUVARHBANJRWAN-ZIBATOQPSA-N 1 3 310.373 -0.985 20 0 DBADHO O=C([C@H]1CNCc2ccnn2C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168316 832095614 /nfs/dbraw/zinc/09/56/14/832095614.db2.gz UECBIRUPPLEXFE-MBNYWOFBSA-N 1 3 305.382 -0.951 20 0 DBADHO CC(=O)NCCCC[C@H](N)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178703 832096158 /nfs/dbraw/zinc/09/61/58/832096158.db2.gz ASLIVFXJXNWZGP-HZSPNIEDSA-N 1 3 312.414 -0.933 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C(N)C(F)(F)F ZINC001158498634 832118271 /nfs/dbraw/zinc/11/82/71/832118271.db2.gz RPKTWCWPPXZSJC-RBXMUDONSA-N 1 3 309.288 -0.372 20 0 DBADHO CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H](N)CSCC[NH3+] ZINC001158535902 832120403 /nfs/dbraw/zinc/12/04/03/832120403.db2.gz YZPPAIIXSJJTBH-OUJBWJOFSA-N 1 3 301.412 -0.440 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158543964 832120822 /nfs/dbraw/zinc/12/08/22/832120822.db2.gz AQWVRBAFNRZDQI-RLEQERJKSA-N 1 3 315.439 -0.938 20 0 DBADHO O=C(c1[nH]nc2c1CNCC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158547680 832121514 /nfs/dbraw/zinc/12/15/14/832121514.db2.gz OYSCOPICRZHFNE-GLKRBJQHSA-N 1 3 317.393 -0.352 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158568686 832122793 /nfs/dbraw/zinc/12/27/93/832122793.db2.gz QSOPCGYFFKYRJI-MXWKQRLJSA-N 1 3 315.393 -0.702 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1cc3c(nn1)CCNC3)CC2 ZINC001158634123 832125828 /nfs/dbraw/zinc/12/58/28/832125828.db2.gz CPHABUOUULZSSG-BBRMVZONSA-N 1 3 317.393 -0.146 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)C[C@H](O)C[NH3+])C2 ZINC001158855106 832141371 /nfs/dbraw/zinc/14/13/71/832141371.db2.gz CHNWJRPGYFZTEL-NSHDSACASA-N 1 3 309.414 -0.156 20 0 DBADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(CCOCCO)C1 ZINC001269355258 832421644 /nfs/dbraw/zinc/42/16/44/832421644.db2.gz FCMZUZIIIIZHDI-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCOCCO)C1 ZINC001269355258 832421648 /nfs/dbraw/zinc/42/16/48/832421648.db2.gz FCMZUZIIIIZHDI-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001270021803 832490590 /nfs/dbraw/zinc/49/05/90/832490590.db2.gz IMRCUGHKDXKQPP-KGLIPLIRSA-N 1 3 323.441 -0.314 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001270021702 832490602 /nfs/dbraw/zinc/49/06/02/832490602.db2.gz IMRCUGHKDXKQPP-KBPBESRZSA-N 1 3 323.441 -0.314 20 0 DBADHO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001270986980 832603023 /nfs/dbraw/zinc/60/30/23/832603023.db2.gz NFILMEBXNQYYKU-NWDGAFQWSA-N 1 3 324.425 -0.288 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271210712 832639768 /nfs/dbraw/zinc/63/97/68/832639768.db2.gz ZVNZKBAWWFNOTG-NEPJUHHUSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271210712 832639769 /nfs/dbraw/zinc/63/97/69/832639769.db2.gz ZVNZKBAWWFNOTG-NEPJUHHUSA-N 1 3 305.444 -0.581 20 0 DBADHO CN1CCC(O)(C(=O)N2C[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)CC1 ZINC001271804809 832703112 /nfs/dbraw/zinc/70/31/12/832703112.db2.gz RDXHBEGCEVGJSM-CABCVRRESA-N 1 3 324.469 -0.463 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1)N(C)C ZINC001271880206 832712575 /nfs/dbraw/zinc/71/25/75/832712575.db2.gz JNIQTNHFFBSURU-ZNMIVQPWSA-N 1 3 313.442 -0.274 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1)N(C)C ZINC001271880206 832712579 /nfs/dbraw/zinc/71/25/79/832712579.db2.gz JNIQTNHFFBSURU-ZNMIVQPWSA-N 1 3 313.442 -0.274 20 0 DBADHO O=C(NCCN1CCC([NH2+]CCCO)CC1)c1[nH]ncc1F ZINC001271925981 832716210 /nfs/dbraw/zinc/71/62/10/832716210.db2.gz WERDQZDHUUMANJ-UHFFFAOYSA-N 1 3 313.377 -0.285 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001272414743 832783833 /nfs/dbraw/zinc/78/38/33/832783833.db2.gz SHNQFGFFFVPGNW-UONOGXRCSA-N 1 3 324.429 -0.782 20 0 DBADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCCO)N1CCCCC1 ZINC001272413874 832783870 /nfs/dbraw/zinc/78/38/70/832783870.db2.gz JAQCBDFQIOXXBK-ZDUSSCGKSA-N 1 3 301.431 -0.300 20 0 DBADHO CN(C)CCN1C[C@]2(CC[N@H+](C[C@H]3CCOC3)C2)OCC1=O ZINC001272508931 832792031 /nfs/dbraw/zinc/79/20/31/832792031.db2.gz RJGPNSNUMSGWGQ-GDBMZVCRSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1C[C@]2(CC[N@@H+](C[C@H]3CCOC3)C2)OCC1=O ZINC001272508931 832792034 /nfs/dbraw/zinc/79/20/34/832792034.db2.gz RJGPNSNUMSGWGQ-GDBMZVCRSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1C[C@@]2(CC[N@H+](C[C@@H]3CCOC3)C2)OCC1=O ZINC001272508933 832792093 /nfs/dbraw/zinc/79/20/93/832792093.db2.gz RJGPNSNUMSGWGQ-HOCLYGCPSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1C[C@@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)OCC1=O ZINC001272508933 832792096 /nfs/dbraw/zinc/79/20/96/832792096.db2.gz RJGPNSNUMSGWGQ-HOCLYGCPSA-N 1 3 311.426 -0.112 20 0 DBADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H](O)C[NH2+]CCO)C1 ZINC001272520738 832793151 /nfs/dbraw/zinc/79/31/51/832793151.db2.gz KCKQNTJKZGGARQ-SMDDNHRTSA-N 1 3 305.394 -0.742 20 0 DBADHO O=C([C@H]1COC2(CNC2)CN1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291391 832802790 /nfs/dbraw/zinc/80/27/90/832802790.db2.gz OFZYBUKSYSJPHD-CQSZACIVSA-N 1 3 320.437 -0.739 20 0 DBADHO O=C([C@H]1COC2(CNC2)CN1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291391 832802798 /nfs/dbraw/zinc/80/27/98/832802798.db2.gz OFZYBUKSYSJPHD-CQSZACIVSA-N 1 3 320.437 -0.739 20 0 DBADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3cn[nH]n3)C2)C1=O ZINC001272570443 832803508 /nfs/dbraw/zinc/80/35/08/832803508.db2.gz SKHCZKLIOBFGTR-HNNXBMFYSA-N 1 3 320.397 -0.293 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001159527505 832824782 /nfs/dbraw/zinc/82/47/82/832824782.db2.gz DAPVJWCDIRVIHT-OWCLPIDISA-N 1 3 315.417 0.000 20 0 DBADHO CN(C)C1(C(=O)NCCC[NH2+]CCS(C)(=O)=O)CCC1 ZINC001159854197 832850898 /nfs/dbraw/zinc/85/08/98/832850898.db2.gz MCBYZUADMJGWOX-UHFFFAOYSA-N 1 3 305.444 -0.389 20 0 DBADHO C[C@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001159860706 832852280 /nfs/dbraw/zinc/85/22/80/832852280.db2.gz CKMZNZAQGZGSGX-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO CN(CC(=O)NCCC[NH2+]CCN1CCNC1=O)C1CCC1 ZINC001159997368 832864376 /nfs/dbraw/zinc/86/43/76/832864376.db2.gz NWAUVDCADARDGU-UHFFFAOYSA-N 1 3 311.430 -0.408 20 0 DBADHO C[C@H]([NH2+]CCCNC(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001160003076 832865241 /nfs/dbraw/zinc/86/52/41/832865241.db2.gz BVGUREJMKGXVER-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001160085700 832873755 /nfs/dbraw/zinc/87/37/55/832873755.db2.gz OTYPOOXIHRGNGQ-QNWHQSFQSA-N 1 3 306.410 -0.976 20 0 DBADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273069570 832874317 /nfs/dbraw/zinc/87/43/17/832874317.db2.gz KFJGPRQLMPCRLT-RRFJBIMHSA-N 1 3 310.442 -0.853 20 0 DBADHO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CC[C@@H](O)C3)[C@@H]2C1 ZINC001273069570 832874329 /nfs/dbraw/zinc/87/43/29/832874329.db2.gz KFJGPRQLMPCRLT-RRFJBIMHSA-N 1 3 310.442 -0.853 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160127676 832876808 /nfs/dbraw/zinc/87/68/08/832876808.db2.gz CVLJPQYGKIRGPU-LBPRGKRZSA-N 1 3 318.381 -0.130 20 0 DBADHO CCOC(=O)[C@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])CCC1=O ZINC001160426554 832901950 /nfs/dbraw/zinc/90/19/50/832901950.db2.gz FOYAMWKUCWNYGM-RYUDHWBXSA-N 1 3 313.398 -0.187 20 0 DBADHO CC[NH+](CC)C1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001160483576 832909619 /nfs/dbraw/zinc/90/96/19/832909619.db2.gz UAYQKPWJGQAMJE-AWEZNQCLSA-N 1 3 310.442 -0.350 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160506961 832912774 /nfs/dbraw/zinc/91/27/74/832912774.db2.gz SKXZTQJOKDPSLT-QWHCGFSZSA-N 1 3 312.414 -0.708 20 0 DBADHO COC(=O)CN1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001160531197 832914047 /nfs/dbraw/zinc/91/40/47/832914047.db2.gz KHUSACGAZRDYHN-ZDUSSCGKSA-N 1 3 314.430 -0.637 20 0 DBADHO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001160539430 832914967 /nfs/dbraw/zinc/91/49/67/832914967.db2.gz SOKHSHUTPITNFO-GHMZBOCLSA-N 1 3 301.354 -0.280 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N ZINC001160539335 832915318 /nfs/dbraw/zinc/91/53/18/832915318.db2.gz QLQKWDCPAWBKMI-NWDGAFQWSA-N 1 3 315.381 -0.269 20 0 DBADHO N[C@@H](C(=O)N1CCN(c2cccnn2)CC1)C1CC[NH2+]CC1 ZINC001160569172 832917179 /nfs/dbraw/zinc/91/71/79/832917179.db2.gz ATYVIZUBOSXYFO-CQSZACIVSA-N 1 3 304.398 -0.548 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(C2CCOCC2)C(=O)C1 ZINC001160635900 832926643 /nfs/dbraw/zinc/92/66/43/832926643.db2.gz DBSCOAOERODMHA-ZDUSSCGKSA-N 1 3 312.414 -0.708 20 0 DBADHO COC(=O)CN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160658209 832931025 /nfs/dbraw/zinc/93/10/25/832931025.db2.gz QOEHMEUCDUAAET-CQSZACIVSA-N 1 3 317.389 -0.003 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160741237 832939018 /nfs/dbraw/zinc/93/90/18/832939018.db2.gz GYMXUZKQKFCOGP-ZDUSSCGKSA-N 1 3 312.414 -0.661 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160761099 832941560 /nfs/dbraw/zinc/94/15/60/832941560.db2.gz VRWJNWKVAPHSJT-AXFHLTTASA-N 1 3 301.337 -0.465 20 0 DBADHO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001160788319 832942429 /nfs/dbraw/zinc/94/24/29/832942429.db2.gz QSYVELMSRWNREN-JOYOIKCWSA-N 1 3 309.370 -0.535 20 0 DBADHO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001160788315 832942462 /nfs/dbraw/zinc/94/24/62/832942462.db2.gz QSYVELMSRWNREN-BXKDBHETSA-N 1 3 309.370 -0.535 20 0 DBADHO CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)CNCCC[NH3+] ZINC001160787800 832942531 /nfs/dbraw/zinc/94/25/31/832942531.db2.gz MAUBDGFCEUQGQL-CYBMUJFWSA-N 1 3 309.370 -0.663 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790019 832943850 /nfs/dbraw/zinc/94/38/50/832943850.db2.gz IHNCJVPTRFWLAL-STQMWFEESA-N 1 3 312.414 -0.885 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCOC[C@@H]1C[NH+](C)C ZINC001160837629 832948559 /nfs/dbraw/zinc/94/85/59/832948559.db2.gz CSAMVYDJZLDJLL-OBJOEFQTSA-N 1 3 314.430 -0.735 20 0 DBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001273710260 832956076 /nfs/dbraw/zinc/95/60/76/832956076.db2.gz ODFQUQXTURMDRX-RYUDHWBXSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C ZINC001160890240 832956799 /nfs/dbraw/zinc/95/67/99/832956799.db2.gz ZTMGUGOTDNWYKE-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CCCN(C)CC(=O)N(CC)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001273716020 832957405 /nfs/dbraw/zinc/95/74/05/832957405.db2.gz DBICCJOUSVOURE-GFCCVEGCSA-N 1 3 312.414 -0.429 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCOC[C@H]1c1cccnc1 ZINC001160950818 832961009 /nfs/dbraw/zinc/96/10/09/832961009.db2.gz HOAHJHYNVDGHRA-KBPBESRZSA-N 1 3 302.378 -0.210 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001160962613 832962239 /nfs/dbraw/zinc/96/22/39/832962239.db2.gz DLAAKMKFXSHCIE-CQJJVWNLSA-N 1 3 310.442 -0.114 20 0 DBADHO O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000107 832964305 /nfs/dbraw/zinc/96/43/05/832964305.db2.gz PUJITELBNQMOBZ-IJEWVQPXSA-N 1 3 323.437 -0.140 20 0 DBADHO O=C(c1[nH]nc2c1CNCC2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161010924 832964842 /nfs/dbraw/zinc/96/48/42/832964842.db2.gz NPNGSPNXBWMESZ-LBPRGKRZSA-N 1 3 305.382 -0.616 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N2CC(O)([C@@H]3CCCC[NH2+]3)C2)C1=O ZINC001161008538 832965021 /nfs/dbraw/zinc/96/50/21/832965021.db2.gz PSLAZMALXWKCLC-STQMWFEESA-N 1 3 324.425 -0.958 20 0 DBADHO COc1cc(N2CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)ncn1 ZINC001161093866 832976468 /nfs/dbraw/zinc/97/64/68/832976468.db2.gz ZFDMCGVLMWIJFT-LBPRGKRZSA-N 1 3 322.413 -0.410 20 0 DBADHO O=C(N1Cc2ccnn2CC[C@H]1CO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161172428 832988758 /nfs/dbraw/zinc/98/87/58/832988758.db2.gz UKSDUVDDTJIOEI-IVMMDQJWSA-N 1 3 319.409 -0.825 20 0 DBADHO CC(C)(O)CCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001161174709 832988843 /nfs/dbraw/zinc/98/88/43/832988843.db2.gz CXCHRIKAECRYAA-RHSMWYFYSA-N 1 3 324.469 -0.509 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001178814451 833525266 /nfs/dbraw/zinc/52/52/66/833525266.db2.gz SFLLIMNLNTYFAM-SRVKXCTJSA-N 1 3 302.394 -0.269 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001178813254 833525461 /nfs/dbraw/zinc/52/54/61/833525461.db2.gz DICJXBZZAOPGOU-XQQFMLRXSA-N 1 3 316.421 -0.009 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCOCCO)[C@@H]2C)C1 ZINC001179539234 833549892 /nfs/dbraw/zinc/54/98/92/833549892.db2.gz RTUROEKNRGGITB-KKUMJFAQSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001179925786 833563944 /nfs/dbraw/zinc/56/39/44/833563944.db2.gz UCKKGJYQXHYPLI-MJBXVCDLSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001179925786 833563945 /nfs/dbraw/zinc/56/39/45/833563945.db2.gz UCKKGJYQXHYPLI-MJBXVCDLSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001180226681 833573663 /nfs/dbraw/zinc/57/36/63/833573663.db2.gz GKKCPNCTSYXPTC-QWRGUYRKSA-N 1 3 313.402 -0.900 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001181652830 833638802 /nfs/dbraw/zinc/63/88/02/833638802.db2.gz QWVJVYRVGGCWEJ-CHWSQXEVSA-N 1 3 317.455 -0.294 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181754569 833642917 /nfs/dbraw/zinc/64/29/17/833642917.db2.gz CURFEVBDHBXHEQ-DJSGYFEHSA-N 1 3 310.442 -0.114 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182615192 833682669 /nfs/dbraw/zinc/68/26/69/833682669.db2.gz CGOXKSLBOGFCIL-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001182677110 833686679 /nfs/dbraw/zinc/68/66/79/833686679.db2.gz WMAQCRDSHHQBJJ-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182677110 833686681 /nfs/dbraw/zinc/68/66/81/833686681.db2.gz WMAQCRDSHHQBJJ-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1=C[C@](C)(O)C=C[C@@H]1O ZINC001183547131 833722144 /nfs/dbraw/zinc/72/21/44/833722144.db2.gz JBSOFYDPYYAWSN-SWLSCSKDSA-N 1 3 310.398 -0.342 20 0 DBADHO COCC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184425719 833759385 /nfs/dbraw/zinc/75/93/85/833759385.db2.gz XBFKTYGDKQUXML-IQXANGCESA-N 1 3 309.410 -0.314 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001184876856 833774384 /nfs/dbraw/zinc/77/43/84/833774384.db2.gz OGJSRMKNVXFJKM-RBSFLKMASA-N 1 3 321.425 -0.471 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001185385189 833793651 /nfs/dbraw/zinc/79/36/51/833793651.db2.gz LUOLUCXGPVNUOC-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CC[C@@H](O)C1 ZINC001186036967 833822450 /nfs/dbraw/zinc/82/24/50/833822450.db2.gz CTIHPUJKHQYEKX-QLFBSQMISA-N 1 3 310.442 -0.710 20 0 DBADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CC[C@@H](O)C1 ZINC001186036967 833822456 /nfs/dbraw/zinc/82/24/56/833822456.db2.gz CTIHPUJKHQYEKX-QLFBSQMISA-N 1 3 310.442 -0.710 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001186496967 833853296 /nfs/dbraw/zinc/85/32/96/833853296.db2.gz VJRDVEGKCZWCOQ-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CCOCCO)C2)CC1 ZINC001186554438 833856965 /nfs/dbraw/zinc/85/69/65/833856965.db2.gz DNBJAEXROTTWIE-OAHLLOKOSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N(C)C ZINC001187121352 833904290 /nfs/dbraw/zinc/90/42/90/833904290.db2.gz ICVNVKKEABUBML-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001187306671 833916177 /nfs/dbraw/zinc/91/61/77/833916177.db2.gz MKXBYLJELLMHMF-CABCVRRESA-N 1 3 323.441 -0.224 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001187817580 833951364 /nfs/dbraw/zinc/95/13/64/833951364.db2.gz ILFAEMVJLGAFKU-NWDGAFQWSA-N 1 3 303.428 -0.827 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001187817580 833951367 /nfs/dbraw/zinc/95/13/67/833951367.db2.gz ILFAEMVJLGAFKU-NWDGAFQWSA-N 1 3 303.428 -0.827 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001187817277 833951559 /nfs/dbraw/zinc/95/15/59/833951559.db2.gz DAYKUEXKAJQDIU-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001187817277 833951567 /nfs/dbraw/zinc/95/15/67/833951567.db2.gz DAYKUEXKAJQDIU-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)NCC1CC1 ZINC001187835398 833952359 /nfs/dbraw/zinc/95/23/59/833952359.db2.gz WJNGDZIHKRWWHP-CQSZACIVSA-N 1 3 308.426 -0.201 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001188158239 833971191 /nfs/dbraw/zinc/97/11/91/833971191.db2.gz IYSFCWQAYGIMQC-GFCCVEGCSA-N 1 3 320.459 -0.934 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001188158246 833971684 /nfs/dbraw/zinc/97/16/84/833971684.db2.gz JCGWBIVUCIMFNG-VXGBXAGGSA-N 1 3 310.398 -0.678 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001188158245 833971849 /nfs/dbraw/zinc/97/18/49/833971849.db2.gz JCGWBIVUCIMFNG-NEPJUHHUSA-N 1 3 310.398 -0.678 20 0 DBADHO CN1CCN(C(=O)CN2CC3(C2)CCN(CC[NH+](C)C)C3)CC1 ZINC001277632541 833978725 /nfs/dbraw/zinc/97/87/25/833978725.db2.gz WOBYUHMECIHEMO-UHFFFAOYSA-N 1 3 323.485 -0.670 20 0 DBADHO C[C@@H](O)CN1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001277961334 834014026 /nfs/dbraw/zinc/01/40/26/834014026.db2.gz WONNYKSONJNLCX-ZBFHGGJFSA-N 1 3 312.458 -0.415 20 0 DBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189054351 834040057 /nfs/dbraw/zinc/04/00/57/834040057.db2.gz DSELLAWBRVNULW-RWMBFGLXSA-N 1 3 322.409 -0.724 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001189660533 834104262 /nfs/dbraw/zinc/10/42/62/834104262.db2.gz UYWNQKFGLSHADL-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001189660533 834104265 /nfs/dbraw/zinc/10/42/65/834104265.db2.gz UYWNQKFGLSHADL-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1)C1CC1 ZINC001190656322 834178367 /nfs/dbraw/zinc/17/83/67/834178367.db2.gz RXRJQZFTJXATNG-CABCVRRESA-N 1 3 313.442 -0.132 20 0 DBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)C1CC1 ZINC001190656322 834178373 /nfs/dbraw/zinc/17/83/73/834178373.db2.gz RXRJQZFTJXATNG-CABCVRRESA-N 1 3 313.442 -0.132 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001190900346 834203489 /nfs/dbraw/zinc/20/34/89/834203489.db2.gz OPWCZHKEQVQBRV-MELADBBJSA-N 1 3 301.431 -0.133 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001190900346 834203496 /nfs/dbraw/zinc/20/34/96/834203496.db2.gz OPWCZHKEQVQBRV-MELADBBJSA-N 1 3 301.431 -0.133 20 0 DBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192018426 834317828 /nfs/dbraw/zinc/31/78/28/834317828.db2.gz UJBYMFAUQPFAJE-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCN1C(=O)CCC1=O)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153516 834336079 /nfs/dbraw/zinc/33/60/79/834336079.db2.gz QGSHOESCXPIYMO-CYBMUJFWSA-N 1 3 324.425 -0.380 20 0 DBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172141 834339903 /nfs/dbraw/zinc/33/99/03/834339903.db2.gz ZHASZKAQPFKSJG-ZDUSSCGKSA-N 1 3 311.430 -0.504 20 0 DBADHO Cn1cc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)cn1 ZINC001238240296 834350052 /nfs/dbraw/zinc/35/00/52/834350052.db2.gz GFTUBJMMZKEPLA-LLVKDONJSA-N 1 3 313.427 -0.427 20 0 DBADHO O=S(=O)(C[C@@H]1CCCO1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239185 834350654 /nfs/dbraw/zinc/35/06/54/834350654.db2.gz CCYQQHKPLWKRDP-STQMWFEESA-N 1 3 317.455 -0.041 20 0 DBADHO O=S(=O)(C[C@@H]1CCCO1)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238239185 834350666 /nfs/dbraw/zinc/35/06/66/834350666.db2.gz CCYQQHKPLWKRDP-STQMWFEESA-N 1 3 317.455 -0.041 20 0 DBADHO COC(=O)C1([N-]S(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238400530 834355413 /nfs/dbraw/zinc/35/54/13/834355413.db2.gz XUKJUDAVIHDQLO-UHFFFAOYSA-N 1 3 319.427 -0.799 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)C1 ZINC001192353239 834361336 /nfs/dbraw/zinc/36/13/36/834361336.db2.gz BSYWFGXJEFAUII-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)C1 ZINC001192353239 834361346 /nfs/dbraw/zinc/36/13/46/834361346.db2.gz BSYWFGXJEFAUII-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@H+](C)CCOCCO)C2)C1 ZINC001192353237 834362860 /nfs/dbraw/zinc/36/28/60/834362860.db2.gz BSYWFGXJEFAUII-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([N@@H+](C)CCOCCO)C2)C1 ZINC001192353237 834362872 /nfs/dbraw/zinc/36/28/72/834362872.db2.gz BSYWFGXJEFAUII-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO NCCS(=O)(=O)NCC1(Cc2ccccn2)CC[NH2+]CC1 ZINC001238846542 834367453 /nfs/dbraw/zinc/36/74/53/834367453.db2.gz SGEHQMWZSNTPOB-UHFFFAOYSA-N 1 3 312.439 -0.128 20 0 DBADHO COC(=O)[C@H]([N-]S(=O)(=O)CC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001238896863 834368746 /nfs/dbraw/zinc/36/87/46/834368746.db2.gz CLBBEKRVBIDRCJ-VXGBXAGGSA-N 1 3 319.427 -0.944 20 0 DBADHO O=S(=O)([C@H]1CC[NH2+]C1)N1CCNC[C@@]2(CCCCN2)C1 ZINC001239014135 834376295 /nfs/dbraw/zinc/37/62/95/834376295.db2.gz IWCPTEULJHJGHD-STQMWFEESA-N 1 3 302.444 -0.904 20 0 DBADHO O=S(=O)(C1CC[NH2+]CC1)N1CCNC[C@]2(CCCCN2)C1 ZINC001239015633 834377359 /nfs/dbraw/zinc/37/73/59/834377359.db2.gz DKXJSMSBEJPKJD-CQSZACIVSA-N 1 3 316.471 -0.514 20 0 DBADHO CC(C)N(C)Cc1cnc2n1CCN(S(=O)(=O)CC[NH3+])C2 ZINC001239080309 834380725 /nfs/dbraw/zinc/38/07/25/834380725.db2.gz DOQWVWCPTBMGOZ-UHFFFAOYSA-N 1 3 315.443 -0.173 20 0 DBADHO CN(C)CCN(CCN(C)C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC001239085027 834381718 /nfs/dbraw/zinc/38/17/18/834381718.db2.gz YZDYQPAIXIYFCW-UHFFFAOYSA-N 1 3 320.503 -0.259 20 0 DBADHO CC[NH+](CC)CCCN1CCN(S(=O)(=O)CCN)CC1 ZINC001239094727 834383208 /nfs/dbraw/zinc/38/32/08/834383208.db2.gz XJBRLJRFBFEYEC-UHFFFAOYSA-N 1 3 306.476 -0.376 20 0 DBADHO S=C(NCCN1CCCCC1)N1CCN[C@@]2(CC[NH2+]C2)C1 ZINC001239425762 834399379 /nfs/dbraw/zinc/39/93/79/834399379.db2.gz QAQOXBUFARCIHB-OAHLLOKOSA-N 1 3 311.499 -0.016 20 0 DBADHO CCOC(=O)CC1(NC[C@@H](O)[C@@H]([NH3+])Cc2ccccc2)CNC1 ZINC001245996069 834407746 /nfs/dbraw/zinc/40/77/46/834407746.db2.gz RXDVZYOXQZCDOC-LSDHHAIUSA-N 1 3 321.421 -0.198 20 0 DBADHO CC[C@]1(C(=O)OC)C[C@H](NCCOCCOCC[NH3+])CN1 ZINC001246285301 834427276 /nfs/dbraw/zinc/42/72/76/834427276.db2.gz RGBWEPHJFONISW-GXTWGEPZSA-N 1 3 303.403 -0.748 20 0 DBADHO C[C@H](N[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CNCCO1 ZINC001246288496 834427545 /nfs/dbraw/zinc/42/75/45/834427545.db2.gz AZNIHUSQUQMPST-ZDEQEGDKSA-N 1 3 314.455 -0.784 20 0 DBADHO CCOC(=O)CN1CCC([NH2+]CCCC[C@H](N)C(N)=O)CC1 ZINC001246417868 834434455 /nfs/dbraw/zinc/43/44/55/834434455.db2.gz PMMYHKHEEOPQPD-ZDUSSCGKSA-N 1 3 314.430 -0.414 20 0 DBADHO COC(=O)[C@@H]1CC[C@H](N2CCOCC3(CC[NH2+]CC3)C2)CN1 ZINC001246611412 834441818 /nfs/dbraw/zinc/44/18/18/834441818.db2.gz GGASTLSGQZVCBH-KBPBESRZSA-N 1 3 311.426 -0.018 20 0 DBADHO O=C1C[C@H](N2CCN(C3=NOC4(C3)CC[NH2+]CC4)CC2)CCN1 ZINC001246668485 834446778 /nfs/dbraw/zinc/44/67/78/834446778.db2.gz NPHPVKITYZPPJU-CYBMUJFWSA-N 1 3 321.425 -0.261 20 0 DBADHO COC(=O)[C@@H]1COCCC12CN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854255 834458704 /nfs/dbraw/zinc/45/87/04/834458704.db2.gz PQELVJFRIRQWMD-STQMWFEESA-N 1 3 309.410 -0.408 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CN1 ZINC001246979233 834465650 /nfs/dbraw/zinc/46/56/50/834465650.db2.gz XWUOTSLUPHASMM-CFVMTHIKSA-N 1 3 310.442 -0.223 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCC[NH2+]C[C@H]1F)O3 ZINC001247007113 834467708 /nfs/dbraw/zinc/46/77/08/834467708.db2.gz BMVHJEYRDIYHBY-BNDIWNMDSA-N 1 3 319.402 -0.779 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCC[NH2+]CC1)O3 ZINC001247013350 834469238 /nfs/dbraw/zinc/46/92/38/834469238.db2.gz WRLSUVNBVJQNRR-RNJOBUHISA-N 1 3 301.412 -0.727 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001193640264 834518514 /nfs/dbraw/zinc/51/85/14/834518514.db2.gz FCGBEAVHEQOSNV-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001193640264 834518518 /nfs/dbraw/zinc/51/85/18/834518518.db2.gz FCGBEAVHEQOSNV-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO C[NH+](C)CCn1c(=O)ccc2c1CCN(C[C@H](O)CO)CC2 ZINC001252057761 834519769 /nfs/dbraw/zinc/51/97/69/834519769.db2.gz OAXQDAMIELIPDN-AWEZNQCLSA-N 1 3 309.410 -0.836 20 0 DBADHO CC[NH+](CC)C[C@H](O)CNC1CCN(CC(=O)OC)CC1 ZINC001253204050 834565231 /nfs/dbraw/zinc/56/52/31/834565231.db2.gz PCNLHQSWWSJPHZ-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO COC(=O)[C@@H]1CC[C@H]([N@H+](CCN)CCO)C[C@H]1C(=O)OC ZINC001257719957 834661775 /nfs/dbraw/zinc/66/17/75/834661775.db2.gz WIZBQYXZTRFXTD-QJPTWQEYSA-N 1 3 302.371 -0.630 20 0 DBADHO COC(=O)[C@@H]1CC[C@H]([N@@H+](CCN)CCO)C[C@H]1C(=O)OC ZINC001257719957 834661781 /nfs/dbraw/zinc/66/17/81/834661781.db2.gz WIZBQYXZTRFXTD-QJPTWQEYSA-N 1 3 302.371 -0.630 20 0 DBADHO O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C(=O)N1CCCNCC1 ZINC001261635883 834823161 /nfs/dbraw/zinc/82/31/61/834823161.db2.gz RVTMQBACANCZPN-AWEZNQCLSA-N 1 3 324.425 -0.822 20 0 DBADHO C[NH+](C)CCC(=O)N1CCCN(C[C@@H](O)Cn2cccn2)CC1 ZINC001197036804 834829530 /nfs/dbraw/zinc/82/95/30/834829530.db2.gz JIEGEEPSNHJVOL-OAHLLOKOSA-N 1 3 323.441 -0.270 20 0 DBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001262071190 834902982 /nfs/dbraw/zinc/90/29/82/834902982.db2.gz SVEAZNLSZSSYEG-DYEKYZERSA-N 1 3 324.425 -0.696 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197792863 834904970 /nfs/dbraw/zinc/90/49/70/834904970.db2.gz RRTSYHSDPIZDST-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197792863 834904971 /nfs/dbraw/zinc/90/49/71/834904971.db2.gz RRTSYHSDPIZDST-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(C2CC[NH+](C[C@H]3CCOC3)CC2)C1=O ZINC001262200563 834916901 /nfs/dbraw/zinc/91/69/01/834916901.db2.gz AFUGETIERYRFKI-TZMCWYRMSA-N 1 3 324.425 -0.031 20 0 DBADHO CNC(=O)C[N@H+](C)CCCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001265068184 835085309 /nfs/dbraw/zinc/08/53/09/835085309.db2.gz AGNDBLSACVKKMW-ZDUSSCGKSA-N 1 3 314.430 -0.861 20 0 DBADHO CNC(=O)C[N@@H+](C)CCCNC(=O)[C@@H](C)CN1CCOCC1 ZINC001265068184 835085316 /nfs/dbraw/zinc/08/53/16/835085316.db2.gz AGNDBLSACVKKMW-ZDUSSCGKSA-N 1 3 314.430 -0.861 20 0 DBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CCN(CCOCCO)CC1 ZINC001265200171 835105712 /nfs/dbraw/zinc/10/57/12/835105712.db2.gz LMEPTRVBDJRXEU-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CCN(CCOCCO)CC1 ZINC001265200171 835105716 /nfs/dbraw/zinc/10/57/16/835105716.db2.gz LMEPTRVBDJRXEU-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO NC(=O)CNC[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528700 835135616 /nfs/dbraw/zinc/13/56/16/835135616.db2.gz MNYHUABRMWLFKI-ZIAGYGMSSA-N 1 3 324.425 -0.979 20 0 DBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001265494645 835148205 /nfs/dbraw/zinc/14/82/05/835148205.db2.gz RUMVIUDUHFAMRQ-HKUMRIAESA-N 1 3 324.425 -0.385 20 0 DBADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201052959 835166325 /nfs/dbraw/zinc/16/63/25/835166325.db2.gz IMIKDRORBGGFGM-GJZGRUSLSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201052956 835166416 /nfs/dbraw/zinc/16/64/16/835166416.db2.gz IMIKDRORBGGFGM-CABCVRRESA-N 1 3 313.442 -0.086 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC1 ZINC001201259892 835178680 /nfs/dbraw/zinc/17/86/80/835178680.db2.gz DYUNSEOZZJGHJC-GFCCVEGCSA-N 1 3 312.414 -0.979 20 0 DBADHO C[C@@H](NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201262945 835179520 /nfs/dbraw/zinc/17/95/20/835179520.db2.gz WHOPMVBKFQKTLN-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(N)=O ZINC001201335894 835183534 /nfs/dbraw/zinc/18/35/34/835183534.db2.gz QZZWZHCXKHLDGP-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(N)=O ZINC001201335892 835183927 /nfs/dbraw/zinc/18/39/27/835183927.db2.gz QZZWZHCXKHLDGP-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[C@@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(N)=O ZINC001201335896 835184055 /nfs/dbraw/zinc/18/40/55/835184055.db2.gz QZZWZHCXKHLDGP-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001201932334 835221050 /nfs/dbraw/zinc/22/10/50/835221050.db2.gz WXHWKEACSHUGJM-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2)C1CCC1 ZINC001203035762 835280029 /nfs/dbraw/zinc/28/00/29/835280029.db2.gz GYQOQWFLIZNCMV-STQMWFEESA-N 1 3 308.426 -0.027 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)CCC1 ZINC001203028826 835280195 /nfs/dbraw/zinc/28/01/95/835280195.db2.gz PAJDBEZFCJRGCL-NEPJUHHUSA-N 1 3 308.426 -0.027 20 0 DBADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925544 835311197 /nfs/dbraw/zinc/31/11/97/835311197.db2.gz RUSAJLMETBNLLU-AWEZNQCLSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001203924912 835311365 /nfs/dbraw/zinc/31/13/65/835311365.db2.gz HBXZLDOKYOBLGS-UHFFFAOYSA-N 1 3 301.431 -0.084 20 0 DBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC(C[NH2+]CCO)CC1 ZINC001205719195 835354518 /nfs/dbraw/zinc/35/45/18/835354518.db2.gz DCHLTTLFQJVEDX-CKDBGZEDSA-N 1 3 323.437 -0.330 20 0 DBADHO CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001266827194 835392301 /nfs/dbraw/zinc/39/23/01/835392301.db2.gz NVKZTJFLFGRKDO-LBPRGKRZSA-N 1 3 310.398 -0.819 20 0 DBADHO CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001266827193 835392355 /nfs/dbraw/zinc/39/23/55/835392355.db2.gz NVKZTJFLFGRKDO-GFCCVEGCSA-N 1 3 310.398 -0.819 20 0 DBADHO COC[C@@H](O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206403750 835395154 /nfs/dbraw/zinc/39/51/54/835395154.db2.gz VCSOHFKXZGRFNV-AWEZNQCLSA-N 1 3 310.398 -0.212 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001266904632 835403557 /nfs/dbraw/zinc/40/35/57/835403557.db2.gz GGNRZVBFECFVSI-SVPLCASGSA-N 1 3 322.409 -0.822 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001266904632 835403559 /nfs/dbraw/zinc/40/35/59/835403559.db2.gz GGNRZVBFECFVSI-SVPLCASGSA-N 1 3 322.409 -0.822 20 0 DBADHO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)CN(C)C1CCC1 ZINC001267384633 835498628 /nfs/dbraw/zinc/49/86/28/835498628.db2.gz ZOIFZRMJNZXFQI-LBPRGKRZSA-N 1 3 310.398 -0.676 20 0 DBADHO CC[C@H](C(=O)N(C)CC[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001267389702 835501306 /nfs/dbraw/zinc/50/13/06/835501306.db2.gz BPURBSSWFUHBCN-GFCCVEGCSA-N 1 3 312.414 -0.476 20 0 DBADHO CN(CCNCC(=O)NCC1CC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267456391 835517120 /nfs/dbraw/zinc/51/71/20/835517120.db2.gz VTCIRHKQGICPJU-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CCNCC(=O)NCC1CC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267456391 835517122 /nfs/dbraw/zinc/51/71/22/835517122.db2.gz VTCIRHKQGICPJU-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](CN[C@@H]1CCC(=O)NC1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001268080092 835629620 /nfs/dbraw/zinc/62/96/20/835629620.db2.gz GZWZTORHMCEJQF-NWDGAFQWSA-N 1 3 324.425 -0.430 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC001268334362 835670721 /nfs/dbraw/zinc/67/07/21/835670721.db2.gz YSKQSNBPNAIZRT-CHWSQXEVSA-N 1 3 310.398 -0.246 20 0 DBADHO C[NH+](C)CC1(C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)CC1 ZINC001268583840 835743488 /nfs/dbraw/zinc/74/34/88/835743488.db2.gz WEVMTYIWHZWJLY-DHCBQETCSA-N 1 3 308.426 -0.131 20 0 DBADHO C[NH+]1CCC(C(=O)NC/C=C/CN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001268586505 835744659 /nfs/dbraw/zinc/74/46/59/835744659.db2.gz DMODGSBAMSGDSE-YWVDXFKGSA-N 1 3 322.409 -0.605 20 0 DBADHO C[NH+]1CCC(C(=O)NC/C=C\CN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001268586503 835744999 /nfs/dbraw/zinc/74/49/99/835744999.db2.gz DMODGSBAMSGDSE-XQJDBVBESA-N 1 3 322.409 -0.605 20 0 DBADHO C[C@@H]([NH2+]CCCN(C)C(=O)CN1CCCC1)C(=O)NC(N)=O ZINC001268950146 835847894 /nfs/dbraw/zinc/84/78/94/835847894.db2.gz MVZBVFBVCWIDNS-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)CCOCCO ZINC001485302074 1013102535 /nfs/dbraw/zinc/10/25/35/1013102535.db2.gz KZJDZLMMWVNXED-UKRRQHHQSA-N 1 3 313.442 -0.226 20 0 DBADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485834639 1013382875 /nfs/dbraw/zinc/38/28/75/1013382875.db2.gz QXPQUGQOWQSCGG-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485834639 1013382887 /nfs/dbraw/zinc/38/28/87/1013382887.db2.gz QXPQUGQOWQSCGG-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCN1C(=O)CCC1=O ZINC001485927633 1013436620 /nfs/dbraw/zinc/43/66/20/1013436620.db2.gz RCCLJIPNDFVUQM-LLVKDONJSA-N 1 3 321.381 -0.462 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCc2ccnn2C)C1 ZINC001486033527 1013597163 /nfs/dbraw/zinc/59/71/63/1013597163.db2.gz ITEURANVCGCYLV-KBPBESRZSA-N 1 3 323.441 -0.629 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001486095099 1013670833 /nfs/dbraw/zinc/67/08/33/1013670833.db2.gz GKKCPNCTSYXPTC-WDEREUQCSA-N 1 3 313.402 -0.900 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001486278655 1013778589 /nfs/dbraw/zinc/77/85/89/1013778589.db2.gz OQOCRPOJEAPHLT-BPLDGKMQSA-N 1 3 323.441 -0.331 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCc2cnn(C)c2)CC[N@H+]1C ZINC001486278655 1013778602 /nfs/dbraw/zinc/77/86/02/1013778602.db2.gz OQOCRPOJEAPHLT-BPLDGKMQSA-N 1 3 323.441 -0.331 20 0 DBADHO CN(C)C1(C(=O)N(C)C2CC([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001486465540 1013844902 /nfs/dbraw/zinc/84/49/02/1013844902.db2.gz SKBDZGCSTYLCFE-WXRRBKDZSA-N 1 3 308.426 -0.062 20 0 DBADHO CNC(=O)CNCCOCCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001486496428 1013850047 /nfs/dbraw/zinc/85/00/47/1013850047.db2.gz PBHANBYGDUIEEA-CHWSQXEVSA-N 1 3 314.430 -0.863 20 0 DBADHO CNC(=O)CNCCOCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001486496428 1013850048 /nfs/dbraw/zinc/85/00/48/1013850048.db2.gz PBHANBYGDUIEEA-CHWSQXEVSA-N 1 3 314.430 -0.863 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001528667348 1014455558 /nfs/dbraw/zinc/45/55/58/1014455558.db2.gz ZYGRVGCPRRKKHQ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001528667348 1014455567 /nfs/dbraw/zinc/45/55/67/1014455567.db2.gz ZYGRVGCPRRKKHQ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001208261593 978327417 /nfs/dbraw/zinc/32/74/17/978327417.db2.gz QEMGDFCLMDSUND-NWDGAFQWSA-N 1 3 302.394 -0.268 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001208262203 978329270 /nfs/dbraw/zinc/32/92/70/978329270.db2.gz ZSZPDVTWORHQTM-OLZOCXBDSA-N 1 3 316.421 -0.007 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1)C1CC1 ZINC001208335398 978346741 /nfs/dbraw/zinc/34/67/41/978346741.db2.gz SWWZTYQSMWNZQN-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001208414149 978364565 /nfs/dbraw/zinc/36/45/65/978364565.db2.gz IORSFYVASWITQF-HZSPNIEDSA-N 1 3 301.431 -0.086 20 0 DBADHO CNC(=O)CN[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208489216 978381326 /nfs/dbraw/zinc/38/13/26/978381326.db2.gz GBGMSSQUBMKBGX-ZDUSSCGKSA-N 1 3 308.426 -0.059 20 0 DBADHO CNC(=O)CN1CCCC12CC[NH+](CCN1CCOCC1)CC2 ZINC001209289933 978444070 /nfs/dbraw/zinc/44/40/70/978444070.db2.gz KTQQWSZNHFVZRL-UHFFFAOYSA-N 1 3 324.469 -0.005 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 ZINC001209325055 978448038 /nfs/dbraw/zinc/44/80/38/978448038.db2.gz WWBITMLASGARRV-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001209640975 978469612 /nfs/dbraw/zinc/46/96/12/978469612.db2.gz GCYSEWMLBSOHMF-LSDHHAIUSA-N 1 3 313.442 -0.082 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001210220746 978502332 /nfs/dbraw/zinc/50/23/32/978502332.db2.gz WLWDHUZSJPOELU-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685052 978527036 /nfs/dbraw/zinc/52/70/36/978527036.db2.gz MAHHKELKSSEACJ-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO CNC(=O)[C@@H](C)N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684141 978527287 /nfs/dbraw/zinc/52/72/87/978527287.db2.gz DVDWZGFPWZZTQY-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684222 978527652 /nfs/dbraw/zinc/52/76/52/978527652.db2.gz FYYLRMXPKPJPPV-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001211279140 978562248 /nfs/dbraw/zinc/56/22/48/978562248.db2.gz WATMEBAZOLYJGI-OLZOCXBDSA-N 1 3 324.425 -0.288 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001214952836 978757783 /nfs/dbraw/zinc/75/77/83/978757783.db2.gz OQFGYEAHXHGMST-XJFOESAGSA-N 1 3 301.431 -0.230 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001215541355 978773828 /nfs/dbraw/zinc/77/38/28/978773828.db2.gz YZXMPDWALBKKRE-MGPQQGTHSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001215998785 978779515 /nfs/dbraw/zinc/77/95/15/978779515.db2.gz BLLGUQASGFBXMO-HZSPNIEDSA-N 1 3 301.431 -0.228 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383839 978786556 /nfs/dbraw/zinc/78/65/56/978786556.db2.gz QZKIPTVTNVLLPG-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383839 978786561 /nfs/dbraw/zinc/78/65/61/978786561.db2.gz QZKIPTVTNVLLPG-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCCS(C)(=O)=O ZINC001216754244 978792660 /nfs/dbraw/zinc/79/26/60/978792660.db2.gz MLYLGKUFQSPINM-FRRDWIJNSA-N 1 3 317.455 -0.581 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCCS(C)(=O)=O ZINC001216754244 978792668 /nfs/dbraw/zinc/79/26/68/978792668.db2.gz MLYLGKUFQSPINM-FRRDWIJNSA-N 1 3 317.455 -0.581 20 0 DBADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754106 978793194 /nfs/dbraw/zinc/79/31/94/978793194.db2.gz HSNUCZRMKOBWKU-HZSPNIEDSA-N 1 3 310.442 -0.101 20 0 DBADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754106 978793201 /nfs/dbraw/zinc/79/32/01/978793201.db2.gz HSNUCZRMKOBWKU-HZSPNIEDSA-N 1 3 310.442 -0.101 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001216852406 978796023 /nfs/dbraw/zinc/79/60/23/978796023.db2.gz YKOVJAARTDYBIV-FRRDWIJNSA-N 1 3 324.425 -0.432 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001216851622 978796631 /nfs/dbraw/zinc/79/66/31/978796631.db2.gz CNZYKIXXKRQXSV-HZSPNIEDSA-N 1 3 310.442 -0.006 20 0 DBADHO C[C@H]1CN(CCc2nnc(C34CNCC3C[NH2+]C4)o2)C[C@H](C)O1 ZINC001217708183 978813609 /nfs/dbraw/zinc/81/36/09/978813609.db2.gz WTYOUAXYYAZATO-HSWOEZIZSA-N 1 3 321.425 -0.218 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC001218107935 978820317 /nfs/dbraw/zinc/82/03/17/978820317.db2.gz VHIPJDQLBKBNKD-CFVMTHIKSA-N 1 3 304.394 -0.533 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CC[C@@H]3[NH2+]CCO[C@@H]23)cc1 ZINC001218128954 978821154 /nfs/dbraw/zinc/82/11/54/978821154.db2.gz UZJFRCRVNWIYPL-BYNSBNAKSA-N 1 3 305.378 -0.060 20 0 DBADHO Cn1cnc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c2ncnc1-2 ZINC001218494912 978825162 /nfs/dbraw/zinc/82/51/62/978825162.db2.gz GJHBHULIINHLFG-YMTOWFKASA-N 1 3 301.354 -0.548 20 0 DBADHO COc1ccc2nc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)nnc2c1 ZINC001218512130 978827011 /nfs/dbraw/zinc/82/70/11/978827011.db2.gz HYMCKZHYVDYIAY-JTQLQIEISA-N 1 3 314.349 -0.219 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2 ZINC001218531868 978829423 /nfs/dbraw/zinc/82/94/23/978829423.db2.gz BNNQPIJTDAPNJP-BIIVOSGPSA-N 1 3 311.411 -0.251 20 0 DBADHO O=C(Nc1nc(Cl)nc2[nH]cnc21)[C@H]1C[NH2+]CC12CNC2 ZINC001218586940 978834483 /nfs/dbraw/zinc/83/44/83/978834483.db2.gz HQIITRGCZSXVFK-ZCFIWIBFSA-N 1 3 307.745 -0.246 20 0 DBADHO Cc1nc(NC(=O)[C@H](N)CCC[NH3+])cc(N2CCOCC2)n1 ZINC001218621512 978837858 /nfs/dbraw/zinc/83/78/58/978837858.db2.gz VYVKNPCDECOAQA-LLVKDONJSA-N 1 3 308.386 -0.374 20 0 DBADHO N[C@@H]1C[NH2+][C@H](C(=O)Nc2nc(Cl)c(Cl)nc2CO)C1 ZINC001218655607 978842907 /nfs/dbraw/zinc/84/29/07/978842907.db2.gz YMEHMFMXUVPZHO-WHFBIAKZSA-N 1 3 306.153 -0.097 20 0 DBADHO CCOC(=O)c1ncncc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218679212 978843768 /nfs/dbraw/zinc/84/37/68/978843768.db2.gz QFPJECFHDGTUIK-SECBINFHSA-N 1 3 305.338 -0.599 20 0 DBADHO Cn1nncc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218700889 978845778 /nfs/dbraw/zinc/84/57/78/978845778.db2.gz VGURDOVSEMUGPR-QWRGUYRKSA-N 1 3 323.401 -0.799 20 0 DBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001218713569 978847250 /nfs/dbraw/zinc/84/72/50/978847250.db2.gz SPWNVQVERUVBAU-QPUJVOFHSA-N 1 3 305.338 -0.484 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc([C@@H]2CCCN2)no1 ZINC001218711011 978847309 /nfs/dbraw/zinc/84/73/09/978847309.db2.gz KFYQMGLKWOHQCI-UWVGGRQHSA-N 1 3 307.354 -0.094 20 0 DBADHO COC[C@H](C)Oc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)[nH]n1 ZINC001218720117 978848073 /nfs/dbraw/zinc/84/80/73/978848073.db2.gz XWEMTTIKZFBYTD-VHSXEESVSA-N 1 3 309.370 -0.429 20 0 DBADHO CN1CCNC[C@@H]1C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724344 978848207 /nfs/dbraw/zinc/84/82/07/978848207.db2.gz NVUIOSGOOOJABA-CQSZACIVSA-N 1 3 318.425 -0.149 20 0 DBADHO CN=c1c(N)cc(Cl)nn1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218742520 978849553 /nfs/dbraw/zinc/84/95/53/978849553.db2.gz GYLLKQJDOMIMIJ-AMIZOPFISA-N 1 3 310.789 -0.512 20 0 DBADHO CCOC(=O)c1ncc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1 ZINC001218756726 978850964 /nfs/dbraw/zinc/85/09/64/978850964.db2.gz GNCHLKQQRMNKGM-NSHDSACASA-N 1 3 307.354 -0.081 20 0 DBADHO O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@H]1C[NH2+]CC12CNC2 ZINC001218851396 978855587 /nfs/dbraw/zinc/85/55/87/978855587.db2.gz POYDWRCXDIATJQ-SNVBAGLBSA-N 1 3 302.334 -0.235 20 0 DBADHO [NH3+][C@H]1CN[C@H](C(=O)Nc2ccccc2C(=O)N2CCNCC2)C1 ZINC001218881835 978858090 /nfs/dbraw/zinc/85/80/90/978858090.db2.gz HREIZUGEWUQYMJ-RISCZKNCSA-N 1 3 317.393 -0.640 20 0 DBADHO COC(=O)c1cccc(C(=O)OC)c1NC(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001218936062 978861552 /nfs/dbraw/zinc/86/15/52/978861552.db2.gz YWHATULARMOSEY-KCJUWKMLSA-N 1 3 321.333 -0.113 20 0 DBADHO COc1cc(NC(=O)[C@H](N)CCC[NH3+])c(C(N)=O)cc1OC ZINC001218968873 978863422 /nfs/dbraw/zinc/86/34/22/978863422.db2.gz QQKMBLYVHIICQB-SECBINFHSA-N 1 3 310.354 -0.193 20 0 DBADHO O=C(Nc1cccc2c1CC(=O)NC2)[C@H]1C[NH2+]CC12CNC2 ZINC001219369731 978924341 /nfs/dbraw/zinc/92/43/41/978924341.db2.gz NLAVNXWFGDRHGU-GFCCVEGCSA-N 1 3 300.362 -0.394 20 0 DBADHO Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219417616 978937996 /nfs/dbraw/zinc/93/79/96/978937996.db2.gz XZBDDFWYXWJZJC-SNVBAGLBSA-N 1 3 322.390 -0.746 20 0 DBADHO CN1CCNC[C@@H]1C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219540559 978961388 /nfs/dbraw/zinc/96/13/88/978961388.db2.gz HEDZUJDCQKLOAK-SUHUHFCYSA-N 1 3 302.378 -0.024 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609941 978979326 /nfs/dbraw/zinc/97/93/26/978979326.db2.gz IEBGXVSVDBLXOQ-GXSJLCMTSA-N 1 3 305.304 -0.300 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N[C@]2(C(F)(F)F)CC[NH2+]C2)C1=O ZINC001219611560 978979340 /nfs/dbraw/zinc/97/93/40/978979340.db2.gz ZVTVIEWJQFTYDR-JOYOIKCWSA-N 1 3 322.331 -0.263 20 0 DBADHO COCCCN1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643418 978986742 /nfs/dbraw/zinc/98/67/42/978986742.db2.gz SMGIORWXIDPGPK-ZNMIVQPWSA-N 1 3 311.426 -0.474 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCOC)C[C@@H]2O)CC[N@@H+]1C ZINC001219660659 978990461 /nfs/dbraw/zinc/99/04/61/978990461.db2.gz GLMCKRGWXPMFHO-YJNKXOJESA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCOC)C[C@@H]2O)CC[N@H+]1C ZINC001219660659 978990464 /nfs/dbraw/zinc/99/04/64/978990464.db2.gz GLMCKRGWXPMFHO-YJNKXOJESA-N 1 3 313.442 -0.086 20 0 DBADHO CCOC(=O)c1nc[nH]c1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219676775 978991429 /nfs/dbraw/zinc/99/14/29/978991429.db2.gz XNAINHSYFWRVAT-MEBBXXQBSA-N 1 3 321.381 -0.598 20 0 DBADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)C(=O)N2 ZINC001219687584 978995864 /nfs/dbraw/zinc/99/58/64/978995864.db2.gz UGMDFGVYGSMLCM-AAEUAGOBSA-N 1 3 300.362 -0.087 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cc[nH]n1 ZINC001219689568 978996261 /nfs/dbraw/zinc/99/62/61/978996261.db2.gz YHJUKNQSIAELEZ-STQMWFEESA-N 1 3 322.413 -0.527 20 0 DBADHO CS(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CCC[NH3+])nc1 ZINC001219716406 979000243 /nfs/dbraw/zinc/00/02/43/979000243.db2.gz MVQSYZSLOSPXME-NSHDSACASA-N 1 3 300.384 -0.833 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741890 979004907 /nfs/dbraw/zinc/00/49/07/979004907.db2.gz XFWRDHVBTPJRHE-NEPJUHHUSA-N 1 3 313.398 -0.316 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744623 979006830 /nfs/dbraw/zinc/00/68/30/979006830.db2.gz ZUYHKMSZGGECIW-SDDRHHMPSA-N 1 3 312.414 -0.744 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743634 979006941 /nfs/dbraw/zinc/00/69/41/979006941.db2.gz IHQCCOWPIQNXQI-SMDDFHAHSA-N 1 3 317.455 -0.500 20 0 DBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CNCc2ccsc21 ZINC001219825258 979026838 /nfs/dbraw/zinc/02/68/38/979026838.db2.gz GFZINVDMBNGKQK-QWHCGFSZSA-N 1 3 323.466 -0.241 20 0 DBADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837245 979028094 /nfs/dbraw/zinc/02/80/94/979028094.db2.gz IHPNNGQIOSGDPX-KWBADKCTSA-N 1 3 307.341 -0.520 20 0 DBADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001219850215 979032536 /nfs/dbraw/zinc/03/25/36/979032536.db2.gz OAJKBDJCWAVRSO-JGFGOLAASA-N 1 3 323.437 -0.114 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001219849762 979032685 /nfs/dbraw/zinc/03/26/85/979032685.db2.gz IHHVUMRCCHCTMW-RFBLXINOSA-N 1 3 322.453 -0.162 20 0 DBADHO Cn1cc2c(n1)[C@H](CNC(=O)[C@]13C[NH2+]C[C@H]1CNCC3)OCC2 ZINC001219885030 979037494 /nfs/dbraw/zinc/03/74/94/979037494.db2.gz FVDGZCSWJAKYMK-DVOMOZLQSA-N 1 3 319.409 -0.651 20 0 DBADHO Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H](N)C1CC[NH2+]CC1)OCC2 ZINC001219888951 979039684 /nfs/dbraw/zinc/03/96/84/979039684.db2.gz YHLOUNCGNCHWSQ-OLZOCXBDSA-N 1 3 307.398 -0.523 20 0 DBADHO CS(=O)(=O)N(C(=O)[C@H]1C[C@@H](O)CN1)c1ccc(C[NH3+])cc1 ZINC001219939039 979046676 /nfs/dbraw/zinc/04/66/76/979046676.db2.gz PFJMNUQHWFJLOU-VXGBXAGGSA-N 1 3 313.379 -0.839 20 0 DBADHO COC(=O)C1(NC(=O)C[C@H]2CCNC[C@H]2F)CC[NH2+]CC1 ZINC001220001195 979057282 /nfs/dbraw/zinc/05/72/82/979057282.db2.gz LDNKOHLXRBRSDO-GHMZBOCLSA-N 1 3 301.362 -0.265 20 0 DBADHO CCOC(=O)c1nnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)o1 ZINC001220010974 979064115 /nfs/dbraw/zinc/06/41/15/979064115.db2.gz NPYYCHUMONPFJA-YMTOWFKASA-N 1 3 323.353 -0.938 20 0 DBADHO COC(=O)c1ccnc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001220038057 979071063 /nfs/dbraw/zinc/07/10/63/979071063.db2.gz QOJQLGWBWNJRMJ-GFCCVEGCSA-N 1 3 304.350 -0.707 20 0 DBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001220043622 979074263 /nfs/dbraw/zinc/07/42/63/979074263.db2.gz ZGGGSDNTFVCHMB-CABZTGNLSA-N 1 3 322.413 -0.352 20 0 DBADHO C[NH2+]CCNC(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001220051215 979079798 /nfs/dbraw/zinc/07/97/98/979079798.db2.gz OVODWKIYEAVRCA-LBPRGKRZSA-N 1 3 307.398 -0.355 20 0 DBADHO N[C@H](C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1)C1CC[NH2+]CC1 ZINC001220065895 979081596 /nfs/dbraw/zinc/08/15/96/979081596.db2.gz LATLBDQUFPABEX-LBPRGKRZSA-N 1 3 307.354 -0.451 20 0 DBADHO N[C@@H](C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1)C1CC[NH2+]CC1 ZINC001220065893 979083415 /nfs/dbraw/zinc/08/34/15/979083415.db2.gz LATLBDQUFPABEX-GFCCVEGCSA-N 1 3 307.354 -0.451 20 0 DBADHO COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220079602 979085399 /nfs/dbraw/zinc/08/53/99/979085399.db2.gz SJSGELLSCBAAMB-UWVGGRQHSA-N 1 3 301.412 -0.794 20 0 DBADHO COC(=O)[C@H](CCSC)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220079326 979085704 /nfs/dbraw/zinc/08/57/04/979085704.db2.gz GZYOVJKACSDSSZ-QWRGUYRKSA-N 1 3 303.428 -0.276 20 0 DBADHO O=C(N[C@@H](CO)Cc1ccc(O)cc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220117546 979102332 /nfs/dbraw/zinc/10/23/32/979102332.db2.gz MEATZAGJENEGGV-TZMCWYRMSA-N 1 3 305.378 -0.779 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1CN(S(C)(=O)=O)C1 ZINC001220145642 979113093 /nfs/dbraw/zinc/11/30/93/979113093.db2.gz KCZWCVOOJCLEFZ-LBPRGKRZSA-N 1 3 320.459 -0.758 20 0 DBADHO CSCC[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)C(C)(C)O ZINC001220145823 979113264 /nfs/dbraw/zinc/11/32/64/979113264.db2.gz RLKYDFOUDJGOIP-GHMZBOCLSA-N 1 3 301.456 -0.196 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159337 979119114 /nfs/dbraw/zinc/11/91/14/979119114.db2.gz NDJFRLPJKKZQDT-ZOWXZIJZSA-N 1 3 311.430 -0.199 20 0 DBADHO O=C(NCc1cc(OC2COC2)ccn1)[C@H]1C[NH2+]CC12CNC2 ZINC001220183658 979126892 /nfs/dbraw/zinc/12/68/92/979126892.db2.gz WFBSNJDPKPVNGT-CQSZACIVSA-N 1 3 318.377 -0.716 20 0 DBADHO COc1ccnc(C(=N)NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001220183262 979126953 /nfs/dbraw/zinc/12/69/53/979126953.db2.gz JWVXEGHFCSBJTI-JTQLQIEISA-N 1 3 318.381 -0.199 20 0 DBADHO COc1ccnc(C(=N)NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001220183262 979126957 /nfs/dbraw/zinc/12/69/57/979126957.db2.gz JWVXEGHFCSBJTI-JTQLQIEISA-N 1 3 318.381 -0.199 20 0 DBADHO Cc1nc[nH]c1CSCCNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220257285 979149909 /nfs/dbraw/zinc/14/99/09/979149909.db2.gz TUUFBHBFWIWPLP-LLVKDONJSA-N 1 3 309.439 -0.123 20 0 DBADHO COCCn1cncc1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220274516 979152168 /nfs/dbraw/zinc/15/21/68/979152168.db2.gz GEXUQOSNZQFFIT-IUODEOHRSA-N 1 3 307.398 -0.655 20 0 DBADHO O=C(NCCNC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccc(F)cc1 ZINC001220286449 979157096 /nfs/dbraw/zinc/15/70/96/979157096.db2.gz JASPYHSHXMLKFD-ZDUSSCGKSA-N 1 3 320.368 -0.519 20 0 DBADHO [NH3+]C1(CC(=O)NCc2ncn3c2CNCCC3)CCOCC1 ZINC001220313936 979160928 /nfs/dbraw/zinc/16/09/28/979160928.db2.gz ZDNISXWWCUCCFC-UHFFFAOYSA-N 1 3 307.398 -0.109 20 0 DBADHO O=C(NCc1ncn2c1CNCCC2)C1=NO[C@]2(CC[NH2+]C2)C1 ZINC001220312120 979161956 /nfs/dbraw/zinc/16/19/56/979161956.db2.gz XGIAEOITTSRGOZ-OAHLLOKOSA-N 1 3 318.381 -0.499 20 0 DBADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@@H]1CNCc2ccnn2C1 ZINC001220315683 979165045 /nfs/dbraw/zinc/16/50/45/979165045.db2.gz HAFGVXYXJCCRSA-DVOMOZLQSA-N 1 3 319.409 -0.370 20 0 DBADHO O=C(NCCNC(=O)[C@H]1C[NH2+]CC12CNC2)Nc1ccccc1 ZINC001220340816 979173711 /nfs/dbraw/zinc/17/37/11/979173711.db2.gz PTQSQBTZGPOXST-CYBMUJFWSA-N 1 3 317.393 -0.267 20 0 DBADHO Cn1cc(Br)c(CNC(=O)[C@@H](N)CCC[NH3+])n1 ZINC001220335435 979173850 /nfs/dbraw/zinc/17/38/50/979173850.db2.gz MTHTUKPPXMEWHP-QMMMGPOBSA-N 1 3 304.192 -0.135 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC(C)(C)C ZINC001220479265 979209109 /nfs/dbraw/zinc/20/91/09/979209109.db2.gz FSSFDUIFFYXAKL-RYUDHWBXSA-N 1 3 317.430 -0.136 20 0 DBADHO COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220514622 979220189 /nfs/dbraw/zinc/22/01/89/979220189.db2.gz SBUXESJTVQBCEL-VIFPVBQESA-N 1 3 309.326 -0.766 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@]2(C)CC[NH2+]C[C@H]2O)CCNC1 ZINC001220521210 979222608 /nfs/dbraw/zinc/22/26/08/979222608.db2.gz AASLORCFGDQRIP-DOMZBBRYSA-N 1 3 311.382 -0.726 20 0 DBADHO [NH3+]CCOCCOCCNC(=O)c1cncc2c1CCNC2 ZINC001220521675 979223746 /nfs/dbraw/zinc/22/37/46/979223746.db2.gz KZQYYYMTPALJOB-UHFFFAOYSA-N 1 3 308.382 -0.551 20 0 DBADHO O=C(NCCN1CC2(COC2)C1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220571659 979234717 /nfs/dbraw/zinc/23/47/17/979234717.db2.gz WUMKXWVSJOXKFC-ZDUSSCGKSA-N 1 3 308.426 -0.691 20 0 DBADHO N[C@H](C(=O)NCc1ccccc1-n1cnnn1)C1CC[NH2+]CC1 ZINC001220670395 979262715 /nfs/dbraw/zinc/26/27/15/979262715.db2.gz JIOZQYJYZOYPFV-AWEZNQCLSA-N 1 3 315.381 -0.395 20 0 DBADHO CC(C)(CC(=O)N1CCCC1)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220687288 979267232 /nfs/dbraw/zinc/26/72/32/979267232.db2.gz LLKIRFLYHUHKNJ-NSHDSACASA-N 1 3 316.471 -0.087 20 0 DBADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220794489 979288411 /nfs/dbraw/zinc/28/84/11/979288411.db2.gz QJOLLQADWSYNGQ-ZNMIVQPWSA-N 1 3 303.410 -0.248 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799492 979288624 /nfs/dbraw/zinc/28/86/24/979288624.db2.gz BPDQAPKGNUTWNX-KXUCPTDWSA-N 1 3 305.304 -0.064 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220804822 979290349 /nfs/dbraw/zinc/29/03/49/979290349.db2.gz PVHKQZVKCNWTBT-MAUMQABQSA-N 1 3 310.320 -0.505 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220805451 979291315 /nfs/dbraw/zinc/29/13/15/979291315.db2.gz RXJALEDTLRVYTH-MVPNQKERSA-N 1 3 315.361 -0.261 20 0 DBADHO COc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(OC)n1 ZINC001220823953 979300392 /nfs/dbraw/zinc/30/03/92/979300392.db2.gz USICUXIPIOSXJU-MLGOLLRUSA-N 1 3 320.393 -0.086 20 0 DBADHO CSCC[C@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)C(N)=O ZINC001220840039 979304676 /nfs/dbraw/zinc/30/46/76/979304676.db2.gz GRMKBJXOECFZLV-QWRGUYRKSA-N 1 3 304.460 -0.231 20 0 DBADHO COC[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)[C@@H](O)c1ccccc1 ZINC001220865728 979310687 /nfs/dbraw/zinc/31/06/87/979310687.db2.gz IYYPNDROQNAJJA-ILXRZTDVSA-N 1 3 319.405 -0.340 20 0 DBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220926241 979324479 /nfs/dbraw/zinc/32/44/79/979324479.db2.gz CPLGMQPTBNHKQG-CVEARBPZSA-N 1 3 318.421 -0.010 20 0 DBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1C[NH2+]C[C@H]1O ZINC001220926244 979327141 /nfs/dbraw/zinc/32/71/41/979327141.db2.gz CPLGMQPTBNHKQG-JKSUJKDBSA-N 1 3 318.421 -0.010 20 0 DBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1C[NH2+]C[C@H]1O ZINC001220926243 979327652 /nfs/dbraw/zinc/32/76/52/979327652.db2.gz CPLGMQPTBNHKQG-HZPDHXFCSA-N 1 3 318.421 -0.010 20 0 DBADHO O=C(N[C@@H]1CCN(c2ccccn2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220934529 979328317 /nfs/dbraw/zinc/32/83/17/979328317.db2.gz QJOMBHMIKJXDEE-OLZOCXBDSA-N 1 3 301.394 -0.415 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220936980 979329023 /nfs/dbraw/zinc/32/90/23/979329023.db2.gz LCTHPRGTJCMJMT-NEPJUHHUSA-N 1 3 315.414 -0.199 20 0 DBADHO CC(C)Oc1nccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001220988163 979340312 /nfs/dbraw/zinc/34/03/12/979340312.db2.gz HUSVUUKWANKGEQ-LBPRGKRZSA-N 1 3 305.382 -0.311 20 0 DBADHO CN1CCNC[C@H]1C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124109 979368599 /nfs/dbraw/zinc/36/85/99/979368599.db2.gz WPJHQCCYAKNIAA-AWEZNQCLSA-N 1 3 303.410 -0.320 20 0 DBADHO COCCOc1nccc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)n1 ZINC001221158322 979377776 /nfs/dbraw/zinc/37/77/76/979377776.db2.gz ZKBIYHMBXPGIQU-CYBMUJFWSA-N 1 3 323.397 -0.555 20 0 DBADHO COC(=O)[C@H](CCC[NH3+])NC(=O)c1cncc2c1CCNC2 ZINC001221190042 979380372 /nfs/dbraw/zinc/38/03/72/979380372.db2.gz AQUYXLBIUXOXFS-ZDUSSCGKSA-N 1 3 306.366 -0.262 20 0 DBADHO COC(=O)[C@@](C)(NC(=O)[C@H](N)C1CC[NH2+]CC1)C(F)(F)F ZINC001221221562 979386839 /nfs/dbraw/zinc/38/68/39/979386839.db2.gz QOGQABBQDQWRIB-LDYMZIIASA-N 1 3 311.304 -0.077 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221246074 979389948 /nfs/dbraw/zinc/38/99/48/979389948.db2.gz OIORFHXQIGOBEJ-IUODEOHRSA-N 1 3 311.430 -0.199 20 0 DBADHO [NH3+]C[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1COC2(CNC2)CN1 ZINC001221333987 979403846 /nfs/dbraw/zinc/40/38/46/979403846.db2.gz WQRKMOUAYJVDEC-LSDHHAIUSA-N 1 3 316.405 -0.771 20 0 DBADHO N=C(NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cnc2ccc(F)cn21 ZINC001221322851 979404193 /nfs/dbraw/zinc/40/41/93/979404193.db2.gz PBEOKOWKVVHGBQ-JTQLQIEISA-N 1 3 316.340 -0.276 20 0 DBADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001221356301 979407258 /nfs/dbraw/zinc/40/72/58/979407258.db2.gz CRZBYNMDWQCKPA-QWHCGFSZSA-N 1 3 300.447 -0.084 20 0 DBADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@H](N)CCC[NH3+] ZINC001221356300 979408416 /nfs/dbraw/zinc/40/84/16/979408416.db2.gz CRZBYNMDWQCKPA-OLZOCXBDSA-N 1 3 300.447 -0.084 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]CCCO3)CC2)NC1 ZINC001221392425 979411291 /nfs/dbraw/zinc/41/12/91/979411291.db2.gz WEPZZBVCTPMXAW-HNNXBMFYSA-N 1 3 306.410 -0.067 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]C[C@H](O)C3)CC2)NC1 ZINC001221392664 979411333 /nfs/dbraw/zinc/41/13/33/979411333.db2.gz YTFMPOMNPGMCRD-TZMCWYRMSA-N 1 3 306.410 -0.475 20 0 DBADHO CC[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001221381211 979412392 /nfs/dbraw/zinc/41/23/92/979412392.db2.gz ZHJQNUVBTKUICI-AGIUHOORSA-N 1 3 314.430 -0.679 20 0 DBADHO C[NH+](C)CC1CCC(NC(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001221402412 979413353 /nfs/dbraw/zinc/41/33/53/979413353.db2.gz GJTYHGXBPKIVAT-RUXDESIVSA-N 1 3 310.442 -0.447 20 0 DBADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@H]2COC3(CNC3)CN2)c1 ZINC001221403275 979415964 /nfs/dbraw/zinc/41/59/64/979415964.db2.gz AVJDMHGIYWMQOU-ZIAGYGMSSA-N 1 3 320.393 -0.858 20 0 DBADHO C(c1nc2c(s1)C[NH2+]CC2)N1CCOC[C@]2(CNCCO2)C1 ZINC001222192288 979498988 /nfs/dbraw/zinc/49/89/88/979498988.db2.gz UVWTVMSBNGQTCS-HNNXBMFYSA-N 1 3 324.450 -0.020 20 0 DBADHO O=C1CN(Cc2nc3c(s2)CNCC3)[C@]2(CC[NH2+]C2)CN1 ZINC001222374327 979509163 /nfs/dbraw/zinc/50/91/63/979509163.db2.gz RCRDLKRSGIPDHH-AWEZNQCLSA-N 1 3 307.423 -0.547 20 0 DBADHO COC(=O)[C@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001222422694 979511581 /nfs/dbraw/zinc/51/15/81/979511581.db2.gz XGGGWLQARIRJJF-CQSZACIVSA-N 1 3 319.409 -0.562 20 0 DBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC001331169093 979862491 /nfs/dbraw/zinc/86/24/91/979862491.db2.gz NIYOOJVIQGCPOV-AAVRWANBSA-N 1 3 308.426 -0.027 20 0 DBADHO CC(C)([NH3+])CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001347072939 980195249 /nfs/dbraw/zinc/19/52/49/980195249.db2.gz DIEIMBUZIYBFBA-GFCCVEGCSA-N 1 3 312.414 -0.791 20 0 DBADHO CCN1CCN(C2CN(C(=O)C3CN(C)CC[N@H+](C)C3)C2)CC1 ZINC001347440515 980220561 /nfs/dbraw/zinc/22/05/61/980220561.db2.gz IBUBNODQUVFULS-UHFFFAOYSA-N 1 3 323.485 -0.672 20 0 DBADHO CCN1CCN(C2CN(C(=O)C3CN(C)CC[N@@H+](C)C3)C2)CC1 ZINC001347440515 980220568 /nfs/dbraw/zinc/22/05/68/980220568.db2.gz IBUBNODQUVFULS-UHFFFAOYSA-N 1 3 323.485 -0.672 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]1C1CC1 ZINC001347567253 980232744 /nfs/dbraw/zinc/23/27/44/980232744.db2.gz HMTDKAKFSRAZLD-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001350069225 980537481 /nfs/dbraw/zinc/53/74/81/980537481.db2.gz JESNHGOZAZQCLG-GFCCVEGCSA-N 1 3 307.398 -0.165 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001350069225 980537486 /nfs/dbraw/zinc/53/74/86/980537486.db2.gz JESNHGOZAZQCLG-GFCCVEGCSA-N 1 3 307.398 -0.165 20 0 DBADHO CN1CCN(CCCCNC(=O)c2ccn(CCC[NH3+])n2)CC1 ZINC001357430493 981060307 /nfs/dbraw/zinc/06/03/07/981060307.db2.gz HAVRULGNBVVUGE-UHFFFAOYSA-N 1 3 322.457 -0.011 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3C[C@H]3C(N)=O)CC2)CC1 ZINC001362087720 981415731 /nfs/dbraw/zinc/41/57/31/981415731.db2.gz QENDIAZSJTVWIR-KGLIPLIRSA-N 1 3 308.426 -0.217 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001530648442 1014761471 /nfs/dbraw/zinc/76/14/71/1014761471.db2.gz FRLJRVWSMNZDFF-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001530648442 1014761475 /nfs/dbraw/zinc/76/14/75/1014761475.db2.gz FRLJRVWSMNZDFF-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001530769889 1014796664 /nfs/dbraw/zinc/79/66/64/1014796664.db2.gz QBXUKTLSXSQVDS-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CCCN(C)CC(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001530769889 1014796681 /nfs/dbraw/zinc/79/66/81/1014796681.db2.gz QBXUKTLSXSQVDS-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(CCC[NH+](C)C)CCNC(=O)CN(C)[C@@H]1CCC[C@H]1O ZINC001363917022 982717310 /nfs/dbraw/zinc/71/73/10/982717310.db2.gz ZZXDUZUGKFYOPS-HUUCEWRRSA-N 1 3 314.474 -0.169 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001365990757 983644469 /nfs/dbraw/zinc/64/44/69/983644469.db2.gz DTNOOLXEBWKKGP-HUUCEWRRSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001365990757 983644480 /nfs/dbraw/zinc/64/44/80/983644480.db2.gz DTNOOLXEBWKKGP-HUUCEWRRSA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001366360496 983810836 /nfs/dbraw/zinc/81/08/36/983810836.db2.gz USCDABWVQHZAII-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001366360496 983810840 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C[C@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366867854 984030359 /nfs/dbraw/zinc/03/03/59/984030359.db2.gz UYJXXIVVHHRXSB-OLZOCXBDSA-N 1 3 310.442 -0.018 20 0 DBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001366897888 984047508 /nfs/dbraw/zinc/04/75/08/984047508.db2.gz JAYLVKGJLXBRHE-LXTVHRRPSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001366897888 984047521 /nfs/dbraw/zinc/04/75/21/984047521.db2.gz JAYLVKGJLXBRHE-LXTVHRRPSA-N 1 3 313.442 -0.086 20 0 DBADHO CNC(=O)CNC[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367200294 984212267 /nfs/dbraw/zinc/21/22/67/984212267.db2.gz SOGRFBAVVOWNLU-WBMJQRKESA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367200294 984212277 /nfs/dbraw/zinc/21/22/77/984212277.db2.gz SOGRFBAVVOWNLU-WBMJQRKESA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001367395025 984298043 /nfs/dbraw/zinc/29/80/43/984298043.db2.gz IRJPGDAGNSBVSA-GFCCVEGCSA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001367488080 984319524 /nfs/dbraw/zinc/31/95/24/984319524.db2.gz CWMMTDAZUFNANE-NSHDSACASA-N 1 3 315.418 -0.748 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001367605691 984438160 /nfs/dbraw/zinc/43/81/60/984438160.db2.gz MIPPQLJEAKCGDJ-NWDGAFQWSA-N 1 3 314.430 -0.938 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCc1cnn(C)c1)[NH+](C)C ZINC001367624248 984484068 /nfs/dbraw/zinc/48/40/68/984484068.db2.gz QGYQERLRLBYWQT-UONOGXRCSA-N 1 3 311.430 -0.427 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN1C(=O)CN(C)C(C)C ZINC001368113298 984876716 /nfs/dbraw/zinc/87/67/16/984876716.db2.gz BXXCKURFCKOBQT-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)[NH+]1CCCC1 ZINC001368276877 985021750 /nfs/dbraw/zinc/02/17/50/985021750.db2.gz QLHHDZVKPRXXPA-ZBFHGGJFSA-N 1 3 313.442 -0.348 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@@H](C)COC)C1 ZINC001368278133 985025399 /nfs/dbraw/zinc/02/53/99/985025399.db2.gz LDKPBWWZMRWMHK-ZFWWWQNUSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@@H](C)COC)C1 ZINC001368278133 985025415 /nfs/dbraw/zinc/02/54/15/985025415.db2.gz LDKPBWWZMRWMHK-ZFWWWQNUSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1nncn1C ZINC001368344493 985104441 /nfs/dbraw/zinc/10/44/41/985104441.db2.gz BTKOLSURBTUXBG-STQMWFEESA-N 1 3 308.430 -0.049 20 0 DBADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1)N(C)C ZINC001368481939 985215246 /nfs/dbraw/zinc/21/52/46/985215246.db2.gz BHZZBRMOPDQULA-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CN[C@@H](C)C(=O)NC)C1 ZINC001368506834 985229727 /nfs/dbraw/zinc/22/97/27/985229727.db2.gz GKEFOIBKUUHPLO-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CN[C@@H](C)C(=O)NC)C1 ZINC001368506834 985229741 /nfs/dbraw/zinc/22/97/41/985229741.db2.gz GKEFOIBKUUHPLO-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001368510031 985231870 /nfs/dbraw/zinc/23/18/70/985231870.db2.gz MIXONIKJKKRNMK-OLZOCXBDSA-N 1 3 314.430 -0.768 20 0 DBADHO C[NH+]1CCC(CC(=O)N2CCO[C@H](CNCC(N)=O)C2)CC1 ZINC001368522175 985244724 /nfs/dbraw/zinc/24/47/24/985244724.db2.gz CTMPWDDLOCRJMN-CYBMUJFWSA-N 1 3 312.414 -0.979 20 0 DBADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)N(C)C ZINC001368647019 985327618 /nfs/dbraw/zinc/32/76/18/985327618.db2.gz ABQMQLWUBQQUOH-GXTWGEPZSA-N 1 3 310.442 -0.147 20 0 DBADHO COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001369080572 985704410 /nfs/dbraw/zinc/70/44/10/985704410.db2.gz FLZMDDMQINDAPV-JSGCOSHPSA-N 1 3 313.442 -0.086 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001369179340 985799442 /nfs/dbraw/zinc/79/94/42/985799442.db2.gz ZBZXANBYAXXOPF-MGPQQGTHSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001369306081 985854580 /nfs/dbraw/zinc/85/45/80/985854580.db2.gz OVVQNEJYDYRIHB-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001369306081 985854590 /nfs/dbraw/zinc/85/45/90/985854590.db2.gz OVVQNEJYDYRIHB-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CCc2cnn(C)c2)CCC1 ZINC001369323946 985887429 /nfs/dbraw/zinc/88/74/29/985887429.db2.gz NDBJMCYHMFEQGB-AWEZNQCLSA-N 1 3 323.441 -0.486 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001490958418 1015171221 /nfs/dbraw/zinc/17/12/21/1015171221.db2.gz YGOYXZPBHGGQMZ-RBSFLKMASA-N 1 3 323.441 -0.179 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001533426455 1015172446 /nfs/dbraw/zinc/17/24/46/1015172446.db2.gz YKAVHCAVEPWICT-SFAKSCPVSA-N 1 3 320.437 -0.035 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001369402199 986050974 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CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001371470131 987369620 /nfs/dbraw/zinc/36/96/20/987369620.db2.gz DJUASGYCFJMRJQ-CHWSQXEVSA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC1CC1 ZINC001371537557 987406050 /nfs/dbraw/zinc/40/60/50/987406050.db2.gz JFHMNISBUVHHCY-OCCSQVGLSA-N 1 3 320.437 -0.060 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C[C@@H](O)COC)C1)N(C)C ZINC001372664956 987840700 /nfs/dbraw/zinc/84/07/00/987840700.db2.gz WKTCWCFTRBEQSL-MJBXVCDLSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1)N(C)C ZINC001372664956 987840702 /nfs/dbraw/zinc/84/07/02/987840702.db2.gz WKTCWCFTRBEQSL-MJBXVCDLSA-N 1 3 301.431 -0.228 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001373144844 988123589 /nfs/dbraw/zinc/12/35/89/988123589.db2.gz BDQDTECDEXIMCX-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001373228971 988159892 /nfs/dbraw/zinc/15/98/92/988159892.db2.gz VKVZHNOTNZCBPP-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001373228971 988159903 /nfs/dbraw/zinc/15/99/03/988159903.db2.gz VKVZHNOTNZCBPP-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001373295341 988208664 /nfs/dbraw/zinc/20/86/64/988208664.db2.gz UYEGNVOCOICUCP-SOUVJXGZSA-N 1 3 313.442 -0.132 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001373295341 988208673 /nfs/dbraw/zinc/20/86/73/988208673.db2.gz UYEGNVOCOICUCP-SOUVJXGZSA-N 1 3 313.442 -0.132 20 0 DBADHO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373301561 988215061 /nfs/dbraw/zinc/21/50/61/988215061.db2.gz QEAYCEZLIOFNOX-JSGCOSHPSA-N 1 3 310.398 -0.260 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373301561 988215074 /nfs/dbraw/zinc/21/50/74/988215074.db2.gz QEAYCEZLIOFNOX-JSGCOSHPSA-N 1 3 310.398 -0.260 20 0 DBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001373381944 988296814 /nfs/dbraw/zinc/29/68/14/988296814.db2.gz JUPBBZVNNMXOKY-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001373381944 988296834 /nfs/dbraw/zinc/29/68/34/988296834.db2.gz JUPBBZVNNMXOKY-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001373402537 988315594 /nfs/dbraw/zinc/31/55/94/988315594.db2.gz JUPBBZVNNMXOKY-QLFBSQMISA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001373402537 988315612 /nfs/dbraw/zinc/31/56/12/988315612.db2.gz JUPBBZVNNMXOKY-QLFBSQMISA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001373531361 988426943 /nfs/dbraw/zinc/42/69/43/988426943.db2.gz UPKKRSOCQVEJMV-AWEZNQCLSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373591131 988473570 /nfs/dbraw/zinc/47/35/70/988473570.db2.gz CFEHRGIUXBAYNF-SOUVJXGZSA-N 1 3 311.426 -0.474 20 0 DBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373626333 988503022 /nfs/dbraw/zinc/50/30/22/988503022.db2.gz CFEHRGIUXBAYNF-RBSFLKMASA-N 1 3 311.426 -0.474 20 0 DBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001373821742 988644068 /nfs/dbraw/zinc/64/40/68/988644068.db2.gz PABVROBBTURUEG-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001373821742 988644095 /nfs/dbraw/zinc/64/40/95/988644095.db2.gz PABVROBBTURUEG-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001373821736 988644757 /nfs/dbraw/zinc/64/47/57/988644757.db2.gz PABVROBBTURUEG-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001373821736 988644773 /nfs/dbraw/zinc/64/47/73/988644773.db2.gz PABVROBBTURUEG-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO O=C(CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2)NC1CC1 ZINC001373972401 988700404 /nfs/dbraw/zinc/70/04/04/988700404.db2.gz QYQQBYZJTZFPPM-CQSZACIVSA-N 1 3 320.437 -0.059 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001373974567 988705223 /nfs/dbraw/zinc/70/52/23/988705223.db2.gz OIQYLNVXMMBDNV-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)N2CCC2)C1 ZINC001373974567 988705238 /nfs/dbraw/zinc/70/52/38/988705238.db2.gz OIQYLNVXMMBDNV-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001374278743 988844755 /nfs/dbraw/zinc/84/47/55/988844755.db2.gz HNNCKUCXTOTNEW-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374278743 988844758 /nfs/dbraw/zinc/84/47/58/988844758.db2.gz HNNCKUCXTOTNEW-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)NC(=O)NC ZINC001374306774 988855096 /nfs/dbraw/zinc/85/50/96/988855096.db2.gz NCVBHEZCXUUNIS-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CNCC(=O)NC(=O)NC ZINC001374306774 988855098 /nfs/dbraw/zinc/85/50/98/988855098.db2.gz NCVBHEZCXUUNIS-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374314009 988857082 /nfs/dbraw/zinc/85/70/82/988857082.db2.gz QGGDRROFVBMWHY-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374314009 988857084 /nfs/dbraw/zinc/85/70/84/988857084.db2.gz QGGDRROFVBMWHY-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001374506103 988891527 /nfs/dbraw/zinc/89/15/27/988891527.db2.gz SWBYHZLLONABEY-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001374506103 988891529 /nfs/dbraw/zinc/89/15/29/988891529.db2.gz SWBYHZLLONABEY-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNCc1cnns1 ZINC001374617849 989033100 /nfs/dbraw/zinc/03/31/00/989033100.db2.gz MNYCGEYHHLPVKD-CMPLNLGQSA-N 1 3 313.427 -0.411 20 0 DBADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)CNCc1cnns1 ZINC001374617849 989033112 /nfs/dbraw/zinc/03/31/12/989033112.db2.gz MNYCGEYHHLPVKD-CMPLNLGQSA-N 1 3 313.427 -0.411 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CN[C@@H](C)C(N)=O)CC1 ZINC001374662784 989108571 /nfs/dbraw/zinc/10/85/71/989108571.db2.gz PUTTXHLBDRRXNW-WCQYABFASA-N 1 3 314.430 -0.953 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@@H](C)C(N)=O)CC1 ZINC001374662779 989108715 /nfs/dbraw/zinc/10/87/15/989108715.db2.gz PUTTXHLBDRRXNW-AAEUAGOBSA-N 1 3 314.430 -0.953 20 0 DBADHO CC(C)[C@@H](C(=O)NC1CN(C(=O)[C@H]2CCCN2C)C1)[NH+](C)C ZINC001374677083 989128287 /nfs/dbraw/zinc/12/82/87/989128287.db2.gz QWQASNHWIDJTFM-KGLIPLIRSA-N 1 3 310.442 -0.006 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)CC[NH+]2CCCCC2)n[nH]1 ZINC001374680670 989132901 /nfs/dbraw/zinc/13/29/01/989132901.db2.gz BUKSZOYKOSEOMZ-CYBMUJFWSA-N 1 3 324.429 -0.444 20 0 DBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001374756541 989191707 /nfs/dbraw/zinc/19/17/07/989191707.db2.gz OEULLMSJACQZMX-BXUZGUMPSA-N 1 3 308.426 -0.299 20 0 DBADHO CC[C@@H](C(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001374773539 989202356 /nfs/dbraw/zinc/20/23/56/989202356.db2.gz TWYBMAYCOXMMPI-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](C(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001374773539 989202362 /nfs/dbraw/zinc/20/23/62/989202362.db2.gz TWYBMAYCOXMMPI-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001374833372 989251570 /nfs/dbraw/zinc/25/15/70/989251570.db2.gz MHRJTYPSABFJIE-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374833372 989251577 /nfs/dbraw/zinc/25/15/77/989251577.db2.gz MHRJTYPSABFJIE-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001374960452 989335436 /nfs/dbraw/zinc/33/54/36/989335436.db2.gz OKOJUKXGPCAHRQ-LBPRGKRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001374982315 989345552 /nfs/dbraw/zinc/34/55/52/989345552.db2.gz XZFNPKADCOABBT-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001375516109 989637627 /nfs/dbraw/zinc/63/76/27/989637627.db2.gz YJZJDRSMRCHFTE-APIJFGDWSA-N 1 3 313.442 -0.180 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN([C@H]3CCCNC3=O)C[C@H]2C1 ZINC001375630193 989699498 /nfs/dbraw/zinc/69/94/98/989699498.db2.gz FWESWYMYLWMPAZ-ILXRZTDVSA-N 1 3 322.453 -0.003 20 0 DBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001375659152 989723734 /nfs/dbraw/zinc/72/37/34/989723734.db2.gz LDKYVKJXZMWRRA-SNPRPXQTSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001375888136 989821159 /nfs/dbraw/zinc/82/11/59/989821159.db2.gz IMVUEWPPVPFYCS-DZGCQCFKSA-N 1 3 310.398 -0.212 20 0 DBADHO C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)N1CCCCCC1 ZINC001376080263 989870623 /nfs/dbraw/zinc/87/06/23/989870623.db2.gz JUWKWRNLJYCSSE-GOEBONIOSA-N 1 3 313.442 -0.204 20 0 DBADHO C[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)N1CCCCCC1 ZINC001376080263 989870628 /nfs/dbraw/zinc/87/06/28/989870628.db2.gz JUWKWRNLJYCSSE-GOEBONIOSA-N 1 3 313.442 -0.204 20 0 DBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001376226716 989965411 /nfs/dbraw/zinc/96/54/11/989965411.db2.gz YHQZHDDSYQXEDO-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001376312154 990011831 /nfs/dbraw/zinc/01/18/31/990011831.db2.gz AVKKLSYTLTVULI-UONOGXRCSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001376368474 990037168 /nfs/dbraw/zinc/03/71/68/990037168.db2.gz RFNATLXWPZPFOL-QWHCGFSZSA-N 1 3 308.430 -0.049 20 0 DBADHO CC[C@H](C(=O)NCCN1CCC([NH2+]C[C@H](C)O)CC1)N(C)C ZINC001376427466 990059157 /nfs/dbraw/zinc/05/91/57/990059157.db2.gz VYMCVXFBKVLAKS-DZGCQCFKSA-N 1 3 314.474 -0.122 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21)N(C)C ZINC001376652542 990248119 /nfs/dbraw/zinc/24/81/19/990248119.db2.gz RWPXBWOSLOSNMH-KHMAMNHCSA-N 1 3 322.453 -0.006 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21)N(C)C ZINC001376652542 990248131 /nfs/dbraw/zinc/24/81/31/990248131.db2.gz RWPXBWOSLOSNMH-KHMAMNHCSA-N 1 3 322.453 -0.006 20 0 DBADHO CCNC(=O)CN[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001376824762 990335028 /nfs/dbraw/zinc/33/50/28/990335028.db2.gz CFBFKKUEHJOIOX-GFCCVEGCSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@H](NC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1)C(N)=O ZINC001376838661 990341216 /nfs/dbraw/zinc/34/12/16/990341216.db2.gz HTOXHJMHYSDYOG-STQMWFEESA-N 1 3 324.425 -0.694 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001376845538 990345986 /nfs/dbraw/zinc/34/59/86/990345986.db2.gz QXTYNAXYWGRNEH-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001376845538 990345993 /nfs/dbraw/zinc/34/59/93/990345993.db2.gz QXTYNAXYWGRNEH-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001376848501 990347693 /nfs/dbraw/zinc/34/76/93/990347693.db2.gz KSPZOHLQEJXKSP-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCCN(C)C1=O ZINC001376856343 990353653 /nfs/dbraw/zinc/35/36/53/990353653.db2.gz QWVDNAJDIAEMQX-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001376902249 990376794 /nfs/dbraw/zinc/37/67/94/990376794.db2.gz KZOHTKKKOSHHMQ-NWDGAFQWSA-N 1 3 302.394 -0.397 20 0 DBADHO C[C@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCS(C)(=O)=O ZINC001377034660 990424452 /nfs/dbraw/zinc/42/44/52/990424452.db2.gz HLZHWXSVIHFFFB-GFCCVEGCSA-N 1 3 319.471 0.000 20 0 DBADHO CC[C@H](C(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCOCC1)N(C)C ZINC001377198193 990480611 /nfs/dbraw/zinc/48/06/11/990480611.db2.gz NHPZVPDWKBQVHR-VXGBXAGGSA-N 1 3 314.430 -0.545 20 0 DBADHO CCNC(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001377274601 990513180 /nfs/dbraw/zinc/51/31/80/990513180.db2.gz KYQIXELQRDMTTK-STQMWFEESA-N 1 3 310.442 -0.099 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCCS(C)(=O)=O)[C@@H](C)C1 ZINC001377290382 990519242 /nfs/dbraw/zinc/51/92/42/990519242.db2.gz WXWYCUNBBCPNHR-STQMWFEESA-N 1 3 319.471 -0.191 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCCS(C)(=O)=O)[C@@H](C)C1 ZINC001377290382 990519249 /nfs/dbraw/zinc/51/92/49/990519249.db2.gz WXWYCUNBBCPNHR-STQMWFEESA-N 1 3 319.471 -0.191 20 0 DBADHO CN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377579881 990663512 /nfs/dbraw/zinc/66/35/12/990663512.db2.gz PCKVDBDWSRRKOX-KGLIPLIRSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)NCC(=O)N1CCOCC1 ZINC001377851144 990757170 /nfs/dbraw/zinc/75/71/70/990757170.db2.gz RQGDDRYDJXGQRL-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H](NCC(=O)N1CCOCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377851139 990757227 /nfs/dbraw/zinc/75/72/27/990757227.db2.gz RQGDDRYDJXGQRL-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCN1CCNC1=O ZINC001378189816 990878731 /nfs/dbraw/zinc/87/87/31/990878731.db2.gz PWGHDRZJTQPPAH-CYBMUJFWSA-N 1 3 323.441 -0.456 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2ccnn2C)CC[N@@H+]1C ZINC001496978597 1017157721 /nfs/dbraw/zinc/15/77/21/1017157721.db2.gz GSEWFQAEQFKNBG-MRVWCRGKSA-N 1 3 309.414 -0.673 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2ccnn2C)CC[N@H+]1C ZINC001496978597 1017157731 /nfs/dbraw/zinc/15/77/31/1017157731.db2.gz GSEWFQAEQFKNBG-MRVWCRGKSA-N 1 3 309.414 -0.673 20 0 DBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001378893201 991232020 /nfs/dbraw/zinc/23/20/20/991232020.db2.gz AUAAFSOVZHYDLV-WCQYABFASA-N 1 3 307.398 -0.133 20 0 DBADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001379003922 991269440 /nfs/dbraw/zinc/26/94/40/991269440.db2.gz CERPNFDWGXBFGF-QWHCGFSZSA-N 1 3 319.471 -0.287 20 0 DBADHO CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001379003922 991269458 /nfs/dbraw/zinc/26/94/58/991269458.db2.gz CERPNFDWGXBFGF-QWHCGFSZSA-N 1 3 319.471 -0.287 20 0 DBADHO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001379084437 991321661 /nfs/dbraw/zinc/32/16/61/991321661.db2.gz SWBYHZLLONABEY-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001379084437 991321663 /nfs/dbraw/zinc/32/16/63/991321663.db2.gz SWBYHZLLONABEY-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)n[nH]1 ZINC001379231595 991456144 /nfs/dbraw/zinc/45/61/44/991456144.db2.gz MZOVIVCTFRMNHF-WCFLWFBJSA-N 1 3 324.429 -0.590 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)n[nH]1 ZINC001379231595 991456151 /nfs/dbraw/zinc/45/61/51/991456151.db2.gz MZOVIVCTFRMNHF-WCFLWFBJSA-N 1 3 324.429 -0.590 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001379266275 991498504 /nfs/dbraw/zinc/49/85/04/991498504.db2.gz POXLDRDDVQVZIV-QWRGUYRKSA-N 1 3 315.418 -0.652 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001379266275 991498508 /nfs/dbraw/zinc/49/85/08/991498508.db2.gz POXLDRDDVQVZIV-QWRGUYRKSA-N 1 3 315.418 -0.652 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001379285872 991517066 /nfs/dbraw/zinc/51/70/66/991517066.db2.gz FSKWISBARUWGJQ-OAHLLOKOSA-N 1 3 323.441 -0.137 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001379299349 991527280 /nfs/dbraw/zinc/52/72/80/991527280.db2.gz XLXNTEWRVIAJHT-CHWSQXEVSA-N 1 3 314.430 -0.986 20 0 DBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379303129 991530080 /nfs/dbraw/zinc/53/00/80/991530080.db2.gz IHMDDXKNHJGIMS-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379303155 991530571 /nfs/dbraw/zinc/53/05/71/991530571.db2.gz IHMDDXKNHJGIMS-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001379418409 991648692 /nfs/dbraw/zinc/64/86/92/991648692.db2.gz NVZVIJUXDMTQPK-UPJWGTAASA-N 1 3 319.471 -0.144 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379507578 991744528 /nfs/dbraw/zinc/74/45/28/991744528.db2.gz KFEHFXGWTSCUSM-WDEREUQCSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379507578 991744532 /nfs/dbraw/zinc/74/45/32/991744532.db2.gz KFEHFXGWTSCUSM-WDEREUQCSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379507573 991746573 /nfs/dbraw/zinc/74/65/73/991746573.db2.gz KFEHFXGWTSCUSM-QWRGUYRKSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379507573 991746580 /nfs/dbraw/zinc/74/65/80/991746580.db2.gz KFEHFXGWTSCUSM-QWRGUYRKSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@@H](C[NH2+]C[C@H](O)Cn1cccn1)NC(=O)C1(N(C)C)CCC1 ZINC001379517524 991758653 /nfs/dbraw/zinc/75/86/53/991758653.db2.gz UBXVJEMPIUSZQO-KBPBESRZSA-N 1 3 323.441 -0.177 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(=O)NC ZINC001379577745 991803639 /nfs/dbraw/zinc/80/36/39/991803639.db2.gz DRDALAOPKNVVAJ-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(=O)NC ZINC001379577745 991803643 /nfs/dbraw/zinc/80/36/43/991803643.db2.gz DRDALAOPKNVVAJ-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO CN(C[C@H](O)C[NH2+]C[C@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001379837602 991951800 /nfs/dbraw/zinc/95/18/00/991951800.db2.gz GYFZSZQDRAWUCU-TZMCWYRMSA-N 1 3 310.398 -0.212 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]C[C@@H](O)COC)N(C)C ZINC001380284189 992231412 /nfs/dbraw/zinc/23/14/12/992231412.db2.gz HBRQDAJIPUBINU-BFHYXJOUSA-N 1 3 301.431 -0.086 20 0 DBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001380287372 992235482 /nfs/dbraw/zinc/23/54/82/992235482.db2.gz OYUNUKPSEASFAN-CYBMUJFWSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)[C@H](C(=O)NCC1([NH2+]CCO)CCOCC1)N(C)C ZINC001380504483 992338056 /nfs/dbraw/zinc/33/80/56/992338056.db2.gz IVSJLRASDNJQRC-CYBMUJFWSA-N 1 3 301.431 -0.180 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(CCn3cccn3)C2)C1 ZINC001380574100 992405899 /nfs/dbraw/zinc/40/58/99/992405899.db2.gz PBJMWJUKYUAMHZ-ZBFHGGJFSA-N 1 3 321.425 -0.612 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@]2(O)CCN(CCn3cccn3)C2)C1 ZINC001380574100 992405904 /nfs/dbraw/zinc/40/59/04/992405904.db2.gz PBJMWJUKYUAMHZ-ZBFHGGJFSA-N 1 3 321.425 -0.612 20 0 DBADHO Cn1nccc1[C@H]1[C@@H](NC[C@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1C ZINC001549284011 1015714396 /nfs/dbraw/zinc/71/43/96/1015714396.db2.gz ADRWURBTCJNWSD-TYNCELHUSA-N 1 3 319.409 -0.198 20 0 DBADHO CC[N@H+](C)CCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001380892603 992576023 /nfs/dbraw/zinc/57/60/23/992576023.db2.gz IVHJSPUDOXEASF-UHFFFAOYSA-N 1 3 313.402 -0.848 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001380892603 992576029 /nfs/dbraw/zinc/57/60/29/992576029.db2.gz IVHJSPUDOXEASF-UHFFFAOYSA-N 1 3 313.402 -0.848 20 0 DBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001380909129 992583683 /nfs/dbraw/zinc/58/36/83/992583683.db2.gz LJQQZCBKEQKKTF-OLZOCXBDSA-N 1 3 312.414 -0.837 20 0 DBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001380909129 992583685 /nfs/dbraw/zinc/58/36/85/992583685.db2.gz LJQQZCBKEQKKTF-OLZOCXBDSA-N 1 3 312.414 -0.837 20 0 DBADHO C[C@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001381049814 992643799 /nfs/dbraw/zinc/64/37/99/992643799.db2.gz YTGNXZWSIXNFDQ-DZGCQCFKSA-N 1 3 313.442 -0.205 20 0 DBADHO CCCN(C)CC(=O)NC1(C[NH2+][C@@H](C)C(N)=O)CCOCC1 ZINC001381071016 992653551 /nfs/dbraw/zinc/65/35/51/992653551.db2.gz XLYQDARLGHXLGT-LBPRGKRZSA-N 1 3 314.430 -0.543 20 0 DBADHO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)CN2CC[C@@H](C)C2)CC1 ZINC001381156344 992690191 /nfs/dbraw/zinc/69/01/91/992690191.db2.gz NOAZKFOHSHXXRE-ZIAGYGMSSA-N 1 3 313.442 -0.348 20 0 DBADHO COC[C@H](O)CN1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001381800259 992885250 /nfs/dbraw/zinc/88/52/50/992885250.db2.gz CHMNRUSWYYNTBH-GXTWGEPZSA-N 1 3 313.442 -0.228 20 0 DBADHO CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H](CNCC(N)=O)C1CC1 ZINC001382016443 992957914 /nfs/dbraw/zinc/95/79/14/992957914.db2.gz FNLGZLRSICXTJC-KGLIPLIRSA-N 1 3 308.426 -0.360 20 0 DBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001382074511 992979439 /nfs/dbraw/zinc/97/94/39/992979439.db2.gz XHOZVSQVNIESHS-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO C[C@@H](CN(C)C(=O)c1cnn(CC[NH+](C)C)c1)N[C@@H](C)C(N)=O ZINC001382133723 993001502 /nfs/dbraw/zinc/00/15/02/993001502.db2.gz PQDLWCNSNHWOLX-RYUDHWBXSA-N 1 3 324.429 -0.631 20 0 DBADHO COC[C@@H](C)[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001382243725 993084892 /nfs/dbraw/zinc/08/48/92/993084892.db2.gz LHNYBWQBRWWRQS-OLZOCXBDSA-N 1 3 301.431 -0.038 20 0 DBADHO [NH3+][C@H]1CCN(c2cccc(CNC(=O)C[C@H]3CNCCO3)n2)C1 ZINC001549727504 1015763272 /nfs/dbraw/zinc/76/32/72/1015763272.db2.gz XRLKTRZZRLRGBY-JSGCOSHPSA-N 1 3 319.409 -0.386 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cnn(C)c2)CCC1 ZINC001382403491 993214601 /nfs/dbraw/zinc/21/46/01/993214601.db2.gz KZNIRAMSMPQNNZ-CQSZACIVSA-N 1 3 323.441 -0.187 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382438082 993255152 /nfs/dbraw/zinc/25/51/52/993255152.db2.gz DHFHQKAGIXULHX-GXTWGEPZSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382438082 993255162 /nfs/dbraw/zinc/25/51/62/993255162.db2.gz DHFHQKAGIXULHX-GXTWGEPZSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382447091 993270983 /nfs/dbraw/zinc/27/09/83/993270983.db2.gz XAZIJZIWIQWSDL-DZGCQCFKSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382447091 993270998 /nfs/dbraw/zinc/27/09/98/993270998.db2.gz XAZIJZIWIQWSDL-DZGCQCFKSA-N 1 3 306.410 -0.058 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC001550077812 1015786543 /nfs/dbraw/zinc/78/65/43/1015786543.db2.gz RHRKSCXXNANUDX-DZKIICNBSA-N 1 3 318.421 -0.042 20 0 DBADHO O=C(C[C@@H]1CCNC[C@@H]1F)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550086504 1015787194 /nfs/dbraw/zinc/78/71/94/1015787194.db2.gz AFTIRBXIRICLQH-UHTWSYAYSA-N 1 3 310.377 -0.234 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001550096137 1015791984 /nfs/dbraw/zinc/79/19/84/1015791984.db2.gz WFBAEFUMMMOPPG-RDBSUJKOSA-N 1 3 320.397 -0.627 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)nn1 ZINC001550096137 1015791991 /nfs/dbraw/zinc/79/19/91/1015791991.db2.gz WFBAEFUMMMOPPG-RDBSUJKOSA-N 1 3 320.397 -0.627 20 0 DBADHO COC[C@@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001550096268 1015792111 /nfs/dbraw/zinc/79/21/11/1015792111.db2.gz ILJOITOWHUQZAA-GXTWGEPZSA-N 1 3 308.386 -0.864 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001550096133 1015792329 /nfs/dbraw/zinc/79/23/29/1015792329.db2.gz WFBAEFUMMMOPPG-MGPQQGTHSA-N 1 3 320.397 -0.627 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001550096133 1015792334 /nfs/dbraw/zinc/79/23/34/1015792334.db2.gz WFBAEFUMMMOPPG-MGPQQGTHSA-N 1 3 320.397 -0.627 20 0 DBADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@@H]2[NH3+])c1 ZINC001550112883 1015793373 /nfs/dbraw/zinc/79/33/73/1015793373.db2.gz LRYIZLLZVFSTIH-XFMPKHEZSA-N 1 3 319.409 -0.464 20 0 DBADHO N[C@H](CC1CC1)C(=O)N[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550194705 1015799623 /nfs/dbraw/zinc/79/96/23/1015799623.db2.gz SZCIKOOSYUUJMV-IPYPFGDCSA-N 1 3 308.426 -0.123 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN([C@@H]2C[C@H]([NH3+])C[C@H]2O)CC1 ZINC001550438012 1015806098 /nfs/dbraw/zinc/80/60/98/1015806098.db2.gz MPXZYVLOLWCFTE-BFHYXJOUSA-N 1 3 310.442 -0.357 20 0 DBADHO O=C(NCc1cccc2c1CC[NH2+]C2)N1CCNC[C@H](O)C1 ZINC001550737638 1015812410 /nfs/dbraw/zinc/81/24/10/1015812410.db2.gz CNBZEEZYDOOEPO-AWEZNQCLSA-N 1 3 304.394 -0.192 20 0 DBADHO O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CCNC[C@@H](O)C1 ZINC001550764296 1015813688 /nfs/dbraw/zinc/81/36/88/1015813688.db2.gz MOUOXQCXOZIVLC-QWHCGFSZSA-N 1 3 312.414 -0.879 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755571 1015813700 /nfs/dbraw/zinc/81/37/00/1015813700.db2.gz JATOZAQQNKUKMZ-STQMWFEESA-N 1 3 312.414 -0.567 20 0 DBADHO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCNC[C@H](O)C1 ZINC001550758885 1015813756 /nfs/dbraw/zinc/81/37/56/1015813756.db2.gz XCNWRLUXAJYJSU-CABCVRRESA-N 1 3 304.394 -0.323 20 0 DBADHO CN1C[C@H](O)C[C@@H]1CNC(=O)N[C@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001551489662 1015828206 /nfs/dbraw/zinc/82/82/06/1015828206.db2.gz JQVALYLATMZJQT-RJZRQDKASA-N 1 3 304.394 -0.025 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCCN(C)C3)C[C@@H]2[NH3+])cn1 ZINC001552096249 1015839698 /nfs/dbraw/zinc/83/96/98/1015839698.db2.gz JMTGWLFGRUSERZ-IHRRRGAJSA-N 1 3 306.414 -0.050 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCN3C)C[C@@H]2[NH3+])cn1 ZINC001552096199 1015840342 /nfs/dbraw/zinc/84/03/42/1015840342.db2.gz JBSPKCXRNPGKHH-RDBSUJKOSA-N 1 3 306.414 -0.050 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001385277160 994434389 /nfs/dbraw/zinc/43/43/89/994434389.db2.gz FOKZXRQSFYTWAJ-UHFFFAOYSA-N 1 3 307.398 -0.035 20 0 DBADHO COC[C@@H](O)CN1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001401194596 994475759 /nfs/dbraw/zinc/47/57/59/994475759.db2.gz OLSBCDKEFQYKAE-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(C)[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C)C[C@H]1n1ccnn1 ZINC001552603873 1015864550 /nfs/dbraw/zinc/86/45/50/1015864550.db2.gz XPTUZWPCVGVWDM-MGPQQGTHSA-N 1 3 321.429 -0.131 20 0 DBADHO CN(C)[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+]2C)C[C@H]1n1ccnn1 ZINC001552603873 1015864551 /nfs/dbraw/zinc/86/45/51/1015864551.db2.gz XPTUZWPCVGVWDM-MGPQQGTHSA-N 1 3 321.429 -0.131 20 0 DBADHO CCn1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001401543239 994629425 /nfs/dbraw/zinc/62/94/25/994629425.db2.gz QJZYFGACFFUUGL-LSDHHAIUSA-N 1 3 323.441 -0.046 20 0 DBADHO CCn1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001401543239 994629431 /nfs/dbraw/zinc/62/94/31/994629431.db2.gz QJZYFGACFFUUGL-LSDHHAIUSA-N 1 3 323.441 -0.046 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001401572636 994667929 /nfs/dbraw/zinc/66/79/29/994667929.db2.gz VRQXPNLZMVHHLK-CHWSQXEVSA-N 1 3 310.398 -0.104 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)c1cnc([C@H]2CCCN2)nc1 ZINC001553349660 1015885352 /nfs/dbraw/zinc/88/53/52/1015885352.db2.gz DIZWWQWTZIHWRY-CYBMUJFWSA-N 1 3 304.398 -0.464 20 0 DBADHO CN1CCN(C(=O)c2cnc([C@H]3CCCN3)nc2)[C@H](C[NH3+])C1 ZINC001553361045 1015886018 /nfs/dbraw/zinc/88/60/18/1015886018.db2.gz YDEIGUGFTNYIRY-CHWSQXEVSA-N 1 3 304.398 -0.384 20 0 DBADHO Cn1cnc([C@@H]2CN(C(=O)N[C@H]3CCCN(C)C3)C[C@H]2[NH3+])c1 ZINC001553441642 1015892431 /nfs/dbraw/zinc/89/24/31/1015892431.db2.gz WZSCAQHMDBMNJQ-YNEHKIRRSA-N 1 3 306.414 -0.050 20 0 DBADHO Cn1cnc([C@H]2CN(C(=O)N[C@H]3CCCN(C)C3)C[C@@H]2[NH3+])c1 ZINC001553441638 1015892735 /nfs/dbraw/zinc/89/27/35/1015892735.db2.gz WZSCAQHMDBMNJQ-AVGNSLFASA-N 1 3 306.414 -0.050 20 0 DBADHO CCN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401863918 994833345 /nfs/dbraw/zinc/83/33/45/994833345.db2.gz LAOGMIKMILSNBW-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C)C(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401863918 994833348 /nfs/dbraw/zinc/83/33/48/994833348.db2.gz LAOGMIKMILSNBW-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO C[NH+](C)CCC(=O)N1CCC([C@H]2CCN(CC(N)=O)C2)CC1 ZINC001401987592 994876117 /nfs/dbraw/zinc/87/61/17/994876117.db2.gz MKTYFZRXGKJACJ-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@]1(O)CCN(CCn2cccn2)C1 ZINC001402284923 995041514 /nfs/dbraw/zinc/04/15/14/995041514.db2.gz JBLWBDRIHPRCIX-OAHLLOKOSA-N 1 3 309.414 -0.612 20 0 DBADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)CC(C)(C)C ZINC001402291189 995048018 /nfs/dbraw/zinc/04/80/18/995048018.db2.gz JKANFDHGWOUMKR-MRXNPFEDSA-N 1 3 315.458 -0.100 20 0 DBADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)CC(C)(C)C ZINC001402291189 995048024 /nfs/dbraw/zinc/04/80/24/995048024.db2.gz JKANFDHGWOUMKR-MRXNPFEDSA-N 1 3 315.458 -0.100 20 0 DBADHO CCNC(=O)CN[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001402293967 995049469 /nfs/dbraw/zinc/04/94/69/995049469.db2.gz DOAWYTXPIHCFBA-HUUCEWRRSA-N 1 3 322.453 -0.051 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001402293961 995050889 /nfs/dbraw/zinc/05/08/89/995050889.db2.gz DOAWYTXPIHCFBA-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCN1CCC([NH2+]C[C@H](C)O)CC1 ZINC001402438560 995137950 /nfs/dbraw/zinc/13/79/50/995137950.db2.gz XYIIGEDTDLZNPX-LBPRGKRZSA-N 1 3 323.441 -0.188 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001402519625 995176260 /nfs/dbraw/zinc/17/62/60/995176260.db2.gz PKFJBWXXICPILF-JHJVBQTASA-N 1 3 317.455 -0.390 20 0 DBADHO CCN(C)C(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001402600430 995208661 /nfs/dbraw/zinc/20/86/61/995208661.db2.gz KUSWTVVZAZUWOC-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001402607791 995212489 /nfs/dbraw/zinc/21/24/89/995212489.db2.gz FPZFHOYMFCRVKU-KBPBESRZSA-N 1 3 317.430 -0.849 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@](CO)([NH2+]C[C@@H]2CCOC2)C1 ZINC001402732652 995265077 /nfs/dbraw/zinc/26/50/77/995265077.db2.gz WTPFNMAHNSQCGT-BBRMVZONSA-N 1 3 322.409 -0.068 20 0 DBADHO COC[C@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001402751924 995271482 /nfs/dbraw/zinc/27/14/82/995271482.db2.gz UVHDONRYAHHYOY-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCNC(=O)CNCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001402795635 995288719 /nfs/dbraw/zinc/28/87/19/995288719.db2.gz RKZIVEBVAPJOKG-UHFFFAOYSA-N 1 3 314.430 -0.983 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC(O)(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC001402807338 995291861 /nfs/dbraw/zinc/29/18/61/995291861.db2.gz WTMNPUWRRREWAZ-ZDUSSCGKSA-N 1 3 322.409 -0.068 20 0 DBADHO O=C(CCC[NH+]1CCCC1)NC1(CO)CCN(CCO)CC1 ZINC001402890571 995325186 /nfs/dbraw/zinc/32/51/86/995325186.db2.gz JIJITIFRNCNVEB-UHFFFAOYSA-N 1 3 313.442 -0.202 20 0 DBADHO C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NC(N)=O ZINC001403027076 995381041 /nfs/dbraw/zinc/38/10/41/995381041.db2.gz ZQMRSMBELGKYSA-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001403225187 995458723 /nfs/dbraw/zinc/45/87/23/995458723.db2.gz DOURHXMEMAUXRY-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC001387780890 995480836 /nfs/dbraw/zinc/48/08/36/995480836.db2.gz QDRLVHARIQHRSD-LSDHHAIUSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H](O)CN1CC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001403328396 995487874 /nfs/dbraw/zinc/48/78/74/995487874.db2.gz OWHWFPQQBGAYRK-OLZOCXBDSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@H](C(=O)NC1CC1)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001403395874 995506694 /nfs/dbraw/zinc/50/66/94/995506694.db2.gz ODRYWQQLIVAOND-NGFQHRJXSA-N 1 3 322.453 -0.101 20 0 DBADHO CCNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001403432929 995522775 /nfs/dbraw/zinc/52/27/75/995522775.db2.gz UEDNGCFHTVXCJS-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CCNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001403432925 995523483 /nfs/dbraw/zinc/52/34/83/995523483.db2.gz UEDNGCFHTVXCJS-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@@H](C)C1 ZINC001403508034 995546144 /nfs/dbraw/zinc/54/61/44/995546144.db2.gz HWHGKKTWKQSTAL-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001388275070 995648645 /nfs/dbraw/zinc/64/86/45/995648645.db2.gz MYYHMRCNVJLJKA-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001388275070 995648651 /nfs/dbraw/zinc/64/86/51/995648651.db2.gz MYYHMRCNVJLJKA-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001403725548 995674699 /nfs/dbraw/zinc/67/46/99/995674699.db2.gz UQQWRXFBJRQSCQ-CHWSQXEVSA-N 1 3 310.398 -0.246 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC001403725572 995674760 /nfs/dbraw/zinc/67/47/60/995674760.db2.gz UQQWRXFBJRQSCQ-OLZOCXBDSA-N 1 3 310.398 -0.246 20 0 DBADHO C[C@H]1[C@H](NCCS(C)(=O)=O)CCN1C(=O)CCC[NH+](C)C ZINC001403754108 995691348 /nfs/dbraw/zinc/69/13/48/995691348.db2.gz XSPOFNRBRXWZAB-QWHCGFSZSA-N 1 3 319.471 -0.048 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001403755849 995693072 /nfs/dbraw/zinc/69/30/72/995693072.db2.gz OROOQRIEHFYMNR-CQSZACIVSA-N 1 3 301.431 -0.180 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001388981721 995793560 /nfs/dbraw/zinc/79/35/60/995793560.db2.gz IBMORUPYJJCJRT-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001388981721 995793568 /nfs/dbraw/zinc/79/35/68/995793568.db2.gz IBMORUPYJJCJRT-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(C)C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001389683835 996068704 /nfs/dbraw/zinc/06/87/04/996068704.db2.gz FGALHTCGPFIWMG-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C)C(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389683835 996068710 /nfs/dbraw/zinc/06/87/10/996068710.db2.gz FGALHTCGPFIWMG-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CCCCN1C ZINC001493600045 1016005139 /nfs/dbraw/zinc/00/51/39/1016005139.db2.gz JNRMVMCEGHCKQK-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001390136467 996190605 /nfs/dbraw/zinc/19/06/05/996190605.db2.gz VOXQAIKJGMIQFC-OCCSQVGLSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001390136467 996190608 /nfs/dbraw/zinc/19/06/08/996190608.db2.gz VOXQAIKJGMIQFC-OCCSQVGLSA-N 1 3 310.442 -0.053 20 0 DBADHO CN1CCC[C@H](N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001391092489 996447478 /nfs/dbraw/zinc/44/74/78/996447478.db2.gz CVMPRAZTEDWPMJ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)CN(C)C(C)C ZINC001391224117 996495135 /nfs/dbraw/zinc/49/51/35/996495135.db2.gz DFTULDGYWWZHQC-LLVKDONJSA-N 1 3 315.418 -0.781 20 0 DBADHO O=C(CN1CCCC1)NCC[C@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001391330921 996515578 /nfs/dbraw/zinc/51/55/78/996515578.db2.gz SNXYLQAGEXLNNF-KBPBESRZSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CN1CCCC1)NCC[C@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001391330921 996515585 /nfs/dbraw/zinc/51/55/85/996515585.db2.gz SNXYLQAGEXLNNF-KBPBESRZSA-N 1 3 308.426 -0.201 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001391520280 996564581 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CC(C)(C(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCOC1)N1CCCC1 ZINC001392388952 996863164 /nfs/dbraw/zinc/86/31/64/996863164.db2.gz HRJJSZZHZBNTSR-UONOGXRCSA-N 1 3 313.442 -0.036 20 0 DBADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCOC1)N1CCCC1 ZINC001392388946 996863340 /nfs/dbraw/zinc/86/33/40/996863340.db2.gz HRJJSZZHZBNTSR-KGLIPLIRSA-N 1 3 313.442 -0.036 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001392611307 997081183 /nfs/dbraw/zinc/08/11/83/997081183.db2.gz YNHIWWNBIYTZEY-STQMWFEESA-N 1 3 319.471 -0.143 20 0 DBADHO CN(C)C(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001392796694 997219077 /nfs/dbraw/zinc/21/90/77/997219077.db2.gz FBGLYCPFZMANGH-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392796694 997219090 /nfs/dbraw/zinc/21/90/90/997219090.db2.gz FBGLYCPFZMANGH-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001392802766 997220507 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DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406226283 997595259 /nfs/dbraw/zinc/59/52/59/997595259.db2.gz VRLOWNXSQXMMEL-VHDGCEQUSA-N 1 3 323.441 -0.365 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406226283 997595266 /nfs/dbraw/zinc/59/52/66/997595266.db2.gz VRLOWNXSQXMMEL-VHDGCEQUSA-N 1 3 323.441 -0.365 20 0 DBADHO CCN(CCN[C@H]1CCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001406310725 997686903 /nfs/dbraw/zinc/68/69/03/997686903.db2.gz NNEBJHSPBQKZGO-KBPBESRZSA-N 1 3 308.426 -0.345 20 0 DBADHO CC[C@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)[NH+](CC)CC ZINC001393580189 997743617 /nfs/dbraw/zinc/74/36/17/997743617.db2.gz BSSQVRMVGYVEBC-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H](NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1)C(N)=O ZINC001393589529 997753236 /nfs/dbraw/zinc/75/32/36/997753236.db2.gz MKDBTZHXQXHXFG-DGCLKSJQSA-N 1 3 312.414 -0.981 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001394001856 997924791 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1000242425 /nfs/dbraw/zinc/24/24/25/1000242425.db2.gz OXJHUUJOYSRNJG-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420788948 1000242431 /nfs/dbraw/zinc/24/24/31/1000242431.db2.gz OXJHUUJOYSRNJG-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)CC[N@@H+]1C ZINC001420942001 1000304095 /nfs/dbraw/zinc/30/40/95/1000304095.db2.gz PRJWAXLWBOVILI-UPJWGTAASA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)CC[N@H+]1C ZINC001420942001 1000304104 /nfs/dbraw/zinc/30/41/04/1000304104.db2.gz PRJWAXLWBOVILI-UPJWGTAASA-N 1 3 308.426 -0.156 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001409063508 1000349652 /nfs/dbraw/zinc/34/96/52/1000349652.db2.gz DKDYAUZIGVZIOW-UHFFFAOYSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(CC(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001409066845 1000350138 /nfs/dbraw/zinc/35/01/38/1000350138.db2.gz OOQUZPMYKDJSQA-UHFFFAOYSA-N 1 3 320.437 -0.107 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001421105550 1000366261 /nfs/dbraw/zinc/36/62/61/1000366261.db2.gz MEKBDLUWHLHZOR-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO CCCN(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001409165418 1000388599 /nfs/dbraw/zinc/38/85/99/1000388599.db2.gz WYALAOCRHDTYAX-CQSZACIVSA-N 1 3 310.442 -0.146 20 0 DBADHO CCCN(C)CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001409165418 1000388603 /nfs/dbraw/zinc/38/86/03/1000388603.db2.gz WYALAOCRHDTYAX-CQSZACIVSA-N 1 3 310.442 -0.146 20 0 DBADHO O=C(NC[C@@]1(O)CCN(CCO)C1)C12CCC[NH+](CCC1)C2 ZINC001421360792 1000464327 /nfs/dbraw/zinc/46/43/27/1000464327.db2.gz GPGWDIQJPMKTGY-INIZCTEOSA-N 1 3 311.426 -0.592 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@@]2(O)CC[N@H+](CCO)C2)c1 ZINC001421389761 1000479552 /nfs/dbraw/zinc/47/95/52/1000479552.db2.gz NIAKNJDKJUFWAP-KRWDZBQOSA-N 1 3 321.421 -0.093 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@@]2(O)CC[N@@H+](CCO)C2)c1 ZINC001421389761 1000479555 /nfs/dbraw/zinc/47/95/55/1000479555.db2.gz NIAKNJDKJUFWAP-KRWDZBQOSA-N 1 3 321.421 -0.093 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@]1(CO)CCCN(CCCO)C1 ZINC001421622632 1000570159 /nfs/dbraw/zinc/57/01/59/1000570159.db2.gz SQKSWOACDGZXIK-HNNXBMFYSA-N 1 3 301.431 -0.346 20 0 DBADHO CC(C)(C(=O)N1CCO[C@@H](CNCC(N)=O)C1)[NH+]1CCCC1 ZINC001421805497 1000632669 /nfs/dbraw/zinc/63/26/69/1000632669.db2.gz KHLMOTPIVZUATR-LBPRGKRZSA-N 1 3 312.414 -0.837 20 0 DBADHO C[C@@H](NC[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1)C(N)=O ZINC001421806922 1000633415 /nfs/dbraw/zinc/63/34/15/1000633415.db2.gz WJDHDAWCUMXMTR-NEPJUHHUSA-N 1 3 312.414 -0.981 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001422044839 1000707351 /nfs/dbraw/zinc/70/73/51/1000707351.db2.gz IQLIGUOTXFGXJA-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC1(CO)CC[NH+](CCOC)CC1 ZINC001422200633 1000763234 /nfs/dbraw/zinc/76/32/34/1000763234.db2.gz YLHJNSZCDRPKDT-UHFFFAOYSA-N 1 3 301.431 -0.082 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001410479883 1000781925 /nfs/dbraw/zinc/78/19/25/1000781925.db2.gz CXRXQPWYQKVZGZ-NEPJUHHUSA-N 1 3 324.429 -0.613 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001410479883 1000781935 /nfs/dbraw/zinc/78/19/35/1000781935.db2.gz CXRXQPWYQKVZGZ-NEPJUHHUSA-N 1 3 324.429 -0.613 20 0 DBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCC(=O)NC1CC1 ZINC001410497239 1000786166 /nfs/dbraw/zinc/78/61/66/1000786166.db2.gz PGVZANXMMJVCCT-LBPRGKRZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001422316666 1000821682 /nfs/dbraw/zinc/82/16/82/1000821682.db2.gz RLIPYLGWTUXMIK-NEPJUHHUSA-N 1 3 314.430 -0.809 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCc1ccnn1C)[NH+](C)C ZINC001422323060 1000824792 /nfs/dbraw/zinc/82/47/92/1000824792.db2.gz HWRNYPWLRSVRNV-KGLIPLIRSA-N 1 3 311.430 -0.427 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410623157 1000833964 /nfs/dbraw/zinc/83/39/64/1000833964.db2.gz XDXRFSYXRAWYET-QWHCGFSZSA-N 1 3 319.409 -0.071 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001410623157 1000833967 /nfs/dbraw/zinc/83/39/67/1000833967.db2.gz XDXRFSYXRAWYET-QWHCGFSZSA-N 1 3 319.409 -0.071 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001410638724 1000837865 /nfs/dbraw/zinc/83/78/65/1000837865.db2.gz ZUCXBEVFLVAADA-KGLIPLIRSA-N 1 3 324.429 -0.782 20 0 DBADHO C[C@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cccc(CN(C)C)c1 ZINC001422411514 1000864882 /nfs/dbraw/zinc/86/48/82/1000864882.db2.gz FVYKKSYOHLRSFR-WFASDCNBSA-N 1 3 309.410 -0.191 20 0 DBADHO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)c1cccc(CN(C)C)c1 ZINC001422411504 1000865101 /nfs/dbraw/zinc/86/51/01/1000865101.db2.gz FVYKKSYOHLRSFR-DOMZBBRYSA-N 1 3 309.410 -0.191 20 0 DBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001422409781 1000865145 /nfs/dbraw/zinc/86/51/45/1000865145.db2.gz BKFCRUYBVZXUGG-ZDUSSCGKSA-N 1 3 314.430 -0.983 20 0 DBADHO O=C(NC[C@@H](CO)[NH2+]CCF)c1ccn(-c2ccncc2)n1 ZINC001410713697 1000871552 /nfs/dbraw/zinc/87/15/52/1000871552.db2.gz ZBIQXZNATIJRQG-NSHDSACASA-N 1 3 307.329 -0.083 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)CCC[NH+](C)C)C1 ZINC001410937218 1000965988 /nfs/dbraw/zinc/96/59/88/1000965988.db2.gz OKMPQFVBUBYYGV-UHFFFAOYSA-N 1 3 307.398 -0.037 20 0 DBADHO CNC(=O)CN(C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001422930027 1001065710 /nfs/dbraw/zinc/06/57/10/1001065710.db2.gz XTIXMJQMUBRICP-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN(C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001422930027 1001065718 /nfs/dbraw/zinc/06/57/18/1001065718.db2.gz XTIXMJQMUBRICP-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@H](CN[C@H]2CCNC2=O)C2CC2)CC1 ZINC001423022593 1001089020 /nfs/dbraw/zinc/08/90/20/1001089020.db2.gz IBTRKPZCBXXLOZ-UONOGXRCSA-N 1 3 308.426 -0.299 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001423029684 1001091298 /nfs/dbraw/zinc/09/12/98/1001091298.db2.gz RHLMYPIVTBDLHC-YPMHNXCESA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCCS(C)(=O)=O ZINC001423157087 1001139589 /nfs/dbraw/zinc/13/95/89/1001139589.db2.gz XRLQSMSWDFVTSM-LBPRGKRZSA-N 1 3 317.455 -0.437 20 0 DBADHO C[C@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001423161983 1001141043 /nfs/dbraw/zinc/14/10/43/1001141043.db2.gz CHIHXFLORKVTAN-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)[C@@H]1C ZINC001423321230 1001254700 /nfs/dbraw/zinc/25/47/00/1001254700.db2.gz LKDQZOLNMRJSHN-QWHCGFSZSA-N 1 3 319.471 -0.048 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)[C@@H]1C ZINC001423321230 1001254705 /nfs/dbraw/zinc/25/47/05/1001254705.db2.gz LKDQZOLNMRJSHN-QWHCGFSZSA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@H]1C[C@H](NCC(=O)NC2CC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001423341260 1001262342 /nfs/dbraw/zinc/26/23/42/1001262342.db2.gz KQYLSEDPIUDVKR-JSGCOSHPSA-N 1 3 320.437 -0.060 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001423394529 1001279604 /nfs/dbraw/zinc/27/96/04/1001279604.db2.gz ASHLMNAWEQWQHC-OLZOCXBDSA-N 1 3 310.398 -0.214 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001423397204 1001279722 /nfs/dbraw/zinc/27/97/22/1001279722.db2.gz PDKLMHCFLRMHES-ZIAGYGMSSA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]C[C@H]2CCOC2)CCC1 ZINC001423460484 1001319497 /nfs/dbraw/zinc/31/94/97/1001319497.db2.gz JHYKHHGMCQQHIM-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]C[C@H]2CCOC2)CCC1 ZINC001423460488 1001320316 /nfs/dbraw/zinc/32/03/16/1001320316.db2.gz JHYKHHGMCQQHIM-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001423500417 1001346848 /nfs/dbraw/zinc/34/68/48/1001346848.db2.gz AKIQUAJPRLDBAC-UONOGXRCSA-N 1 3 301.431 -0.396 20 0 DBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001423500417 1001346855 /nfs/dbraw/zinc/34/68/55/1001346855.db2.gz AKIQUAJPRLDBAC-UONOGXRCSA-N 1 3 301.431 -0.396 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)CC[N@@H+]1C ZINC001423510332 1001353170 /nfs/dbraw/zinc/35/31/70/1001353170.db2.gz FDZVIOVDKXJXPI-MELADBBJSA-N 1 3 301.431 -0.540 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)CC[N@H+]1C ZINC001423510332 1001353178 /nfs/dbraw/zinc/35/31/78/1001353178.db2.gz FDZVIOVDKXJXPI-MELADBBJSA-N 1 3 301.431 -0.540 20 0 DBADHO CN(CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CCC[C@H]1O ZINC001412475345 1001418383 /nfs/dbraw/zinc/41/83/83/1001418383.db2.gz DVAISQYJCAHLTN-BYNSBNAKSA-N 1 3 311.426 -0.189 20 0 DBADHO CN(CC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1CCC[C@H]1O ZINC001412475345 1001418384 /nfs/dbraw/zinc/41/83/84/1001418384.db2.gz DVAISQYJCAHLTN-BYNSBNAKSA-N 1 3 311.426 -0.189 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCCN(CCCO)C2)C1 ZINC001424027540 1001549396 /nfs/dbraw/zinc/54/93/96/1001549396.db2.gz UIAUYYKATKXWFD-GOEBONIOSA-N 1 3 313.442 -0.346 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]2(CO)CCCN(CCCO)C2)C1 ZINC001424027540 1001549400 /nfs/dbraw/zinc/54/94/00/1001549400.db2.gz UIAUYYKATKXWFD-GOEBONIOSA-N 1 3 313.442 -0.346 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NC3CC3)CCC2)C1 ZINC001424214435 1001597301 /nfs/dbraw/zinc/59/73/01/1001597301.db2.gz JTCRUSOGOLXYKO-LBPRGKRZSA-N 1 3 308.426 -0.155 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCC(=O)NC3CC3)CCC2)C1 ZINC001424214435 1001597305 /nfs/dbraw/zinc/59/73/05/1001597305.db2.gz JTCRUSOGOLXYKO-LBPRGKRZSA-N 1 3 308.426 -0.155 20 0 DBADHO CN(C)C1(C(=O)N[C@H](CO)CNC(=O)CC[NH+](C)C)CCC1 ZINC001412974524 1001672524 /nfs/dbraw/zinc/67/25/24/1001672524.db2.gz SOZFHFNDLQBLAL-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001424661570 1001717766 /nfs/dbraw/zinc/71/77/66/1001717766.db2.gz VWVQEPMSCGLWDP-KBPBESRZSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001424661570 1001717782 /nfs/dbraw/zinc/71/77/82/1001717782.db2.gz VWVQEPMSCGLWDP-KBPBESRZSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001424661584 1001719000 /nfs/dbraw/zinc/71/90/00/1001719000.db2.gz VWVQEPMSCGLWDP-ZIAGYGMSSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001424661584 1001719015 /nfs/dbraw/zinc/71/90/15/1001719015.db2.gz VWVQEPMSCGLWDP-ZIAGYGMSSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001424818639 1001803976 /nfs/dbraw/zinc/80/39/76/1001803976.db2.gz IBUMWPGRLMCDAD-ZJUUUORDSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)NCC(=O)NC(N)=O ZINC001424838567 1001805128 /nfs/dbraw/zinc/80/51/28/1001805128.db2.gz YRWVZVRTFDWMBG-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@H+](CCO)CCNC(=O)Nc1ccnn1CCN(C)C ZINC001413584606 1001885208 /nfs/dbraw/zinc/88/52/08/1001885208.db2.gz OSCUPDVAHUSMSV-UHFFFAOYSA-N 1 3 312.418 -0.120 20 0 DBADHO CC[N@@H+](CCO)CCNC(=O)Nc1ccnn1CCN(C)C ZINC001413584606 1001885211 /nfs/dbraw/zinc/88/52/11/1001885211.db2.gz OSCUPDVAHUSMSV-UHFFFAOYSA-N 1 3 312.418 -0.120 20 0 DBADHO C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001425367833 1002021913 /nfs/dbraw/zinc/02/19/13/1002021913.db2.gz RAAMMLXRHQOQMF-RYUDHWBXSA-N 1 3 312.414 -0.981 20 0 DBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@H]1CCN(C)C1=O ZINC001425682718 1002284335 /nfs/dbraw/zinc/28/43/35/1002284335.db2.gz PJGIJQRJNANFEF-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001425777164 1002417341 /nfs/dbraw/zinc/41/73/41/1002417341.db2.gz YHXYTQYGDKMTKG-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CNC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001425977004 1002591048 /nfs/dbraw/zinc/59/10/48/1002591048.db2.gz SXSJNISTMFCLKW-LBPRGKRZSA-N 1 3 308.426 -0.345 20 0 DBADHO CC[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001426006125 1002613649 /nfs/dbraw/zinc/61/36/49/1002613649.db2.gz NYVGRDOMMSYEAX-NEPJUHHUSA-N 1 3 314.430 -0.857 20 0 DBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001426029898 1002630293 /nfs/dbraw/zinc/63/02/93/1002630293.db2.gz KDNBRCZLLKLZGS-LBPRGKRZSA-N 1 3 322.413 -0.882 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001426039286 1002635964 /nfs/dbraw/zinc/63/59/64/1002635964.db2.gz ODUVWPOQKIDUDW-HUUCEWRRSA-N 1 3 321.425 -0.354 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001426039286 1002635965 /nfs/dbraw/zinc/63/59/65/1002635965.db2.gz ODUVWPOQKIDUDW-HUUCEWRRSA-N 1 3 321.425 -0.354 20 0 DBADHO CNC(=O)CN[C@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001436799824 1002806526 /nfs/dbraw/zinc/80/65/26/1002806526.db2.gz MQSQCGQBVXIOJG-CYBMUJFWSA-N 1 3 308.426 -0.155 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)N(C)C ZINC001436875283 1002817157 /nfs/dbraw/zinc/81/71/57/1002817157.db2.gz DNOOKEXVQZBMAE-KKUMJFAQSA-N 1 3 323.441 -0.225 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001436878419 1002818437 /nfs/dbraw/zinc/81/84/37/1002818437.db2.gz SVDAXICKJGESRK-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001436878419 1002818439 /nfs/dbraw/zinc/81/84/39/1002818439.db2.gz SVDAXICKJGESRK-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)CN1CCCC1 ZINC001415504613 1002865339 /nfs/dbraw/zinc/86/53/39/1002865339.db2.gz HABPNVGJKKKAER-OAHLLOKOSA-N 1 3 322.453 -0.001 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001427375292 1003095631 /nfs/dbraw/zinc/09/56/31/1003095631.db2.gz VHRIUGXKLAVDAF-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001427375292 1003095649 /nfs/dbraw/zinc/09/56/49/1003095649.db2.gz VHRIUGXKLAVDAF-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CCNC(=O)C12CC[NH+](CC1)C2)CCn1cncn1 ZINC001437642144 1003106180 /nfs/dbraw/zinc/10/61/80/1003106180.db2.gz SKHVLNWXPCRSQF-UHFFFAOYSA-N 1 3 306.414 -0.188 20 0 DBADHO CN(C)C(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001437944564 1003297647 /nfs/dbraw/zinc/29/76/47/1003297647.db2.gz IJXWYKRQEJKHNO-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001437944564 1003297665 /nfs/dbraw/zinc/29/76/65/1003297665.db2.gz IJXWYKRQEJKHNO-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CC(N)=O)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001437998202 1003319488 /nfs/dbraw/zinc/31/94/88/1003319488.db2.gz JWZHGBYXCHJGHD-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CN(CC(N)=O)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001437998202 1003319497 /nfs/dbraw/zinc/31/94/97/1003319497.db2.gz JWZHGBYXCHJGHD-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001438269372 1003401165 /nfs/dbraw/zinc/40/11/65/1003401165.db2.gz UKGPKYNWZTVEGZ-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438643427 1003552721 /nfs/dbraw/zinc/55/27/21/1003552721.db2.gz OSDWTFOPALVTHQ-HIFRSBDPSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001438676961 1003592810 /nfs/dbraw/zinc/59/28/10/1003592810.db2.gz UZWLJXRIMQQEOD-QWRGUYRKSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438726954 1003611236 /nfs/dbraw/zinc/61/12/36/1003611236.db2.gz ZAOHRUFBQMTARG-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438726954 1003611245 /nfs/dbraw/zinc/61/12/45/1003611245.db2.gz ZAOHRUFBQMTARG-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](C[NH2+]CCCS(C)(=O)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001496028280 1016822220 /nfs/dbraw/zinc/82/22/20/1016822220.db2.gz NRYAKJPYMVFOBY-CHWSQXEVSA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496062012 1016830817 /nfs/dbraw/zinc/83/08/17/1016830817.db2.gz RLURPVROKLKQBZ-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496062012 1016830819 /nfs/dbraw/zinc/83/08/19/1016830819.db2.gz RLURPVROKLKQBZ-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001417947158 1004134303 /nfs/dbraw/zinc/13/43/03/1004134303.db2.gz YRDWMIJWCUWNEA-UONOGXRCSA-N 1 3 309.414 -0.614 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001417985116 1004152632 /nfs/dbraw/zinc/15/26/32/1004152632.db2.gz QTOFKRXCIPDYFX-GHMZBOCLSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001439970744 1004158812 /nfs/dbraw/zinc/15/88/12/1004158812.db2.gz UUPLSBQMZPDDHH-GFCCVEGCSA-N 1 3 312.414 -0.932 20 0 DBADHO O=C(CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)NC1CC1 ZINC001418039120 1004172055 /nfs/dbraw/zinc/17/20/55/1004172055.db2.gz DSOBUQNSNQAMLJ-GJZGRUSLSA-N 1 3 320.437 -0.203 20 0 DBADHO C[C@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001418044134 1004176458 /nfs/dbraw/zinc/17/64/58/1004176458.db2.gz LUOLUCXGPVNUOC-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@]2(O)CCN(CCO)C2)cc1 ZINC001440008749 1004189830 /nfs/dbraw/zinc/18/98/30/1004189830.db2.gz DWYDLGQNLDICDT-KRWDZBQOSA-N 1 3 321.421 -0.093 20 0 DBADHO COCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001440013069 1004191633 /nfs/dbraw/zinc/19/16/33/1004191633.db2.gz SUHXWRXCJPBLOY-HIFRSBDPSA-N 1 3 301.431 -0.228 20 0 DBADHO COCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001440013069 1004191640 /nfs/dbraw/zinc/19/16/40/1004191640.db2.gz SUHXWRXCJPBLOY-HIFRSBDPSA-N 1 3 301.431 -0.228 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1 ZINC001440022758 1004198818 /nfs/dbraw/zinc/19/88/18/1004198818.db2.gz YOMREJDSVOFBOI-INIZCTEOSA-N 1 3 323.441 -0.224 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001440022758 1004198826 /nfs/dbraw/zinc/19/88/26/1004198826.db2.gz YOMREJDSVOFBOI-INIZCTEOSA-N 1 3 323.441 -0.224 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001440024876 1004203109 /nfs/dbraw/zinc/20/31/09/1004203109.db2.gz SCBRRDOHTZBFPC-ZBFHGGJFSA-N 1 3 313.442 -0.082 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001440024876 1004203113 /nfs/dbraw/zinc/20/31/13/1004203113.db2.gz SCBRRDOHTZBFPC-ZBFHGGJFSA-N 1 3 313.442 -0.082 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001418099090 1004207723 /nfs/dbraw/zinc/20/77/23/1004207723.db2.gz XCDQGTVQVLGOIT-GRYCIOLGSA-N 1 3 305.444 -0.392 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001418136436 1004227993 /nfs/dbraw/zinc/22/79/93/1004227993.db2.gz FDQYVAMOMGZTJR-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001418180487 1004246157 /nfs/dbraw/zinc/24/61/57/1004246157.db2.gz VVVFWFCWYCCVME-FAHYXWLWSA-N 1 3 311.426 -0.618 20 0 DBADHO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001418180487 1004246168 /nfs/dbraw/zinc/24/61/68/1004246168.db2.gz VVVFWFCWYCCVME-FAHYXWLWSA-N 1 3 311.426 -0.618 20 0 DBADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001418358368 1004358702 /nfs/dbraw/zinc/35/87/02/1004358702.db2.gz UUTSTUKFEINSGR-RYUDHWBXSA-N 1 3 307.398 -0.133 20 0 DBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001496251811 1016876879 /nfs/dbraw/zinc/87/68/79/1016876879.db2.gz WIYVDZAAASONHU-VXGBXAGGSA-N 1 3 312.414 -0.432 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001418689089 1004573028 /nfs/dbraw/zinc/57/30/28/1004573028.db2.gz UTIAEYRCYFNRJV-XDQVBPFNSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001418807821 1004657499 /nfs/dbraw/zinc/65/74/99/1004657499.db2.gz BUKAUAKBWAPKAN-GXTWGEPZSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001418834434 1004681713 /nfs/dbraw/zinc/68/17/13/1004681713.db2.gz WLPXRLDBOQWFMH-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001418834434 1004681720 /nfs/dbraw/zinc/68/17/20/1004681720.db2.gz WLPXRLDBOQWFMH-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001419023811 1004770839 /nfs/dbraw/zinc/77/08/39/1004770839.db2.gz WPZKGKQHGZVFBD-CABCVRRESA-N 1 3 311.426 -0.617 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001419474709 1004883431 /nfs/dbraw/zinc/88/34/31/1004883431.db2.gz KAQCQKBZKBGYCZ-XQQFMLRXSA-N 1 3 308.426 -0.062 20 0 DBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001419735150 1004959241 /nfs/dbraw/zinc/95/92/41/1004959241.db2.gz DESLUPFUHIAYBP-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001419765900 1004970642 /nfs/dbraw/zinc/97/06/42/1004970642.db2.gz MGLCYNMHASWAQT-QWRGUYRKSA-N 1 3 315.418 -0.654 20 0 DBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001419765898 1004971210 /nfs/dbraw/zinc/97/12/10/1004971210.db2.gz MGLCYNMHASWAQT-MNOVXSKESA-N 1 3 315.418 -0.654 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001419829304 1004992435 /nfs/dbraw/zinc/99/24/35/1004992435.db2.gz RBUCCHMFTXVIMT-OLZOCXBDSA-N 1 3 301.431 -0.038 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001419879691 1005006664 /nfs/dbraw/zinc/00/66/64/1005006664.db2.gz DTNBETHWEINDDC-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H](C)NCC(=O)N1CCOCC1 ZINC001419879691 1005006669 /nfs/dbraw/zinc/00/66/69/1005006669.db2.gz DTNBETHWEINDDC-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001419991961 1005042779 /nfs/dbraw/zinc/04/27/79/1005042779.db2.gz LKIOAELKUHXPKQ-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCc1cncn1C)[NH+](C)C ZINC001420133758 1005113861 /nfs/dbraw/zinc/11/38/61/1005113861.db2.gz JWUZDIQUZJGSPO-KGLIPLIRSA-N 1 3 311.430 -0.427 20 0 DBADHO Cc1nc(CNC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001420146670 1005120620 /nfs/dbraw/zinc/12/06/20/1005120620.db2.gz ABRJBKMCJHVVNX-NSHDSACASA-N 1 3 310.402 -0.978 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420152460 1005123233 /nfs/dbraw/zinc/12/32/33/1005123233.db2.gz CFTKVDFYFJMKEO-AWEZNQCLSA-N 1 3 323.441 -0.139 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)c2)C1 ZINC001420168433 1005130723 /nfs/dbraw/zinc/13/07/23/1005130723.db2.gz CMFHDZFTJFPTKH-TZMCWYRMSA-N 1 3 309.414 -0.671 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001420213724 1005157133 /nfs/dbraw/zinc/15/71/33/1005157133.db2.gz MNAJZLKETGZLLW-UONOGXRCSA-N 1 3 301.431 -0.038 20 0 DBADHO CN(C)C1(C(=O)NCC[N@H+](C)C[C@@H](O)Cn2cccn2)CCC1 ZINC001420243543 1005169559 /nfs/dbraw/zinc/16/95/59/1005169559.db2.gz JXNXAQIULIADTN-CQSZACIVSA-N 1 3 323.441 -0.224 20 0 DBADHO CN(C)C1(C(=O)NCC[N@@H+](C)C[C@@H](O)Cn2cccn2)CCC1 ZINC001420243543 1005169565 /nfs/dbraw/zinc/16/95/65/1005169565.db2.gz JXNXAQIULIADTN-CQSZACIVSA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001420292793 1005191860 /nfs/dbraw/zinc/19/18/60/1005191860.db2.gz CKJRKFHRRLNCDU-TZMCWYRMSA-N 1 3 308.426 -0.345 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@@H]1CCN(CCNC(=O)C2CC2)C1 ZINC001420543266 1005299253 /nfs/dbraw/zinc/29/92/53/1005299253.db2.gz XUQRXWYSQZIKOD-ZDUSSCGKSA-N 1 3 310.442 -0.098 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001440369861 1006080201 /nfs/dbraw/zinc/08/02/01/1006080201.db2.gz JUAKZFRQAQEOEZ-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001440399307 1006098291 /nfs/dbraw/zinc/09/82/91/1006098291.db2.gz LRMLXHWFGGJHDT-NEPJUHHUSA-N 1 3 300.403 -0.983 20 0 DBADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001440480509 1006153867 /nfs/dbraw/zinc/15/38/67/1006153867.db2.gz LENYQAQQYDGHRX-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCN(C)[C@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001440480509 1006153885 /nfs/dbraw/zinc/15/38/85/1006153885.db2.gz LENYQAQQYDGHRX-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CNCC1(NC(=O)CCC[NH+](C)C)CCOCC1 ZINC001440573749 1006211140 /nfs/dbraw/zinc/21/11/40/1006211140.db2.gz LMVPDWGEXJGCMV-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001440839617 1006325379 /nfs/dbraw/zinc/32/53/79/1006325379.db2.gz SXMLFSALBCIEMR-QWRGUYRKSA-N 1 3 300.403 -0.935 20 0 DBADHO CCNC(=O)C[NH2+][C@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001441228143 1006529224 /nfs/dbraw/zinc/52/92/24/1006529224.db2.gz RROMSIPASYNOKT-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001441256982 1006543387 /nfs/dbraw/zinc/54/33/87/1006543387.db2.gz NEHFSERLGWHNGF-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441256982 1006543432 /nfs/dbraw/zinc/54/34/32/1006543432.db2.gz NEHFSERLGWHNGF-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)NC1CC1 ZINC001441271166 1006553582 /nfs/dbraw/zinc/55/35/82/1006553582.db2.gz SLIUEZSJNHCSRF-AWEZNQCLSA-N 1 3 320.437 -0.155 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001441536278 1006710517 /nfs/dbraw/zinc/71/05/17/1006710517.db2.gz KHXNLUMZSBYZFO-STQMWFEESA-N 1 3 301.431 -0.086 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001430197181 1006750580 /nfs/dbraw/zinc/75/05/80/1006750580.db2.gz MKKBUHYIVVFKKS-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001430197181 1006750608 /nfs/dbraw/zinc/75/06/08/1006750608.db2.gz MKKBUHYIVVFKKS-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCCS(C)(=O)=O ZINC001441874922 1006925608 /nfs/dbraw/zinc/92/56/08/1006925608.db2.gz XZDPPLKMDZMLGV-CHWSQXEVSA-N 1 3 319.471 0.000 20 0 DBADHO C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCCS(C)(=O)=O ZINC001441874922 1006925618 /nfs/dbraw/zinc/92/56/18/1006925618.db2.gz XZDPPLKMDZMLGV-CHWSQXEVSA-N 1 3 319.471 0.000 20 0 DBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001441990797 1007052006 /nfs/dbraw/zinc/05/20/06/1007052006.db2.gz JURRPZUZSJLUFD-CQSZACIVSA-N 1 3 323.441 -0.329 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001442037060 1007115057 /nfs/dbraw/zinc/11/50/57/1007115057.db2.gz PQIHVEHJHRGDPJ-STQMWFEESA-N 1 3 316.446 -0.788 20 0 DBADHO CC(C)[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)[NH+]1CCCC1 ZINC001442043755 1007130834 /nfs/dbraw/zinc/13/08/34/1007130834.db2.gz XQLJXAFMGOOMEE-TZMCWYRMSA-N 1 3 314.430 -0.999 20 0 DBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)NCc1nccn1C ZINC001442047862 1007138028 /nfs/dbraw/zinc/13/80/28/1007138028.db2.gz JKJHNMOZZXNURI-KGLIPLIRSA-N 1 3 323.441 -0.017 20 0 DBADHO CN(CCN[C@@H]1CCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001443100205 1007792823 /nfs/dbraw/zinc/79/28/23/1007792823.db2.gz SRXORNMVHCKRRR-CYBMUJFWSA-N 1 3 312.414 -0.966 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001432350976 1007897470 /nfs/dbraw/zinc/89/74/70/1007897470.db2.gz XYMLZQUWUBCCRV-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001432350976 1007897479 /nfs/dbraw/zinc/89/74/79/1007897479.db2.gz XYMLZQUWUBCCRV-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCC(=O)NC(N)=O ZINC001443976880 1007980877 /nfs/dbraw/zinc/98/08/77/1007980877.db2.gz CGGZCKMBGOUTEH-SNVBAGLBSA-N 1 3 313.402 -0.993 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001445242202 1008316142 /nfs/dbraw/zinc/31/61/42/1008316142.db2.gz VWXYYSDCYVNYMC-AWEZNQCLSA-N 1 3 323.441 -0.363 20 0 DBADHO O=C(NC[C@H](O)CNCc1ccns1)C12CC[NH+](CC1)C2 ZINC001445258027 1008322604 /nfs/dbraw/zinc/32/26/04/1008322604.db2.gz GJWGGADJSBUCDI-LLVKDONJSA-N 1 3 310.423 -0.194 20 0 DBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001445431822 1008375180 /nfs/dbraw/zinc/37/51/80/1008375180.db2.gz BAFBQUNTQITKGZ-ZJUUUORDSA-N 1 3 313.402 -0.994 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@H](O)Cn1cccn1 ZINC001445646985 1008412420 /nfs/dbraw/zinc/41/24/20/1008412420.db2.gz YYMLXFBBMJVATG-AAEUAGOBSA-N 1 3 320.397 -0.387 20 0 DBADHO CNC(=O)CNC[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001445946058 1008450960 /nfs/dbraw/zinc/45/09/60/1008450960.db2.gz CRKHEZXFKCPCSZ-UONOGXRCSA-N 1 3 308.426 -0.441 20 0 DBADHO CC[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)NC ZINC001446005327 1008459999 /nfs/dbraw/zinc/45/99/99/1008459999.db2.gz GAXOFFYZZKGHRD-WCQYABFASA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001446442601 1008512784 /nfs/dbraw/zinc/51/27/84/1008512784.db2.gz NXANUPAVOWJABE-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H]2CNCC(=O)N(C)C)CC[N@H+]1C ZINC001446442601 1008512791 /nfs/dbraw/zinc/51/27/91/1008512791.db2.gz NXANUPAVOWJABE-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001446461078 1008516130 /nfs/dbraw/zinc/51/61/30/1008516130.db2.gz LVUCVYWYSJPKGC-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)NC2CC2)C1 ZINC001446461078 1008516139 /nfs/dbraw/zinc/51/61/39/1008516139.db2.gz LVUCVYWYSJPKGC-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446675763 1008659444 /nfs/dbraw/zinc/65/94/44/1008659444.db2.gz UAVMEDPAXGTPEA-ZDUSSCGKSA-N 1 3 307.398 -0.037 20 0 DBADHO CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NC)CCOCC1)N(C)C ZINC001446728438 1008715037 /nfs/dbraw/zinc/71/50/37/1008715037.db2.gz TYDGZGGDKXSKEU-LBPRGKRZSA-N 1 3 314.430 -0.672 20 0 DBADHO CC[C@@H](C(=O)NCCN1CCC([NH2+]C[C@H](C)O)CC1)N(C)C ZINC001446993634 1008868017 /nfs/dbraw/zinc/86/80/17/1008868017.db2.gz VYMCVXFBKVLAKS-ZFWWWQNUSA-N 1 3 314.474 -0.122 20 0 DBADHO C[C@H](NCCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001447064092 1008890163 /nfs/dbraw/zinc/89/01/63/1008890163.db2.gz MCTWAEIHEQKOMK-LBPRGKRZSA-N 1 3 314.430 -0.855 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2cccnc2)C1 ZINC001497091968 1017260358 /nfs/dbraw/zinc/26/03/58/1017260358.db2.gz MAACCYVWLZLHFM-UKRRQHHQSA-N 1 3 306.410 -0.010 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2cccnc2)C1 ZINC001497091968 1017260364 /nfs/dbraw/zinc/26/03/64/1017260364.db2.gz MAACCYVWLZLHFM-UKRRQHHQSA-N 1 3 306.410 -0.010 20 0 DBADHO C[C@@H](NCCS(C)(=O)=O)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001447907281 1009385787 /nfs/dbraw/zinc/38/57/87/1009385787.db2.gz RLLZIUATWGPYLN-VXGBXAGGSA-N 1 3 319.471 -0.144 20 0 DBADHO Cc1ncccc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497113746 1017275449 /nfs/dbraw/zinc/27/54/49/1017275449.db2.gz MIEPEPTUYDLPNZ-CABCVRRESA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1ncccc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497113746 1017275457 /nfs/dbraw/zinc/27/54/57/1017275457.db2.gz MIEPEPTUYDLPNZ-CABCVRRESA-N 1 3 306.410 -0.092 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1cncn1C ZINC001448626666 1009830548 /nfs/dbraw/zinc/83/05/48/1009830548.db2.gz CPVZNASJBCJMIH-RYUDHWBXSA-N 1 3 307.398 -0.117 20 0 DBADHO C[C@H](CCNC(=O)c1nnc[nH]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448625000 1009830737 /nfs/dbraw/zinc/83/07/37/1009830737.db2.gz YHOYRMFTAYIMAD-MNOVXSKESA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1nnc[nH]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448625000 1009830738 /nfs/dbraw/zinc/83/07/38/1009830738.db2.gz YHOYRMFTAYIMAD-MNOVXSKESA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1ncn[nH]1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448625000 1009830741 /nfs/dbraw/zinc/83/07/41/1009830741.db2.gz YHOYRMFTAYIMAD-MNOVXSKESA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1ncn[nH]1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448625000 1009830746 /nfs/dbraw/zinc/83/07/46/1009830746.db2.gz YHOYRMFTAYIMAD-MNOVXSKESA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1nc[nH]n1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448625000 1009830751 /nfs/dbraw/zinc/83/07/51/1009830751.db2.gz YHOYRMFTAYIMAD-MNOVXSKESA-N 1 3 308.386 -0.229 20 0 DBADHO C[C@H](CCNC(=O)c1nc[nH]n1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448625000 1009830756 /nfs/dbraw/zinc/83/07/56/1009830756.db2.gz YHOYRMFTAYIMAD-MNOVXSKESA-N 1 3 308.386 -0.229 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC001449017760 1010169709 /nfs/dbraw/zinc/16/97/09/1010169709.db2.gz QFRXFDNCSNKTSH-NWDGAFQWSA-N 1 3 324.429 -0.471 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@@H]1C ZINC001449017760 1010169715 /nfs/dbraw/zinc/16/97/15/1010169715.db2.gz QFRXFDNCSNKTSH-NWDGAFQWSA-N 1 3 324.429 -0.471 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@@H](NCC(=O)N2CCC2)C(C)(C)C1 ZINC001449086219 1010215753 /nfs/dbraw/zinc/21/57/53/1010215753.db2.gz AVDPMNDUZXQILA-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCO[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C[NH2+]CCO ZINC001479536474 1010302401 /nfs/dbraw/zinc/30/24/01/1010302401.db2.gz FRBFRQCCWPFQAM-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449166405 1010333168 /nfs/dbraw/zinc/33/31/68/1010333168.db2.gz WRHCGKTYOHQBJQ-ZFWWWQNUSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449166405 1010333190 /nfs/dbraw/zinc/33/31/90/1010333190.db2.gz WRHCGKTYOHQBJQ-ZFWWWQNUSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001449166403 1010335072 /nfs/dbraw/zinc/33/50/72/1010335072.db2.gz WRHCGKTYOHQBJQ-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001449166403 1010335081 /nfs/dbraw/zinc/33/50/81/1010335081.db2.gz WRHCGKTYOHQBJQ-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449174860 1010340929 /nfs/dbraw/zinc/34/09/29/1010340929.db2.gz FBKNLFJMWFSJPE-DZGCQCFKSA-N 1 3 323.441 -0.411 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449174860 1010340942 /nfs/dbraw/zinc/34/09/42/1010340942.db2.gz FBKNLFJMWFSJPE-DZGCQCFKSA-N 1 3 323.441 -0.411 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001449217741 1010385864 /nfs/dbraw/zinc/38/58/64/1010385864.db2.gz RIDPIFSAYHHQCZ-UONOGXRCSA-N 1 3 301.431 -0.274 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001449217741 1010385889 /nfs/dbraw/zinc/38/58/89/1010385889.db2.gz RIDPIFSAYHHQCZ-UONOGXRCSA-N 1 3 301.431 -0.274 20 0 DBADHO CN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001479812036 1010398143 /nfs/dbraw/zinc/39/81/43/1010398143.db2.gz FMRRFCOVTNFPKY-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCN(C)C1=O ZINC001479812036 1010398152 /nfs/dbraw/zinc/39/81/52/1010398152.db2.gz FMRRFCOVTNFPKY-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO COCCN(C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449241153 1010399272 /nfs/dbraw/zinc/39/92/72/1010399272.db2.gz WLIWTBDSJHMSDZ-KBPBESRZSA-N 1 3 301.431 -0.274 20 0 DBADHO COCCN(C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449241153 1010399284 /nfs/dbraw/zinc/39/92/84/1010399284.db2.gz WLIWTBDSJHMSDZ-KBPBESRZSA-N 1 3 301.431 -0.274 20 0 DBADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H]1CCC(=O)NC1=O ZINC001479850519 1010411267 /nfs/dbraw/zinc/41/12/67/1010411267.db2.gz CREXQFYYCBVABB-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@H]1CCC(=O)NC1=O ZINC001479850519 1010411276 /nfs/dbraw/zinc/41/12/76/1010411276.db2.gz CREXQFYYCBVABB-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO C[NH+]1CCC(C(=O)NC[C@H](N[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001480043052 1010514331 /nfs/dbraw/zinc/51/43/31/1010514331.db2.gz IXLGQYAXPYNQMX-KGLIPLIRSA-N 1 3 308.426 -0.299 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480220000 1010578716 /nfs/dbraw/zinc/57/87/16/1010578716.db2.gz GOZXVXKURVYJBC-TXEJJXNPSA-N 1 3 306.414 -0.106 20 0 DBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)NCCS(C)(=O)=O ZINC001480523802 1010678427 /nfs/dbraw/zinc/67/84/27/1010678427.db2.gz FKXYMZLVRPGOLQ-LLVKDONJSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)NCCS(C)(=O)=O ZINC001480523803 1010679582 /nfs/dbraw/zinc/67/95/82/1010679582.db2.gz FKXYMZLVRPGOLQ-NSHDSACASA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H](CNC(=O)CCCC[NH+](C)C)N[C@@H]1CCC(=O)NC1=O ZINC001480573465 1010699945 /nfs/dbraw/zinc/69/99/45/1010699945.db2.gz MICMDTHPAXNLJM-NWDGAFQWSA-N 1 3 312.414 -0.382 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](N[C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001480619586 1010720279 /nfs/dbraw/zinc/72/02/79/1010720279.db2.gz GNNMGTIOUFEVEY-RYUDHWBXSA-N 1 3 322.409 -0.676 20 0 DBADHO CN(C)C1(C(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001450633689 1010776440 /nfs/dbraw/zinc/77/64/40/1010776440.db2.gz LWOXPDOZEHXJBV-AWEZNQCLSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C1(C(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001450633689 1010776447 /nfs/dbraw/zinc/77/64/47/1010776447.db2.gz LWOXPDOZEHXJBV-AWEZNQCLSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001481243190 1010872074 /nfs/dbraw/zinc/87/20/74/1010872074.db2.gz IMZMBFJFPSBTCV-MNOVXSKESA-N 1 3 315.418 -0.796 20 0 DBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481302465 1010887384 /nfs/dbraw/zinc/88/73/84/1010887384.db2.gz LZZHXMXZRUKJKR-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001481302465 1010887388 /nfs/dbraw/zinc/88/73/88/1010887388.db2.gz LZZHXMXZRUKJKR-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001481883296 1011022619 /nfs/dbraw/zinc/02/26/19/1011022619.db2.gz XNYVVZKBFWUIPN-GHMZBOCLSA-N 1 3 315.418 -0.606 20 0 DBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001481883300 1011023527 /nfs/dbraw/zinc/02/35/27/1011023527.db2.gz XNYVVZKBFWUIPN-MNOVXSKESA-N 1 3 315.418 -0.606 20 0 DBADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C)C1CCC1 ZINC001482737669 1011354908 /nfs/dbraw/zinc/35/49/08/1011354908.db2.gz REPHNRQGKZOCPG-CQSZACIVSA-N 1 3 309.414 -0.529 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001482786150 1011457679 /nfs/dbraw/zinc/45/76/79/1011457679.db2.gz RCALBWDYNIABRY-UKRRQHHQSA-N 1 3 321.425 -0.306 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001482786150 1011457690 /nfs/dbraw/zinc/45/76/90/1011457690.db2.gz RCALBWDYNIABRY-UKRRQHHQSA-N 1 3 321.425 -0.306 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001482789816 1011469086 /nfs/dbraw/zinc/46/90/86/1011469086.db2.gz YTJAEKBEWMIDNE-GFCCVEGCSA-N 1 3 306.370 -0.776 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001453195431 1011552374 /nfs/dbraw/zinc/55/23/74/1011552374.db2.gz PGIPIQNZFKIMOP-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001453195431 1011552389 /nfs/dbraw/zinc/55/23/89/1011552389.db2.gz PGIPIQNZFKIMOP-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001453247408 1011579738 /nfs/dbraw/zinc/57/97/38/1011579738.db2.gz IDGKTYRXPAQXRG-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+]1CCC(OCC(=O)NC/C=C\CN[C@@H]2CCNC2=O)CC1 ZINC001483077986 1011666774 /nfs/dbraw/zinc/66/67/74/1011666774.db2.gz WZFBJSYMFUTUJG-PYLYLYNFSA-N 1 3 324.425 -0.752 20 0 DBADHO C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001483166570 1011753751 /nfs/dbraw/zinc/75/37/51/1011753751.db2.gz KRBVZGKLGYVJSP-CHWSQXEVSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001483267545 1011820738 /nfs/dbraw/zinc/82/07/38/1011820738.db2.gz NVZVIJUXDMTQPK-XQQFMLRXSA-N 1 3 319.471 -0.144 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001483602568 1011959870 /nfs/dbraw/zinc/95/98/70/1011959870.db2.gz QZIHEGWUODRSLN-STQMWFEESA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001454515368 1012017552 /nfs/dbraw/zinc/01/75/52/1012017552.db2.gz BTTQHESXUMLWGA-VIKVFOODSA-N 1 3 310.442 -0.149 20 0 DBADHO C[NH+](C)CCCC(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1 ZINC001483763199 1012124303 /nfs/dbraw/zinc/12/43/03/1012124303.db2.gz XPURXGVUFHFYEO-NSHDSACASA-N 1 3 310.398 -0.628 20 0 DBADHO C[NH+](C)CCCC(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001483763198 1012125917 /nfs/dbraw/zinc/12/59/17/1012125917.db2.gz XPURXGVUFHFYEO-LLVKDONJSA-N 1 3 310.398 -0.628 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(N[C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001483783765 1012137476 /nfs/dbraw/zinc/13/74/76/1012137476.db2.gz NYMVRKJIFOGJAH-RYUDHWBXSA-N 1 3 322.409 -0.628 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(N[C@H]3CCC(=O)NC3=O)CC2)C1 ZINC001483783765 1012137483 /nfs/dbraw/zinc/13/74/83/1012137483.db2.gz NYMVRKJIFOGJAH-RYUDHWBXSA-N 1 3 322.409 -0.628 20 0 DBADHO C[C@H]1C[C@@H]([NH2+]CCOCCO)CCN1C(=O)Cc1c[nH]cn1 ZINC001483912988 1012203285 /nfs/dbraw/zinc/20/32/85/1012203285.db2.gz RXGWXMGCZFVYRV-STQMWFEESA-N 1 3 310.398 -0.070 20 0 DBADHO C[C@H]1C[C@H]([NH2+]CCOCCO)CCN1C(=O)Cc1c[nH]cn1 ZINC001483912986 1012203983 /nfs/dbraw/zinc/20/39/83/1012203983.db2.gz RXGWXMGCZFVYRV-QWHCGFSZSA-N 1 3 310.398 -0.070 20 0 DBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001484012002 1012249564 /nfs/dbraw/zinc/24/95/64/1012249564.db2.gz NZWDFFVWJFBJKD-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001484012002 1012249581 /nfs/dbraw/zinc/24/95/81/1012249581.db2.gz NZWDFFVWJFBJKD-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)C[NH2+]C1(CNC(=O)CN(C)C(C)C)CCOCC1 ZINC001484190797 1012344364 /nfs/dbraw/zinc/34/43/64/1012344364.db2.gz CYJWPLKDHKDYCZ-UHFFFAOYSA-N 1 3 314.430 -0.672 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@@]2(CO)CCCN(CCCO)C2)CC1 ZINC001484442612 1012655196 /nfs/dbraw/zinc/65/51/96/1012655196.db2.gz HXSOHBPTIBUTHT-INIZCTEOSA-N 1 3 313.442 -0.346 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001484684340 1012827895 /nfs/dbraw/zinc/82/78/95/1012827895.db2.gz CZXIXVTXNHKNKA-RWMBFGLXSA-N 1 3 312.414 -0.981 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CCO[C@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001484684340 1012827896 /nfs/dbraw/zinc/82/78/96/1012827896.db2.gz CZXIXVTXNHKNKA-RWMBFGLXSA-N 1 3 312.414 -0.981 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001485024907 1012952889 /nfs/dbraw/zinc/95/28/89/1012952889.db2.gz YGOZKESJFIMVIQ-ZDUSSCGKSA-N 1 3 313.442 -0.348 20 0 DBADHO O=C(NC[C@H](O)CNCc1cccnc1)[C@H]1C[NH+]2CCC1CC2 ZINC001496981223 1017163429 /nfs/dbraw/zinc/16/34/29/1017163429.db2.gz IIMQRCMICUUEBX-CVEARBPZSA-N 1 3 318.421 -0.010 20 0 DBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001496997180 1017179697 /nfs/dbraw/zinc/17/96/97/1017179697.db2.gz FAIWPEKAPNSFQH-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001496997180 1017179703 /nfs/dbraw/zinc/17/97/03/1017179703.db2.gz FAIWPEKAPNSFQH-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CNC(=O)[C@H](C)NC/C=C/CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497586081 1017431245 /nfs/dbraw/zinc/43/12/45/1017431245.db2.gz RIJKMSZWLVVDOC-ISDWUYEVSA-N 1 3 308.426 -0.275 20 0 DBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497586082 1017431940 /nfs/dbraw/zinc/43/19/40/1017431940.db2.gz RIJKMSZWLVVDOC-KIMDAOQFSA-N 1 3 308.426 -0.275 20 0 DBADHO CNC(=O)[C@H](C)NC/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497586080 1017432949 /nfs/dbraw/zinc/43/29/49/1017432949.db2.gz RIJKMSZWLVVDOC-FTKHWWAOSA-N 1 3 308.426 -0.275 20 0 DBADHO C[C@H]1CCN(CC(=O)NC/C=C\C[NH2+]CCN2CCNC2=O)C1 ZINC001497681345 1017466897 /nfs/dbraw/zinc/46/68/97/1017466897.db2.gz QNTHJPXEGPDSME-SFAKSCPVSA-N 1 3 323.441 -0.385 20 0 DBADHO CN1CCC[C@H](NC/C=C/CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001497725241 1017479896 /nfs/dbraw/zinc/47/98/96/1017479896.db2.gz BDBRYRRFVRTSGD-HSWBROFVSA-N 1 3 320.437 -0.035 20 0 DBADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497817861 1017512426 /nfs/dbraw/zinc/51/24/26/1017512426.db2.gz KVNGWVAAZQJEKE-YRGRVCCFSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497817861 1017512436 /nfs/dbraw/zinc/51/24/36/1017512436.db2.gz KVNGWVAAZQJEKE-YRGRVCCFSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001498133075 1017636282 /nfs/dbraw/zinc/63/62/82/1017636282.db2.gz CCKVRDFRZRJFOL-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)C[NH2+]Cc1nccn1C ZINC001498190668 1017670561 /nfs/dbraw/zinc/67/05/61/1017670561.db2.gz QTKZEXXJGCCGQY-KGLIPLIRSA-N 1 3 323.441 -0.017 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001498204944 1017677541 /nfs/dbraw/zinc/67/75/41/1017677541.db2.gz XAMGOUYCKZQELF-HNNXBMFYSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC(N)=O ZINC001498526719 1017822128 /nfs/dbraw/zinc/82/21/28/1017822128.db2.gz XUVMYZQKBHMNSI-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001498626649 1017840276 /nfs/dbraw/zinc/84/02/76/1017840276.db2.gz UTQBFGVRQPVLAP-LBPRGKRZSA-N 1 3 319.409 -0.131 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001498626649 1017840278 /nfs/dbraw/zinc/84/02/78/1017840278.db2.gz UTQBFGVRQPVLAP-LBPRGKRZSA-N 1 3 319.409 -0.131 20 0 DBADHO CCN(CC)CC(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001498629084 1017840591 /nfs/dbraw/zinc/84/05/91/1017840591.db2.gz TZYZZPQDBHKXBZ-UHFFFAOYSA-N 1 3 322.453 -0.001 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(N[C@H]3CCCNC3=O)CC2)C1 ZINC001499420737 1018099734 /nfs/dbraw/zinc/09/97/34/1018099734.db2.gz IDGMAMSFLADUCS-OLZOCXBDSA-N 1 3 308.426 -0.155 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NCC2(N[C@H]3CCCNC3=O)CC2)C1 ZINC001499420737 1018099749 /nfs/dbraw/zinc/09/97/49/1018099749.db2.gz IDGMAMSFLADUCS-OLZOCXBDSA-N 1 3 308.426 -0.155 20 0 DBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001500713983 1018422419 /nfs/dbraw/zinc/42/24/19/1018422419.db2.gz FRZCSZVWRPLCON-HOCLYGCPSA-N 1 3 313.442 -0.346 20 0 DBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@@]2(O)CCN(CCO)C2)C1 ZINC001500713983 1018422432 /nfs/dbraw/zinc/42/24/32/1018422432.db2.gz FRZCSZVWRPLCON-HOCLYGCPSA-N 1 3 313.442 -0.346 20 0 DBADHO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(CCn2cccn2)C1 ZINC001500717522 1018425380 /nfs/dbraw/zinc/42/53/80/1018425380.db2.gz ACQZHVVTXWBTDO-MRXNPFEDSA-N 1 3 323.441 -0.222 20 0 DBADHO CC(C)N(C)CC(=O)NCCN1CCC([NH2+]C[C@H](C)O)CC1 ZINC001501290454 1018618771 /nfs/dbraw/zinc/61/87/71/1018618771.db2.gz SGHSEOIVUXRVHK-AWEZNQCLSA-N 1 3 314.474 -0.122 20 0 DBADHO CC(C)N(C)CC(=O)NCCN1CCC([NH2+]C[C@@H](C)O)CC1 ZINC001501290455 1018619264 /nfs/dbraw/zinc/61/92/64/1018619264.db2.gz SGHSEOIVUXRVHK-CQSZACIVSA-N 1 3 314.474 -0.122 20 0 DBADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1)C(N)=O ZINC001502094466 1018987977 /nfs/dbraw/zinc/98/79/77/1018987977.db2.gz HSUBHRWYGCMNHU-CHWSQXEVSA-N 1 3 314.430 -0.593 20 0 DBADHO C[NH+]1CCC(CC(=O)NC2(CO)CCN(CCO)CC2)CC1 ZINC001505389549 1019282129 /nfs/dbraw/zinc/28/21/29/1019282129.db2.gz SWAZCIWXXXPTTR-UHFFFAOYSA-N 1 3 313.442 -0.346 20 0 DBADHO C[C@H](CCNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)N(C)C ZINC001575961253 1019777759 /nfs/dbraw/zinc/77/77/59/1019777759.db2.gz CRSKCCGKWSVLQE-LLVKDONJSA-N 1 3 305.444 -0.390 20 0 DBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC001575961766 1019778574 /nfs/dbraw/zinc/77/85/74/1019778574.db2.gz HTRMHBHVRWNUJZ-ZBFHGGJFSA-N 1 3 312.458 -0.367 20 0 DBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC001575961792 1019779185 /nfs/dbraw/zinc/77/91/85/1019779185.db2.gz ILMCGVMMOYJCSP-GOEBONIOSA-N 1 3 312.458 -0.116 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCN1C ZINC001576580180 1019870262 /nfs/dbraw/zinc/87/02/62/1019870262.db2.gz UQJWSOONIVRVED-FRRDWIJNSA-N 1 3 311.430 -0.425 20 0 DBADHO C[C@@H]1C[C@H](CN2CCN(C(=O)Cn3cnnn3)CC2)CC[NH2+]1 ZINC001576598556 1019871910 /nfs/dbraw/zinc/87/19/10/1019871910.db2.gz OUENEAVKMOEIGX-CHWSQXEVSA-N 1 3 307.402 -0.795 20 0 DBADHO C[C@H]1CN(C(=O)CC2(N)COC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001576769670 1019887138 /nfs/dbraw/zinc/88/71/38/1019887138.db2.gz QGGNRSHKHVVANA-KBPBESRZSA-N 1 3 310.442 -0.411 20 0 DBADHO C[C@H]1CN(S(=O)(=O)CCCN(C)C)C[C@]2(CC[NH2+]C2)O1 ZINC001576811710 1019894482 /nfs/dbraw/zinc/89/44/82/1019894482.db2.gz ITEBCTGWKYLEEZ-QWHCGFSZSA-N 1 3 305.444 -0.279 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCCN(CCc3c[nH]nn3)CC2)C1 ZINC001576875778 1019921103 /nfs/dbraw/zinc/92/11/03/1019921103.db2.gz JUZBWHJWGTZIBS-CYBMUJFWSA-N 1 3 306.414 -0.167 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCCN(CCc3c[nH]nn3)CC2)C1 ZINC001576875778 1019921107 /nfs/dbraw/zinc/92/11/07/1019921107.db2.gz JUZBWHJWGTZIBS-CYBMUJFWSA-N 1 3 306.414 -0.167 20 0 DBADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001576920984 1019952621 /nfs/dbraw/zinc/95/26/21/1019952621.db2.gz SGGSQABJFRKFPA-KCPLHHHMSA-N 1 3 308.426 -0.024 20 0 DBADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001576920986 1019954418 /nfs/dbraw/zinc/95/44/18/1019954418.db2.gz SGGSQABJFRKFPA-NXSDAKDHSA-N 1 3 308.426 -0.024 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001507022079 1020046539 /nfs/dbraw/zinc/04/65/39/1020046539.db2.gz KVTCYWHZRRHVGG-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001507079023 1020077660 /nfs/dbraw/zinc/07/76/60/1020077660.db2.gz JBLZBPDSGOEBJL-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)N1CCC1 ZINC001507079023 1020077677 /nfs/dbraw/zinc/07/76/77/1020077677.db2.gz JBLZBPDSGOEBJL-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCC(=O)N1CCC1 ZINC001507117196 1020095809 /nfs/dbraw/zinc/09/58/09/1020095809.db2.gz XHOWDZVWAVKCJK-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H](O)Cn1cccn1 ZINC001507131030 1020098375 /nfs/dbraw/zinc/09/83/75/1020098375.db2.gz WLJZUEIRWMDRKO-JSGCOSHPSA-N 1 3 320.397 -0.354 20 0 DBADHO CCN1CCN(C2CN(C(=O)[C@@]3(C[NH3+])CCCOC3)C2)CC1 ZINC001577775486 1020117962 /nfs/dbraw/zinc/11/79/62/1020117962.db2.gz HJXIKSHXIYJVFP-MRXNPFEDSA-N 1 3 310.442 -0.410 20 0 DBADHO CN(CCO)CCN(C)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC001578473139 1020245886 /nfs/dbraw/zinc/24/58/86/1020245886.db2.gz JOQPANUCNDJAGU-SECBINFHSA-N 1 3 300.325 -0.168 20 0 DBADHO CN1CC[C@](O)(CNC(=O)c2cnc(C3CC[NH2+]CC3)o2)C1 ZINC001578525855 1020257413 /nfs/dbraw/zinc/25/74/13/1020257413.db2.gz RUVRYYGLFGQQNT-HNNXBMFYSA-N 1 3 308.382 -0.062 20 0 DBADHO C[NH2+]C[C@H](O)CN(C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001578646203 1020279459 /nfs/dbraw/zinc/27/94/59/1020279459.db2.gz BZGFZYPNNPYNNM-KGLIPLIRSA-N 1 3 314.430 -0.539 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC001578808989 1020306606 /nfs/dbraw/zinc/30/66/06/1020306606.db2.gz PQNXOHBUDPKFEX-GFCCVEGCSA-N 1 3 315.414 -0.382 20 0 DBADHO COCC[C@@H]([NH3+])CNCCc1ccc(S(N)(=O)=O)cc1 ZINC001579004669 1020349786 /nfs/dbraw/zinc/34/97/86/1020349786.db2.gz VMAFSXYIAPDSCN-GFCCVEGCSA-N 1 3 301.412 -0.170 20 0 DBADHO COCC[NH2+]CCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001579047145 1020359437 /nfs/dbraw/zinc/35/94/37/1020359437.db2.gz CHCGKNCGUIGQSP-CQSZACIVSA-N 1 3 315.462 -0.595 20 0 DBADHO COC[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507485162 1020378118 /nfs/dbraw/zinc/37/81/18/1020378118.db2.gz RLLBSPJKOJGLQJ-STQMWFEESA-N 1 3 301.431 -0.086 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001579272268 1020403629 /nfs/dbraw/zinc/40/36/29/1020403629.db2.gz HGVGVDXVJKSSJI-HOCLYGCPSA-N 1 3 307.394 -0.252 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001579272268 1020403633 /nfs/dbraw/zinc/40/36/33/1020403633.db2.gz HGVGVDXVJKSSJI-HOCLYGCPSA-N 1 3 307.394 -0.252 20 0 DBADHO C[C@@H]1C[N@@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@H](C)N1CCO ZINC001579490138 1020475892 /nfs/dbraw/zinc/47/58/92/1020475892.db2.gz CLBVPQGZLMVFBT-ZNMIVQPWSA-N 1 3 312.458 -0.429 20 0 DBADHO C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)CN)C2)C[C@H](C)N1CCO ZINC001579490138 1020475898 /nfs/dbraw/zinc/47/58/98/1020475898.db2.gz CLBVPQGZLMVFBT-ZNMIVQPWSA-N 1 3 312.458 -0.429 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N(C)CCOCCNCC(N)=O)CC[N@@H+]1C ZINC001508179760 1020545498 /nfs/dbraw/zinc/54/54/98/1020545498.db2.gz PJESBCCIZITJAO-STQMWFEESA-N 1 3 314.430 -0.733 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N(C)CCOCCNCC(N)=O)CC[N@H+]1C ZINC001508179760 1020545514 /nfs/dbraw/zinc/54/55/14/1020545514.db2.gz PJESBCCIZITJAO-STQMWFEESA-N 1 3 314.430 -0.733 20 0 DBADHO O=C(NC[C@H]1CCCCN1CCO)NC[C@H]1C[NH2+]CCO1 ZINC001580667298 1020776364 /nfs/dbraw/zinc/77/63/64/1020776364.db2.gz PHMHMHQYQPBLGB-CHWSQXEVSA-N 1 3 300.403 -0.879 20 0 DBADHO O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001580811264 1020801267 /nfs/dbraw/zinc/80/12/67/1020801267.db2.gz MVACHVCDDWFBGU-RWMBFGLXSA-N 1 3 319.409 -0.232 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001526185550 1022459744 /nfs/dbraw/zinc/45/97/44/1022459744.db2.gz JRGPXBZYFNLMCY-NYTXWWLZSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001526185550 1022459768 /nfs/dbraw/zinc/45/97/68/1022459768.db2.gz JRGPXBZYFNLMCY-NYTXWWLZSA-N 1 3 322.453 -0.149 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001526185672 1022460085 /nfs/dbraw/zinc/46/00/85/1022460085.db2.gz LOZLDABKGFAMKX-NYTXWWLZSA-N 1 3 322.453 -0.147 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001526185672 1022460100 /nfs/dbraw/zinc/46/01/00/1022460100.db2.gz LOZLDABKGFAMKX-NYTXWWLZSA-N 1 3 322.453 -0.147 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(C(=O)CN3CCCC3)C[C@H]21 ZINC001526255892 1022470294 /nfs/dbraw/zinc/47/02/94/1022470294.db2.gz GQOFWFPXOAYKEO-HALDLXJZSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]CCN1C(=O)CCC1=O ZINC001567082878 1024509529 /nfs/dbraw/zinc/50/95/29/1024509529.db2.gz YIWMYJWFYSTIPF-LBPRGKRZSA-N 1 3 312.414 -0.430 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001567141111 1024540546 /nfs/dbraw/zinc/54/05/46/1024540546.db2.gz VKTQRPNRBIHHNX-HUUCEWRRSA-N 1 3 313.442 -0.225 20 0 DBADHO CN(CCNCCS(C)(=O)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001567511173 1024752271 /nfs/dbraw/zinc/75/22/71/1024752271.db2.gz PUGXVKBGUNVVHU-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CN(CCNCCS(C)(=O)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001567511173 1024752287 /nfs/dbraw/zinc/75/22/87/1024752287.db2.gz PUGXVKBGUNVVHU-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001567611598 1024806862 /nfs/dbraw/zinc/80/68/62/1024806862.db2.gz NPJJMGZTYVXSAP-ZDUSSCGKSA-N 1 3 324.425 -0.284 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001568851334 1025045471 /nfs/dbraw/zinc/04/54/71/1025045471.db2.gz BWIPUXKPTVBXNY-KMOUYIMBSA-N 1 3 308.426 -0.181 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001568851334 1025045486 /nfs/dbraw/zinc/04/54/86/1025045486.db2.gz BWIPUXKPTVBXNY-KMOUYIMBSA-N 1 3 308.426 -0.181 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001568851336 1025048190 /nfs/dbraw/zinc/04/81/90/1025048190.db2.gz BWIPUXKPTVBXNY-YNLGZWBXSA-N 1 3 308.426 -0.181 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001568851336 1025048206 /nfs/dbraw/zinc/04/82/06/1025048206.db2.gz BWIPUXKPTVBXNY-YNLGZWBXSA-N 1 3 308.426 -0.181 20 0 DBADHO CC(C)[C@@H](C(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001569429023 1025249055 /nfs/dbraw/zinc/24/90/55/1025249055.db2.gz SVWGDBSLVHLTSO-AAEUAGOBSA-N 1 3 324.425 -0.384 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]CCCO)CCOCC1 ZINC001570307933 1025575020 /nfs/dbraw/zinc/57/50/20/1025575020.db2.gz BEBGRAALKLGSKC-UHFFFAOYSA-N 1 3 310.398 -0.102 20 0 DBADHO CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCCO)N1CCCCC1 ZINC001571430262 1025981182 /nfs/dbraw/zinc/98/11/82/1025981182.db2.gz VCUPCEAGIYKLAG-ZDUSSCGKSA-N 1 3 301.431 -0.300 20 0 DBADHO C[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)N1CCCCCC1 ZINC001571590836 1026100198 /nfs/dbraw/zinc/10/01/98/1026100198.db2.gz BCHICIOCXNGXNF-UONOGXRCSA-N 1 3 301.431 -0.348 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CCn2cccn2)C1 ZINC001571590624 1026101107 /nfs/dbraw/zinc/10/11/07/1026101107.db2.gz XSKYMUKTZSFKLG-CABCVRRESA-N 1 3 323.441 -0.366 20 0 DBADHO OC1(CN2CCOCC2)CCN(C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001574440705 1026790130 /nfs/dbraw/zinc/79/01/30/1026790130.db2.gz FPCOSKPHSOFWMM-INIZCTEOSA-N 1 3 313.442 -0.740 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000331695968 282196216 /nfs/dbraw/zinc/19/62/16/282196216.db2.gz YTKNBHGNHZWALT-HZSPNIEDSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000331695968 282196218 /nfs/dbraw/zinc/19/62/18/282196218.db2.gz YTKNBHGNHZWALT-HZSPNIEDSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CN1C1CC1 ZINC000343305619 291069570 /nfs/dbraw/zinc/06/95/70/291069570.db2.gz SAXRFVFGFQYUBC-NWDGAFQWSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000343305619 291069571 /nfs/dbraw/zinc/06/95/71/291069571.db2.gz SAXRFVFGFQYUBC-NWDGAFQWSA-N 1 3 308.426 -0.062 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000372106065 138164859 /nfs/dbraw/zinc/16/48/59/138164859.db2.gz UWUIFIWGBMTNLM-HNNXBMFYSA-N 1 3 314.405 -0.299 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000362924607 138152761 /nfs/dbraw/zinc/15/27/61/138152761.db2.gz YZFMAOFJOGYVTH-RBSFLKMASA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000362924607 138152762 /nfs/dbraw/zinc/15/27/62/138152762.db2.gz YZFMAOFJOGYVTH-RBSFLKMASA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449702205 236913986 /nfs/dbraw/zinc/91/39/86/236913986.db2.gz CYYMJDGJMWBUAN-QWHCGFSZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418543496 237368986 /nfs/dbraw/zinc/36/89/86/237368986.db2.gz HZKCYYQUJFDMDN-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1=O ZINC000425047938 237388727 /nfs/dbraw/zinc/38/87/27/237388727.db2.gz AQXCKKXBGKJNMI-RRFJBIMHSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1=O ZINC000425047938 237388733 /nfs/dbraw/zinc/38/87/33/237388733.db2.gz AQXCKKXBGKJNMI-RRFJBIMHSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000449729940 238353889 /nfs/dbraw/zinc/35/38/89/238353889.db2.gz OVSWUDHYIMVOLI-NXEZZACHSA-N 1 3 324.347 -0.208 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H](CC[NH3+])C(F)F)CC1=O ZINC000449620731 238354658 /nfs/dbraw/zinc/35/46/58/238354658.db2.gz FULYWZBWBYZAHZ-UWVGGRQHSA-N 1 3 306.357 -0.505 20 0 DBADHO C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H](C)[NH3+] ZINC000418728701 296064631 /nfs/dbraw/zinc/06/46/31/296064631.db2.gz QNCGAFOTKQFHEE-XQQFMLRXSA-N 1 3 311.430 -0.330 20 0 DBADHO O=C(COC1CNC1)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563038227 284019955 /nfs/dbraw/zinc/01/99/55/284019955.db2.gz KHPYXVFDMMQDED-JSGCOSHPSA-N 1 3 324.425 -0.918 20 0 DBADHO [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(N3CCNCC3)cn2)O1 ZINC000563105763 284023971 /nfs/dbraw/zinc/02/39/71/284023971.db2.gz WLXYQZDAJXOUOB-OLZOCXBDSA-N 1 3 305.382 -0.064 20 0 DBADHO [NH3+]CCNS(=O)(=O)c1cccc(NC(=O)CNC2CC2)c1 ZINC000563141810 284026396 /nfs/dbraw/zinc/02/63/96/284026396.db2.gz LTVMXWOJEZOFKD-UHFFFAOYSA-N 1 3 312.395 -0.386 20 0 DBADHO CC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000563450724 284040857 /nfs/dbraw/zinc/04/08/57/284040857.db2.gz HBOSVNHNCZRTGG-STQMWFEESA-N 1 3 309.414 -0.576 20 0 DBADHO CCC[N@H+](CC)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563458808 284041349 /nfs/dbraw/zinc/04/13/49/284041349.db2.gz UYBLTRWVWOGPLJ-OLZOCXBDSA-N 1 3 311.430 -0.328 20 0 DBADHO CCC[N@@H+](CC)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563458808 284041351 /nfs/dbraw/zinc/04/13/51/284041351.db2.gz UYBLTRWVWOGPLJ-OLZOCXBDSA-N 1 3 311.430 -0.328 20 0 DBADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563548182 284042685 /nfs/dbraw/zinc/04/26/85/284042685.db2.gz ABVFFAORJWKBFY-XQQFMLRXSA-N 1 3 311.430 -0.330 20 0 DBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000563548182 284042687 /nfs/dbraw/zinc/04/26/87/284042687.db2.gz ABVFFAORJWKBFY-XQQFMLRXSA-N 1 3 311.430 -0.330 20 0 DBADHO O=C(NC1CNC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000563633194 284045526 /nfs/dbraw/zinc/04/55/26/284045526.db2.gz AQLNODOPBHUBGM-UHFFFAOYSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H](N2CCCC2)C1 ZINC000564074678 284054542 /nfs/dbraw/zinc/05/45/42/284054542.db2.gz JSXQXALTFIEQFQ-MCIONIFRSA-N 1 3 306.410 -0.497 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000564922914 284072002 /nfs/dbraw/zinc/07/20/02/284072002.db2.gz IBGWLZPOFCWHTF-STQMWFEESA-N 1 3 315.414 -0.524 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)c3ccccc3CC[NH3+])CCN2C1=O ZINC000565237024 284090135 /nfs/dbraw/zinc/09/01/35/284090135.db2.gz AVHGCOCJWMWCOK-JSGCOSHPSA-N 1 3 302.378 -0.428 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000565352776 284093109 /nfs/dbraw/zinc/09/31/09/284093109.db2.gz YJWYNJPZCZJAGF-UONOGXRCSA-N 1 3 313.446 -0.619 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000565352777 284093222 /nfs/dbraw/zinc/09/32/22/284093222.db2.gz YJWYNJPZCZJAGF-ZIAGYGMSSA-N 1 3 313.446 -0.619 20 0 DBADHO COC[C@]1(C(=O)N(C)CCCN2CCN(C)CC2)CC[NH2+]C1 ZINC000565831783 284105105 /nfs/dbraw/zinc/10/51/05/284105105.db2.gz FPTCBGWXAKBXOM-INIZCTEOSA-N 1 3 312.458 -0.292 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000643545440 374261876 /nfs/dbraw/zinc/26/18/76/374261876.db2.gz UCLUCAHAKMDFRQ-YIYPIFLZSA-N 1 3 308.426 -0.123 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000643552748 374269023 /nfs/dbraw/zinc/26/90/23/374269023.db2.gz BJKRUQKPMLZGRU-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)C2)C1 ZINC000643571205 374278694 /nfs/dbraw/zinc/27/86/94/374278694.db2.gz RFZCMRXKKYQOJR-CZUORRHYSA-N 1 3 308.426 -0.120 20 0 DBADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@@H]3CN)C2)C1 ZINC000643571205 374278701 /nfs/dbraw/zinc/27/87/01/374278701.db2.gz RFZCMRXKKYQOJR-CZUORRHYSA-N 1 3 308.426 -0.120 20 0 DBADHO CCCN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000643591318 374289933 /nfs/dbraw/zinc/28/99/33/374289933.db2.gz YNFZHFBLHCNBBJ-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000642698708 374293470 /nfs/dbraw/zinc/29/34/70/374293470.db2.gz HTAYGMNXIQFRPG-HNNXBMFYSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643592729 374295805 /nfs/dbraw/zinc/29/58/05/374295805.db2.gz BZUMVGRYWVJNSP-GFCCVEGCSA-N 1 3 305.382 -0.464 20 0 DBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000642725978 374437083 /nfs/dbraw/zinc/43/70/83/374437083.db2.gz RQQZIVNCGOBASE-GFCCVEGCSA-N 1 3 318.421 -0.335 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000237888724 374439989 /nfs/dbraw/zinc/43/99/89/374439989.db2.gz OIZBOQUGBRRXNN-CHWSQXEVSA-N 1 3 312.414 -0.932 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000642756057 374495331 /nfs/dbraw/zinc/49/53/31/374495331.db2.gz WEYRNGRPPSGQNY-DGCLKSJQSA-N 1 3 312.414 -0.839 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 ZINC000642785878 374573666 /nfs/dbraw/zinc/57/36/66/374573666.db2.gz ORMKNBIAJODSRO-UBHSHLNASA-N 1 3 324.425 -0.839 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642792287 374611214 /nfs/dbraw/zinc/61/12/14/374611214.db2.gz IUEIFOKNTVZSTM-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CNS(=O)(=O)CCCN(C)CCN(C)C1CC[NH+](C)CC1 ZINC000119723309 374926964 /nfs/dbraw/zinc/92/69/64/374926964.db2.gz USUJLOGLSXESBL-UHFFFAOYSA-N 1 3 320.503 -0.117 20 0 DBADHO C[NH2+]CC1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000237342473 374993012 /nfs/dbraw/zinc/99/30/12/374993012.db2.gz NODDVESFLAGADD-CQSZACIVSA-N 1 3 310.442 -0.146 20 0 DBADHO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642913942 375001321 /nfs/dbraw/zinc/00/13/21/375001321.db2.gz ULTAKRIANXPKHS-UHFFFAOYSA-N 1 3 305.382 -0.544 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000642919904 375020837 /nfs/dbraw/zinc/02/08/37/375020837.db2.gz MLFPOVBUMYYSMX-CQSZACIVSA-N 1 3 308.426 -0.059 20 0 DBADHO [NH3+][C@H]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000237888411 375042303 /nfs/dbraw/zinc/04/23/03/375042303.db2.gz FDOTVPKYEROBQT-KBPBESRZSA-N 1 3 308.426 -0.120 20 0 DBADHO C[C@@H]([NH3+])CCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000262723100 375104586 /nfs/dbraw/zinc/10/45/86/375104586.db2.gz GGNOERBVBBVVDD-LLVKDONJSA-N 1 3 310.402 -0.373 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642929829 375043768 /nfs/dbraw/zinc/04/37/68/375043768.db2.gz PBZFGSQFOSYEEN-MGPQQGTHSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1=O ZINC000248613762 375145029 /nfs/dbraw/zinc/14/50/29/375145029.db2.gz LMXGUOSHOUFLCS-REWJHTLYSA-N 1 3 308.426 -0.408 20 0 DBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000642946998 375186547 /nfs/dbraw/zinc/18/65/47/375186547.db2.gz DDWLTLORTLIIID-ZDUSSCGKSA-N 1 3 315.462 -0.962 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CCN2C1=O ZINC000570529158 375369141 /nfs/dbraw/zinc/36/91/41/375369141.db2.gz KQZXMZNZZKYBGO-QXSJWSMHSA-N 1 3 318.421 -0.839 20 0 DBADHO N[C@H]1C[C@@H]2CN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CCN2C1=O ZINC000570529159 375369279 /nfs/dbraw/zinc/36/92/79/375369279.db2.gz KQZXMZNZZKYBGO-UGUYLWEFSA-N 1 3 318.421 -0.839 20 0 DBADHO CNC[C@@](C)(O)C[NH+]1CCC(CNC(=O)c2cnn(C)c2)CC1 ZINC000570521726 375369292 /nfs/dbraw/zinc/36/92/92/375369292.db2.gz YQNWIQAYEWKHPS-MRXNPFEDSA-N 1 3 323.441 -0.168 20 0 DBADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC1 ZINC000570943279 375427109 /nfs/dbraw/zinc/42/71/09/375427109.db2.gz RUXNBLMPDAAGLK-QWHCGFSZSA-N 1 3 323.441 -0.186 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364602957 375652987 /nfs/dbraw/zinc/65/29/87/375652987.db2.gz QZVCUQVFDNKDFN-YOEHRIQHSA-N 1 3 320.437 -0.247 20 0 DBADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000531297139 375911434 /nfs/dbraw/zinc/91/14/34/375911434.db2.gz UPMVVWGMUNFCDK-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000531297139 375911437 /nfs/dbraw/zinc/91/14/37/375911437.db2.gz UPMVVWGMUNFCDK-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CCN2C1=O ZINC000594880720 375965110 /nfs/dbraw/zinc/96/51/10/375965110.db2.gz WPIIYXLTYGDVBW-NWANDNLSSA-N 1 3 314.389 -0.009 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)CCN2C1=O ZINC000594873663 375968374 /nfs/dbraw/zinc/96/83/74/375968374.db2.gz HYJZQKUZKYCVBS-UONOGXRCSA-N 1 3 314.389 -0.747 20 0 DBADHO COC(=O)CNC(=O)CC[NH+]1CCC(N2CC[C@H](O)C2)CC1 ZINC000595864475 376040923 /nfs/dbraw/zinc/04/09/23/376040923.db2.gz AURJJGCPUCQWBP-ZDUSSCGKSA-N 1 3 313.398 -0.803 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3[C@@H]4CC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000595274019 375988802 /nfs/dbraw/zinc/98/88/02/375988802.db2.gz OLTWGOGXRDYWMH-KYKFVJMVSA-N 1 3 321.425 -0.544 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595997049 376066386 /nfs/dbraw/zinc/06/63/86/376066386.db2.gz KBTZMCQQJMCZCD-QWHCGFSZSA-N 1 3 315.414 -0.164 20 0 DBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)CN3CCN(C)CC3)C2)CC1 ZINC000602330833 376435807 /nfs/dbraw/zinc/43/58/07/376435807.db2.gz RZXOQKGRVITOCI-OAHLLOKOSA-N 1 3 323.485 -0.482 20 0 DBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)CN3CCN(C)CC3)C2)CC1 ZINC000602330833 376435816 /nfs/dbraw/zinc/43/58/16/376435816.db2.gz RZXOQKGRVITOCI-OAHLLOKOSA-N 1 3 323.485 -0.482 20 0 DBADHO CN1CCN(CC(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000602330833 376435825 /nfs/dbraw/zinc/43/58/25/376435825.db2.gz RZXOQKGRVITOCI-OAHLLOKOSA-N 1 3 323.485 -0.482 20 0 DBADHO CNC(=O)C(=O)NCC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000623068841 376574762 /nfs/dbraw/zinc/57/47/62/376574762.db2.gz MNZKZVQXMCIYFD-UHFFFAOYSA-N 1 3 304.394 -0.158 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000637379389 376796956 /nfs/dbraw/zinc/79/69/56/376796956.db2.gz FLMQQJXCHSWXFU-CYBMUJFWSA-N 1 3 313.446 -0.258 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000637379389 376796965 /nfs/dbraw/zinc/79/69/65/376796965.db2.gz FLMQQJXCHSWXFU-CYBMUJFWSA-N 1 3 313.446 -0.258 20 0 DBADHO CCN1CCO[C@@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000365694658 376813544 /nfs/dbraw/zinc/81/35/44/376813544.db2.gz DQZSLSUAWCRWLR-GOEBONIOSA-N 1 3 324.469 -0.008 20 0 DBADHO CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000365694658 376813549 /nfs/dbraw/zinc/81/35/49/376813549.db2.gz DQZSLSUAWCRWLR-GOEBONIOSA-N 1 3 324.469 -0.008 20 0 DBADHO CCN1CCO[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000365694658 376813555 /nfs/dbraw/zinc/81/35/55/376813555.db2.gz DQZSLSUAWCRWLR-GOEBONIOSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc(C(N)=O)cn1C ZINC000152097837 377114799 /nfs/dbraw/zinc/11/47/99/377114799.db2.gz QXFKGGOHEHICQL-UHFFFAOYSA-N 1 3 309.414 -0.311 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000262969240 377107245 /nfs/dbraw/zinc/10/72/45/377107245.db2.gz XJZZVLLOHVRHNQ-ZDUSSCGKSA-N 1 3 314.430 -0.637 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000637863864 377606085 /nfs/dbraw/zinc/60/60/85/377606085.db2.gz IOPUHAUVNDEJGP-ZFWWWQNUSA-N 1 3 306.410 -0.334 20 0 DBADHO CCN1CCN(CCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279094598 377644539 /nfs/dbraw/zinc/64/45/39/377644539.db2.gz WPGVHLCQQPUZHW-CYBMUJFWSA-N 1 3 320.441 -0.146 20 0 DBADHO C[C@@]1(C(N)=O)CCN(C/C=C/C[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000280786069 377702633 /nfs/dbraw/zinc/70/26/33/377702633.db2.gz QQRKHMURLHBALD-ZOSBBBERSA-N 1 3 308.426 -0.063 20 0 DBADHO C[C@@]1(C(N)=O)CCN(C/C=C/C[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000280786069 377702638 /nfs/dbraw/zinc/70/26/38/377702638.db2.gz QQRKHMURLHBALD-ZOSBBBERSA-N 1 3 308.426 -0.063 20 0 DBADHO C[C@@]1(C(N)=O)CC[N@@H+](C/C=C/CN2CC[C@](C)(C(N)=O)C2)C1 ZINC000280786069 377702642 /nfs/dbraw/zinc/70/26/42/377702642.db2.gz QQRKHMURLHBALD-ZOSBBBERSA-N 1 3 308.426 -0.063 20 0 DBADHO C[C@@]1(C(N)=O)CC[N@H+](C/C=C/CN2CC[C@](C)(C(N)=O)C2)C1 ZINC000280786069 377702645 /nfs/dbraw/zinc/70/26/45/377702645.db2.gz QQRKHMURLHBALD-ZOSBBBERSA-N 1 3 308.426 -0.063 20 0 DBADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)CNCCO2)CC1 ZINC000638080948 377802873 /nfs/dbraw/zinc/80/28/73/377802873.db2.gz YYQRQNABFDDLPM-INIZCTEOSA-N 1 3 312.458 -0.245 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)CN2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000638076082 377796802 /nfs/dbraw/zinc/79/68/02/377796802.db2.gz IOWDVYXMEJWFPZ-HUUCEWRRSA-N 1 3 312.458 -0.103 20 0 DBADHO CN(C)CCn1cc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000638242349 377864590 /nfs/dbraw/zinc/86/45/90/377864590.db2.gz YCPIHKNPMOGRAO-OAHLLOKOSA-N 1 3 320.441 -0.436 20 0 DBADHO N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000638407153 377899369 /nfs/dbraw/zinc/89/93/69/377899369.db2.gz URUURMOLGGWFPQ-OAGGEKHMSA-N 1 3 319.405 -0.014 20 0 DBADHO N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000638407153 377899372 /nfs/dbraw/zinc/89/93/72/377899372.db2.gz URUURMOLGGWFPQ-OAGGEKHMSA-N 1 3 319.405 -0.014 20 0 DBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@]3(C)CNCCO3)C2)CC1 ZINC000638116285 377842123 /nfs/dbraw/zinc/84/21/23/377842123.db2.gz JEHIOINSITXZDX-CJNGLKHVSA-N 1 3 310.442 -0.350 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000638139931 377851428 /nfs/dbraw/zinc/85/14/28/377851428.db2.gz QPHFKGVZQUOTFU-HLLBOEOZSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC1 ZINC000340521452 378016688 /nfs/dbraw/zinc/01/66/88/378016688.db2.gz KIDDIWILTHPXSE-GFCCVEGCSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000340521452 378016693 /nfs/dbraw/zinc/01/66/93/378016693.db2.gz KIDDIWILTHPXSE-GFCCVEGCSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)CCNC(=O)c1ccc(NC(=O)COCC[NH3+])cc1 ZINC000638524782 377975397 /nfs/dbraw/zinc/97/53/97/377975397.db2.gz RVEYUHJKZZVECF-UHFFFAOYSA-N 1 3 308.382 -0.108 20 0 DBADHO O=C(C[C@H]1COCCN1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638983765 378280027 /nfs/dbraw/zinc/28/00/27/378280027.db2.gz DWGHSFDSYCRBPY-LBPRGKRZSA-N 1 3 305.382 -0.192 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)CC1=O ZINC000639026238 378299138 /nfs/dbraw/zinc/29/91/38/378299138.db2.gz YTZBQIDJJFGSAF-RBSFLKMASA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1=O ZINC000185006303 378348394 /nfs/dbraw/zinc/34/83/94/378348394.db2.gz LMXGUOSHOUFLCS-DGAVXFQQSA-N 1 3 308.426 -0.408 20 0 DBADHO CC(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)S(C)(=O)=O ZINC000617504827 378366791 /nfs/dbraw/zinc/36/67/91/378366791.db2.gz LZUPRKKOVRXSCL-RYUDHWBXSA-N 1 3 307.460 -0.192 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000617505687 378368124 /nfs/dbraw/zinc/36/81/24/378368124.db2.gz MRHDZUUTRBSGEE-RYUDHWBXSA-N 1 3 322.475 -0.688 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](C)NS(C)(=O)=O ZINC000617505687 378368126 /nfs/dbraw/zinc/36/81/26/378368126.db2.gz MRHDZUUTRBSGEE-RYUDHWBXSA-N 1 3 322.475 -0.688 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1nccnc1C(N)=O ZINC000617505784 378369133 /nfs/dbraw/zinc/36/91/33/378369133.db2.gz QAKYOWQBUKCDLN-NSHDSACASA-N 1 3 322.413 -0.423 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1nccnc1C(N)=O ZINC000617505784 378369136 /nfs/dbraw/zinc/36/91/36/378369136.db2.gz QAKYOWQBUKCDLN-NSHDSACASA-N 1 3 322.413 -0.423 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(S(N)(=O)=O)CC1 ZINC000617507796 378369246 /nfs/dbraw/zinc/36/92/46/378369246.db2.gz JNAWMXBDTIWVOT-NSHDSACASA-N 1 3 320.459 -0.804 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(S(N)(=O)=O)CC1 ZINC000617507796 378369249 /nfs/dbraw/zinc/36/92/49/378369249.db2.gz JNAWMXBDTIWVOT-NSHDSACASA-N 1 3 320.459 -0.804 20 0 DBADHO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000617506355 378369460 /nfs/dbraw/zinc/36/94/60/378369460.db2.gz KQSYKWKFUCXRNM-LBPRGKRZSA-N 1 3 322.475 -0.686 20 0 DBADHO CCS(=O)(=O)NCC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000617506355 378369464 /nfs/dbraw/zinc/36/94/64/378369464.db2.gz KQSYKWKFUCXRNM-LBPRGKRZSA-N 1 3 322.475 -0.686 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C1 ZINC000331776102 378538825 /nfs/dbraw/zinc/53/88/25/378538825.db2.gz OKVMZULHWKZAOT-CRWXNKLISA-N 1 3 308.426 -0.265 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000332235607 378542193 /nfs/dbraw/zinc/54/21/93/378542193.db2.gz OFLPMAXHZOKZGP-MJBXVCDLSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@@H]1C ZINC000332598345 378546723 /nfs/dbraw/zinc/54/67/23/378546723.db2.gz OAKYPVVMPPCQQZ-RQJABVFESA-N 1 3 308.426 -0.204 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000331699313 378535166 /nfs/dbraw/zinc/53/51/66/378535166.db2.gz ZCSGVTMDVCFKBB-MJBXVCDLSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCN(C(=O)CCN2CCC[C@](O)(C[NH+](C)C)C2)CC1 ZINC000639769021 378641381 /nfs/dbraw/zinc/64/13/81/378641381.db2.gz VXRFERPASUBIEW-INIZCTEOSA-N 1 3 312.458 -0.461 20 0 DBADHO CN(C)C[C@@]1(O)CCC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000639769021 378641383 /nfs/dbraw/zinc/64/13/83/378641383.db2.gz VXRFERPASUBIEW-INIZCTEOSA-N 1 3 312.458 -0.461 20 0 DBADHO CN(C)C[C@@]1(O)CCC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000639769021 378641389 /nfs/dbraw/zinc/64/13/89/378641389.db2.gz VXRFERPASUBIEW-INIZCTEOSA-N 1 3 312.458 -0.461 20 0 DBADHO C[C@H](CN(C)C)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353540936 378669945 /nfs/dbraw/zinc/66/99/45/378669945.db2.gz HWJPYHQIWLLRFX-OLZOCXBDSA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@H](CN(C)C)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353540936 378669955 /nfs/dbraw/zinc/66/99/55/378669955.db2.gz HWJPYHQIWLLRFX-OLZOCXBDSA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CN1C1CC1 ZINC000354752838 378762748 /nfs/dbraw/zinc/76/27/48/378762748.db2.gz UISFXQOWXXHXKD-MBNYWOFBSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000357296269 378934653 /nfs/dbraw/zinc/93/46/53/378934653.db2.gz LAIOOAOTBXJARG-BHPKHCPMSA-N 1 3 310.442 -0.101 20 0 DBADHO CCOCCC[N@@H+]1CC[C@H](Nc2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623976127 379070054 /nfs/dbraw/zinc/07/00/54/379070054.db2.gz ZGABQOYZTXXJDB-QWRGUYRKSA-N 1 3 309.418 -0.332 20 0 DBADHO CCOCCC[N@H+]1CC[C@H](Nc2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623976127 379070067 /nfs/dbraw/zinc/07/00/67/379070067.db2.gz ZGABQOYZTXXJDB-QWRGUYRKSA-N 1 3 309.418 -0.332 20 0 DBADHO CN(C/C=C\C[N@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000359602638 379179951 /nfs/dbraw/zinc/17/99/51/379179951.db2.gz QLYLMWCRPVETIP-HFZJXRFXSA-N 1 3 314.426 -0.291 20 0 DBADHO CN(C/C=C\C[N@@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000359602638 379179957 /nfs/dbraw/zinc/17/99/57/379179957.db2.gz QLYLMWCRPVETIP-HFZJXRFXSA-N 1 3 314.426 -0.291 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000118879803 379602894 /nfs/dbraw/zinc/60/28/94/379602894.db2.gz AOTCYBVPKYWVFO-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000118879803 379602902 /nfs/dbraw/zinc/60/29/02/379602902.db2.gz AOTCYBVPKYWVFO-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000643453671 379646597 /nfs/dbraw/zinc/64/65/97/379646597.db2.gz QYXAUXYHZALKBI-KBPBESRZSA-N 1 3 318.487 -0.187 20 0 DBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000584781745 379843982 /nfs/dbraw/zinc/84/39/82/379843982.db2.gz PJWVURFNYOBTQA-JKSUJKDBSA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418543497 379875416 /nfs/dbraw/zinc/87/54/16/379875416.db2.gz HZKCYYQUJFDMDN-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO COC[C@H](O)CN(C)[C@@H]1CCC[N@H+](C[C@@H](O)COC)CC1 ZINC000128494526 379900158 /nfs/dbraw/zinc/90/01/58/379900158.db2.gz YVFMTJRNAWQERU-RBSFLKMASA-N 1 3 304.431 -0.213 20 0 DBADHO COC[C@H](O)CN(C)[C@@H]1CCC[N@@H+](C[C@@H](O)COC)CC1 ZINC000128494526 379900165 /nfs/dbraw/zinc/90/01/65/379900165.db2.gz YVFMTJRNAWQERU-RBSFLKMASA-N 1 3 304.431 -0.213 20 0 DBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419773806 379966586 /nfs/dbraw/zinc/96/65/86/379966586.db2.gz JMZORCCJBBKSLV-LBPRGKRZSA-N 1 3 314.430 -0.997 20 0 DBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NCCN)C1 ZINC000419816189 379972578 /nfs/dbraw/zinc/97/25/78/379972578.db2.gz KWTGUGZXEKDMBO-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000419839846 379977377 /nfs/dbraw/zinc/97/73/77/379977377.db2.gz CBTCPRWSCXXWAJ-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419673386 379951751 /nfs/dbraw/zinc/95/17/51/379951751.db2.gz HFXQRHOCGZRCBJ-CHWSQXEVSA-N 1 3 314.430 -0.815 20 0 DBADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419737937 379962340 /nfs/dbraw/zinc/96/23/40/379962340.db2.gz UINAYWVQWXHDDX-RYUDHWBXSA-N 1 3 314.430 -0.326 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419903170 379991908 /nfs/dbraw/zinc/99/19/08/379991908.db2.gz ITRJJTNZZMUDHV-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000420010005 380006741 /nfs/dbraw/zinc/00/67/41/380006741.db2.gz DTBQTYQAYRGSTK-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420197563 380043654 /nfs/dbraw/zinc/04/36/54/380043654.db2.gz MDNWQGDMYYADLY-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261665057 380149277 /nfs/dbraw/zinc/14/92/77/380149277.db2.gz FWNDAZVJODRRHU-KFWWJZLASA-N 1 3 312.458 -0.118 20 0 DBADHO COCCN(C)CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074252627 380093991 /nfs/dbraw/zinc/09/39/91/380093991.db2.gz VJCWBKZKXSUUJH-CYBMUJFWSA-N 1 3 314.430 -0.909 20 0 DBADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572104823 380130691 /nfs/dbraw/zinc/13/06/91/380130691.db2.gz QTVACRGAONWUSE-VXGBXAGGSA-N 1 3 317.384 -0.327 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(CC[NH2+]C3)CC2)CC1=O ZINC000261929707 380161849 /nfs/dbraw/zinc/16/18/49/380161849.db2.gz ZWMNZDAADKIRPC-AWEZNQCLSA-N 1 3 322.453 -0.001 20 0 DBADHO CC[C@H]1CN(CCC(=O)N2CCNCC2)CC[N@@H+]1C[C@H](C)O ZINC000261989223 380164428 /nfs/dbraw/zinc/16/44/28/380164428.db2.gz CSBYENPKCDQOGL-GJZGRUSLSA-N 1 3 312.458 -0.415 20 0 DBADHO CC[C@H]1CN(CCC(=O)N2CCNCC2)CC[N@H+]1C[C@H](C)O ZINC000261989223 380164431 /nfs/dbraw/zinc/16/44/31/380164431.db2.gz CSBYENPKCDQOGL-GJZGRUSLSA-N 1 3 312.458 -0.415 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423213032 380316405 /nfs/dbraw/zinc/31/64/05/380316405.db2.gz MQYJEWFSUWBTBR-OLZOCXBDSA-N 1 3 312.414 -0.885 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423511682 380340927 /nfs/dbraw/zinc/34/09/27/380340927.db2.gz AUEYHSFJZWEFLL-QWHCGFSZSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CCO1 ZINC000643502498 380493113 /nfs/dbraw/zinc/49/31/13/380493113.db2.gz IEXYWDJSTWDYSS-STQMWFEESA-N 1 3 312.414 -0.885 20 0 DBADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)C[C@@H]12 ZINC000643513428 380531309 /nfs/dbraw/zinc/53/13/09/380531309.db2.gz SEFNPYIUEZQWFP-AAVRWANBSA-N 1 3 306.410 -0.511 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1=O ZINC000435240875 380586564 /nfs/dbraw/zinc/58/65/64/380586564.db2.gz QXOFFUUFCZSZHA-OCCSQVGLSA-N 1 3 308.426 -0.251 20 0 DBADHO C[NH2+]CCOCCN(C)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000629654244 380704001 /nfs/dbraw/zinc/70/40/01/380704001.db2.gz OMTQRAWVEJWDGT-UHFFFAOYSA-N 1 3 322.457 -0.104 20 0 DBADHO C[NH+](C)CCOCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458687505 380768380 /nfs/dbraw/zinc/76/83/80/380768380.db2.gz HEUFJJZEDQQJIQ-CQSZACIVSA-N 1 3 316.446 -0.289 20 0 DBADHO CN(C)CCCS(=O)(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000641649709 380960512 /nfs/dbraw/zinc/96/05/12/380960512.db2.gz DEIFUFPKUMQTSM-UHFFFAOYSA-N 1 3 320.503 -0.115 20 0 DBADHO CN(C)CCCS(=O)(=O)NCCCN1CCC[N@@H+](C)CC1 ZINC000641649709 380960519 /nfs/dbraw/zinc/96/05/19/380960519.db2.gz DEIFUFPKUMQTSM-UHFFFAOYSA-N 1 3 320.503 -0.115 20 0 DBADHO NS(=O)(=O)CCCN1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000641818013 380974770 /nfs/dbraw/zinc/97/47/70/380974770.db2.gz BUIQLLFAIDUELV-ZDUSSCGKSA-N 1 3 305.444 -0.245 20 0 DBADHO COCCCN(C)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626986946 381049545 /nfs/dbraw/zinc/04/95/45/381049545.db2.gz RHUZVTQIGXYVTO-UHFFFAOYSA-N 1 3 302.419 -0.238 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000626993118 381050904 /nfs/dbraw/zinc/05/09/04/381050904.db2.gz PGCSLRWSLSAPDJ-ZDUSSCGKSA-N 1 3 304.460 -0.041 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626974259 381043333 /nfs/dbraw/zinc/04/33/33/381043333.db2.gz DIYMFBDROBKNKS-ZDUSSCGKSA-N 1 3 314.430 -0.096 20 0 DBADHO CN(C)CCn1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)n1 ZINC000614071001 381227422 /nfs/dbraw/zinc/22/74/22/381227422.db2.gz NOOBGJQBRSBJJJ-INIZCTEOSA-N 1 3 323.441 -0.027 20 0 DBADHO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000614066358 381227822 /nfs/dbraw/zinc/22/78/22/381227822.db2.gz CXMRNIAPMJQARZ-GDBMZVCRSA-N 1 3 310.442 -0.709 20 0 DBADHO COC(=O)c1cnc(C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000542718189 381397787 /nfs/dbraw/zinc/39/77/87/381397787.db2.gz LEJHFPYEROZXJN-UHFFFAOYSA-N 1 3 323.397 -0.171 20 0 DBADHO CCN(C)C(=O)CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000547537691 381482130 /nfs/dbraw/zinc/48/21/30/381482130.db2.gz WLLWVERKONWSKM-UHFFFAOYSA-N 1 3 301.435 -0.401 20 0 DBADHO O=C(NC[C@@H]1CCCN(CCn2cncn2)C1)[C@@H]1CCC[NH2+]1 ZINC000262515439 381627176 /nfs/dbraw/zinc/62/71/76/381627176.db2.gz NLUCDWPWSGIFCO-KBPBESRZSA-N 1 3 306.414 -0.142 20 0 DBADHO CN1CC[C@@H]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)[C@H]2C1 ZINC000566008248 381635047 /nfs/dbraw/zinc/63/50/47/381635047.db2.gz SGZWHWRXMXCEJM-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)CNC[C@H]2CCCO2)CC1 ZINC000566180061 381639888 /nfs/dbraw/zinc/63/98/88/381639888.db2.gz XLBHMTARKQJTOJ-LSDHHAIUSA-N 1 3 313.442 -0.036 20 0 DBADHO CC1CCN(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000566233191 381643979 /nfs/dbraw/zinc/64/39/79/381643979.db2.gz ZCKNFONOYMYNQO-HZPDHXFCSA-N 1 3 315.458 -0.638 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(C(C)(C)COC)CC1 ZINC000566428984 381657681 /nfs/dbraw/zinc/65/76/81/381657681.db2.gz MXYWWPDDZFCUGT-HNNXBMFYSA-N 1 3 317.474 -0.032 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(C(C)(C)COC)CC1 ZINC000566428984 381657684 /nfs/dbraw/zinc/65/76/84/381657684.db2.gz MXYWWPDDZFCUGT-HNNXBMFYSA-N 1 3 317.474 -0.032 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000566512790 381664161 /nfs/dbraw/zinc/66/41/61/381664161.db2.gz PFPIZRNEJGOAIP-KGYLQXTDSA-N 1 3 307.398 -0.824 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000566512790 381664167 /nfs/dbraw/zinc/66/41/67/381664167.db2.gz PFPIZRNEJGOAIP-KGYLQXTDSA-N 1 3 307.398 -0.824 20 0 DBADHO NC(=O)NC(=O)CC[NH2+]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000567687998 381709088 /nfs/dbraw/zinc/70/90/88/381709088.db2.gz GWNDCLDUDURPGK-STQMWFEESA-N 1 3 312.414 -0.071 20 0 DBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566925849 381675679 /nfs/dbraw/zinc/67/56/79/381675679.db2.gz FBOQPNIWKAKRTO-SAXRGWBVSA-N 1 3 321.425 -0.578 20 0 DBADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566925849 381675684 /nfs/dbraw/zinc/67/56/84/381675684.db2.gz FBOQPNIWKAKRTO-SAXRGWBVSA-N 1 3 321.425 -0.578 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCCC[NH+]3CCCCC3)CCN2C1=O ZINC000572663505 381795850 /nfs/dbraw/zinc/79/58/50/381795850.db2.gz QWNPKMDIRYYRCP-UONOGXRCSA-N 1 3 323.441 -0.184 20 0 DBADHO COCCNC(=O)CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000573614856 381835371 /nfs/dbraw/zinc/83/53/71/381835371.db2.gz QFEPFRWPTINPQG-HNNXBMFYSA-N 1 3 312.458 -0.244 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)C[C@@H]21 ZINC000572868811 381803143 /nfs/dbraw/zinc/80/31/43/381803143.db2.gz IDZZMOPFCHUZCP-JARUQAPTSA-N 1 3 320.437 -0.265 20 0 DBADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000573075138 381812431 /nfs/dbraw/zinc/81/24/31/381812431.db2.gz HWEBUCBULOEFND-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000574799914 381877744 /nfs/dbraw/zinc/87/77/44/381877744.db2.gz UBWAJPFCNPSTRR-CQSZACIVSA-N 1 3 320.437 -0.105 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CCN2C1=O ZINC000574465998 381865010 /nfs/dbraw/zinc/86/50/10/381865010.db2.gz QHOUHEOSCZYCOK-KSTCHIGDSA-N 1 3 306.410 -0.323 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@H+](C)C1CC1 ZINC000574466552 381865048 /nfs/dbraw/zinc/86/50/48/381865048.db2.gz LFYZHCULUMFNMB-RAIGVLPGSA-N 1 3 309.414 -0.578 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000574466552 381865052 /nfs/dbraw/zinc/86/50/52/381865052.db2.gz LFYZHCULUMFNMB-RAIGVLPGSA-N 1 3 309.414 -0.578 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000576146851 381914478 /nfs/dbraw/zinc/91/44/78/381914478.db2.gz IFILJKHEPPVULX-FQUUOJAGSA-N 1 3 308.426 -0.265 20 0 DBADHO CC(=O)N1CCN(C(=O)[C@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000576874713 381938804 /nfs/dbraw/zinc/93/88/04/381938804.db2.gz AXONITWFGPTTBA-CWRNSKLLSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[N@H+](C)C[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000578140236 381997412 /nfs/dbraw/zinc/99/74/12/381997412.db2.gz CXSNBVJVKLWMCG-HNNXBMFYSA-N 1 3 312.458 -0.461 20 0 DBADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000578140236 381997421 /nfs/dbraw/zinc/99/74/21/381997421.db2.gz CXSNBVJVKLWMCG-HNNXBMFYSA-N 1 3 312.458 -0.461 20 0 DBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]2CN(C)C[C@H]21 ZINC000578998868 382044506 /nfs/dbraw/zinc/04/45/06/382044506.db2.gz LZUOUQPMUPDLOI-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000579221142 382053283 /nfs/dbraw/zinc/05/32/83/382053283.db2.gz DTOIEWSVLNWAAJ-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000578595354 382023885 /nfs/dbraw/zinc/02/38/85/382023885.db2.gz HXJANMPPKNQLPZ-GJZGRUSLSA-N 1 3 310.442 -0.661 20 0 DBADHO O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000578595354 382023887 /nfs/dbraw/zinc/02/38/87/382023887.db2.gz HXJANMPPKNQLPZ-GJZGRUSLSA-N 1 3 310.442 -0.661 20 0 DBADHO CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000578768076 382033789 /nfs/dbraw/zinc/03/37/89/382033789.db2.gz MSRRLYOVASOHBL-ZIAGYGMSSA-N 1 3 323.441 -0.328 20 0 DBADHO CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000578768074 382033833 /nfs/dbraw/zinc/03/38/33/382033833.db2.gz MSRRLYOVASOHBL-KGLIPLIRSA-N 1 3 323.441 -0.328 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000578767397 382034105 /nfs/dbraw/zinc/03/41/05/382034105.db2.gz UCIMBFBZXVHAQG-UMSGYPCISA-N 1 3 309.414 -0.543 20 0 DBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000581009634 382125636 /nfs/dbraw/zinc/12/56/36/382125636.db2.gz RJJGCABNEKIAMT-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000581243083 382135022 /nfs/dbraw/zinc/13/50/22/382135022.db2.gz GQGHFUACTMRVIJ-MJBXVCDLSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+]CCCCn1cc(C(=O)N[C@H]2CNCCC2(F)F)nn1 ZINC000581428673 382147721 /nfs/dbraw/zinc/14/77/21/382147721.db2.gz XSLBYWGGGWMLFC-JTQLQIEISA-N 1 3 302.329 -0.256 20 0 DBADHO O=C(CCOC1CNC1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000581483409 382150712 /nfs/dbraw/zinc/15/07/12/382150712.db2.gz KUYZMESQACOVHT-NSHDSACASA-N 1 3 324.347 -0.683 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(C[C@H](C)O)C[C@H]1C ZINC000581556107 382157107 /nfs/dbraw/zinc/15/71/07/382157107.db2.gz QVUVVDOVHSVDOJ-ILXRZTDVSA-N 1 3 303.447 -0.688 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000642439418 382168154 /nfs/dbraw/zinc/16/81/54/382168154.db2.gz GNJJAOPGFUOSFD-OLZOCXBDSA-N 1 3 312.414 -0.837 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H](C2CC2)[NH+](C)C)CC1=O ZINC000072996127 382322030 /nfs/dbraw/zinc/32/20/30/382322030.db2.gz HWAYBCLBJDHSLB-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000074252984 382327387 /nfs/dbraw/zinc/32/73/87/382327387.db2.gz GXUFIZDAUVBSGR-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN1CCC(NC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627292686 382356695 /nfs/dbraw/zinc/35/66/95/382356695.db2.gz AZXBJILMDPSNMK-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO O=C([C@H]1CN2CCN1CCC2)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620481814 382449273 /nfs/dbraw/zinc/44/92/73/382449273.db2.gz XOABKLFYVFGYCG-JKSUJKDBSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C([C@H]1CN2CCN1CCC2)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620481814 382449277 /nfs/dbraw/zinc/44/92/77/382449277.db2.gz XOABKLFYVFGYCG-JKSUJKDBSA-N 1 3 322.453 -0.566 20 0 DBADHO CC(C)[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1 ZINC000621153121 382466238 /nfs/dbraw/zinc/46/62/38/382466238.db2.gz KZMPRONAUZLFLB-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622027811 382535206 /nfs/dbraw/zinc/53/52/06/382535206.db2.gz ICASIRFUHHGTKN-IOASZLSFSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622029796 382536951 /nfs/dbraw/zinc/53/69/51/382536951.db2.gz LOBALZYLBLHKNV-BLLLJJGKSA-N 1 3 308.426 -0.121 20 0 DBADHO CN1CCC(CNc2nc(N)nc(N)n2)([NH+]2CCCCC2)CC1 ZINC000624002190 382593882 /nfs/dbraw/zinc/59/38/82/382593882.db2.gz YLHVKFCVCFZEQB-UHFFFAOYSA-N 1 3 320.445 -0.519 20 0 DBADHO CC(C)(C)N1CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627490234 382633922 /nfs/dbraw/zinc/63/39/22/382633922.db2.gz XNGXWDGTVYENDA-GFCCVEGCSA-N 1 3 314.430 -0.543 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627357406 382618021 /nfs/dbraw/zinc/61/80/21/382618021.db2.gz FSZCXAIECRHOAV-CYBMUJFWSA-N 1 3 314.430 -0.541 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)CN1CCCCC1 ZINC000627357577 382618334 /nfs/dbraw/zinc/61/83/34/382618334.db2.gz JYIFNPZFKSKHJH-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCOCC1 ZINC000627380374 382620345 /nfs/dbraw/zinc/62/03/45/382620345.db2.gz OMXAUZHJMAKSNN-CYBMUJFWSA-N 1 3 324.425 -0.789 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCOCC1 ZINC000627380375 382620443 /nfs/dbraw/zinc/62/04/43/382620443.db2.gz OMXAUZHJMAKSNN-ZDUSSCGKSA-N 1 3 324.425 -0.789 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000627379955 382620566 /nfs/dbraw/zinc/62/05/66/382620566.db2.gz CNUNGBXQRDQJKV-MELADBBJSA-N 1 3 308.426 -0.156 20 0 DBADHO [NH3+]CCCOCCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000627380567 382621083 /nfs/dbraw/zinc/62/10/83/382621083.db2.gz SWXKJJCJEKINGC-CYBMUJFWSA-N 1 3 312.414 -0.932 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627428605 382626104 /nfs/dbraw/zinc/62/61/04/382626104.db2.gz JSCHNTCSEXBTHW-GFCCVEGCSA-N 1 3 300.403 -0.932 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445965 382627873 /nfs/dbraw/zinc/62/78/73/382627873.db2.gz CKNVGJXNOZWRSA-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452714 382628035 /nfs/dbraw/zinc/62/80/35/382628035.db2.gz RTCVCKCQQNOLHW-GFCCVEGCSA-N 1 3 312.414 -0.837 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627483020 382632201 /nfs/dbraw/zinc/63/22/01/382632201.db2.gz YGGOOULNLFSQPO-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO CN(C(=O)Cc1nnc[nH]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000631246825 382646439 /nfs/dbraw/zinc/64/64/39/382646439.db2.gz KXCQBNSCZOPMBD-ZDUSSCGKSA-N 1 3 306.414 -0.026 20 0 DBADHO CC[NH+](CC)CCNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000631637283 382648836 /nfs/dbraw/zinc/64/88/36/382648836.db2.gz NGEKJFCTTLMTDX-UHFFFAOYSA-N 1 3 320.503 -0.115 20 0 DBADHO CN(C)CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000631902879 382653077 /nfs/dbraw/zinc/65/30/77/382653077.db2.gz SXSDLURZTMCQIH-GFCCVEGCSA-N 1 3 320.459 -0.945 20 0 DBADHO CN1CCN(CCCS(=O)(=O)N2CCC[NH2+]CC2)CC1 ZINC000631900911 382653344 /nfs/dbraw/zinc/65/33/44/382653344.db2.gz LPDJILZUSXMSMQ-UHFFFAOYSA-N 1 3 304.460 -0.751 20 0 DBADHO C[C@@H]([NH3+])[C@H]1CN(S(=O)(=O)CCCN2CCCC2)CCO1 ZINC000631907520 382653502 /nfs/dbraw/zinc/65/35/02/382653502.db2.gz MPZPAEXLSUULQT-CHWSQXEVSA-N 1 3 305.444 -0.150 20 0 DBADHO CN(C)CCCS(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000631937261 382655925 /nfs/dbraw/zinc/65/59/25/382655925.db2.gz DNKBIIREFMRWKQ-CYBMUJFWSA-N 1 3 304.460 -0.753 20 0 DBADHO O=S(=O)(CCCN1CCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000631941145 382656122 /nfs/dbraw/zinc/65/61/22/382656122.db2.gz PFXNZISRLUJWLD-ZDUSSCGKSA-N 1 3 305.444 -0.230 20 0 DBADHO [NH3+]C[C@H]1CN(S(=O)(=O)CCCN2CCCC2)CCCO1 ZINC000631944999 382656467 /nfs/dbraw/zinc/65/64/67/382656467.db2.gz MNLJJVPCKWDCCT-ZDUSSCGKSA-N 1 3 305.444 -0.148 20 0 DBADHO CCN1CCN([C@@H](C)CNS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632253984 382665091 /nfs/dbraw/zinc/66/50/91/382665091.db2.gz HCBIENLPNXCUFI-AWEZNQCLSA-N 1 3 320.503 -0.117 20 0 DBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000633043242 382680347 /nfs/dbraw/zinc/68/03/47/382680347.db2.gz YWWCQEUOFGQCBH-GHMZBOCLSA-N 1 3 308.386 -0.669 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000633084984 382681344 /nfs/dbraw/zinc/68/13/44/382681344.db2.gz SFIOZEMHAHFVCH-MGPQQGTHSA-N 1 3 308.426 -0.264 20 0 DBADHO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC[C@H]1CN1CCCC1 ZINC000633086061 382681355 /nfs/dbraw/zinc/68/13/55/382681355.db2.gz YJXUAZBLFLJNSM-IHRRRGAJSA-N 1 3 306.410 -0.354 20 0 DBADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC000633094879 382682132 /nfs/dbraw/zinc/68/21/32/382682132.db2.gz MVEWLWIWCSSCIB-YIYPIFLZSA-N 1 3 308.426 -0.110 20 0 DBADHO C[C@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC000633094876 382682151 /nfs/dbraw/zinc/68/21/51/382682151.db2.gz MVEWLWIWCSSCIB-FQUUOJAGSA-N 1 3 308.426 -0.110 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@H](C)C2)C[C@H]1C[NH3+] ZINC000633095315 382682194 /nfs/dbraw/zinc/68/21/94/382682194.db2.gz TYAZJIICQMEITO-AAVRWANBSA-N 1 3 310.442 -0.019 20 0 DBADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633095723 382682200 /nfs/dbraw/zinc/68/22/00/382682200.db2.gz YQIMLEXSNYMZBT-YIYPIFLZSA-N 1 3 308.426 -0.252 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000633101971 382682592 /nfs/dbraw/zinc/68/25/92/382682592.db2.gz FFGMEWWAMWQYTQ-BETUJISGSA-N 1 3 308.426 -0.108 20 0 DBADHO COCCN1CC[C@H](NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000354702734 220575471 /nfs/dbraw/zinc/57/54/71/220575471.db2.gz GGMDFAYVWVRCHJ-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000366941651 220854011 /nfs/dbraw/zinc/85/40/11/220854011.db2.gz BEYHZURYSGFWJY-AVGNSLFASA-N 1 3 314.405 -0.445 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000236888191 391974396 /nfs/dbraw/zinc/97/43/96/391974396.db2.gz NRNQUMCRCHQGDQ-GJZGRUSLSA-N 1 3 312.458 -0.103 20 0 DBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)COC3(C)CNC3)CC2)C1 ZINC000649352910 392051417 /nfs/dbraw/zinc/05/14/17/392051417.db2.gz TXOJXZYQRXFAAN-CQSZACIVSA-N 1 3 310.442 -0.397 20 0 DBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)COC3(C)CNC3)CC2)C1 ZINC000649352910 392051430 /nfs/dbraw/zinc/05/14/30/392051430.db2.gz TXOJXZYQRXFAAN-CQSZACIVSA-N 1 3 310.442 -0.397 20 0 DBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)COC3(C)CNC3)CC2)C1 ZINC000649352909 392052142 /nfs/dbraw/zinc/05/21/42/392052142.db2.gz TXOJXZYQRXFAAN-AWEZNQCLSA-N 1 3 310.442 -0.397 20 0 DBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)COC3(C)CNC3)CC2)C1 ZINC000649352909 392052150 /nfs/dbraw/zinc/05/21/50/392052150.db2.gz TXOJXZYQRXFAAN-AWEZNQCLSA-N 1 3 310.442 -0.397 20 0 DBADHO CC1(OCC(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CNC1 ZINC000648130888 392356587 /nfs/dbraw/zinc/35/65/87/392356587.db2.gz IBLLTLMUMVNKDT-SNVBAGLBSA-N 1 3 324.347 -0.683 20 0 DBADHO O=C([C@H]1CNCCC1(F)F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000648136345 392359835 /nfs/dbraw/zinc/35/98/35/392359835.db2.gz ZXDHKFLLDMSIIH-NWDGAFQWSA-N 1 3 302.369 -0.263 20 0 DBADHO C[NH2+]CCN(C)C(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418857539 392360976 /nfs/dbraw/zinc/36/09/76/392360976.db2.gz ZEUNVJNMPXCUGA-HNNXBMFYSA-N 1 3 320.437 -0.047 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000370764071 392363307 /nfs/dbraw/zinc/36/33/07/392363307.db2.gz VARVPDMTXVOYPE-HNNXBMFYSA-N 1 3 312.389 -0.545 20 0 DBADHO C[C@@H](CNC(=O)CSCC(=O)NC[C@H](C)[NH+](C)C)N(C)C ZINC000357164481 392383209 /nfs/dbraw/zinc/38/32/09/392383209.db2.gz MNXIMDBSNVZCAQ-RYUDHWBXSA-N 1 3 318.487 -0.148 20 0 DBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000648153021 392442763 /nfs/dbraw/zinc/44/27/63/392442763.db2.gz ZGDKOEINCGDTIX-OAHLLOKOSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000648153021 392442769 /nfs/dbraw/zinc/44/27/69/392442769.db2.gz ZGDKOEINCGDTIX-OAHLLOKOSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@@H]21 ZINC000317568914 392611112 /nfs/dbraw/zinc/61/11/12/392611112.db2.gz LJJJINPNDAJBIZ-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@@H]21 ZINC000317568914 392611117 /nfs/dbraw/zinc/61/11/17/392611117.db2.gz LJJJINPNDAJBIZ-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@H]21 ZINC000317568921 392612852 /nfs/dbraw/zinc/61/28/52/392612852.db2.gz LJJJINPNDAJBIZ-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@H]21 ZINC000317568921 392612858 /nfs/dbraw/zinc/61/28/58/392612858.db2.gz LJJJINPNDAJBIZ-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@]1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCC[NH2+]C1 ZINC000566508761 392548730 /nfs/dbraw/zinc/54/87/30/392548730.db2.gz LLAZNTONBRZMAZ-XUJVJEKNSA-N 1 3 309.414 -0.671 20 0 DBADHO O[C@@H](C[NH2+]C[C@H](O)CN1CCOCC1)CN1CCCCC1 ZINC000647517911 392632523 /nfs/dbraw/zinc/63/25/23/392632523.db2.gz SZHFUEFMZYTIOZ-GJZGRUSLSA-N 1 3 301.431 -0.884 20 0 DBADHO O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000647977124 393030485 /nfs/dbraw/zinc/03/04/85/393030485.db2.gz XZIAGYLSBPJKSL-UONOGXRCSA-N 1 3 308.426 -0.344 20 0 DBADHO C[C@H]1CCN(C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346141942 393084291 /nfs/dbraw/zinc/08/42/91/393084291.db2.gz VUXKXZPJVCLYCD-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC(C)(C)[NH3+] ZINC000417431065 393045612 /nfs/dbraw/zinc/04/56/12/393045612.db2.gz QKKXIAAQKNKKAN-LBPRGKRZSA-N 1 3 313.446 -0.034 20 0 DBADHO COCCN1CC[C@H](NC(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000417699751 393064903 /nfs/dbraw/zinc/06/49/03/393064903.db2.gz GAOYIZPATXZBMQ-DZGCQCFKSA-N 1 3 314.430 -0.225 20 0 DBADHO COCCN1CC[C@H](NC(=O)NC[C@]2(COC)CCC[NH2+]2)C1 ZINC000417699754 393065118 /nfs/dbraw/zinc/06/51/18/393065118.db2.gz GAOYIZPATXZBMQ-ZFWWWQNUSA-N 1 3 314.430 -0.225 20 0 DBADHO COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCN(CCOC)C1 ZINC000349906162 393224096 /nfs/dbraw/zinc/22/40/96/393224096.db2.gz OFMIKSNZBUMICN-AWEZNQCLSA-N 1 3 316.446 -0.073 20 0 DBADHO CN(C)[C@]1(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CCSC1 ZINC000351573989 393286517 /nfs/dbraw/zinc/28/65/17/393286517.db2.gz UMIQPGHVTNYYKV-FZMZJTMJSA-N 1 3 314.455 -0.592 20 0 DBADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332666679 393331649 /nfs/dbraw/zinc/33/16/49/393331649.db2.gz YGJRCTAKFVBTLD-JSGCOSHPSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)cn1 ZINC000104533851 393407040 /nfs/dbraw/zinc/40/70/40/393407040.db2.gz SJUGAFOVWRKOAN-UHFFFAOYSA-N 1 3 307.398 -0.254 20 0 DBADHO CO[C@H](C[NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000353505295 393427682 /nfs/dbraw/zinc/42/76/82/393427682.db2.gz CPTLOWGTTMFCRC-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418874564 393524455 /nfs/dbraw/zinc/52/44/55/393524455.db2.gz JDKHAHMNLBZLFT-CQSZACIVSA-N 1 3 306.410 -0.389 20 0 DBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000418874975 393524919 /nfs/dbraw/zinc/52/49/19/393524919.db2.gz JRIDQHWIOWMXFV-HUUCEWRRSA-N 1 3 318.421 -0.165 20 0 DBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419230655 393555482 /nfs/dbraw/zinc/55/54/82/393555482.db2.gz QDDUYQGQYSJYKT-KBPBESRZSA-N 1 3 308.426 -0.073 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419283770 393568028 /nfs/dbraw/zinc/56/80/28/393568028.db2.gz KGJHWGOLRTXHAU-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419289103 393563876 /nfs/dbraw/zinc/56/38/76/393563876.db2.gz SPAAUUVBWHOYPO-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419403420 393572068 /nfs/dbraw/zinc/57/20/68/393572068.db2.gz DOWGNIYOAZUULT-RDBSUJKOSA-N 1 3 310.442 -0.051 20 0 DBADHO COCCN(C)CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262407407 393597277 /nfs/dbraw/zinc/59/72/77/393597277.db2.gz YYQOARURDZJMQZ-UHFFFAOYSA-N 1 3 309.414 -0.344 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000419453839 393580184 /nfs/dbraw/zinc/58/01/84/393580184.db2.gz SJXYLZQWRDSQEH-STQMWFEESA-N 1 3 314.430 -0.733 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419454897 393581459 /nfs/dbraw/zinc/58/14/59/393581459.db2.gz UZPLQNXEQGDJKS-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NCCN(C)CCCOC ZINC000419456407 393581814 /nfs/dbraw/zinc/58/18/14/393581814.db2.gz ZWTQJAKFIFMXJL-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419526543 393586297 /nfs/dbraw/zinc/58/62/97/393586297.db2.gz UBOUVKSVOUBFFH-BFHYXJOUSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC2([NH3+])CCC2)CCSC1 ZINC000419579592 393589392 /nfs/dbraw/zinc/58/93/92/393589392.db2.gz HNLXVLXOFMXFHI-CQSZACIVSA-N 1 3 314.455 -0.463 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C[C@H]1[NH3+] ZINC000419576188 393589426 /nfs/dbraw/zinc/58/94/26/393589426.db2.gz BVBVHBINIZNQCR-JTNHKYCSSA-N 1 3 314.455 -0.655 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419580998 393589737 /nfs/dbraw/zinc/58/97/37/393589737.db2.gz ICHQQJPRBRTFJG-OLZOCXBDSA-N 1 3 312.414 -0.837 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)N(C)C1CC1 ZINC000419592041 393591159 /nfs/dbraw/zinc/59/11/59/393591159.db2.gz RMYPDQDQAVGAFI-AGIUHOORSA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@@H]1CN ZINC000423717615 393614362 /nfs/dbraw/zinc/61/43/62/393614362.db2.gz BDSGQJUWFALVRX-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO COCCN(C)CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424133295 393629450 /nfs/dbraw/zinc/62/94/50/393629450.db2.gz LQKHYVJBJWRDBL-CYBMUJFWSA-N 1 3 324.429 -0.099 20 0 DBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)C1 ZINC000646002932 393739815 /nfs/dbraw/zinc/73/98/15/393739815.db2.gz KGXWIQSGVSZWAH-LSDHHAIUSA-N 1 3 310.442 -0.397 20 0 DBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)C1 ZINC000646002932 393739820 /nfs/dbraw/zinc/73/98/20/393739820.db2.gz KGXWIQSGVSZWAH-LSDHHAIUSA-N 1 3 310.442 -0.397 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653148867 411649272 /nfs/dbraw/zinc/64/92/72/411649272.db2.gz NZYLVVRBWULYGI-UONOGXRCSA-N 1 3 300.447 -0.165 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000664330889 411698351 /nfs/dbraw/zinc/69/83/51/411698351.db2.gz NLOVUIWEJSVVKL-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CC(=O)N(C)C1 ZINC000664330889 411698352 /nfs/dbraw/zinc/69/83/52/411698352.db2.gz NLOVUIWEJSVVKL-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO CCO[C@@H]1CN(C(=O)NCCN(C)CCCOC)C[C@H]1C[NH3+] ZINC000652158876 411787307 /nfs/dbraw/zinc/78/73/07/411787307.db2.gz MQZNDNCLIIJUTE-ZIAGYGMSSA-N 1 3 316.446 -0.040 20 0 DBADHO CCO[C@@H]1CN(C(=O)C(=O)NCCN(CC)CC)C[C@H]1C[NH3+] ZINC000652691988 411724096 /nfs/dbraw/zinc/72/40/96/411724096.db2.gz GAJNYIZXZNMXOR-CHWSQXEVSA-N 1 3 314.430 -0.733 20 0 DBADHO CN(C)CCn1cc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cn1 ZINC000652612656 411806498 /nfs/dbraw/zinc/80/64/98/411806498.db2.gz YUQNUHJYPNJANW-CYBMUJFWSA-N 1 3 309.418 -0.449 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[C@H]1[NH3+] ZINC000652624937 411807082 /nfs/dbraw/zinc/80/70/82/411807082.db2.gz QRTSEENQMABMQI-ZYHUDNBSSA-N 1 3 308.386 -0.811 20 0 DBADHO CN(C)CCn1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cn1 ZINC000652612657 411807390 /nfs/dbraw/zinc/80/73/90/411807390.db2.gz YUQNUHJYPNJANW-ZDUSSCGKSA-N 1 3 309.418 -0.449 20 0 DBADHO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCCNCC2)cn1 ZINC000652620135 411807459 /nfs/dbraw/zinc/80/74/59/411807459.db2.gz ARWZFHQNKSKMAB-UHFFFAOYSA-N 1 3 308.386 -0.795 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652620601 411807512 /nfs/dbraw/zinc/80/75/12/411807512.db2.gz MQIXTZWEFVFZFI-LLVKDONJSA-N 1 3 308.386 -0.797 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000652623101 411808548 /nfs/dbraw/zinc/80/85/48/411808548.db2.gz ALOHROXRGWAZHW-TXEJJXNPSA-N 1 3 320.397 -0.939 20 0 DBADHO [NH3+]CC1(CCNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000652687938 411816284 /nfs/dbraw/zinc/81/62/84/411816284.db2.gz QBJAAMFCNPSUPX-ZDUSSCGKSA-N 1 3 308.426 -0.168 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000652703876 411819507 /nfs/dbraw/zinc/81/95/07/411819507.db2.gz ANTRHGLWSZNNNP-ZDUSSCGKSA-N 1 3 312.414 -0.965 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000652731985 411825921 /nfs/dbraw/zinc/82/59/21/411825921.db2.gz AHPQVSVEIAATND-OKILXGFUSA-N 1 3 308.426 -0.392 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000659637565 411854543 /nfs/dbraw/zinc/85/45/43/411854543.db2.gz PSOMTNPOSDIRCC-STQMWFEESA-N 1 3 315.462 -0.014 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659638607 411855400 /nfs/dbraw/zinc/85/54/00/411855400.db2.gz UFGOFDLHNIMRHR-OLZOCXBDSA-N 1 3 311.430 -0.458 20 0 DBADHO CC[NH+]1CCC(CNC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659680005 411860833 /nfs/dbraw/zinc/86/08/33/411860833.db2.gz IRGIJOMBOLDXCL-UHFFFAOYSA-N 1 3 308.426 -0.216 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000659751321 411885289 /nfs/dbraw/zinc/88/52/89/411885289.db2.gz GLEJSSLTIPZJCK-LBPRGKRZSA-N 1 3 314.430 -0.720 20 0 DBADHO COCCN(C)CCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654422447 411936847 /nfs/dbraw/zinc/93/68/47/411936847.db2.gz APFAOMIJLJNERQ-QWHCGFSZSA-N 1 3 300.403 -0.975 20 0 DBADHO COCCN(C)CCNC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000654422447 411936851 /nfs/dbraw/zinc/93/68/51/411936851.db2.gz APFAOMIJLJNERQ-QWHCGFSZSA-N 1 3 300.403 -0.975 20 0 DBADHO C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000653047789 411873752 /nfs/dbraw/zinc/87/37/52/411873752.db2.gz UCSXYKSDLJFKHZ-ZDUSSCGKSA-N 1 3 306.414 -0.291 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCC2(CCN(C)C2=O)CC1 ZINC000653647516 411884307 /nfs/dbraw/zinc/88/43/07/411884307.db2.gz NDDPQPVJQTZCIK-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCC2(CCN(C)C2=O)CC1 ZINC000653647516 411884310 /nfs/dbraw/zinc/88/43/10/411884310.db2.gz NDDPQPVJQTZCIK-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968980 411982515 /nfs/dbraw/zinc/98/25/15/411982515.db2.gz CWXRMDQQTZPWJP-QKGCVVFFSA-N 1 3 308.426 -0.165 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656020897 411988115 /nfs/dbraw/zinc/98/81/15/411988115.db2.gz VUANTZLATVCHNE-MGPQQGTHSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656022022 411988164 /nfs/dbraw/zinc/98/81/64/411988164.db2.gz RYGDXSGWPXOSQL-KGLIPLIRSA-N 1 3 308.426 -0.012 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC000656028366 411991210 /nfs/dbraw/zinc/99/12/10/411991210.db2.gz KNQBNVPANLVWEN-HZSPNIEDSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656069331 411992647 /nfs/dbraw/zinc/99/26/47/411992647.db2.gz YCMUVVVTJVXOIQ-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656325419 412002432 /nfs/dbraw/zinc/00/24/32/412002432.db2.gz QTEDGHQZIDTSIL-BETUJISGSA-N 1 3 314.430 -0.863 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC[NH2+]C1CC1 ZINC000659506528 412090487 /nfs/dbraw/zinc/09/04/87/412090487.db2.gz TVSHOHPKYFWKFZ-UHFFFAOYSA-N 1 3 313.446 -0.210 20 0 DBADHO CC(C)[C@@H]([NH3+])CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659515544 412091975 /nfs/dbraw/zinc/09/19/75/412091975.db2.gz CCFLXSSTLZPYPK-LBPRGKRZSA-N 1 3 301.435 -0.369 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCC2CC[NH2+]CC2)n1 ZINC000659561638 412093412 /nfs/dbraw/zinc/09/34/12/412093412.db2.gz POKPUMHJGIOZND-UHFFFAOYSA-N 1 3 308.386 -0.170 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000659674522 412101839 /nfs/dbraw/zinc/10/18/39/412101839.db2.gz MNWQQJFSMKVHOA-DZGCQCFKSA-N 1 3 320.437 0.000 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659681250 412104225 /nfs/dbraw/zinc/10/42/25/412104225.db2.gz ZDHHZNRHKCFHRT-UHFFFAOYSA-N 1 3 324.425 -0.837 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[N@@H+]1C1CC1 ZINC000659692756 412104998 /nfs/dbraw/zinc/10/49/98/412104998.db2.gz GMCCOCRZHXVFSU-LYIQGSDWSA-N 1 3 312.389 -0.375 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[N@H+]1C1CC1 ZINC000659692756 412105003 /nfs/dbraw/zinc/10/50/03/412105003.db2.gz GMCCOCRZHXVFSU-LYIQGSDWSA-N 1 3 312.389 -0.375 20 0 DBADHO C[NH+](C)C1CCC(NC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659728932 412115254 /nfs/dbraw/zinc/11/52/54/412115254.db2.gz PBETWCYDBRLUMI-UHFFFAOYSA-N 1 3 308.426 -0.075 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000659738675 412118288 /nfs/dbraw/zinc/11/82/88/412118288.db2.gz IICQDQIVGPYSPT-OLZOCXBDSA-N 1 3 312.414 -0.837 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000659742100 412119372 /nfs/dbraw/zinc/11/93/72/412119372.db2.gz QEOSWRLIEDISRL-XOYHFGRZSA-N 1 3 320.437 -0.059 20 0 DBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659741271 412119918 /nfs/dbraw/zinc/11/99/18/412119918.db2.gz IOMYVCYVACQRKY-VEAWUBTESA-N 1 3 308.426 -0.345 20 0 DBADHO O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C1(CO)CCNCC1 ZINC000662287366 412176485 /nfs/dbraw/zinc/17/64/85/412176485.db2.gz YQGRJZUEPHHFRM-UHFFFAOYSA-N 1 3 310.398 -0.445 20 0 DBADHO NC1(C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CC2(CCC2)C1 ZINC000662403876 412181994 /nfs/dbraw/zinc/18/19/94/412181994.db2.gz JWUJQVWQPPIEBV-GFCCVEGCSA-N 1 3 308.426 -0.039 20 0 DBADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)C1 ZINC000662760566 412199414 /nfs/dbraw/zinc/19/94/14/412199414.db2.gz WYBOKLFURASAQR-RRFJBIMHSA-N 1 3 310.442 -0.411 20 0 DBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662940476 412215255 /nfs/dbraw/zinc/21/52/55/412215255.db2.gz IELGCIUSRZIVFN-FUJMWEONSA-N 1 3 308.426 -0.264 20 0 DBADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)C1 ZINC000662760565 412199869 /nfs/dbraw/zinc/19/98/69/412199869.db2.gz WYBOKLFURASAQR-KKUMJFAQSA-N 1 3 310.442 -0.411 20 0 DBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662940476 412215259 /nfs/dbraw/zinc/21/52/59/412215259.db2.gz IELGCIUSRZIVFN-FUJMWEONSA-N 1 3 308.426 -0.264 20 0 DBADHO Cc1c(CN)c(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)nn1C ZINC000662837317 412205710 /nfs/dbraw/zinc/20/57/10/412205710.db2.gz NZLXHQWFPCWHSB-NSHDSACASA-N 1 3 322.413 -0.464 20 0 DBADHO CN(C)C(=O)C1(NC/C=C\C[NH2+]C2(C(=O)N(C)C)CC2)CC1 ZINC000660800088 412148082 /nfs/dbraw/zinc/14/80/82/412148082.db2.gz ISXCRDSOEJZLSD-WAYWQWQTSA-N 1 3 308.426 -0.037 20 0 DBADHO COCCN(C)C[C@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151517 412170729 /nfs/dbraw/zinc/17/07/29/412170729.db2.gz IUDQPOXXUDVCCW-HOTGVXAUSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151517 412170730 /nfs/dbraw/zinc/17/07/30/412170730.db2.gz IUDQPOXXUDVCCW-HOTGVXAUSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@@H](O)CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662151522 412171207 /nfs/dbraw/zinc/17/12/07/412171207.db2.gz IUDQPOXXUDVCCW-JKSUJKDBSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@@H](O)CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662151522 412171211 /nfs/dbraw/zinc/17/12/11/412171211.db2.gz IUDQPOXXUDVCCW-JKSUJKDBSA-N 1 3 315.458 -0.544 20 0 DBADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662250713 412173766 /nfs/dbraw/zinc/17/37/66/412173766.db2.gz MLCHEHBITPVDLG-QWHCGFSZSA-N 1 3 317.455 -0.231 20 0 DBADHO O=C(NC[C@@H]1CCCN(C[C@H]2CNCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000662264257 412174021 /nfs/dbraw/zinc/17/40/21/412174021.db2.gz HDKYOWUMEPJTLR-RRFJBIMHSA-N 1 3 310.442 -0.445 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262240 412174892 /nfs/dbraw/zinc/17/48/92/412174892.db2.gz UNIZSQIZYIDNLH-OAHLLOKOSA-N 1 3 324.469 -0.007 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000663448131 412232515 /nfs/dbraw/zinc/23/25/15/412232515.db2.gz YODQYDXAYFPOEL-UHFFFAOYSA-N 1 3 313.446 -0.258 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCN(C)C1=O ZINC000664193924 412250717 /nfs/dbraw/zinc/25/07/17/412250717.db2.gz ZWXVCTPMRFODQG-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCN(C)C1=O ZINC000664193924 412250719 /nfs/dbraw/zinc/25/07/19/412250719.db2.gz ZWXVCTPMRFODQG-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnc(N)n1 ZINC000630880647 412483744 /nfs/dbraw/zinc/48/37/44/412483744.db2.gz UMIJHBBQLVHLLX-CYBMUJFWSA-N 1 3 323.445 -0.265 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnc(N)n1 ZINC000630880647 412483750 /nfs/dbraw/zinc/48/37/50/412483750.db2.gz UMIJHBBQLVHLLX-CYBMUJFWSA-N 1 3 323.445 -0.265 20 0 DBADHO C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448509782 412464350 /nfs/dbraw/zinc/46/43/50/412464350.db2.gz IJNOEKADBPHVCH-LBPRGKRZSA-N 1 3 324.429 -0.160 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1 ZINC000659738575 418959668 /nfs/dbraw/zinc/95/96/68/418959668.db2.gz GOXKZDNRCCFKJQ-MELADBBJSA-N 1 3 308.426 -0.203 20 0 DBADHO COCCN(C)CCNC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000080110771 544421930 /nfs/dbraw/zinc/42/19/30/544421930.db2.gz WBRUYJOMXRXAGH-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000670783725 544495984 /nfs/dbraw/zinc/49/59/84/544495984.db2.gz WUQQFDZYRQWGSC-CQSZACIVSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H]1C[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000675816438 544539841 /nfs/dbraw/zinc/53/98/41/544539841.db2.gz CIEFWYLEADQXRU-KGLIPLIRSA-N 1 3 318.487 -0.364 20 0 DBADHO C[C@@H]1C[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000675816438 544539845 /nfs/dbraw/zinc/53/98/45/544539845.db2.gz CIEFWYLEADQXRU-KGLIPLIRSA-N 1 3 318.487 -0.364 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000659738571 544600080 /nfs/dbraw/zinc/60/00/80/544600080.db2.gz GOXKZDNRCCFKJQ-IHRRRGAJSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000678791824 544921214 /nfs/dbraw/zinc/92/12/14/544921214.db2.gz FQEIVSHZGKZSSI-UHFFFAOYSA-N 1 3 310.402 -0.597 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000685303238 545029180 /nfs/dbraw/zinc/02/91/80/545029180.db2.gz NWJRZSWCNYOINR-RJZRQDKASA-N 1 3 322.453 -0.006 20 0 DBADHO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCOCCN(C)C ZINC000419779868 265814646 /nfs/dbraw/zinc/81/46/46/265814646.db2.gz PZYIBIDGVYSDTF-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419876127 265822681 /nfs/dbraw/zinc/82/26/81/265822681.db2.gz HPCSTIFJJYRIPA-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO C[NH2+][C@@H](C)CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420440506 265859355 /nfs/dbraw/zinc/85/93/55/265859355.db2.gz WVHQVMMDDXZUDG-JTQLQIEISA-N 1 3 317.459 -0.052 20 0 DBADHO [NH3+]CC1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC1 ZINC000430663034 266010030 /nfs/dbraw/zinc/01/00/30/266010030.db2.gz JEKCOZNPEWAJDU-UHFFFAOYSA-N 1 3 308.426 -0.262 20 0 DBADHO O=C(C[C@@H]1C[NH2+]CCO1)N1CCN(CC2CCOCC2)CC1 ZINC000430731946 266010718 /nfs/dbraw/zinc/01/07/18/266010718.db2.gz NLWQFSCKYUHBIS-OAHLLOKOSA-N 1 3 311.426 -0.064 20 0 DBADHO COCC[NH2+]CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000430882026 266014947 /nfs/dbraw/zinc/01/49/47/266014947.db2.gz GWIJDGSCPOITDN-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO [NH3+]C[C@@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430920251 266015896 /nfs/dbraw/zinc/01/58/96/266015896.db2.gz OCACXZQOIKWERM-AWEZNQCLSA-N 1 3 318.425 -0.204 20 0 DBADHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)COC2CNC2)CC1 ZINC000431059585 266017475 /nfs/dbraw/zinc/01/74/75/266017475.db2.gz WFOFHCBZBDXTCE-GJZGRUSLSA-N 1 3 324.469 -0.008 20 0 DBADHO C[NH+](C)C/C=C\C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000491854883 266148605 /nfs/dbraw/zinc/14/86/05/266148605.db2.gz ZELZHGJXQLIXJX-WAYWQWQTSA-N 1 3 308.426 -0.129 20 0 DBADHO CN(C)C/C=C\C(=O)NC1(CNC(=O)/C=C/C[NH+](C)C)CC1 ZINC000493129260 266169489 /nfs/dbraw/zinc/16/94/89/266169489.db2.gz LUMHZHIJJUURHT-YMBWGVAGSA-N 1 3 308.426 -0.013 20 0 DBADHO CN(C)C/C=C/C(=O)NCC1(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000493129260 266169494 /nfs/dbraw/zinc/16/94/94/266169494.db2.gz LUMHZHIJJUURHT-YMBWGVAGSA-N 1 3 308.426 -0.013 20 0 DBADHO C[NH+](C)C[C@H](O)CNC[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496761847 266245492 /nfs/dbraw/zinc/24/54/92/266245492.db2.gz YICSZKBEQNBWKG-BXUZGUMPSA-N 1 3 305.419 -0.226 20 0 DBADHO CN1CC[C@@](O)(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000497085047 266254374 /nfs/dbraw/zinc/25/43/74/266254374.db2.gz SLGXEQIXCSABBZ-CQSZACIVSA-N 1 3 315.418 -0.308 20 0 DBADHO CCN1CC[C@H]2OCCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000502604325 266260473 /nfs/dbraw/zinc/26/04/73/266260473.db2.gz RKFMCGJLWMOIIU-ARFHVFGLSA-N 1 3 322.453 -0.302 20 0 DBADHO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000502604325 266260474 /nfs/dbraw/zinc/26/04/74/266260474.db2.gz RKFMCGJLWMOIIU-ARFHVFGLSA-N 1 3 322.453 -0.302 20 0 DBADHO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000502604325 266260479 /nfs/dbraw/zinc/26/04/79/266260479.db2.gz RKFMCGJLWMOIIU-ARFHVFGLSA-N 1 3 322.453 -0.302 20 0 DBADHO CN(C)CCOc1ccc(NC(=O)C(=O)NC2C[NH2+]C2)cc1F ZINC000515517840 266273907 /nfs/dbraw/zinc/27/39/07/266273907.db2.gz SCOPBGSPQYOSNH-UHFFFAOYSA-N 1 3 324.356 -0.207 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CCC[NH3+])CCSC1 ZINC000515673458 266274789 /nfs/dbraw/zinc/27/47/89/266274789.db2.gz ZLNBVJRHEUGRBO-CYBMUJFWSA-N 1 3 302.444 -0.653 20 0 DBADHO CN(C)CCOCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000516059562 266276742 /nfs/dbraw/zinc/27/67/42/266276742.db2.gz LFFPAOLHXVOCTK-LBPRGKRZSA-N 1 3 310.402 -0.662 20 0 DBADHO [NH3+]Cc1ccc(C(=O)Nc2nc(N3CCNCC3)n[nH]2)cc1 ZINC000517932560 266298727 /nfs/dbraw/zinc/29/87/27/266298727.db2.gz QXZWUBPLSKBASV-UHFFFAOYSA-N 1 3 301.354 -0.075 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccnc1 ZINC000520258964 266318753 /nfs/dbraw/zinc/31/87/53/266318753.db2.gz NUFKUIRKPPVUMI-UHFFFAOYSA-N 1 3 321.425 -0.350 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn([C@H]2CCOC2)nn1 ZINC000520475653 266320226 /nfs/dbraw/zinc/32/02/26/266320226.db2.gz MGALHXFMSBIXMO-ZDUSSCGKSA-N 1 3 324.429 -0.195 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)N(C)C ZINC000525419173 266345613 /nfs/dbraw/zinc/34/56/13/266345613.db2.gz IQNPBQJBWSSGPR-UHFFFAOYSA-N 1 3 301.435 -0.401 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000362744629 288083756 /nfs/dbraw/zinc/08/37/56/288083756.db2.gz JVNDITDWFHJORF-CABCVRRESA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000362744629 288083759 /nfs/dbraw/zinc/08/37/59/288083759.db2.gz JVNDITDWFHJORF-CABCVRRESA-N 1 3 322.453 -0.049 20 0 DBADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000247445735 279304636 /nfs/dbraw/zinc/30/46/36/279304636.db2.gz YDSDXBZIPJLGDR-BFHYXJOUSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN(C)C)CC1=O ZINC000246484567 279330419 /nfs/dbraw/zinc/33/04/19/279330419.db2.gz RWZDIJCEGSENNT-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN1C[C@@H](C(=O)NCCN(C)C)CC1=O ZINC000246484567 279330420 /nfs/dbraw/zinc/33/04/20/279330420.db2.gz RWZDIJCEGSENNT-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332666684 288300248 /nfs/dbraw/zinc/30/02/48/288300248.db2.gz YGJRCTAKFVBTLD-TZMCWYRMSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000332085044 288300966 /nfs/dbraw/zinc/30/09/66/288300966.db2.gz FKKNFDDPMSKFKF-AAVRWANBSA-N 1 3 308.426 -0.075 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1=O ZINC000373066875 289158841 /nfs/dbraw/zinc/15/88/41/289158841.db2.gz WXGFTPWWVOOMGQ-BFHYXJOUSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C)CCNC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418618793 289161613 /nfs/dbraw/zinc/16/16/13/289161613.db2.gz OXWKWJNIYBATFI-SNVBAGLBSA-N 1 3 311.352 -0.317 20 0 DBADHO CN(C)CCNC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000418618792 289161695 /nfs/dbraw/zinc/16/16/95/289161695.db2.gz OXWKWJNIYBATFI-JTQLQIEISA-N 1 3 311.352 -0.317 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000332626470 289290217 /nfs/dbraw/zinc/29/02/17/289290217.db2.gz CWPOICBDVUDZMK-MGPQQGTHSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H](C(=O)NC(N)=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246987080 289339002 /nfs/dbraw/zinc/33/90/02/289339002.db2.gz ASUJETIRMXDRPM-WDEREUQCSA-N 1 3 300.403 -0.406 20 0 DBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000193706017 303373537 /nfs/dbraw/zinc/37/35/37/303373537.db2.gz ZPXDMUUUVBESIB-BXUZGUMPSA-N 1 3 300.378 -0.466 20 0 DBADHO O=C(CNC(=O)N[C@@H]1CC[NH2+]C1)NCCN1CCCCCC1 ZINC000418382773 303625269 /nfs/dbraw/zinc/62/52/69/303625269.db2.gz MXGDDAQCGGCDEC-CYBMUJFWSA-N 1 3 311.430 -0.360 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000572705877 332284561 /nfs/dbraw/zinc/28/45/61/332284561.db2.gz SAGVLIMTXIWXQX-KBPBESRZSA-N 1 3 323.441 -0.328 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CCN2C1=O ZINC000584362782 337101842 /nfs/dbraw/zinc/10/18/42/337101842.db2.gz YPEYZNKAKZTMPA-RNJOBUHISA-N 1 3 309.414 -0.543 20 0 DBADHO COCCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000582592080 337110898 /nfs/dbraw/zinc/11/08/98/337110898.db2.gz ZPVXMMUERSNPHZ-UHFFFAOYSA-N 1 3 302.419 -0.957 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000582793765 337170601 /nfs/dbraw/zinc/17/06/01/337170601.db2.gz OECFCYGCVQJTPW-CABCVRRESA-N 1 3 317.474 -0.298 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)[C@H](C)C1 ZINC000582793765 337170602 /nfs/dbraw/zinc/17/06/02/337170602.db2.gz OECFCYGCVQJTPW-CABCVRRESA-N 1 3 317.474 -0.298 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCSC1 ZINC000582916195 337217629 /nfs/dbraw/zinc/21/76/29/337217629.db2.gz SUNMUHFGBVTVDV-GXFFZTMASA-N 1 3 300.428 -0.982 20 0 DBADHO CC1CC[NH+](CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000583095496 337240427 /nfs/dbraw/zinc/24/04/27/337240427.db2.gz LERHZOUNBTVWAL-KGLIPLIRSA-N 1 3 323.441 -0.328 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000568297756 341664079 /nfs/dbraw/zinc/66/40/79/341664079.db2.gz VLFUSRLTJKYSHS-KGLIPLIRSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CCN2C1=O ZINC000574466001 341759506 /nfs/dbraw/zinc/75/95/06/341759506.db2.gz QHOUHEOSCZYCOK-POQQGIQPSA-N 1 3 306.410 -0.323 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CCN2C1=O ZINC000574651264 341764899 /nfs/dbraw/zinc/76/48/99/341764899.db2.gz DRMKHLAYBYUVBP-UPJWGTAASA-N 1 3 309.414 -0.543 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC1(CC(N)=O)CC1 ZINC000577170365 341893294 /nfs/dbraw/zinc/89/32/94/341893294.db2.gz GXCXPDASSRCDMK-UHFFFAOYSA-N 1 3 313.446 -0.223 20 0 DBADHO CC(C)[C@H](CNC(=O)C(=O)NC1CNC1)[NH+]1CCC(C)CC1 ZINC000577486823 341911977 /nfs/dbraw/zinc/91/19/77/341911977.db2.gz VNZBXENETADXSN-AWEZNQCLSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000332356017 519674403 /nfs/dbraw/zinc/67/44/03/519674403.db2.gz WJWDOBIPDRXEPW-CYBMUJFWSA-N 1 3 312.414 -0.885 20 0 DBADHO CC(C)[C@@](C)(C[NH3+])NCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000346592155 519807925 /nfs/dbraw/zinc/80/79/25/519807925.db2.gz KEGIDPTXFIIPLE-OAHLLOKOSA-N 1 3 322.413 -0.603 20 0 DBADHO CC1(CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC[NH2+]CC1 ZINC000332095335 520703371 /nfs/dbraw/zinc/70/33/71/520703371.db2.gz PGPJQYCKGUGOPA-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CCCN(C(=O)C(=O)N1CCN2CCC[C@@H]2C1)[C@H]1CC[NH2+]C1 ZINC000332113620 521413637 /nfs/dbraw/zinc/41/36/37/521413637.db2.gz HBWMQRRUAVRSPN-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(C)CCOc1ccccc1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000237188064 521805466 /nfs/dbraw/zinc/80/54/66/521805466.db2.gz SQRGMVHHLXTTQY-UONOGXRCSA-N 1 3 307.394 -0.034 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332224051 522501356 /nfs/dbraw/zinc/50/13/56/522501356.db2.gz ZDHMQKTVYVUIDH-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(C)CCn1nnnc1SCC(=O)NCCC[NH+](C)C ZINC000346622815 524056168 /nfs/dbraw/zinc/05/61/68/524056168.db2.gz VSSVNYFSLITPFP-UHFFFAOYSA-N 1 3 315.447 -0.605 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000331468457 524222731 /nfs/dbraw/zinc/22/27/31/524222731.db2.gz VPQCJXSOZWKGSM-QLFBSQMISA-N 1 3 322.453 -0.098 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[N@@H+]1C ZINC000346407304 525260762 /nfs/dbraw/zinc/26/07/62/525260762.db2.gz FIDDHMUETDRWHC-RDBSUJKOSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[N@H+]1C ZINC000346407304 525260767 /nfs/dbraw/zinc/26/07/67/525260767.db2.gz FIDDHMUETDRWHC-RDBSUJKOSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC[N@@H+]1C ZINC000332626703 525421359 /nfs/dbraw/zinc/42/13/59/525421359.db2.gz VQTGIDOOBFIMPO-MCIONIFRSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC[N@H+]1C ZINC000332626703 525421371 /nfs/dbraw/zinc/42/13/71/525421371.db2.gz VQTGIDOOBFIMPO-MCIONIFRSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000333018641 525739503 /nfs/dbraw/zinc/73/95/03/525739503.db2.gz CXAHBBQIHYCAJT-GOEBONIOSA-N 1 3 324.469 -0.320 20 0 DBADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000333018641 525739511 /nfs/dbraw/zinc/73/95/11/525739511.db2.gz CXAHBBQIHYCAJT-GOEBONIOSA-N 1 3 324.469 -0.320 20 0 DBADHO C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000333018642 525741739 /nfs/dbraw/zinc/74/17/39/525741739.db2.gz CXAHBBQIHYCAJT-HOCLYGCPSA-N 1 3 324.469 -0.320 20 0 DBADHO C[C@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000333018642 525741744 /nfs/dbraw/zinc/74/17/44/525741744.db2.gz CXAHBBQIHYCAJT-HOCLYGCPSA-N 1 3 324.469 -0.320 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@H]3CCCN3C)C[C@H]2[NH3+])cn1 ZINC000333548416 527303069 /nfs/dbraw/zinc/30/30/69/527303069.db2.gz JBSPKCXRNPGKHH-HZSPNIEDSA-N 1 3 306.414 -0.050 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCCC[NH2+]C)CC1 ZINC000418278450 528082633 /nfs/dbraw/zinc/08/26/33/528082633.db2.gz MBXPJUFPLKELAU-UHFFFAOYSA-N 1 3 313.446 -0.209 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418343024 528083324 /nfs/dbraw/zinc/08/33/24/528083324.db2.gz AKAPTKNLOAETGU-ZDUSSCGKSA-N 1 3 311.430 -0.456 20 0 DBADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000449575419 529102590 /nfs/dbraw/zinc/10/25/90/529102590.db2.gz XWJVMAJJNIOPNY-GRYWWWGRSA-N 1 3 320.437 -0.347 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1=O ZINC000342721729 535882168 /nfs/dbraw/zinc/88/21/68/535882168.db2.gz IAFRQFVHSBCXLK-YJNKXOJESA-N 1 3 322.453 -0.018 20 0 DBADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000372231460 535971665 /nfs/dbraw/zinc/97/16/65/535971665.db2.gz BBTCFGHAEFQHDC-KCQAQPDRSA-N 1 3 314.430 -0.539 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1=O ZINC000424023732 665644215 /nfs/dbraw/zinc/64/42/15/665644215.db2.gz GGEVTSLUPAJZCI-XJKSGUPXSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980398189 665757794 /nfs/dbraw/zinc/75/77/94/665757794.db2.gz VHBGBAAUVICEMJ-KBPBESRZSA-N 1 3 323.441 -0.504 20 0 DBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980398189 665757797 /nfs/dbraw/zinc/75/77/97/665757797.db2.gz VHBGBAAUVICEMJ-KBPBESRZSA-N 1 3 323.441 -0.504 20 0 DBADHO O=C(N1CC[C@@H](N[C@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC000969197239 663804290 /nfs/dbraw/zinc/80/42/90/663804290.db2.gz CDFGROJSEIVXFG-OLZOCXBDSA-N 1 3 306.410 -0.306 20 0 DBADHO C[C@H](O)CN1CC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969688446 663856910 /nfs/dbraw/zinc/85/69/10/663856910.db2.gz WIOCVLBVELZJGL-STQMWFEESA-N 1 3 323.441 -0.124 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001020588701 663869926 /nfs/dbraw/zinc/86/99/26/663869926.db2.gz JOWRQPNWAUXCOX-XUXIUFHCSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001020588631 663870175 /nfs/dbraw/zinc/87/01/75/663870175.db2.gz HOSDJFZMTIKZOC-MGPQQGTHSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001020586751 663870421 /nfs/dbraw/zinc/87/04/21/663870421.db2.gz YGNNEWFVFJWWEO-FDYHWXHSSA-N 1 3 322.409 -0.487 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 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[NH3+]CC[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000911147458 674682730 /nfs/dbraw/zinc/68/27/30/674682730.db2.gz IGDAXZKKOGVMLZ-MCIONIFRSA-N 1 3 324.425 -0.837 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019771794 665095375 /nfs/dbraw/zinc/09/53/75/665095375.db2.gz ZZYHCHSJHZPBQM-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019771794 665095376 /nfs/dbraw/zinc/09/53/76/665095376.db2.gz ZZYHCHSJHZPBQM-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC001019775845 665096188 /nfs/dbraw/zinc/09/61/88/665096188.db2.gz JGTAXLWBMUNFDF-AWEZNQCLSA-N 1 3 324.425 -0.869 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911160329 674684297 /nfs/dbraw/zinc/68/42/97/674684297.db2.gz BKJBTAOVFHOAQA-BFHYXJOUSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026040871 665120996 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C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911224515 674695460 /nfs/dbraw/zinc/69/54/60/674695460.db2.gz ZKXGQOTUVNYEHC-KWCYVHTRSA-N 1 3 308.426 -0.441 20 0 DBADHO CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000974828041 665250356 /nfs/dbraw/zinc/25/03/56/665250356.db2.gz RWXCKZTWOLHLHF-DLOXAQCQSA-N 1 3 323.437 -0.332 20 0 DBADHO CC1(C)CN(CCO)C[C@@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000974828041 665250358 /nfs/dbraw/zinc/25/03/58/665250358.db2.gz RWXCKZTWOLHLHF-DLOXAQCQSA-N 1 3 323.437 -0.332 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027091133 665269448 /nfs/dbraw/zinc/26/94/48/665269448.db2.gz FBDKOOPYTCNWJA-AAEUAGOBSA-N 1 3 305.382 -0.331 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+][C@H]2CCCNC2=O)C1 ZINC001027216960 665307209 /nfs/dbraw/zinc/30/72/09/665307209.db2.gz CGHPUERGMUIMHQ-KBPBESRZSA-N 1 3 308.426 -0.201 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC000976548811 665369326 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CN(C(=O)CN1CCCC1)C1CC([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000999838260 678747625 /nfs/dbraw/zinc/74/76/25/678747625.db2.gz VFLJDHCGFLKJOI-JXQTWKCFSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC000999833545 678752209 /nfs/dbraw/zinc/75/22/09/678752209.db2.gz MBKCHZNVGCRNFZ-BPCQOVAHSA-N 1 3 322.409 -0.534 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000999892990 678756103 /nfs/dbraw/zinc/75/61/03/678756103.db2.gz FQPUSOMCJNRMNV-JSGCOSHPSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000999892990 678756108 /nfs/dbraw/zinc/75/61/08/678756108.db2.gz FQPUSOMCJNRMNV-JSGCOSHPSA-N 1 3 308.426 -0.393 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC000999862519 678759486 /nfs/dbraw/zinc/75/94/86/678759486.db2.gz FMBLKZKDQLVAHJ-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC000999862519 678759487 /nfs/dbraw/zinc/75/94/87/678759487.db2.gz FMBLKZKDQLVAHJ-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000999866790 678760299 /nfs/dbraw/zinc/76/02/99/678760299.db2.gz ZZKQEMOTVVXROP-JSGCOSHPSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000999866790 678760303 /nfs/dbraw/zinc/76/03/03/678760303.db2.gz ZZKQEMOTVVXROP-JSGCOSHPSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000999873096 678762657 /nfs/dbraw/zinc/76/26/57/678762657.db2.gz WAAWBKGIPXUEKT-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)C1 ZINC000999873096 678762659 /nfs/dbraw/zinc/76/26/59/678762659.db2.gz WAAWBKGIPXUEKT-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000999903939 678767903 /nfs/dbraw/zinc/76/79/03/678767903.db2.gz NVCVCWSBACYWMS-WFASDCNBSA-N 1 3 322.453 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678965562 /nfs/dbraw/zinc/96/55/62/678965562.db2.gz QLFMGHMYLDQEKJ-LBPRGKRZSA-N 1 3 305.382 -0.522 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001001999282 678965837 /nfs/dbraw/zinc/96/58/37/678965837.db2.gz QLFMGHMYLDQEKJ-GFCCVEGCSA-N 1 3 305.382 -0.522 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001001999282 678965838 /nfs/dbraw/zinc/96/58/38/678965838.db2.gz QLFMGHMYLDQEKJ-GFCCVEGCSA-N 1 3 305.382 -0.522 20 0 DBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCN(C)CCOCCO ZINC000922119362 679016496 /nfs/dbraw/zinc/01/64/96/679016496.db2.gz PMAAMKSACYCOGL-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCN(C)CCOCCO ZINC000922119363 679016707 /nfs/dbraw/zinc/01/67/07/679016707.db2.gz PMAAMKSACYCOGL-OKILXGFUSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCN(C)CCOCCO ZINC000922119363 679016711 /nfs/dbraw/zinc/01/67/11/679016711.db2.gz PMAAMKSACYCOGL-OKILXGFUSA-N 1 3 301.431 -0.084 20 0 DBADHO O=C(NC1CC[NH+](CCCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001003334916 679033741 /nfs/dbraw/zinc/03/37/41/679033741.db2.gz XUPYSCKOPGJNOG-GULBITTBSA-N 1 3 323.437 -0.187 20 0 DBADHO C[C@@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)N1CCCCC1 ZINC000842014836 805579878 /nfs/dbraw/zinc/57/98/78/805579878.db2.gz FLCNCZKRFGAAGY-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1)N1CCCCC1 ZINC000842016339 805580115 /nfs/dbraw/zinc/58/01/15/805580115.db2.gz UIUNIBZKISKIMM-QWHCGFSZSA-N 1 3 312.414 -0.837 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000843326713 805618056 /nfs/dbraw/zinc/61/80/56/805618056.db2.gz QJJAQIDKPQNCJB-HNNXBMFYSA-N 1 3 306.410 -0.097 20 0 DBADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)C[C@H]1CNCCO1 ZINC000843471252 805626335 /nfs/dbraw/zinc/62/63/35/805626335.db2.gz ASAVLHQZOUUEOH-NSHDSACASA-N 1 3 306.366 -0.308 20 0 DBADHO C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000844192375 805653381 /nfs/dbraw/zinc/65/33/81/805653381.db2.gz OMMGLMVMAUXPOL-HUUCEWRRSA-N 1 3 312.458 -0.245 20 0 DBADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847311575 805791233 /nfs/dbraw/zinc/79/12/33/805791233.db2.gz GWCAETLWYOQFSR-XQLPTFJDSA-N 1 3 324.425 -0.690 20 0 DBADHO O=C(NC[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847311575 805791240 /nfs/dbraw/zinc/79/12/40/805791240.db2.gz GWCAETLWYOQFSR-XQLPTFJDSA-N 1 3 324.425 -0.690 20 0 DBADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848616933 805844802 /nfs/dbraw/zinc/84/48/02/805844802.db2.gz YTYVMDYPVMOZEC-QPSCCSFWSA-N 1 3 320.437 -0.060 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=S)NCCC[NH+](C)C ZINC000849293343 805862899 /nfs/dbraw/zinc/86/28/99/805862899.db2.gz XLFRROBBOCGURV-UHFFFAOYSA-N 1 3 317.503 -0.236 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cnn(C)n1 ZINC000854062703 806025530 /nfs/dbraw/zinc/02/55/30/806025530.db2.gz XYDOWMYRHXHOGD-LBPRGKRZSA-N 1 3 311.434 -0.114 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cnn(C)n1 ZINC000854062703 806025540 /nfs/dbraw/zinc/02/55/40/806025540.db2.gz XYDOWMYRHXHOGD-LBPRGKRZSA-N 1 3 311.434 -0.114 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1NC(=O)O[C@@H]1C ZINC000855346490 806073898 /nfs/dbraw/zinc/07/38/98/806073898.db2.gz DVXXXZRHTSFDEG-TUAOUCFPSA-N 1 3 300.403 -0.129 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1NC(=O)O[C@@H]1C ZINC000855346490 806073907 /nfs/dbraw/zinc/07/39/07/806073907.db2.gz DVXXXZRHTSFDEG-TUAOUCFPSA-N 1 3 300.403 -0.129 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC000855346487 806074500 /nfs/dbraw/zinc/07/45/00/806074500.db2.gz DVXXXZRHTSFDEG-QJPTWQEYSA-N 1 3 300.403 -0.129 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1NC(=O)O[C@@H]1C ZINC000855346487 806074508 /nfs/dbraw/zinc/07/45/08/806074508.db2.gz DVXXXZRHTSFDEG-QJPTWQEYSA-N 1 3 300.403 -0.129 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001317312924 806130470 /nfs/dbraw/zinc/13/04/70/806130470.db2.gz MPTNAJCSDLJGSR-KBPBESRZSA-N 1 3 306.414 -0.190 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCNC(=O)C2CC2)C1 ZINC001317337384 806135507 /nfs/dbraw/zinc/13/55/07/806135507.db2.gz AURMTQVLABRVQG-LBPRGKRZSA-N 1 3 319.409 -0.084 20 0 DBADHO CN(CCNCC(=O)N1CCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317656186 806218760 /nfs/dbraw/zinc/21/87/60/806218760.db2.gz WFLZYEISNSJQHR-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO CN(CCNCC(=O)N1CCCC1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317656186 806218764 /nfs/dbraw/zinc/21/87/64/806218764.db2.gz WFLZYEISNSJQHR-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO [NH3+]C1(CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC000861573685 806275941 /nfs/dbraw/zinc/27/59/41/806275941.db2.gz JPWOXKBAXDSRLU-STQMWFEESA-N 1 3 312.414 -0.343 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)C[NH2+]1 ZINC000861756251 806289367 /nfs/dbraw/zinc/28/93/67/806289367.db2.gz WDIZQMSFTULLNA-ZOBORPQBSA-N 1 3 324.425 -0.778 20 0 DBADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CCN(C)CC1 ZINC001318757791 806326252 /nfs/dbraw/zinc/32/62/52/806326252.db2.gz WCPNRNSSVBMROX-CABCVRRESA-N 1 3 311.474 -0.626 20 0 DBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000863753997 806372237 /nfs/dbraw/zinc/37/22/37/806372237.db2.gz LMNZEODOOROZEI-QWHCGFSZSA-N 1 3 314.430 -0.639 20 0 DBADHO C[NH+](C)CCCN1C(=O)C[C@H](N2C[C@@H]3COC(=O)[C@@H]3C2)C1=O ZINC000864352262 806393808 /nfs/dbraw/zinc/39/38/08/806393808.db2.gz YXLOJFDSUJRPQR-UTUOFQBUSA-N 1 3 309.366 -0.830 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001321222848 806590383 /nfs/dbraw/zinc/59/03/83/806590383.db2.gz MICBVOZETJBSRI-QRGHLMKCSA-N 1 3 313.402 -0.956 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)C1 ZINC001321251013 806595203 /nfs/dbraw/zinc/59/52/03/806595203.db2.gz PLVLAYOWRFRRHH-JHZNUDOXSA-N 1 3 308.426 -0.179 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CN[C@@H]2CCN(C)C2=O)C1 ZINC001321251013 806595207 /nfs/dbraw/zinc/59/52/07/806595207.db2.gz PLVLAYOWRFRRHH-JHZNUDOXSA-N 1 3 308.426 -0.179 20 0 DBADHO NC(C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(F)(F)F ZINC000870998423 806615941 /nfs/dbraw/zinc/61/59/41/806615941.db2.gz XGXBDYHQDKTTPG-LURQLKTLSA-N 1 3 322.287 -0.731 20 0 DBADHO CC(C)C[C@@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004931 806616815 /nfs/dbraw/zinc/61/68/15/806616815.db2.gz QKXYOUPPQBNPGC-LPWJVIDDSA-N 1 3 310.398 -0.247 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872192400 806649921 /nfs/dbraw/zinc/64/99/21/806649921.db2.gz VNRYZAWKGACWAD-XJKSGUPXSA-N 1 3 310.442 -0.147 20 0 DBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000875236900 806739741 /nfs/dbraw/zinc/73/97/41/806739741.db2.gz GKLYAAQOOFDRPF-MELADBBJSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000875236900 806739745 /nfs/dbraw/zinc/73/97/45/806739745.db2.gz GKLYAAQOOFDRPF-MELADBBJSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000875236902 806740175 /nfs/dbraw/zinc/74/01/75/806740175.db2.gz GKLYAAQOOFDRPF-MJBXVCDLSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000875236902 806740178 /nfs/dbraw/zinc/74/01/78/806740178.db2.gz GKLYAAQOOFDRPF-MJBXVCDLSA-N 1 3 312.414 -0.785 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CC12CCC2 ZINC000875862962 806768719 /nfs/dbraw/zinc/76/87/19/806768719.db2.gz JJPNIBYIXKPFJV-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876965297 806816473 /nfs/dbraw/zinc/81/64/73/806816473.db2.gz GHSQAKASYHWURB-ONGXEEELSA-N 1 3 306.357 -0.695 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1=O ZINC000877392542 806836717 /nfs/dbraw/zinc/83/67/17/806836717.db2.gz SGHVPGCVZFIVLE-IOASZLSFSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](CNS(=O)(=O)N1CCNCC1)C[NH+]1CCCCC1 ZINC000040862213 803761643 /nfs/dbraw/zinc/76/16/43/803761643.db2.gz LVMGSLGGKIDACD-ZDUSSCGKSA-N 1 3 304.460 -0.152 20 0 DBADHO CCCC[NH+]1CCC(NS(=O)(=O)N2CCNCC2)CC1 ZINC000040861318 803761769 /nfs/dbraw/zinc/76/17/69/803761769.db2.gz PYLRJBMXFWBGBP-UHFFFAOYSA-N 1 3 304.460 -0.010 20 0 DBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001278165668 803762084 /nfs/dbraw/zinc/76/20/84/803762084.db2.gz YQRZRZFFTUXEJK-KBPBESRZSA-N 1 3 301.431 -0.302 20 0 DBADHO C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCN1CCOCC1 ZINC000771659075 804379900 /nfs/dbraw/zinc/37/99/00/804379900.db2.gz YTRWUUWESJVJIP-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000774851778 804431490 /nfs/dbraw/zinc/43/14/90/804431490.db2.gz CBVDNTODMFKGMK-KGLIPLIRSA-N 1 3 324.425 -0.824 20 0 DBADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000774851780 804431770 /nfs/dbraw/zinc/43/17/70/804431770.db2.gz CBVDNTODMFKGMK-UONOGXRCSA-N 1 3 324.425 -0.824 20 0 DBADHO O=C(CN1CCCC1)NC/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001285558050 804916471 /nfs/dbraw/zinc/91/64/71/804916471.db2.gz OIJFVSPCEHUKCS-UPHRSURJSA-N 1 3 320.437 -0.033 20 0 DBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCCOC)C1)N(C)C ZINC001325125596 807037177 /nfs/dbraw/zinc/03/71/77/807037177.db2.gz FJJWWAGVMJIANW-DZGCQCFKSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCOC)C1)N(C)C ZINC001325125596 807037185 /nfs/dbraw/zinc/03/71/85/807037185.db2.gz FJJWWAGVMJIANW-DZGCQCFKSA-N 1 3 301.431 -0.084 20 0 DBADHO COCC[C@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280085 807042826 /nfs/dbraw/zinc/04/28/26/807042826.db2.gz AYUMEUBOIBVLFR-UWVGGRQHSA-N 1 3 312.336 -0.698 20 0 DBADHO O=C(NC[C@H]1CNCCO1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884339426 807046654 /nfs/dbraw/zinc/04/66/54/807046654.db2.gz MVKDEGXDJGBANZ-CYBMUJFWSA-N 1 3 305.382 -0.791 20 0 DBADHO CC1(C)C[NH2+]C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884210813 807040524 /nfs/dbraw/zinc/04/05/24/807040524.db2.gz KHBDONILTKOBKY-CQSZACIVSA-N 1 3 322.453 -0.001 20 0 DBADHO CC(C)([NH3+])CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000884560432 807056638 /nfs/dbraw/zinc/05/66/38/807056638.db2.gz XJUONEDOXDLNKA-RYUDHWBXSA-N 1 3 312.414 -0.791 20 0 DBADHO CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000884559900 807056843 /nfs/dbraw/zinc/05/68/43/807056843.db2.gz IKBKDZLLLCJFSM-HZSPNIEDSA-N 1 3 324.425 -0.824 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884587596 807058985 /nfs/dbraw/zinc/05/89/85/807058985.db2.gz MGCHIUCQXYHMOO-BETUJISGSA-N 1 3 312.414 -0.966 20 0 DBADHO CCN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000884631340 807062524 /nfs/dbraw/zinc/06/25/24/807062524.db2.gz HERBEFAMDNWLOW-UONOGXRCSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001325345054 807063411 /nfs/dbraw/zinc/06/34/11/807063411.db2.gz AWFOPRNXGKDHOB-RWMBFGLXSA-N 1 3 312.414 -0.920 20 0 DBADHO CN1CCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCO2)CCC1(C)C ZINC000884725540 807074718 /nfs/dbraw/zinc/07/47/18/807074718.db2.gz NSSGILKQYAQCTI-GFCCVEGCSA-N 1 3 312.414 -0.966 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1 ZINC000884787358 807076839 /nfs/dbraw/zinc/07/68/39/807076839.db2.gz OUZJYSOKCADDSN-IHRRRGAJSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](F)C1 ZINC001325696901 807092225 /nfs/dbraw/zinc/09/22/25/807092225.db2.gz BQUGLKNQLJJYCO-GFCCVEGCSA-N 1 3 302.394 -0.491 20 0 DBADHO O=C(NC[C@H]1CCN1C1CCOCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000885876034 807110156 /nfs/dbraw/zinc/11/01/56/807110156.db2.gz NFDQHTAYRANMLV-CVEARBPZSA-N 1 3 322.453 -0.254 20 0 DBADHO O=C(NC[C@H]1CCN1C1CCOCC1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000885876034 807110162 /nfs/dbraw/zinc/11/01/62/807110162.db2.gz NFDQHTAYRANMLV-CVEARBPZSA-N 1 3 322.453 -0.254 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H](F)C1 ZINC001326500438 807187571 /nfs/dbraw/zinc/18/75/71/807187571.db2.gz CGYXNQBBCQRRHW-CYBMUJFWSA-N 1 3 316.421 -0.101 20 0 DBADHO C[C@]1(C2CCN(CCN3CC[NH2+]CC3)CC2)NC(=O)NC1=O ZINC001326583921 807194922 /nfs/dbraw/zinc/19/49/22/807194922.db2.gz POYHGUDANQIUBQ-OAHLLOKOSA-N 1 3 309.414 -0.798 20 0 DBADHO COC(C)(C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001326770902 807209691 /nfs/dbraw/zinc/20/96/91/807209691.db2.gz RRQKIKPCSRZBAW-UHFFFAOYSA-N 1 3 316.446 -0.521 20 0 DBADHO C[C@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001327036385 807235471 /nfs/dbraw/zinc/23/54/71/807235471.db2.gz VZNVGXAWIHTNAP-GXTWGEPZSA-N 1 3 310.398 -0.070 20 0 DBADHO CN1CCN(CCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899991422 807279234 /nfs/dbraw/zinc/27/92/34/807279234.db2.gz MFKFPDSJRWVNPA-MRXNPFEDSA-N 1 3 312.458 -0.413 20 0 DBADHO CN1CCN(CCCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000899991422 807279236 /nfs/dbraw/zinc/27/92/36/807279236.db2.gz MFKFPDSJRWVNPA-MRXNPFEDSA-N 1 3 312.458 -0.413 20 0 DBADHO COCCOC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC001327979361 807363907 /nfs/dbraw/zinc/36/39/07/807363907.db2.gz VXZGUWZOVBLRMB-OAGGEKHMSA-N 1 3 316.442 -0.022 20 0 DBADHO COCCOC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC001327979365 807364306 /nfs/dbraw/zinc/36/43/06/807364306.db2.gz VXZGUWZOVBLRMB-PMPSAXMXSA-N 1 3 316.442 -0.022 20 0 DBADHO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000903442268 807389485 /nfs/dbraw/zinc/38/94/85/807389485.db2.gz NBXCNUAAPASEFA-LSDHHAIUSA-N 1 3 310.442 -0.410 20 0 DBADHO Cn1nnnc1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903506799 807392070 /nfs/dbraw/zinc/39/20/70/807392070.db2.gz ZRLBVCWBDIIALE-OKILXGFUSA-N 1 3 305.430 -0.347 20 0 DBADHO Cn1nnnc1CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903506799 807392078 /nfs/dbraw/zinc/39/20/78/807392078.db2.gz ZRLBVCWBDIIALE-OKILXGFUSA-N 1 3 305.430 -0.347 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903718986 807403945 /nfs/dbraw/zinc/40/39/45/807403945.db2.gz GIXSVWMBARYBOM-NXEZZACHSA-N 1 3 324.347 -0.256 20 0 DBADHO OCCN(CCN1CCOCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903735798 807406055 /nfs/dbraw/zinc/40/60/55/807406055.db2.gz DRRVCAIFDHHVLX-CVEARBPZSA-N 1 3 313.442 -0.619 20 0 DBADHO [NH3+]C[C@H]1CC2(CO1)CCN(CCN1CCCS1(=O)=O)CC2 ZINC000903786352 807414131 /nfs/dbraw/zinc/41/41/31/807414131.db2.gz HOEWEARUKSSFDH-CYBMUJFWSA-N 1 3 317.455 -0.148 20 0 DBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)C1 ZINC000904468388 807425781 /nfs/dbraw/zinc/42/57/81/807425781.db2.gz BDMYEYJSVOGJMD-XEZPLFJOSA-N 1 3 308.426 -0.229 20 0 DBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)C1 ZINC000904468388 807425784 /nfs/dbraw/zinc/42/57/84/807425784.db2.gz BDMYEYJSVOGJMD-XEZPLFJOSA-N 1 3 308.426 -0.229 20 0 DBADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)C2(O)CCOCC2)CCCO1 ZINC000905229953 807450218 /nfs/dbraw/zinc/45/02/18/807450218.db2.gz DJJNQCAFGWXYKS-LSDHHAIUSA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)C2(O)CCOCC2)CCCO1 ZINC000905229953 807450222 /nfs/dbraw/zinc/45/02/22/807450222.db2.gz DJJNQCAFGWXYKS-LSDHHAIUSA-N 1 3 316.442 -0.021 20 0 DBADHO CCOC(=O)N1C[C@H]([NH2+]C[C@H](O)CN2CCCC2)[C@@H](CO)C1 ZINC000905701488 807466987 /nfs/dbraw/zinc/46/69/87/807466987.db2.gz DYMSZWDTLQWRFH-RDBSUJKOSA-N 1 3 315.414 -0.518 20 0 DBADHO CN1CC[N@H+](C)CC(C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000906888804 807503500 /nfs/dbraw/zinc/50/35/00/807503500.db2.gz ITXLOEDGSVMXQO-UHFFFAOYSA-N 1 3 324.469 -0.197 20 0 DBADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN(C3CCOCC3)CC2)C1 ZINC000906888804 807503506 /nfs/dbraw/zinc/50/35/06/807503506.db2.gz ITXLOEDGSVMXQO-UHFFFAOYSA-N 1 3 324.469 -0.197 20 0 DBADHO CN1CC[N@H+](C)CC(C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000906918551 807504765 /nfs/dbraw/zinc/50/47/65/807504765.db2.gz VJXQNVRUWZERRZ-OAHLLOKOSA-N 1 3 324.469 -0.340 20 0 DBADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN(C[C@H]3CCOC3)CC2)C1 ZINC000906918551 807504770 /nfs/dbraw/zinc/50/47/70/807504770.db2.gz VJXQNVRUWZERRZ-OAHLLOKOSA-N 1 3 324.469 -0.340 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC000908200988 807579659 /nfs/dbraw/zinc/57/96/59/807579659.db2.gz KUVZDEHXNCERJL-HOTGVXAUSA-N 1 3 323.437 -0.235 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COCO1 ZINC000923201948 807652680 /nfs/dbraw/zinc/65/26/80/807652680.db2.gz WVEVRFFQESRBQD-QWHCGFSZSA-N 1 3 302.419 -0.070 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COCO1 ZINC000923201948 807652685 /nfs/dbraw/zinc/65/26/85/807652685.db2.gz WVEVRFFQESRBQD-QWHCGFSZSA-N 1 3 302.419 -0.070 20 0 DBADHO CCn1nc2c(cc1=O)CN(C[C@@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923315186 807658454 /nfs/dbraw/zinc/65/84/54/807658454.db2.gz RANHBSAFRZDJHK-ZDUSSCGKSA-N 1 3 304.394 0.000 20 0 DBADHO CN1CC(=O)N(CCN2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1=O ZINC000923376805 807662931 /nfs/dbraw/zinc/66/29/31/807662931.db2.gz AJEMDDDIRFAEHK-OLZOCXBDSA-N 1 3 322.409 -0.419 20 0 DBADHO CCOC[C@@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923398981 807664212 /nfs/dbraw/zinc/66/42/12/807664212.db2.gz NAKTYISIJPCXTC-MJBXVCDLSA-N 1 3 313.398 -0.359 20 0 DBADHO CN(C)S(=O)(=O)CCN1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447017 807669570 /nfs/dbraw/zinc/66/95/70/807669570.db2.gz OXZCOTRTTCXAPN-LBPRGKRZSA-N 1 3 305.444 -0.292 20 0 DBADHO C[C@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC[C@H]1C[NH3+] ZINC000923498663 807674710 /nfs/dbraw/zinc/67/47/10/807674710.db2.gz KNMUOULJBMLCDU-ZFWWWQNUSA-N 1 3 322.453 -0.016 20 0 DBADHO CCC[N@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923622616 807690853 /nfs/dbraw/zinc/69/08/53/807690853.db2.gz MQINWGCCYDRFDQ-CYBMUJFWSA-N 1 3 304.460 -0.200 20 0 DBADHO CCC[N@@H+](C)C[C@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923622616 807690858 /nfs/dbraw/zinc/69/08/58/807690858.db2.gz MQINWGCCYDRFDQ-CYBMUJFWSA-N 1 3 304.460 -0.200 20 0 DBADHO [NH3+]CCN(CCc1ccccc1)S(=O)(=O)N1CCNCC1 ZINC000923642651 807695106 /nfs/dbraw/zinc/69/51/06/807695106.db2.gz GTJXZNVMEGSFSK-UHFFFAOYSA-N 1 3 312.439 -0.360 20 0 DBADHO [NH3+][C@@H]1CCO[C@@H](C2CCN(S(=O)(=O)C3CNC3)CC2)C1 ZINC000923646469 807695137 /nfs/dbraw/zinc/69/51/37/807695137.db2.gz KIYIYEYCNWFKGZ-DGCLKSJQSA-N 1 3 303.428 -0.494 20 0 DBADHO C[C@H]1CC2(CN1S(=O)(=O)N1CCNCC1)CC[NH2+]CC2 ZINC000923650080 807696265 /nfs/dbraw/zinc/69/62/65/807696265.db2.gz IXMCXMUJGVSQNT-LBPRGKRZSA-N 1 3 302.444 -0.400 20 0 DBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)C2CNC2)CC[C@H]1C(F)(F)F ZINC000923660736 807698289 /nfs/dbraw/zinc/69/82/89/807698289.db2.gz CSQWMYYPZNQATL-VXNVDRBHSA-N 1 3 301.334 -0.253 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC[N@@H+]1C ZINC000925357322 807736863 /nfs/dbraw/zinc/73/68/63/807736863.db2.gz VRUSSWHQYGTABW-FRRDWIJNSA-N 1 3 311.430 -0.160 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)CC[N@H+]1C ZINC000925357322 807736867 /nfs/dbraw/zinc/73/68/67/807736867.db2.gz VRUSSWHQYGTABW-FRRDWIJNSA-N 1 3 311.430 -0.160 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CC[C@H]1C[NH3+] ZINC000926327719 807759724 /nfs/dbraw/zinc/75/97/24/807759724.db2.gz IBKDNBWQQHYTDX-KBPBESRZSA-N 1 3 310.442 -0.016 20 0 DBADHO O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[C@H](N2CCCC2)C1 ZINC000926326953 807759781 /nfs/dbraw/zinc/75/97/81/807759781.db2.gz RJNHBELQLVCIGX-ZNMIVQPWSA-N 1 3 320.437 -0.249 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926360541 807765102 /nfs/dbraw/zinc/76/51/02/807765102.db2.gz DFBHUCKUCAHMRL-OAHLLOKOSA-N 1 3 314.430 -0.903 20 0 DBADHO CCO[C@@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)C[NH+](C)C ZINC000926833731 807778182 /nfs/dbraw/zinc/77/81/82/807778182.db2.gz CEYHWWUMQVPHOJ-UONOGXRCSA-N 1 3 316.446 -0.075 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001331950998 807855112 /nfs/dbraw/zinc/85/51/12/807855112.db2.gz WPFCPUJHJAQKBV-NSHDSACASA-N 1 3 300.403 -0.933 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)C[C@@H]21 ZINC001332132349 807876391 /nfs/dbraw/zinc/87/63/91/807876391.db2.gz UAYDDWMDAUMIKS-SYQHCUMBSA-N 1 3 306.410 -0.498 20 0 DBADHO C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCOCCO ZINC001332198957 807883426 /nfs/dbraw/zinc/88/34/26/807883426.db2.gz MMPOUTXTXHBWET-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCOCCO ZINC001332198954 807883509 /nfs/dbraw/zinc/88/35/09/807883509.db2.gz MMPOUTXTXHBWET-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO COCCN1CCC(NC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001332498795 807927964 /nfs/dbraw/zinc/92/79/64/807927964.db2.gz AUIOMDHZUWKQAT-UHFFFAOYSA-N 1 3 324.429 -0.142 20 0 DBADHO CN(C)Cc1cccc(C(=O)N(C)C[C@H](O)C[NH2+]CCO)c1 ZINC001332605691 807948529 /nfs/dbraw/zinc/94/85/29/807948529.db2.gz KLLOPEZLRQPOCC-OAHLLOKOSA-N 1 3 309.410 -0.237 20 0 DBADHO CN(C)S(=O)(=O)NCCNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001332982287 808002963 /nfs/dbraw/zinc/00/29/63/808002963.db2.gz AZJFXUBCPKIXAX-ZDUSSCGKSA-N 1 3 320.459 -0.775 20 0 DBADHO CN1CCN(C(=O)CCN2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000933993057 808017445 /nfs/dbraw/zinc/01/74/45/808017445.db2.gz UXRDXZSZHMBDAD-UHFFFAOYSA-N 1 3 311.474 -0.670 20 0 DBADHO CN1CCN(C(=O)CCN2CCN(C)CC[N@@H+](C)CC2)CC1 ZINC000933993057 808017450 /nfs/dbraw/zinc/01/74/50/808017450.db2.gz UXRDXZSZHMBDAD-UHFFFAOYSA-N 1 3 311.474 -0.670 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001333543834 808074161 /nfs/dbraw/zinc/07/41/61/808074161.db2.gz SVIRRFHPJUCPHA-KGLIPLIRSA-N 1 3 324.425 -0.776 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@H]3CN(CC(N)=O)C[C@H]3CC2)CC1 ZINC000946758450 808135525 /nfs/dbraw/zinc/13/55/25/808135525.db2.gz KWEAVMAXFUYIBW-GASCZTMLSA-N 1 3 322.453 -0.016 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946779061 808136770 /nfs/dbraw/zinc/13/67/70/808136770.db2.gz FFJJATRQHRXUNA-KFWWJZLASA-N 1 3 322.453 -0.016 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]3C[N@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946779061 808136776 /nfs/dbraw/zinc/13/67/76/808136776.db2.gz FFJJATRQHRXUNA-KFWWJZLASA-N 1 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ZINC001336644689 808404867 /nfs/dbraw/zinc/40/48/67/808404867.db2.gz IPBFWFIBOQYOBS-SCRDCRAPSA-N 1 3 308.426 -0.003 20 0 DBADHO O=C(C[NH+]1CCC(CO)CC1)NCCCCN1CCOCC1 ZINC001337094342 808436203 /nfs/dbraw/zinc/43/62/03/808436203.db2.gz SMIAYPOATJSZJA-UHFFFAOYSA-N 1 3 313.442 -0.081 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001340115003 808622171 /nfs/dbraw/zinc/62/21/71/808622171.db2.gz ZMNZSLMWNLCKCM-ZIAGYGMSSA-N 1 3 300.447 -0.653 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000954319085 809214578 /nfs/dbraw/zinc/21/45/78/809214578.db2.gz GNOOGZWVYHOEMF-HIFRSBDPSA-N 1 3 322.453 -0.053 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC000954319085 809214581 /nfs/dbraw/zinc/21/45/81/809214581.db2.gz GNOOGZWVYHOEMF-HIFRSBDPSA-N 1 3 322.453 -0.053 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000954408211 809231926 /nfs/dbraw/zinc/23/19/26/809231926.db2.gz AEHQEUBYUSXMIF-BXUZGUMPSA-N 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ZINC000965063150 810824758 /nfs/dbraw/zinc/82/47/58/810824758.db2.gz KNFLWHGGKKHTLG-KWDKGFIESA-N 1 3 308.426 -0.027 20 0 DBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)C1CC1 ZINC000968912638 811513736 /nfs/dbraw/zinc/51/37/36/811513736.db2.gz NHYWLTZIZJRQCL-ZIAGYGMSSA-N 1 3 306.414 -0.191 20 0 DBADHO CN(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000968912361 811514121 /nfs/dbraw/zinc/51/41/21/811514121.db2.gz FOKVDQZERXRQJS-KGLIPLIRSA-N 1 3 323.441 -0.458 20 0 DBADHO CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CCN(CCO)CC1 ZINC001005410480 812067475 /nfs/dbraw/zinc/06/74/75/812067475.db2.gz QQTDXDCVZCWMQA-UHFFFAOYSA-N 1 3 323.441 -0.027 20 0 DBADHO O=C(N[C@@H]1CCN(CCCO)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001015325541 813407942 /nfs/dbraw/zinc/40/79/42/813407942.db2.gz UBSYIEWSZQVGCX-MYMJJRTCSA-N 1 3 309.410 -0.578 20 0 DBADHO O=C(N[C@@H]1CCN(CCCO)C1)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001015325541 813407947 /nfs/dbraw/zinc/40/79/47/813407947.db2.gz UBSYIEWSZQVGCX-MYMJJRTCSA-N 1 3 309.410 -0.578 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC001018617406 813938180 /nfs/dbraw/zinc/93/81/80/813938180.db2.gz UDSNZCDPNMEBJT-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001018971454 814034199 /nfs/dbraw/zinc/03/41/99/814034199.db2.gz BBVIGFNMVXKFNJ-JSGCOSHPSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H](N[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC001019030754 814052573 /nfs/dbraw/zinc/05/25/73/814052573.db2.gz SBRJGRXEIWAMLR-OLZOCXBDSA-N 1 3 308.426 -0.073 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001019034553 814054033 /nfs/dbraw/zinc/05/40/33/814054033.db2.gz HBPPHUJHDUOSLJ-QWHCGFSZSA-N 1 3 324.425 -0.334 20 0 DBADHO CC(C)(C(=O)N1CC[C@H](N[C@@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC001019229962 814096166 /nfs/dbraw/zinc/09/61/66/814096166.db2.gz ISFSLHKOJZOEIB-QWHCGFSZSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001019241586 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/nfs/dbraw/zinc/71/90/82/825719082.db2.gz BOYLQOIGRQLVNF-KGLIPLIRSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001115303419 828825900 /nfs/dbraw/zinc/82/59/00/828825900.db2.gz CNVBUJLCVDQUGN-COMQUAJESA-N 1 3 308.426 -0.348 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001115303419 828825905 /nfs/dbraw/zinc/82/59/05/828825905.db2.gz CNVBUJLCVDQUGN-COMQUAJESA-N 1 3 308.426 -0.348 20 0 DBADHO CN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]1CCC2(C1)OCCO2 ZINC001161218084 832991931 /nfs/dbraw/zinc/99/19/31/832991931.db2.gz HDYKXQBSSDEEPH-MNOVXSKESA-N 1 3 303.428 -0.240 20 0 DBADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161239249 832994897 /nfs/dbraw/zinc/99/48/97/832994897.db2.gz YNEYRTXFDDNJFZ-CHWSQXEVSA-N 1 3 324.425 -0.824 20 0 DBADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161239249 832994904 /nfs/dbraw/zinc/99/49/04/832994904.db2.gz YNEYRTXFDDNJFZ-CHWSQXEVSA-N 1 3 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833021491 /nfs/dbraw/zinc/02/14/91/833021491.db2.gz MQLARZQBKOTADQ-CHWSQXEVSA-N 1 3 309.410 -0.013 20 0 DBADHO CNC(=O)CN1CCC[C@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274073822 833022643 /nfs/dbraw/zinc/02/26/43/833022643.db2.gz PDUFNUVPYOBTNB-MRXNPFEDSA-N 1 3 310.442 -0.001 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)Cc1c[nH]cn1)CC2 ZINC001161479606 833023244 /nfs/dbraw/zinc/02/32/44/833023244.db2.gz PUZHKVBNKVAPLB-HUBLWGQQSA-N 1 3 321.381 -0.967 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)CC[C@@H]21 ZINC001161484525 833024793 /nfs/dbraw/zinc/02/47/93/833024793.db2.gz WMNXMFTVFZPKAY-VNHYZAJKSA-N 1 3 308.426 -0.217 20 0 DBADHO COc1cc2c(cn1)CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001161527408 833032652 /nfs/dbraw/zinc/03/26/52/833032652.db2.gz PDEUHDIMEDZBMO-CYBMUJFWSA-N 1 3 302.378 -0.216 20 0 DBADHO COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001161570891 833036737 /nfs/dbraw/zinc/03/67/37/833036737.db2.gz LTMHPZWNVOJEAG-MNOVXSKESA-N 1 3 319.427 -0.814 20 0 DBADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001161602446 833040479 /nfs/dbraw/zinc/04/04/79/833040479.db2.gz ZXSXDCSDYPSXJX-SNVBAGLBSA-N 1 3 309.370 -0.495 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098478907 826490227 /nfs/dbraw/zinc/49/02/27/826490227.db2.gz JFBWKDCMYHEXDO-CQSZACIVSA-N 1 3 313.442 -0.252 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CCC(N(CCO)CCF)CC1 ZINC001098533057 826497360 /nfs/dbraw/zinc/49/73/60/826497360.db2.gz QKSVCDQEDFHHTQ-UHFFFAOYSA-N 1 3 319.421 -0.181 20 0 DBADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)C[C@H](C)O)CC1 ZINC001098540672 826497965 /nfs/dbraw/zinc/49/79/65/826497965.db2.gz ULXVYNJSOMDUDN-AWEZNQCLSA-N 1 3 315.458 -0.006 20 0 DBADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)C[C@H](C)O)CC1 ZINC001098540672 826497967 /nfs/dbraw/zinc/49/79/67/826497967.db2.gz ULXVYNJSOMDUDN-AWEZNQCLSA-N 1 3 315.458 -0.006 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCC(O)(C[NH2+]CCCO)CC1)N(C)C ZINC001274571909 833103565 /nfs/dbraw/zinc/10/35/65/833103565.db2.gz HSIFXBUDKZSAJV-AWEZNQCLSA-N 1 3 315.458 -0.102 20 0 DBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CCN(CCCF)C[C@@H]1O ZINC001100077162 826829092 /nfs/dbraw/zinc/82/90/92/826829092.db2.gz YEGHVPGQWRXBIM-OLZOCXBDSA-N 1 3 305.394 -0.524 20 0 DBADHO COCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100132694 826882527 /nfs/dbraw/zinc/88/25/27/826882527.db2.gz XNIDPKCLSQCXFK-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO COCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100132694 826882540 /nfs/dbraw/zinc/88/25/40/826882540.db2.gz XNIDPKCLSQCXFK-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO COCCC[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162849450 833120975 /nfs/dbraw/zinc/12/09/75/833120975.db2.gz DKRKZJOEZGVBLP-BBBYJDLNSA-N 1 3 311.426 -0.018 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872629 833121822 /nfs/dbraw/zinc/12/18/22/833121822.db2.gz YQOLMWGHLLLWLH-AJAZOQAWSA-N 1 3 324.425 -0.920 20 0 DBADHO COC[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872020 833121910 /nfs/dbraw/zinc/12/19/10/833121910.db2.gz DFNGKCLGSHGRRB-REWIBIJMSA-N 1 3 311.426 -0.020 20 0 DBADHO O=C(NCCC[NH2+]C[C@H]1CCOC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872440 833122099 /nfs/dbraw/zinc/12/20/99/833122099.db2.gz RZIKUEOKJABXDP-GJEMEMOUSA-N 1 3 323.437 -0.018 20 0 DBADHO CO[C@H](C)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162871986 833122194 /nfs/dbraw/zinc/12/21/94/833122194.db2.gz CJNTVICTVFKJBD-RXFTYZNJSA-N 1 3 311.426 -0.020 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100377630 826951328 /nfs/dbraw/zinc/95/13/28/826951328.db2.gz GVQVIBIPKBRZLS-HTAVTVPLSA-N 1 3 302.394 -0.364 20 0 DBADHO CN(C)[C@H](C(=O)NCC1CC([NH2+]CCOCCO)C1)C1CC1 ZINC001100407550 826959813 /nfs/dbraw/zinc/95/98/13/826959813.db2.gz ANDRWIFVQDPNMV-ZALBZXLWSA-N 1 3 313.442 -0.180 20 0 DBADHO CC[N@H+](C)CCC(=O)NCC1CC(NCCS(C)(=O)=O)C1 ZINC001100829686 827030694 /nfs/dbraw/zinc/03/06/94/827030694.db2.gz GZYODULKFUXYDW-UHFFFAOYSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCC1CC(NCCS(C)(=O)=O)C1 ZINC001100829686 827030707 /nfs/dbraw/zinc/03/07/07/827030707.db2.gz GZYODULKFUXYDW-UHFFFAOYSA-N 1 3 319.471 -0.143 20 0 DBADHO O=C1C[C@H]2[NH2+]CC[C@]2(Nc2cnccc2N2CCOCC2)N1 ZINC001163248357 833142234 /nfs/dbraw/zinc/14/22/34/833142234.db2.gz HEZAKASOWRACDY-HIFRSBDPSA-N 1 3 303.366 -0.092 20 0 DBADHO COC[C@@H](O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101035957 827065017 /nfs/dbraw/zinc/06/50/17/827065017.db2.gz GAZZUBMESPMSTH-RUXDESIVSA-N 1 3 301.431 -0.182 20 0 DBADHO COC[C@H](O)C[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375295 827102438 /nfs/dbraw/zinc/10/24/38/827102438.db2.gz LNNGAIZVMDGOLW-XPKDYRNWSA-N 1 3 322.409 -0.260 20 0 DBADHO COC[C@H](O)C[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@]2(C)C1 ZINC001101375295 827102440 /nfs/dbraw/zinc/10/24/40/827102440.db2.gz LNNGAIZVMDGOLW-XPKDYRNWSA-N 1 3 322.409 -0.260 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101400356 827104650 /nfs/dbraw/zinc/10/46/50/827104650.db2.gz SOWBAZLANBAAOL-CPUCHLNUSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101400356 827104653 /nfs/dbraw/zinc/10/46/53/827104653.db2.gz SOWBAZLANBAAOL-CPUCHLNUSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)CCN1CCO[C@@]2(CCCN(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001275188259 833157542 /nfs/dbraw/zinc/15/75/42/833157542.db2.gz NOSGTXBAKVSZEX-RDJZCZTQSA-N 1 3 324.469 -0.007 20 0 DBADHO CN(c1ccc2c([C@H]3CCC[NH2+]3)nnn2c1)S(=O)(=O)CCN ZINC001164297211 833203199 /nfs/dbraw/zinc/20/31/99/833203199.db2.gz XUMGRULKOZCOKD-LLVKDONJSA-N 1 3 324.410 -0.122 20 0 DBADHO CN(c1ccc(O[C@@H]2CCC[NH2+]C2)nn1)S(=O)(=O)CCN ZINC001164292227 833201385 /nfs/dbraw/zinc/20/13/85/833201385.db2.gz HIUSHCDSKMKLFS-SNVBAGLBSA-N 1 3 315.399 -0.668 20 0 DBADHO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCCNCc2cnon2)C1 ZINC001164536548 833217869 /nfs/dbraw/zinc/21/78/69/833217869.db2.gz UVRRNDHECRISLJ-ZDUSSCGKSA-N 1 3 311.386 -0.225 20 0 DBADHO CC(C)[N@H+]1CCO[C@H](C(=O)NCCCNCc2cnon2)C1 ZINC001164536548 833217877 /nfs/dbraw/zinc/21/78/77/833217877.db2.gz UVRRNDHECRISLJ-ZDUSSCGKSA-N 1 3 311.386 -0.225 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1C ZINC001106249161 827646243 /nfs/dbraw/zinc/64/62/43/827646243.db2.gz AZZQIRUOWQBUGZ-UXIGCNINSA-N 1 3 310.442 -0.243 20 0 DBADHO c1cc(N2CC[C@@H]3NCCO[C@H]3C2)nnc1N1CC[NH2+]CC1 ZINC001165269105 833233610 /nfs/dbraw/zinc/23/36/10/833233610.db2.gz DQLJASFVGKWRSN-STQMWFEESA-N 1 3 304.398 -0.547 20 0 DBADHO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001165485512 833250338 /nfs/dbraw/zinc/25/03/38/833250338.db2.gz YDJFHNSCZMEEHI-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(NCCC1(C[NH2+]CCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001166249080 833268249 /nfs/dbraw/zinc/26/82/49/833268249.db2.gz DFEQZZGWWBUBHF-UUCFBXCCSA-N 1 3 323.437 -0.282 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@H]1C ZINC001166634444 833276504 /nfs/dbraw/zinc/27/65/04/833276504.db2.gz SBOHAMJUURYKAQ-LLVKDONJSA-N 1 3 313.402 -0.978 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001166644363 833277220 /nfs/dbraw/zinc/27/72/20/833277220.db2.gz APNHWJWUQFSCQY-GJZGRUSLSA-N 1 3 323.441 -0.176 20 0 DBADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@H](C)C1)C(=O)NC(N)=O ZINC001166677317 833277710 /nfs/dbraw/zinc/27/77/10/833277710.db2.gz HPIURQZLUIBFTH-QWRGUYRKSA-N 1 3 313.402 -0.993 20 0 DBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001166677314 833277799 /nfs/dbraw/zinc/27/77/99/833277799.db2.gz HPIURQZLUIBFTH-GHMZBOCLSA-N 1 3 313.402 -0.993 20 0 DBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166858746 833283882 /nfs/dbraw/zinc/28/38/82/833283882.db2.gz ZNWNRDSETJEICN-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H](CC)N(C)C ZINC001166858716 833283902 /nfs/dbraw/zinc/28/39/02/833283902.db2.gz YJWYKPPJWACKTH-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]CCNS(=O)(=O)CC)N(C)C ZINC001166852900 833283921 /nfs/dbraw/zinc/28/39/21/833283921.db2.gz YDXNIXNZZWYIAM-LBPRGKRZSA-N 1 3 322.475 -0.638 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)N(C)C ZINC001166851833 833283982 /nfs/dbraw/zinc/28/39/82/833283982.db2.gz HYHAVNJDKMQUES-KGLIPLIRSA-N 1 3 311.430 -0.320 20 0 DBADHO CNC(=O)C[NH2+]CC1(CCNC(=O)CN2CC[C@H](C)C2)CC1 ZINC001167232453 833293510 /nfs/dbraw/zinc/29/35/10/833293510.db2.gz CWMDVBZHVFWOPE-ZDUSSCGKSA-N 1 3 310.442 -0.050 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001171763232 833374695 /nfs/dbraw/zinc/37/46/95/833374695.db2.gz WCAYDSXOBLOQJX-ZDUSSCGKSA-N 1 3 319.471 -0.141 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NC(=O)NCC ZINC001171756915 833374258 /nfs/dbraw/zinc/37/42/58/833374258.db2.gz BCKNQUPWOJBOAG-UHFFFAOYSA-N 1 3 315.418 -0.730 20 0 DBADHO CN1CCN(CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1(C)C ZINC001119332256 829249866 /nfs/dbraw/zinc/24/98/66/829249866.db2.gz UYNOJOHJORPQII-UHFFFAOYSA-N 1 3 323.441 -0.014 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC001120436794 829371829 /nfs/dbraw/zinc/37/18/29/829371829.db2.gz YTOWTBXTBPYZEC-KWCYVHTRSA-N 1 3 324.425 -0.839 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCCNCC(=O)Nc2ccon2)C1 ZINC001176063280 833399334 /nfs/dbraw/zinc/39/93/34/833399334.db2.gz AQURASDQOBLJRC-NSHDSACASA-N 1 3 309.370 -0.339 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCCNCC(=O)Nc2ccon2)C1 ZINC001176063280 833399336 /nfs/dbraw/zinc/39/93/36/833399336.db2.gz AQURASDQOBLJRC-NSHDSACASA-N 1 3 309.370 -0.339 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)no1 ZINC001176072548 833399857 /nfs/dbraw/zinc/39/98/57/833399857.db2.gz XZHDBLAWJLQHEL-GFCCVEGCSA-N 1 3 323.397 -0.031 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@@H]2CC[N@H+](C)C2)no1 ZINC001176072548 833399859 /nfs/dbraw/zinc/39/98/59/833399859.db2.gz XZHDBLAWJLQHEL-GFCCVEGCSA-N 1 3 323.397 -0.031 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NC(N)=O ZINC001176986901 833444624 /nfs/dbraw/zinc/44/46/24/833444624.db2.gz YAIXYUNUUZGKTL-LLVKDONJSA-N 1 3 313.402 -0.848 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001176986280 833444811 /nfs/dbraw/zinc/44/48/11/833444811.db2.gz JJGIAVRWOTVKPU-UHFFFAOYSA-N 1 3 312.414 -0.429 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001176986654 833444915 /nfs/dbraw/zinc/44/49/15/833444915.db2.gz RWXVSZHMTMCOTI-AWEZNQCLSA-N 1 3 311.430 -0.320 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC001124879213 829799300 /nfs/dbraw/zinc/79/93/00/829799300.db2.gz QSNRTYYCCRCLOF-UONOGXRCSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)NC1CC1 ZINC001127255702 829996397 /nfs/dbraw/zinc/99/63/97/829996397.db2.gz KYJAYTZUHVVRGT-GXTWGEPZSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)NC1CC1 ZINC001127255702 829996401 /nfs/dbraw/zinc/99/64/01/829996401.db2.gz KYJAYTZUHVVRGT-GXTWGEPZSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)NC1CC1 ZINC001127255704 829996510 /nfs/dbraw/zinc/99/65/10/829996510.db2.gz KYJAYTZUHVVRGT-OCCSQVGLSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)NC1CC1 ZINC001127255704 829996514 /nfs/dbraw/zinc/99/65/14/829996514.db2.gz KYJAYTZUHVVRGT-OCCSQVGLSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC1CCC1 ZINC001127474158 830013096 /nfs/dbraw/zinc/01/30/96/830013096.db2.gz HVJKRKVCDYYVNG-HNNXBMFYSA-N 1 3 322.453 -0.050 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001127481622 830014743 /nfs/dbraw/zinc/01/47/43/830014743.db2.gz VKWZCEPNPXKYFI-DOMZBBRYSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC2CCC2)CC[N@@H+]1C ZINC001127685304 830023567 /nfs/dbraw/zinc/02/35/67/830023567.db2.gz MIVZCIVELJVAJK-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC2CCC2)CC[N@H+]1C ZINC001127685304 830023575 /nfs/dbraw/zinc/02/35/75/830023575.db2.gz MIVZCIVELJVAJK-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780250 830032197 /nfs/dbraw/zinc/03/21/97/830032197.db2.gz XTWNHQWSNXZXGQ-KBPBESRZSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780250 830032199 /nfs/dbraw/zinc/03/21/99/830032199.db2.gz XTWNHQWSNXZXGQ-KBPBESRZSA-N 1 3 307.398 -0.511 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001128533132 830094539 /nfs/dbraw/zinc/09/45/39/830094539.db2.gz HEYQQKOWCQXGTJ-VXGBXAGGSA-N 1 3 302.394 -0.349 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001128533871 830095785 /nfs/dbraw/zinc/09/57/85/830095785.db2.gz RZWZCSSZFFGURK-QWHCGFSZSA-N 1 3 316.421 -0.007 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001128539273 830095840 /nfs/dbraw/zinc/09/58/40/830095840.db2.gz BOAVKCQNNSDFIL-ZDUSSCGKSA-N 1 3 316.421 -0.102 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H](C)C(=O)N(C)C ZINC001128540498 830096016 /nfs/dbraw/zinc/09/60/16/830096016.db2.gz XFLKPADBONKOKB-NEPJUHHUSA-N 1 3 304.410 -0.151 20 0 DBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001129326920 830171925 /nfs/dbraw/zinc/17/19/25/830171925.db2.gz CWIBJHGNIDMBGE-OLZOCXBDSA-N 1 3 324.425 -0.525 20 0 DBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001129326920 830171930 /nfs/dbraw/zinc/17/19/30/830171930.db2.gz CWIBJHGNIDMBGE-OLZOCXBDSA-N 1 3 324.425 -0.525 20 0 DBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001129339612 830173675 /nfs/dbraw/zinc/17/36/75/830173675.db2.gz HUWUDRQIKCKFHJ-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001129339612 830173680 /nfs/dbraw/zinc/17/36/80/830173680.db2.gz HUWUDRQIKCKFHJ-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)C1(N(C)C)CCC1)CS(C)(=O)=O ZINC001129364331 830175735 /nfs/dbraw/zinc/17/57/35/830175735.db2.gz SKHYOLUHNPVISM-LBPRGKRZSA-N 1 3 319.471 -0.143 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364135 830175751 /nfs/dbraw/zinc/17/57/51/830175751.db2.gz PWKPXPVOODRQCV-CYBMUJFWSA-N 1 3 312.414 -0.918 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364135 830175754 /nfs/dbraw/zinc/17/57/54/830175754.db2.gz PWKPXPVOODRQCV-CYBMUJFWSA-N 1 3 312.414 -0.918 20 0 DBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NCC1CCC1)C1CC1 ZINC001129435300 830181134 /nfs/dbraw/zinc/18/11/34/830181134.db2.gz DZKGVRXCNGHQIM-HNNXBMFYSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129443406 830182098 /nfs/dbraw/zinc/18/20/98/830182098.db2.gz JSZFBYZAQVXMGD-CYBMUJFWSA-N 1 3 313.446 -0.260 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129449929 830182157 /nfs/dbraw/zinc/18/21/57/830182157.db2.gz SHIRZGYRXUSROL-NHYWBVRUSA-N 1 3 310.442 -0.053 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001129444856 830182185 /nfs/dbraw/zinc/18/21/85/830182185.db2.gz ZJMSLSSOIBSYCQ-WFASDCNBSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)N(C)C ZINC001129910337 830227426 /nfs/dbraw/zinc/22/74/26/830227426.db2.gz ORWCPURFIKEDOI-MCIONIFRSA-N 1 3 324.429 -0.394 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130198122 830280384 /nfs/dbraw/zinc/28/03/84/830280384.db2.gz VWBRIZSHFZGJNR-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CN1CCC[C@@H](NCCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001130808937 830387972 /nfs/dbraw/zinc/38/79/72/830387972.db2.gz YIKYCHRWEQYEJH-CYBMUJFWSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519215 830479470 /nfs/dbraw/zinc/47/94/70/830479470.db2.gz AKSXPLFBMKQFIS-RXFTYZNJSA-N 1 3 311.426 -0.284 20 0 DBADHO CC[C@H](C[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)OC ZINC001131522157 830480633 /nfs/dbraw/zinc/48/06/33/830480633.db2.gz URYRIPZIACYGTD-IQXANGCESA-N 1 3 311.426 -0.020 20 0 DBADHO CN1CC[C@H](NCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131789979 830529392 /nfs/dbraw/zinc/52/93/92/830529392.db2.gz CJHOSHWHLQPFIT-KBPBESRZSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(NCCN[C@H]1CCCNC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131791021 830531001 /nfs/dbraw/zinc/53/10/01/830531001.db2.gz ZBMHGKXTIRADEE-KBPBESRZSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)CC[NH+](C)C)CN1CCOCCO ZINC001132278449 830621654 /nfs/dbraw/zinc/62/16/54/830621654.db2.gz PADQXRKWXMTNDQ-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001132994941 830727847 /nfs/dbraw/zinc/72/78/47/830727847.db2.gz HAUVJWZLISQLSJ-LBPRGKRZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001133040227 830736531 /nfs/dbraw/zinc/73/65/31/830736531.db2.gz HILQUPBLIUYCBJ-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001133290940 830762841 /nfs/dbraw/zinc/76/28/41/830762841.db2.gz FNJOKVQNMSLKJQ-QWHCGFSZSA-N 1 3 314.430 -0.672 20 0 DBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294499 830763803 /nfs/dbraw/zinc/76/38/03/830763803.db2.gz LDPVXQVJSCPDJK-LBPRGKRZSA-N 1 3 302.419 -0.815 20 0 DBADHO CN(CC(F)(F)F)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291771 830764427 /nfs/dbraw/zinc/76/44/27/830764427.db2.gz ZMWADPIKSTYMKQ-UHFFFAOYSA-N 1 3 312.336 -0.335 20 0 DBADHO CC(C)OCCCNC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291224 830764559 /nfs/dbraw/zinc/76/45/59/830764559.db2.gz LZLRVDGQULOMTM-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001133819868 830830430 /nfs/dbraw/zinc/83/04/30/830830430.db2.gz PZXCDZUNZDJGIW-OLZOCXBDSA-N 1 3 317.455 -0.389 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001133819740 830831464 /nfs/dbraw/zinc/83/14/64/830831464.db2.gz NCGDHWYKAFUOCF-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001133834498 830833586 /nfs/dbraw/zinc/83/35/86/830833586.db2.gz ZFTLAKRFPMRBJA-GFCCVEGCSA-N 1 3 310.398 -0.675 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133846318 830838570 /nfs/dbraw/zinc/83/85/70/830838570.db2.gz YNYINVXHGVTIIV-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)CN1CC[C@H](C)C1)CS(C)(=O)=O ZINC001133849900 830839268 /nfs/dbraw/zinc/83/92/68/830839268.db2.gz GRZOZMQJHXCUDJ-STQMWFEESA-N 1 3 319.471 -0.285 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133867283 830842312 /nfs/dbraw/zinc/84/23/12/830842312.db2.gz TXINFKQLSDCSKX-CHWSQXEVSA-N 1 3 314.430 -0.957 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133867283 830842317 /nfs/dbraw/zinc/84/23/17/830842317.db2.gz TXINFKQLSDCSKX-CHWSQXEVSA-N 1 3 314.430 -0.957 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001133866179 830842825 /nfs/dbraw/zinc/84/28/25/830842825.db2.gz JTLZSGIJFOLABO-GXTWGEPZSA-N 1 3 310.442 -0.194 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001133866179 830842829 /nfs/dbraw/zinc/84/28/29/830842829.db2.gz JTLZSGIJFOLABO-GXTWGEPZSA-N 1 3 310.442 -0.194 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133866938 830842947 /nfs/dbraw/zinc/84/29/47/830842947.db2.gz PZNQXDKCTKOTCQ-JSGCOSHPSA-N 1 3 310.442 -0.242 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133866938 830842953 /nfs/dbraw/zinc/84/29/53/830842953.db2.gz PZNQXDKCTKOTCQ-JSGCOSHPSA-N 1 3 310.442 -0.242 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001133866182 830843031 /nfs/dbraw/zinc/84/30/31/830843031.db2.gz JTLZSGIJFOLABO-TZMCWYRMSA-N 1 3 310.442 -0.194 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001133866182 830843038 /nfs/dbraw/zinc/84/30/38/830843038.db2.gz JTLZSGIJFOLABO-TZMCWYRMSA-N 1 3 310.442 -0.194 20 0 DBADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001133897122 830850719 /nfs/dbraw/zinc/85/07/19/830850719.db2.gz ZSKYYKZCFXUYQI-AWEZNQCLSA-N 1 3 323.441 -0.318 20 0 DBADHO CN(CC(=O)NCC[NH2+]CCNS(C)(=O)=O)CC(C)(C)C ZINC001133907943 830852061 /nfs/dbraw/zinc/85/20/61/830852061.db2.gz DILRFAROLQANGK-UHFFFAOYSA-N 1 3 322.475 -0.781 20 0 DBADHO CNC(=O)[C@@H](C)NCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020633 830876280 /nfs/dbraw/zinc/87/62/80/830876280.db2.gz DJNNAUKMDOKDIT-CHWSQXEVSA-N 1 3 314.430 -0.672 20 0 DBADHO CC[C@@H](NCCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(N)=O ZINC001134021099 830877015 /nfs/dbraw/zinc/87/70/15/830877015.db2.gz RFFRDVUOHNSCTJ-QWHCGFSZSA-N 1 3 314.430 -0.543 20 0 DBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134762581 830974915 /nfs/dbraw/zinc/97/49/15/830974915.db2.gz CLFRTWQQQIXTHA-OLZOCXBDSA-N 1 3 324.425 -0.240 20 0 DBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134762581 830974920 /nfs/dbraw/zinc/97/49/20/830974920.db2.gz CLFRTWQQQIXTHA-OLZOCXBDSA-N 1 3 324.425 -0.240 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)NCCNCC(=O)NC2CC2)cn1 ZINC001135115233 831011820 /nfs/dbraw/zinc/01/18/20/831011820.db2.gz YSVZYHHOCOSNHB-UHFFFAOYSA-N 1 3 322.413 -0.957 20 0 DBADHO C[C@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001182629911 833684447 /nfs/dbraw/zinc/68/44/47/833684447.db2.gz ONKGJCZIPOGVPH-WOSRLPQWSA-N 1 3 310.442 -0.112 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001183435886 833717215 /nfs/dbraw/zinc/71/72/15/833717215.db2.gz GNJORQMVOYUWIC-RDBSUJKOSA-N 1 3 301.431 -0.230 20 0 DBADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)NC2CC2)CC1 ZINC001135959374 831141938 /nfs/dbraw/zinc/14/19/38/831141938.db2.gz PSUSJPQUGBIVEL-UHFFFAOYSA-N 1 3 312.414 -0.918 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001146710755 831292994 /nfs/dbraw/zinc/29/29/94/831292994.db2.gz MTOHWZLCRPTENY-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001146710755 831292999 /nfs/dbraw/zinc/29/29/99/831292999.db2.gz MTOHWZLCRPTENY-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001146719681 831293529 /nfs/dbraw/zinc/29/35/29/831293529.db2.gz UCHCXAUBLNPELR-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC[C@@H]1CCCO1 ZINC001146719681 831293533 /nfs/dbraw/zinc/29/35/33/831293533.db2.gz UCHCXAUBLNPELR-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO O=C(NCCN[C@@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333314 831363108 /nfs/dbraw/zinc/36/31/08/831363108.db2.gz ISPBZWOZWGTWIR-CQSZACIVSA-N 1 3 308.426 -0.297 20 0 DBADHO CC[C@H](C)NC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147891580 831415504 /nfs/dbraw/zinc/41/55/04/831415504.db2.gz DMIIMVWCCDZYSI-STQMWFEESA-N 1 3 316.446 -0.426 20 0 DBADHO CCCNC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147894024 831416038 /nfs/dbraw/zinc/41/60/38/831416038.db2.gz YJJWMPBPJDRUGJ-LBPRGKRZSA-N 1 3 302.419 -0.815 20 0 DBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001147994576 831421492 /nfs/dbraw/zinc/42/14/92/831421492.db2.gz KMRJIXRHQVVZBM-CYBMUJFWSA-N 1 3 324.425 -0.965 20 0 DBADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](C[C@H](O)COC)C2)N(C)C ZINC001148291622 831443080 /nfs/dbraw/zinc/44/30/80/831443080.db2.gz AILJLHJFTKOWDI-KBPBESRZSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)COC)C2)N(C)C ZINC001148291622 831443084 /nfs/dbraw/zinc/44/30/84/831443084.db2.gz AILJLHJFTKOWDI-KBPBESRZSA-N 1 3 313.442 -0.132 20 0 DBADHO CCS(=O)(=O)NCCNCCNC(=O)CCCC[NH+](C)C ZINC001148364832 831447445 /nfs/dbraw/zinc/44/74/45/831447445.db2.gz DFBAQUXYCJCGLF-UHFFFAOYSA-N 1 3 322.475 -0.637 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365119 831447924 /nfs/dbraw/zinc/44/79/24/831447924.db2.gz HNLSUCFFGYMQPY-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001148642932 831467606 /nfs/dbraw/zinc/46/76/06/831467606.db2.gz QVZJFOCMYQILMU-GFCCVEGCSA-N 1 3 305.444 -0.531 20 0 DBADHO CN(C)[C@H](C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1)C1CC1 ZINC001149842507 831572871 /nfs/dbraw/zinc/57/28/71/831572871.db2.gz VTQKLWNQVMTUEH-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)[C@H](C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1)C1CC1 ZINC001149842507 831572872 /nfs/dbraw/zinc/57/28/72/831572872.db2.gz VTQKLWNQVMTUEH-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO CCC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150625692 831635069 /nfs/dbraw/zinc/63/50/69/831635069.db2.gz OIGBULYMAQDQII-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150625692 831635074 /nfs/dbraw/zinc/63/50/74/831635074.db2.gz OIGBULYMAQDQII-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001151049256 831661011 /nfs/dbraw/zinc/66/10/11/831661011.db2.gz LLSKXJGQESLPCL-LBPRGKRZSA-N 1 3 308.382 -0.447 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001151049256 831661014 /nfs/dbraw/zinc/66/10/14/831661014.db2.gz LLSKXJGQESLPCL-LBPRGKRZSA-N 1 3 308.382 -0.447 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001151066477 831662164 /nfs/dbraw/zinc/66/21/64/831662164.db2.gz VEQKOFLDEKMTMT-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCN(C3CCC3)C2=O)C1 ZINC001151066477 831662167 /nfs/dbraw/zinc/66/21/67/831662167.db2.gz VEQKOFLDEKMTMT-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO Cc1cnc(CNCCNC(=O)[C@H](C)C[NH+]2CCOCC2)cn1 ZINC001151160005 831669506 /nfs/dbraw/zinc/66/95/06/831669506.db2.gz WGKCDRFZSPYRPE-CYBMUJFWSA-N 1 3 321.425 -0.041 20 0 DBADHO Cc1cnc(C[NH2+]CCNC(=O)[C@H](C)CN2CCOCC2)cn1 ZINC001151160005 831669508 /nfs/dbraw/zinc/66/95/08/831669508.db2.gz WGKCDRFZSPYRPE-CYBMUJFWSA-N 1 3 321.425 -0.041 20 0 DBADHO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCNCCNS(C)(=O)=O ZINC001152149642 831728074 /nfs/dbraw/zinc/72/80/74/831728074.db2.gz ZYSNFGWPJYJPBV-TXEJJXNPSA-N 1 3 320.459 -0.886 20 0 DBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCNCCNS(C)(=O)=O ZINC001152149642 831728079 /nfs/dbraw/zinc/72/80/79/831728079.db2.gz ZYSNFGWPJYJPBV-TXEJJXNPSA-N 1 3 320.459 -0.886 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152223172 831735378 /nfs/dbraw/zinc/73/53/78/831735378.db2.gz HVZWLLISGFANOZ-UHFFFAOYSA-N 1 3 313.402 -0.976 20 0 DBADHO C[C@H](NCCNC(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001152237774 831736634 /nfs/dbraw/zinc/73/66/34/831736634.db2.gz ULQUSGCMVZELRD-NSHDSACASA-N 1 3 313.402 -0.848 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001152426037 831748822 /nfs/dbraw/zinc/74/88/22/831748822.db2.gz BKBIXMCRJPXOTQ-UHFFFAOYSA-N 1 3 320.459 -0.932 20 0 DBADHO COC[C@@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426763 831749747 /nfs/dbraw/zinc/74/97/47/831749747.db2.gz NSPLQZULJDFPNK-ZIAGYGMSSA-N 1 3 319.446 -0.555 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001152427380 831751010 /nfs/dbraw/zinc/75/10/10/831751010.db2.gz YMFHLDUPMCUVQP-UHFFFAOYSA-N 1 3 319.471 -0.143 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001152457691 831753150 /nfs/dbraw/zinc/75/31/50/831753150.db2.gz HBGOEODTNSDQCJ-ZDUSSCGKSA-N 1 3 324.425 -0.284 20 0 DBADHO c1nc(NCc2nnn3c2CNCCC3)cc(C2C[NH2+]C2)n1 ZINC001155400827 831931807 /nfs/dbraw/zinc/93/18/07/831931807.db2.gz ZASRAWIRCSGRDG-UHFFFAOYSA-N 1 3 300.370 -0.140 20 0 DBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC(F)(F)F ZINC001155789887 831952499 /nfs/dbraw/zinc/95/24/99/831952499.db2.gz GVEMQWGDSHWVGU-JTQLQIEISA-N 1 3 324.347 -0.145 20 0 DBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@H](N)Cc2c[nH]cn2)CC1 ZINC001157448686 832043592 /nfs/dbraw/zinc/04/35/92/832043592.db2.gz FZCGVMIVQXMIGB-GFCCVEGCSA-N 1 3 323.397 -0.447 20 0 DBADHO N[C@H](C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001157497034 832047783 /nfs/dbraw/zinc/04/77/83/832047783.db2.gz NQRZNADCYKUJBT-KBPBESRZSA-N 1 3 324.425 -0.837 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CO[C@]2(C1)CCC[NH2+]CC2 ZINC001157715256 832057364 /nfs/dbraw/zinc/05/73/64/832057364.db2.gz DCPLZKWUMCDPHH-OFQRWUPVSA-N 1 3 311.426 -0.018 20 0 DBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157717157 832058177 /nfs/dbraw/zinc/05/81/77/832058177.db2.gz XHBWHJPAIWTMJC-ABAIWWIYSA-N 1 3 313.373 -0.026 20 0 DBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157717157 832058181 /nfs/dbraw/zinc/05/81/81/832058181.db2.gz XHBWHJPAIWTMJC-ABAIWWIYSA-N 1 3 313.373 -0.026 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001157720154 832058212 /nfs/dbraw/zinc/05/82/12/832058212.db2.gz BGXQVEKNEYMPBX-NWDGAFQWSA-N 1 3 315.414 -0.118 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001157720183 832058263 /nfs/dbraw/zinc/05/82/63/832058263.db2.gz BVJOUBNRBZFQIY-OLZOCXBDSA-N 1 3 320.393 -0.117 20 0 DBADHO CC(=O)NCCCC[C@H]([NH3+])C(=O)N(C)C[C@H]1CNCCO1 ZINC001157721072 832058532 /nfs/dbraw/zinc/05/85/32/832058532.db2.gz UBGWFTFYQVTRNC-OLZOCXBDSA-N 1 3 300.403 -0.933 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CCCCN1[C@H]1CC[NH2+]C1 ZINC001157720187 832058572 /nfs/dbraw/zinc/05/85/72/832058572.db2.gz BXAVMUYAVYOLLP-KKUMJFAQSA-N 1 3 310.442 -0.350 20 0 DBADHO O=C(N1C[C@@H](CO)CC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157900375 832071167 /nfs/dbraw/zinc/07/11/67/832071167.db2.gz ITOKNZZYZSDHGG-DMDPSCGWSA-N 1 3 303.353 -0.338 20 0 DBADHO C[C@H]1C(=O)Nc2cnc(NC(=[NH2+])N3CCN(C)CC3)nc2N1C ZINC001157914872 832072891 /nfs/dbraw/zinc/07/28/91/832072891.db2.gz GDKTWJCNFZCIOQ-VIFPVBQESA-N 1 3 318.385 -0.153 20 0 DBADHO N[C@H](C(=O)N1CCN(C(=O)C(F)(F)F)CC1)C1CC[NH2+]CC1 ZINC001157982566 832080938 /nfs/dbraw/zinc/08/09/38/832080938.db2.gz PEHKJFYYFIEOSN-JTQLQIEISA-N 1 3 322.331 -0.454 20 0 DBADHO O=C([C@@H]1CNCc2ccnn2C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071067 832087043 /nfs/dbraw/zinc/08/70/43/832087043.db2.gz SZCAVAXQYMLELW-CYBMUJFWSA-N 1 3 319.409 -0.417 20 0 DBADHO NCc1ccc(C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)cn1 ZINC001158120732 832091857 /nfs/dbraw/zinc/09/18/57/832091857.db2.gz SYXXDDSZQGRPMZ-MRXNPFEDSA-N 1 3 315.377 -0.908 20 0 DBADHO O=C(C[C@@H]1CCNC[C@@H]1F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118981 832091925 /nfs/dbraw/zinc/09/19/25/832091925.db2.gz FKFXHQQHZRBUJQ-MQIPJXDCSA-N 1 3 324.400 -0.738 20 0 DBADHO O=C([C@@H]1C[C@@H](F)CCN1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260080 832101430 /nfs/dbraw/zinc/10/14/30/832101430.db2.gz CHNGSMLIOMXSAY-RYUDHWBXSA-N 1 3 322.388 -0.211 20 0 DBADHO O=C(C[C@H]1CNCCO1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277191 832102547 /nfs/dbraw/zinc/10/25/47/832102547.db2.gz LZWQXOHDOGZLPT-LBPRGKRZSA-N 1 3 320.397 -0.923 20 0 DBADHO [NH3+]CCNC(=O)/C=C/C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158327695 832105957 /nfs/dbraw/zinc/10/59/57/832105957.db2.gz MWQGCGQGCOEIPS-ICWYTKJFSA-N 1 3 314.389 -0.285 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCS(=O)(=O)CC1 ZINC001158370053 832107965 /nfs/dbraw/zinc/10/79/65/832107965.db2.gz PJLSURCBYCXPNZ-LBPRGKRZSA-N 1 3 305.444 -0.261 20 0 DBADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001158415986 832109914 /nfs/dbraw/zinc/10/99/14/832109914.db2.gz QWRXJUBSACXAGC-YWPYICTPSA-N 1 3 313.398 -0.377 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CCC2(CNC2)O1 ZINC001158495685 832117955 /nfs/dbraw/zinc/11/79/55/832117955.db2.gz CUGXHDRXMZODRW-WUHRBBMRSA-N 1 3 323.393 -0.741 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C[C@H]1CNCCO1 ZINC001158497508 832118998 /nfs/dbraw/zinc/11/89/98/832118998.db2.gz AOJLKIYNGIPZTF-ZDEQEGDKSA-N 1 3 311.382 -0.883 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CNC[C@H](F)C1 ZINC001158496583 832119008 /nfs/dbraw/zinc/11/90/08/832119008.db2.gz UAORDFZGHIDCKD-CKIKVBCHSA-N 1 3 313.373 -0.314 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158543965 832120813 /nfs/dbraw/zinc/12/08/13/832120813.db2.gz AQWVRBAFNRZDQI-URXVPTCASA-N 1 3 315.439 -0.938 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158568681 832122774 /nfs/dbraw/zinc/12/27/74/832122774.db2.gz QSOPCGYFFKYRJI-AXFHLTTASA-N 1 3 315.393 -0.702 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158569087 832122826 /nfs/dbraw/zinc/12/28/26/832122826.db2.gz VQAXCWJXYBDFQZ-MXWKQRLJSA-N 1 3 301.362 -0.198 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1cc3c(nn1)CCNC3)CC2 ZINC001158634125 832125893 /nfs/dbraw/zinc/12/58/93/832125893.db2.gz CPHABUOUULZSSG-CZUORRHYSA-N 1 3 317.393 -0.146 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(c1ncc3c(n1)CCNC3)CC2 ZINC001158636992 832126863 /nfs/dbraw/zinc/12/68/63/832126863.db2.gz NTVCHVZSLIZWIM-CZUORRHYSA-N 1 3 317.393 -0.146 20 0 DBADHO COC[C@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])Cc2cn(C)nc21 ZINC001159018327 832152990 /nfs/dbraw/zinc/15/29/90/832152990.db2.gz MEQMEEUQRRIEQR-OLZOCXBDSA-N 1 3 309.414 -0.051 20 0 DBADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@H](N)CCC[NH3+])cn1 ZINC001159083815 832155054 /nfs/dbraw/zinc/15/50/54/832155054.db2.gz ADOULSYTVLTWQN-FRRDWIJNSA-N 1 3 320.397 -0.808 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676030 833805491 /nfs/dbraw/zinc/80/54/91/833805491.db2.gz IDQROXAHZJZQLU-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)CCN1CC[C@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001269248782 832398193 /nfs/dbraw/zinc/39/81/93/832398193.db2.gz RACOWXBLYARZFN-WMLDXEAASA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1CC[C@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001269248782 832398201 /nfs/dbraw/zinc/39/82/01/832398201.db2.gz RACOWXBLYARZFN-WMLDXEAASA-N 1 3 322.453 -0.049 20 0 DBADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCOCCO)C1 ZINC001269355259 832421860 /nfs/dbraw/zinc/42/18/60/832421860.db2.gz FCMZUZIIIIZHDI-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCOCCO)C1 ZINC001269355259 832421864 /nfs/dbraw/zinc/42/18/64/832421864.db2.gz FCMZUZIIIIZHDI-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001270979848 832602092 /nfs/dbraw/zinc/60/20/92/832602092.db2.gz LBRRAZRWTRLTCR-KKUMJFAQSA-N 1 3 310.442 -0.446 20 0 DBADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CN(C)CCO1 ZINC001270979848 832602094 /nfs/dbraw/zinc/60/20/94/832602094.db2.gz LBRRAZRWTRLTCR-KKUMJFAQSA-N 1 3 310.442 -0.446 20 0 DBADHO CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001271168919 832633926 /nfs/dbraw/zinc/63/39/26/832633926.db2.gz BJTFSUBJNNHXTD-OLZOCXBDSA-N 1 3 313.446 -0.212 20 0 DBADHO CCOCCN1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001271185458 832637538 /nfs/dbraw/zinc/63/75/38/832637538.db2.gz ZWNBBMDTMADDAL-MRXNPFEDSA-N 1 3 313.442 -0.082 20 0 DBADHO CN1CCC(O)(C(=O)N2CC[C@H]3CN(CC[NH+](C)C)C[C@H]32)CC1 ZINC001271804792 832702824 /nfs/dbraw/zinc/70/28/24/832702824.db2.gz QQYRMZNSQQPZNY-LSDHHAIUSA-N 1 3 324.469 -0.463 20 0 DBADHO CN1C[C@@H](O)C[C@H]1C(=O)N1CC2(C1)CCN(CC[NH+](C)C)C2 ZINC001272273087 832765949 /nfs/dbraw/zinc/76/59/49/832765949.db2.gz GCHATPXKJKZMJP-KBPBESRZSA-N 1 3 310.442 -0.853 20 0 DBADHO CN(C)CC[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)CN3C)C2)C1 ZINC001272273087 832765952 /nfs/dbraw/zinc/76/59/52/832765952.db2.gz GCHATPXKJKZMJP-KBPBESRZSA-N 1 3 310.442 -0.853 20 0 DBADHO CN(C)CC[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H](O)CN3C)C2)C1 ZINC001272273087 832765956 /nfs/dbraw/zinc/76/59/56/832765956.db2.gz GCHATPXKJKZMJP-KBPBESRZSA-N 1 3 310.442 -0.853 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1 ZINC001272414741 832783768 /nfs/dbraw/zinc/78/37/68/832783768.db2.gz SHNQFGFFFVPGNW-KBPBESRZSA-N 1 3 324.429 -0.782 20 0 DBADHO C[NH+](C)CCN1C[C@@]2(CCN(C[C@@H]3CCC(=O)N3)C2)OCC1=O ZINC001272525418 832793900 /nfs/dbraw/zinc/79/39/00/832793900.db2.gz SNUYDYCSQVEEBQ-BBRMVZONSA-N 1 3 324.425 -0.870 20 0 DBADHO C[NH+](C)CCN1C[C@]2(CCN(C[C@@H]3CCC(=O)N3)C2)OCC1=O ZINC001272525421 832794293 /nfs/dbraw/zinc/79/42/93/832794293.db2.gz SNUYDYCSQVEEBQ-XJKSGUPXSA-N 1 3 324.425 -0.870 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159290633 832803498 /nfs/dbraw/zinc/80/34/98/832803498.db2.gz HNZIDSZAFWXKSR-CYBMUJFWSA-N 1 3 323.441 -0.294 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159290633 832803505 /nfs/dbraw/zinc/80/35/05/832803505.db2.gz HNZIDSZAFWXKSR-CYBMUJFWSA-N 1 3 323.441 -0.294 20 0 DBADHO N[C@H](C(=O)N1CC2CC1(C(=O)N1CCCC1)C2)C1CC[NH2+]CC1 ZINC001159688878 832836398 /nfs/dbraw/zinc/83/63/98/832836398.db2.gz XXRDTRLTKKDJMX-TVIZTDCDSA-N 1 3 320.437 -0.073 20 0 DBADHO CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)CC2 ZINC001159863289 832852846 /nfs/dbraw/zinc/85/28/46/832852846.db2.gz RNVSXXCXUSAMDM-OLZOCXBDSA-N 1 3 320.437 -0.488 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001159930380 832860692 /nfs/dbraw/zinc/86/06/92/832860692.db2.gz SYIUHTYRHPRILO-ULKWEWGCSA-N 1 3 320.393 -0.047 20 0 DBADHO CN(CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)C1CCC1 ZINC001159997021 832863953 /nfs/dbraw/zinc/86/39/53/832863953.db2.gz BGKABQFDUFSXQQ-LBPRGKRZSA-N 1 3 310.398 -0.628 20 0 DBADHO CN(CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CCC1 ZINC001159997020 832864313 /nfs/dbraw/zinc/86/43/13/832864313.db2.gz BGKABQFDUFSXQQ-GFCCVEGCSA-N 1 3 310.398 -0.628 20 0 DBADHO C[NH+](C)CCN1CCC2(CN(C(=O)CN3CC[C@H](O)C3)C2)C1 ZINC001273070190 832874104 /nfs/dbraw/zinc/87/41/04/832874104.db2.gz VEMHSSYVZPUEHK-AWEZNQCLSA-N 1 3 310.442 -0.851 20 0 DBADHO CN(C)CC[N@@H+]1CCC2(CN(C(=O)CN3CC[C@H](O)C3)C2)C1 ZINC001273070190 832874115 /nfs/dbraw/zinc/87/41/15/832874115.db2.gz VEMHSSYVZPUEHK-AWEZNQCLSA-N 1 3 310.442 -0.851 20 0 DBADHO CN(C)CC[N@H+]1CCC2(CN(C(=O)CN3CC[C@H](O)C3)C2)C1 ZINC001273070190 832874124 /nfs/dbraw/zinc/87/41/24/832874124.db2.gz VEMHSSYVZPUEHK-AWEZNQCLSA-N 1 3 310.442 -0.851 20 0 DBADHO N[C@@H](C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001160405744 832899573 /nfs/dbraw/zinc/89/95/73/832899573.db2.gz YVVNXHUSAJCUQY-ZJIFWQFVSA-N 1 3 323.437 -0.034 20 0 DBADHO CC(=O)N1CCCC[C@@]12CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160424694 832900857 /nfs/dbraw/zinc/90/08/57/832900857.db2.gz ZAAKMVBHYYWKAZ-PBHICJAKSA-N 1 3 320.437 -0.201 20 0 DBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001160427905 832901933 /nfs/dbraw/zinc/90/19/33/832901933.db2.gz XLGJWCGCJDMJSF-AAEUAGOBSA-N 1 3 312.414 -0.526 20 0 DBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)N(C)C ZINC001160427282 832902448 /nfs/dbraw/zinc/90/24/48/832902448.db2.gz OKTOEDFINXBAHT-LBPRGKRZSA-N 1 3 307.460 -0.287 20 0 DBADHO O=C([C@H]1COC2(CNC2)CN1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460755 832907369 /nfs/dbraw/zinc/90/73/69/832907369.db2.gz FHFAWZPZWYKUOW-HUUCEWRRSA-N 1 3 322.453 -0.206 20 0 DBADHO CC(C)(C)N1CCN(C(=O)[C@@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160583194 832921024 /nfs/dbraw/zinc/92/10/24/832921024.db2.gz WGHDZFKAANWVCX-AWEZNQCLSA-N 1 3 311.474 -0.321 20 0 DBADHO O=C(N1CCC[C@H](n2cncn2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160637772 832926816 /nfs/dbraw/zinc/92/68/16/832926816.db2.gz PJNPUNAJWQWHSH-VNHYZAJKSA-N 1 3 304.398 -0.359 20 0 DBADHO COC(=O)[C@]1(C)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001160635148 832927089 /nfs/dbraw/zinc/92/70/89/832927089.db2.gz GLDUNXUFHSGBFK-DAXOMENPSA-N 1 3 309.410 -0.013 20 0 DBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644214 832929370 /nfs/dbraw/zinc/92/93/70/832929370.db2.gz XPAPTFAITHMDOG-WDEREUQCSA-N 1 3 301.387 -0.378 20 0 DBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661811 832932595 /nfs/dbraw/zinc/93/25/95/832932595.db2.gz RJFGEVVWGYBBPF-MBNYWOFBSA-N 1 3 307.394 -0.181 20 0 DBADHO O=C(N1CCO[C@H](C(F)(F)F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160705742 832936193 /nfs/dbraw/zinc/93/61/93/832936193.db2.gz RENYFTDGWOSOOA-JFGNBEQYSA-N 1 3 307.316 -0.025 20 0 DBADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001160748040 832939592 /nfs/dbraw/zinc/93/95/92/832939592.db2.gz YERRKMMXWKMLRA-VXGBXAGGSA-N 1 3 300.403 -0.804 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160755628 832940934 /nfs/dbraw/zinc/94/09/34/832940934.db2.gz MCTTYGHUEFLKNH-LBPRGKRZSA-N 1 3 302.378 -0.477 20 0 DBADHO O=C(N1C[C@@H]2COC[C@H](C1)C2(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160759868 832941517 /nfs/dbraw/zinc/94/15/17/832941517.db2.gz BRSYJMMUOOGXCV-NRWUCQMLSA-N 1 3 315.364 -0.074 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C1CC[NH+](C)CC1 ZINC001273588534 832941552 /nfs/dbraw/zinc/94/15/52/832941552.db2.gz OTVCDEVGRHZWGF-ZDUSSCGKSA-N 1 3 324.425 -0.429 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001160768945 832941601 /nfs/dbraw/zinc/94/16/01/832941601.db2.gz GRRLBGMHAIFYOB-GXFFZTMASA-N 1 3 301.337 -0.178 20 0 DBADHO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001160788321 832942574 /nfs/dbraw/zinc/94/25/74/832942574.db2.gz QSYVELMSRWNREN-SKDRFNHKSA-N 1 3 309.370 -0.535 20 0 DBADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160820533 832946484 /nfs/dbraw/zinc/94/64/84/832946484.db2.gz YKRIZZQQZABRJI-ZDEQEGDKSA-N 1 3 307.394 -0.405 20 0 DBADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160820518 832946577 /nfs/dbraw/zinc/94/65/77/832946577.db2.gz YKRIZZQQZABRJI-CYDGBPFRSA-N 1 3 307.394 -0.405 20 0 DBADHO Nc1cccnc1N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160825622 832947512 /nfs/dbraw/zinc/94/75/12/832947512.db2.gz FYJDYXNSOYDRJL-LBPRGKRZSA-N 1 3 316.409 -0.879 20 0 DBADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001160824835 832947574 /nfs/dbraw/zinc/94/75/74/832947574.db2.gz RPLLTNWDZSHQKR-ZYHUDNBSSA-N 1 3 309.370 -0.535 20 0 DBADHO COC(=O)[C@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CCN1C ZINC001160870320 832955485 /nfs/dbraw/zinc/95/54/85/832955485.db2.gz BWSAJAPQVIRANI-QWHCGFSZSA-N 1 3 314.430 -0.639 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O)N(C)C ZINC001160883957 832957065 /nfs/dbraw/zinc/95/70/65/832957065.db2.gz ZMJMOMSRPBIAJU-GFCCVEGCSA-N 1 3 322.475 -0.686 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)N(C)C ZINC001160889314 832957255 /nfs/dbraw/zinc/95/72/55/832957255.db2.gz HYHAVNJDKMQUES-UONOGXRCSA-N 1 3 311.430 -0.320 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)COCCOC)N(C)C ZINC001160889101 832957390 /nfs/dbraw/zinc/95/73/90/832957390.db2.gz CMQJEHLFDVMVDZ-ZIAGYGMSSA-N 1 3 319.446 -0.554 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCOC[C@@H]1c1cccnc1 ZINC001160950821 832960967 /nfs/dbraw/zinc/96/09/67/832960967.db2.gz HOAHJHYNVDGHRA-ZIAGYGMSSA-N 1 3 302.378 -0.210 20 0 DBADHO CC(=O)NCCCC[C@H](N)C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160971696 832963445 /nfs/dbraw/zinc/96/34/45/832963445.db2.gz MBBMSLHFTSMKQN-MNOVXSKESA-N 1 3 306.357 -0.185 20 0 DBADHO O=C([C@@H]1CNCc2ccnn2C1)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000882 832964856 /nfs/dbraw/zinc/96/48/56/832964856.db2.gz VTTKZVPOFRAPCB-TZMCWYRMSA-N 1 3 319.409 -0.682 20 0 DBADHO COc1cc(N2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)ncn1 ZINC001161093067 832976401 /nfs/dbraw/zinc/97/64/01/832976401.db2.gz HDMXZNAUNVQMMF-NSHDSACASA-N 1 3 308.386 -0.800 20 0 DBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H]1CNCc2ccnn2C1 ZINC001161152878 832985547 /nfs/dbraw/zinc/98/55/47/832985547.db2.gz AHAGCRSJTCMSLQ-LBPRGKRZSA-N 1 3 323.397 -0.657 20 0 DBADHO CC(C)N1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001273922763 832985947 /nfs/dbraw/zinc/98/59/47/832985947.db2.gz SZFAFXIWWAGIDL-UHFFFAOYSA-N 1 3 324.469 -0.055 20 0 DBADHO CC(C)(O)CCN1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001161174593 832988656 /nfs/dbraw/zinc/98/86/56/832988656.db2.gz AJMIXODEAWFYPL-LBPRGKRZSA-N 1 3 318.487 -0.689 20 0 DBADHO C[C@H](N[C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C)C(=O)NC(N)=O ZINC001179486402 833549267 /nfs/dbraw/zinc/54/92/67/833549267.db2.gz MGOMTLWRGVEKDO-DCAQKATOSA-N 1 3 313.402 -0.900 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C)N(C)C ZINC001179550453 833550803 /nfs/dbraw/zinc/55/08/03/833550803.db2.gz WTXBBBKXVHRMGR-DCAQKATOSA-N 1 3 313.402 -0.900 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001179925784 833563791 /nfs/dbraw/zinc/56/37/91/833563791.db2.gz UCKKGJYQXHYPLI-IHRRRGAJSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001179925784 833563793 /nfs/dbraw/zinc/56/37/93/833563793.db2.gz UCKKGJYQXHYPLI-IHRRRGAJSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(CC(=O)NCCN(CC[NH3+])N(O)N=O)C1CCCC1 ZINC001180630615 833595248 /nfs/dbraw/zinc/59/52/48/833595248.db2.gz MJWKGRRHLZZIGU-UHFFFAOYSA-N 1 3 302.379 -0.475 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C)CCO1 ZINC001180758899 833601031 /nfs/dbraw/zinc/60/10/31/833601031.db2.gz LBRRAZRWTRLTCR-RRFJBIMHSA-N 1 3 310.442 -0.446 20 0 DBADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CN(C)CCO1 ZINC001180758899 833601033 /nfs/dbraw/zinc/60/10/33/833601033.db2.gz LBRRAZRWTRLTCR-RRFJBIMHSA-N 1 3 310.442 -0.446 20 0 DBADHO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1)C1CC1 ZINC001181652148 833638693 /nfs/dbraw/zinc/63/86/93/833638693.db2.gz JZXILUSVJPKEBP-OCCSQVGLSA-N 1 3 308.426 -0.108 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001181652672 833638985 /nfs/dbraw/zinc/63/89/85/833638985.db2.gz OGXQTVLILANNFR-ZIAGYGMSSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182615194 833682637 /nfs/dbraw/zinc/68/26/37/833682637.db2.gz CGOXKSLBOGFCIL-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001182964294 833697787 /nfs/dbraw/zinc/69/77/87/833697787.db2.gz KZOHTKKKOSHHMQ-NEPJUHHUSA-N 1 3 302.394 -0.397 20 0 DBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](F)CN(CC)CC)C1 ZINC001182964166 833697915 /nfs/dbraw/zinc/69/79/15/833697915.db2.gz IXMXQJDOFHXXTP-OLZOCXBDSA-N 1 3 316.421 -0.007 20 0 DBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001184423104 833759474 /nfs/dbraw/zinc/75/94/74/833759474.db2.gz AHXMLTRJRRGPQX-IQXANGCESA-N 1 3 309.410 -0.578 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)N(C)C ZINC001185230620 833784263 /nfs/dbraw/zinc/78/42/63/833784263.db2.gz XEAKJIORRHMMFH-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001185264156 833787865 /nfs/dbraw/zinc/78/78/65/833787865.db2.gz BFTYJWXPFVYALT-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001186496966 833852959 /nfs/dbraw/zinc/85/29/59/833852959.db2.gz VJRDVEGKCZWCOQ-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001186824873 833880503 /nfs/dbraw/zinc/88/05/03/833880503.db2.gz PBWRGDBLDDEMRL-VXGBXAGGSA-N 1 3 310.398 -0.676 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001186824873 833880512 /nfs/dbraw/zinc/88/05/12/833880512.db2.gz PBWRGDBLDDEMRL-VXGBXAGGSA-N 1 3 310.398 -0.676 20 0 DBADHO O=C(CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC001187121340 833904106 /nfs/dbraw/zinc/90/41/06/833904106.db2.gz HRLMZXKUSXLRTB-CYBMUJFWSA-N 1 3 306.410 -0.449 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC001187241210 833912425 /nfs/dbraw/zinc/91/24/25/833912425.db2.gz SXJZLGORSVTROJ-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001187306673 833916378 /nfs/dbraw/zinc/91/63/78/833916378.db2.gz MKXBYLJELLMHMF-HUUCEWRRSA-N 1 3 323.441 -0.224 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001187329306 833918844 /nfs/dbraw/zinc/91/88/44/833918844.db2.gz PFIRSTZAOZJXPP-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825711 833951383 /nfs/dbraw/zinc/95/13/83/833951383.db2.gz RYKGPNPBFKXNLV-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187825711 833951384 /nfs/dbraw/zinc/95/13/84/833951384.db2.gz RYKGPNPBFKXNLV-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CS(=O)(=O)CCC[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001187842358 833953181 /nfs/dbraw/zinc/95/31/81/833953181.db2.gz KZDOUBLDSQIRRN-CYBMUJFWSA-N 1 3 317.455 -0.293 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001188140022 833970141 /nfs/dbraw/zinc/97/01/41/833970141.db2.gz WNKMJPMYQAXIIB-CYBMUJFWSA-N 1 3 324.425 -0.334 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001188158559 833971226 /nfs/dbraw/zinc/97/12/26/833971226.db2.gz SYKZRRNSSTYFKA-CYBMUJFWSA-N 1 3 311.430 -0.458 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001188978634 834031973 /nfs/dbraw/zinc/03/19/73/834031973.db2.gz BNCKZIVTIGIGSE-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189470013 834084228 /nfs/dbraw/zinc/08/42/28/834084228.db2.gz BOTWUFXZBKWFQI-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189470013 834084237 /nfs/dbraw/zinc/08/42/37/834084237.db2.gz BOTWUFXZBKWFQI-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1)C1CC1 ZINC001190656324 834178412 /nfs/dbraw/zinc/17/84/12/834178412.db2.gz RXRJQZFTJXATNG-HUUCEWRRSA-N 1 3 313.442 -0.132 20 0 DBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)C1CC1 ZINC001190656324 834178416 /nfs/dbraw/zinc/17/84/16/834178416.db2.gz RXRJQZFTJXATNG-HUUCEWRRSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001190900343 834203406 /nfs/dbraw/zinc/20/34/06/834203406.db2.gz OPWCZHKEQVQBRV-HZSPNIEDSA-N 1 3 301.431 -0.133 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001190900343 834203409 /nfs/dbraw/zinc/20/34/09/834203409.db2.gz OPWCZHKEQVQBRV-HZSPNIEDSA-N 1 3 301.431 -0.133 20 0 DBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192172140 834339720 /nfs/dbraw/zinc/33/97/20/834339720.db2.gz ZHASZKAQPFKSJG-CYBMUJFWSA-N 1 3 311.430 -0.504 20 0 DBADHO CCOC(=O)C1=C([N-]S(=O)(=O)C2CC[NH2+]CC2)CC[NH2+]C1 ZINC001238614207 834357524 /nfs/dbraw/zinc/35/75/24/834357524.db2.gz KNZJNVHJUNNHOP-UHFFFAOYSA-N 1 3 317.411 -0.532 20 0 DBADHO O=S(=O)([N-][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC001238760647 834362864 /nfs/dbraw/zinc/36/28/64/834362864.db2.gz MMPLKERSYMEAJO-IWSPIJDZSA-N 1 3 301.334 -0.192 20 0 DBADHO O=S(=O)([N-][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC001238760648 834364879 /nfs/dbraw/zinc/36/48/79/834364879.db2.gz MMPLKERSYMEAJO-XHNCKOQMSA-N 1 3 301.334 -0.192 20 0 DBADHO COC(=O)[C@H](CCC[NH3+])[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238841137 834367010 /nfs/dbraw/zinc/36/70/10/834367010.db2.gz ZTFURRAWRKZOFQ-NSHDSACASA-N 1 3 307.416 -0.814 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001192387591 834368255 /nfs/dbraw/zinc/36/82/55/834368255.db2.gz XLFKWUSCFXENOB-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001192387591 834368266 /nfs/dbraw/zinc/36/82/66/834368266.db2.gz XLFKWUSCFXENOB-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO NCCS(=O)(=O)NCC1(Cc2cccnc2)CC[NH2+]CC1 ZINC001238848179 834368532 /nfs/dbraw/zinc/36/85/32/834368532.db2.gz MAJYDTJCACEBNE-UHFFFAOYSA-N 1 3 312.439 -0.128 20 0 DBADHO COC(=O)CCCCS(=O)(=O)NCCC[NH2+]CCCN ZINC001238879616 834369696 /nfs/dbraw/zinc/36/96/96/834369696.db2.gz ULVGBSBVRXXWAH-UHFFFAOYSA-N 1 3 309.432 -0.422 20 0 DBADHO O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001239014003 834376886 /nfs/dbraw/zinc/37/68/86/834376886.db2.gz HGUDKBJRZVLUQW-STQMWFEESA-N 1 3 303.428 -0.622 20 0 DBADHO C[NH+](C)C[C@H]1Cn2ccnc2CN(S(=O)(=O)CCN)C1 ZINC001239077704 834380580 /nfs/dbraw/zinc/38/05/80/834380580.db2.gz SZIZXTXGZZCNNU-NSHDSACASA-N 1 3 301.416 -0.835 20 0 DBADHO CCOC(=O)C1CCC(O)(C[N@@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246023970 834409924 /nfs/dbraw/zinc/40/99/24/834409924.db2.gz SYXHETVHAIKQHI-FMPXUHTOSA-N 1 3 300.399 -0.278 20 0 DBADHO CCOC(=O)C1CCC(O)(C[N@H+]2C[C@H](O)[C@@H](CN)C2)CC1 ZINC001246023970 834409926 /nfs/dbraw/zinc/40/99/26/834409926.db2.gz SYXHETVHAIKQHI-FMPXUHTOSA-N 1 3 300.399 -0.278 20 0 DBADHO COC(=O)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)[C@@H](N)Cc2ccccc2)CCN1 ZINC001246017255 834410086 /nfs/dbraw/zinc/41/00/86/834410086.db2.gz IWVUEJIRWHSHIF-YHUYYLMFSA-N 1 3 321.421 -0.200 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246084927 834415895 /nfs/dbraw/zinc/41/58/95/834415895.db2.gz UITQPTHHDCPMFU-ZJQBRPOHSA-N 1 3 303.378 -0.678 20 0 DBADHO O=C([C@@H]1C[C@H](N[C@H]2CCNC[C@H]2F)C[NH2+]1)N1CCSC1 ZINC001246086836 834416316 /nfs/dbraw/zinc/41/63/16/834416316.db2.gz MKMIVOIMXTWSHD-USZNOCQGSA-N 1 3 302.419 -0.461 20 0 DBADHO COC(=O)[C@@H]1C[C@@H](NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])CN1 ZINC001246286194 834427635 /nfs/dbraw/zinc/42/76/35/834427635.db2.gz IKDKBYQXEQVKON-CYRBOEJBSA-N 1 3 301.387 -0.796 20 0 DBADHO O=S1(=O)CCN(CCCNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC001246337283 834430485 /nfs/dbraw/zinc/43/04/85/834430485.db2.gz UAMRQJLKHBFMSX-PBWFPOADSA-N 1 3 301.456 -0.021 20 0 DBADHO C[C@@H](CC(=O)N1CCOCC1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246418658 834434622 /nfs/dbraw/zinc/43/46/22/834434622.db2.gz SELKDSZQANVBHP-RYUDHWBXSA-N 1 3 300.403 -0.804 20 0 DBADHO CCOC(=O)[C@@H]1C[C@@H](N[C@@H](CCCC[NH3+])C(=O)NC)CCN1 ZINC001246514094 834439896 /nfs/dbraw/zinc/43/98/96/834439896.db2.gz YZGRJICLAKLADU-AVGNSLFASA-N 1 3 314.430 -0.497 20 0 DBADHO CC[C@@]1(C(=O)OC)C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246594853 834441837 /nfs/dbraw/zinc/44/18/37/834441837.db2.gz LSEXXQZSNIHALH-CJNGLKHVSA-N 1 3 310.442 -0.303 20 0 DBADHO O=C([C@@H]1C[C@@H](N2CCNC[C@H](F)C2)C[NH2+]1)N1CCSC1 ZINC001246595769 834442022 /nfs/dbraw/zinc/44/20/22/834442022.db2.gz IGIKCHYABIUORZ-TUAOUCFPSA-N 1 3 302.419 -0.507 20 0 DBADHO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)CCN1 ZINC001246684702 834448626 /nfs/dbraw/zinc/44/86/26/834448626.db2.gz NSHPDJBGGNFGET-YMSVYLFOSA-N 1 3 309.410 -0.267 20 0 DBADHO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)CCN1 ZINC001246684702 834448631 /nfs/dbraw/zinc/44/86/31/834448631.db2.gz NSHPDJBGGNFGET-YMSVYLFOSA-N 1 3 309.410 -0.267 20 0 DBADHO CNC(=O)CN1CCOC[C@@]2(CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001246711681 834451319 /nfs/dbraw/zinc/45/13/19/834451319.db2.gz VQTMECCXCWEOGH-KRWDZBQOSA-N 1 3 324.469 -0.101 20 0 DBADHO CC(=O)N1CCC[C@@]2(C1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246760748 834452830 /nfs/dbraw/zinc/45/28/30/834452830.db2.gz QOTVIGUTSGIDCT-DOTOQJQBSA-N 1 3 322.453 -0.206 20 0 DBADHO COC(=O)[C@@H]1CC[C@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246976289 834465561 /nfs/dbraw/zinc/46/55/61/834465561.db2.gz NSEKAOMSMIPHFS-ZNMIVQPWSA-N 1 3 310.442 -0.223 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C1C[C@@H]3COC[C@H](C1)N3)CC2 ZINC001246988730 834466670 /nfs/dbraw/zinc/46/66/70/834466670.db2.gz QDQNBVBEFYFMOP-KWIXYNLZSA-N 1 3 309.410 -0.267 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCC[NH2+]C[C@@H]1F)O3 ZINC001247007115 834467828 /nfs/dbraw/zinc/46/78/28/834467828.db2.gz BMVHJEYRDIYHBY-FHUSYTEZSA-N 1 3 319.402 -0.779 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@@H]1COC2(CNC2)C1 ZINC001247009705 834467982 /nfs/dbraw/zinc/46/79/82/834467982.db2.gz LKMQFGBNSNOXEZ-GRYCIOLGSA-N 1 3 301.412 -0.869 20 0 DBADHO C[C@@H]1C[C@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)CC[NH2+]1 ZINC001247009808 834468053 /nfs/dbraw/zinc/46/80/53/834468053.db2.gz MDFPUDLLGZABBG-KVSVUVNWSA-N 1 3 301.412 -0.728 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247013837 834469307 /nfs/dbraw/zinc/46/93/07/834469307.db2.gz ZNCMASBDUVFVBG-BNDIWNMDSA-N 1 3 301.412 -0.871 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[NH2+]CC[C@H]1F)O3 ZINC001247013796 834469341 /nfs/dbraw/zinc/46/93/41/834469341.db2.gz YVEFLIQCIFVHDS-KVSVUVNWSA-N 1 3 319.402 -0.779 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@H]1CC[C@@H]2NCCO[C@H]21 ZINC001247013804 834469617 /nfs/dbraw/zinc/46/96/17/834469617.db2.gz YWQUHSJUNDLSCV-MBJXGIAVSA-N 1 3 315.439 -0.481 20 0 DBADHO CC(C)N1CCN(CC[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC001251036168 834490138 /nfs/dbraw/zinc/49/01/38/834490138.db2.gz AABYORCPOPEIPQ-MRXNPFEDSA-N 1 3 314.474 -0.705 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194009965 834557446 /nfs/dbraw/zinc/55/74/46/834557446.db2.gz HBOAJTMHLSUVCB-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194009965 834557451 /nfs/dbraw/zinc/55/74/51/834557451.db2.gz HBOAJTMHLSUVCB-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)(C)[NH2+]C[C@@H](O)CNCCC(=O)NCCc1cnc[nH]1 ZINC001253408037 834569536 /nfs/dbraw/zinc/56/95/36/834569536.db2.gz STMQXKICLUNAOC-ZDUSSCGKSA-N 1 3 311.430 -0.203 20 0 DBADHO CCOC(=O)CN1CCC(N2CCN(CCC[NH3+])CC2)CC1 ZINC001254395981 834597212 /nfs/dbraw/zinc/59/72/12/834597212.db2.gz HFBFMXJFQMLUMO-UHFFFAOYSA-N 1 3 312.458 -0.020 20 0 DBADHO O=S1(=O)CCN(CCNC2CC[NH+](C3CC3)CC2)CC1 ZINC001256070974 834620376 /nfs/dbraw/zinc/62/03/76/834620376.db2.gz JSJKUNVWSAWQHQ-UHFFFAOYSA-N 1 3 301.456 -0.067 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001197536161 834880232 /nfs/dbraw/zinc/88/02/32/834880232.db2.gz MNUNZDNWTXGAIC-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001197536161 834880244 /nfs/dbraw/zinc/88/02/44/834880244.db2.gz MNUNZDNWTXGAIC-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO O=C(NCC[NH2+]CCO)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001197618128 834884581 /nfs/dbraw/zinc/88/45/81/834884581.db2.gz XFELZKYUYGKVCE-OAHLLOKOSA-N 1 3 307.394 -0.435 20 0 DBADHO [NH3+]CC1(NC(=O)c2ccc(CN3CC[C@@H](O)C3)cc2)COC1 ZINC001197621059 834886767 /nfs/dbraw/zinc/88/67/67/834886767.db2.gz UTNOCXWSHCZXAP-CQSZACIVSA-N 1 3 305.378 -0.289 20 0 DBADHO C[C@H]1CN2CCN1C[C@H]2C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001263206735 834976445 /nfs/dbraw/zinc/97/64/45/834976445.db2.gz HLDLSLIHGKUSSR-HOTGVXAUSA-N 1 3 323.485 -0.434 20 0 DBADHO C[NH+]1CCC(C(=O)NCCCN2CCN(CCO)CC2)CC1 ZINC001265249737 835114937 /nfs/dbraw/zinc/11/49/37/835114937.db2.gz QPDOUSMUZYULET-UHFFFAOYSA-N 1 3 312.458 -0.556 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCCN2CCN(CCCO)CC2)C1 ZINC001265254710 835116041 /nfs/dbraw/zinc/11/60/41/835116041.db2.gz XAPXRWMUYBSDOT-OAHLLOKOSA-N 1 3 312.458 -0.556 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCCN2CCN(CCCO)CC2)C1 ZINC001265254710 835116046 /nfs/dbraw/zinc/11/60/46/835116046.db2.gz XAPXRWMUYBSDOT-OAHLLOKOSA-N 1 3 312.458 -0.556 20 0 DBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001200657971 835144375 /nfs/dbraw/zinc/14/43/75/835144375.db2.gz FWFVEMUNGKWRLN-UONOGXRCSA-N 1 3 324.425 -0.824 20 0 DBADHO C[NH+](C)[C@@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)C1CC1 ZINC001200689050 835145803 /nfs/dbraw/zinc/14/58/03/835145803.db2.gz ZHTBYSOTWFYOEZ-GXTWGEPZSA-N 1 3 312.414 -0.981 20 0 DBADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1)N(C)C ZINC001200794837 835152449 /nfs/dbraw/zinc/15/24/49/835152449.db2.gz FZPZVWOSKTWBRF-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(N)=O ZINC001201319053 835182824 /nfs/dbraw/zinc/18/28/24/835182824.db2.gz RHTXXHMWSIVBIZ-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335716 835183375 /nfs/dbraw/zinc/18/33/75/835183375.db2.gz QCYNWGYMUHFZFR-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001201412194 835189581 /nfs/dbraw/zinc/18/95/81/835189581.db2.gz WXELJYHDXHUBRK-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001201679325 835202442 /nfs/dbraw/zinc/20/24/42/835202442.db2.gz VVWWPVHGSBNUJF-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001201679078 835202950 /nfs/dbraw/zinc/20/29/50/835202950.db2.gz SGDPIKWRLWGMJA-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCCS(C)(=O)=O)C1)N(C)C ZINC001265939938 835204207 /nfs/dbraw/zinc/20/42/07/835204207.db2.gz CYJMIDLOGRJERN-STQMWFEESA-N 1 3 319.471 -0.048 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001201864648 835215251 /nfs/dbraw/zinc/21/52/51/835215251.db2.gz YFGUMCUZZZWGOP-OLZOCXBDSA-N 1 3 312.414 -0.979 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001201864648 835215255 /nfs/dbraw/zinc/21/52/55/835215255.db2.gz YFGUMCUZZZWGOP-OLZOCXBDSA-N 1 3 312.414 -0.979 20 0 DBADHO C[C@H](NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871159 835216540 /nfs/dbraw/zinc/21/65/40/835216540.db2.gz GTYPLSRHRUBTBA-QWHCGFSZSA-N 1 3 324.425 -0.837 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NCCCN2CCN(CCO)CC2)C1 ZINC001266275887 835261663 /nfs/dbraw/zinc/26/16/63/835261663.db2.gz QBDXZVQFERCXBD-OAHLLOKOSA-N 1 3 312.458 -0.556 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NCCCN2CCN(CCO)CC2)C1 ZINC001266275887 835261669 /nfs/dbraw/zinc/26/16/69/835261669.db2.gz QBDXZVQFERCXBD-OAHLLOKOSA-N 1 3 312.458 -0.556 20 0 DBADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+]CC(N)=O)C12CCC2)C1CCC1 ZINC001203035759 835279940 /nfs/dbraw/zinc/27/99/40/835279940.db2.gz GYQOQWFLIZNCMV-CHWSQXEVSA-N 1 3 308.426 -0.027 20 0 DBADHO CN(CCNCC(=O)NC(N)=O)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266730892 835370546 /nfs/dbraw/zinc/37/05/46/835370546.db2.gz JXRKUWRKKCTGKY-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CN(CCNCC(=O)NC(N)=O)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001266730892 835370552 /nfs/dbraw/zinc/37/05/52/835370552.db2.gz JXRKUWRKKCTGKY-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206411531 835397397 /nfs/dbraw/zinc/39/73/97/835397397.db2.gz UFBCROSCLMPIRA-NSHDSACASA-N 1 3 307.398 -0.085 20 0 DBADHO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@@H]1CCCN1C ZINC001267354956 835492786 /nfs/dbraw/zinc/49/27/86/835492786.db2.gz CUAZETYFJCBFQM-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001267387044 835500300 /nfs/dbraw/zinc/50/03/00/835500300.db2.gz DHJRSYUERKSRDA-YPMHNXCESA-N 1 3 312.414 -0.574 20 0 DBADHO CN(CCNCC(=O)N1CCOCC1)C(=O)CCC[NH+](C)C ZINC001267418965 835507624 /nfs/dbraw/zinc/50/76/24/835507624.db2.gz GIACXOFRUASGLJ-UHFFFAOYSA-N 1 3 314.430 -0.765 20 0 DBADHO CN(CCNCC(=O)NCC1CC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267456390 835517601 /nfs/dbraw/zinc/51/76/01/835517601.db2.gz VTCIRHKQGICPJU-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CCNCC(=O)NCC1CC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267456390 835517606 /nfs/dbraw/zinc/51/76/06/835517606.db2.gz VTCIRHKQGICPJU-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001268078285 835629186 /nfs/dbraw/zinc/62/91/86/835629186.db2.gz CRZMQKMELKNZOL-NWDGAFQWSA-N 1 3 320.459 -0.934 20 0 DBADHO C[NH+](C)CC1(C(=O)NC/C=C/CN[C@H]2CCCNC2=O)CC1 ZINC001268583842 835742824 /nfs/dbraw/zinc/74/28/24/835742824.db2.gz WEVMTYIWHZWJLY-OOPCZODUSA-N 1 3 308.426 -0.131 20 0 DBADHO CC(C)[C@H](C(=O)NC/C=C\CNCC(=O)NC(N)=O)[NH+](C)C ZINC001268616570 835756429 /nfs/dbraw/zinc/75/64/29/835756429.db2.gz NRPVJQCFTPKUOL-FOQNGQEVSA-N 1 3 313.402 -0.971 20 0 DBADHO CN(C)C1(C(=O)N(C)CCC[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001268797505 835809139 /nfs/dbraw/zinc/80/91/39/835809139.db2.gz QBPBOTKFIRYIGO-GFCCVEGCSA-N 1 3 324.425 -0.286 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001268799395 835810552 /nfs/dbraw/zinc/81/05/52/835810552.db2.gz XXOJMYGDVYNFLO-LBPRGKRZSA-N 1 3 315.418 -0.794 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001485924161 1013434174 /nfs/dbraw/zinc/43/41/74/1013434174.db2.gz UYHBYRWFCILLMH-OLZOCXBDSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCc2ccnn2C)C1 ZINC001486033528 1013596608 /nfs/dbraw/zinc/59/66/08/1013596608.db2.gz ITEURANVCGCYLV-KGLIPLIRSA-N 1 3 323.441 -0.629 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001486283393 1013784861 /nfs/dbraw/zinc/78/48/61/1013784861.db2.gz WOWAEUIJISWFOM-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001486283393 1013784868 /nfs/dbraw/zinc/78/48/68/1013784868.db2.gz WOWAEUIJISWFOM-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CC(C)(C)[C@H](CNCC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001486397264 1013835140 /nfs/dbraw/zinc/83/51/40/1013835140.db2.gz LIHQNMXKJKDCNS-OLZOCXBDSA-N 1 3 310.442 -0.066 20 0 DBADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001487217075 1013962202 /nfs/dbraw/zinc/96/22/02/1013962202.db2.gz GVKXSTXNNMBSKV-NSHDSACASA-N 1 3 307.398 -0.133 20 0 DBADHO CC[N@@H+]1CC[C@H](NC[C@@]23COCCN2C(=O)COC3)[C@@H](C)C1 ZINC000866554665 977408131 /nfs/dbraw/zinc/40/81/31/977408131.db2.gz ISHVSMOGYYEYNB-DZKIICNBSA-N 1 3 311.426 -0.066 20 0 DBADHO CC[N@H+]1CC[C@H](NC[C@@]23COCCN2C(=O)COC3)[C@@H](C)C1 ZINC000866554665 977408136 /nfs/dbraw/zinc/40/81/36/977408136.db2.gz ISHVSMOGYYEYNB-DZKIICNBSA-N 1 3 311.426 -0.066 20 0 DBADHO Cn1cc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051931087 977563941 /nfs/dbraw/zinc/56/39/41/977563941.db2.gz SUGIIVASVJCLMS-GJZGRUSLSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051931087 977563950 /nfs/dbraw/zinc/56/39/50/977563950.db2.gz SUGIIVASVJCLMS-GJZGRUSLSA-N 1 3 321.425 -0.311 20 0 DBADHO CC(=O)N1CCOC[C@]2(CN(CC3CC[NH2+]CC3)CCO2)C1 ZINC001207435339 978197609 /nfs/dbraw/zinc/19/76/09/978197609.db2.gz LSGPKWROFLOCOU-INIZCTEOSA-N 1 3 311.426 -0.064 20 0 DBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208055690 978314324 /nfs/dbraw/zinc/31/43/24/978314324.db2.gz CDTXBGPPAPNJPJ-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208063426 978316472 /nfs/dbraw/zinc/31/64/72/978316472.db2.gz NEGJFBKDMJRACT-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335648 978347441 /nfs/dbraw/zinc/34/74/41/978347441.db2.gz XGWHHPRSEYNBPD-DZGCQCFKSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001208414209 978362901 /nfs/dbraw/zinc/36/29/01/978362901.db2.gz KKVODQWAFWAAGW-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001208414148 978363154 /nfs/dbraw/zinc/36/31/54/978363154.db2.gz IORSFYVASWITQF-BFHYXJOUSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208432008 978366180 /nfs/dbraw/zinc/36/61/80/978366180.db2.gz HNOUUCWCCFDCML-HZSPNIEDSA-N 1 3 313.442 -0.228 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC001208432290 978367079 /nfs/dbraw/zinc/36/70/79/978367079.db2.gz VWJRTAREQAADMF-ZIAGYGMSSA-N 1 3 313.442 -0.226 20 0 DBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CCCO)C1 ZINC001208638974 978397261 /nfs/dbraw/zinc/39/72/61/978397261.db2.gz NBLCCJLEAPZGLE-GWUWNPHMSA-N 1 3 323.437 -0.187 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001209642021 978468447 /nfs/dbraw/zinc/46/84/47/978468447.db2.gz KXTLAYADXUXONP-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001210217349 978503204 /nfs/dbraw/zinc/50/32/04/978503204.db2.gz HQCKJFRIOKCRLQ-CHWSQXEVSA-N 1 3 324.425 -0.286 20 0 DBADHO O=C(CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)NC1CC1 ZINC001210673246 978525613 /nfs/dbraw/zinc/52/56/13/978525613.db2.gz ARMKARHBFFFPBT-CQSZACIVSA-N 1 3 320.437 -0.059 20 0 DBADHO C[C@@H](N[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(N)=O ZINC001210685030 978528134 /nfs/dbraw/zinc/52/81/34/978528134.db2.gz LUBHJIGIMWZFBB-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO C[NH+](C)Cc1ccc(-c2noc([C@H](CO)NC(=O)CN)n2)cc1 ZINC001211956153 978598013 /nfs/dbraw/zinc/59/80/13/978598013.db2.gz MUHMSSRAIDFOGX-LBPRGKRZSA-N 1 3 319.365 -0.094 20 0 DBADHO CO[C@@H]1CN(CCC[C@@H](C)O)C[C@H]1NC(=O)CC[NH+](C)C ZINC001213378244 978672426 /nfs/dbraw/zinc/67/24/26/978672426.db2.gz IQJVBHDCETXGRY-MGPQQGTHSA-N 1 3 301.431 -0.086 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001215057001 978760431 /nfs/dbraw/zinc/76/04/31/978760431.db2.gz RUUXKANQVMWKCZ-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396902 978768416 /nfs/dbraw/zinc/76/84/16/978768416.db2.gz IYSSPNWNQNMOCJ-ZOBORPQBSA-N 1 3 310.442 -0.101 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[C@H]1C ZINC001215396902 978768420 /nfs/dbraw/zinc/76/84/20/978768420.db2.gz IYSSPNWNQNMOCJ-ZOBORPQBSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1N[C@@H]1CCNC1=O ZINC001215416012 978769583 /nfs/dbraw/zinc/76/95/83/978769583.db2.gz MMXAQBVWHAVSCO-JHJVBQTASA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001216754104 978793235 /nfs/dbraw/zinc/79/32/35/978793235.db2.gz HQXOAZNPTOLSGQ-BPLDGKMQSA-N 1 3 322.453 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001216754104 978793240 /nfs/dbraw/zinc/79/32/40/978793240.db2.gz HQXOAZNPTOLSGQ-BPLDGKMQSA-N 1 3 322.453 -0.099 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CCC[NH2+]C1 ZINC001217962017 978819067 /nfs/dbraw/zinc/81/90/67/978819067.db2.gz MXYWPQLDUGYMLG-SECBINFHSA-N 1 3 324.381 -0.109 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CCO[C@@]23CC[NH2+]C3)cc1 ZINC001218137764 978820449 /nfs/dbraw/zinc/82/04/49/978820449.db2.gz RIOWWBKJCZNENX-SQWLQELKSA-N 1 3 305.378 -0.059 20 0 DBADHO O=C(Nc1n[nH]cc1Br)[C@H]1C[NH2+]CC12CNC2 ZINC001218509639 978825033 /nfs/dbraw/zinc/82/50/33/978825033.db2.gz WCRBQHSCQUKVEF-ZCFIWIBFSA-N 1 3 300.160 -0.080 20 0 DBADHO CCOC(=O)c1cc(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)[nH]n1 ZINC001218508823 978825719 /nfs/dbraw/zinc/82/57/19/978825719.db2.gz DSBQJOBQSWETFE-JTQLQIEISA-N 1 3 324.385 -0.725 20 0 DBADHO CN1CCN(c2ncccc2NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001218555554 978831215 /nfs/dbraw/zinc/83/12/15/978831215.db2.gz IOESQAHYLMQZPM-LBPRGKRZSA-N 1 3 306.414 -0.162 20 0 DBADHO O=C(Nc1nccnc1N1CCOCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218571594 978832866 /nfs/dbraw/zinc/83/28/66/978832866.db2.gz XZSMKEJLZWHYEA-NSHDSACASA-N 1 3 318.381 -0.939 20 0 DBADHO O=C(Nc1cnn(C2CCOCC2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218589371 978835627 /nfs/dbraw/zinc/83/56/27/978835627.db2.gz YSAARGGTUVIYSM-ZDUSSCGKSA-N 1 3 305.382 -0.018 20 0 DBADHO O=C(Nc1cccnc1OC1COC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218618104 978836325 /nfs/dbraw/zinc/83/63/25/978836325.db2.gz NQVJTLHCFXPJEZ-NSHDSACASA-N 1 3 304.350 -0.393 20 0 DBADHO CCOC(=O)c1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n(C)n1 ZINC001218637014 978839223 /nfs/dbraw/zinc/83/92/23/978839223.db2.gz NGDVGHXITWWPMS-MEBBXXQBSA-N 1 3 321.381 -0.266 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001218669529 978842019 /nfs/dbraw/zinc/84/20/19/978842019.db2.gz RZUUOXOMXXXSLB-AWEZNQCLSA-N 1 3 324.429 -0.390 20 0 DBADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@H]3CNCCN3)cn2)CC1 ZINC001218724882 978848440 /nfs/dbraw/zinc/84/84/40/978848440.db2.gz OETYVCRVFLAKCY-CYBMUJFWSA-N 1 3 304.398 -0.491 20 0 DBADHO COCCOc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)ccn1 ZINC001218806890 978854062 /nfs/dbraw/zinc/85/40/62/978854062.db2.gz IFZGAFIZHPYVMN-LBPRGKRZSA-N 1 3 306.366 -0.146 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001218873116 978856157 /nfs/dbraw/zinc/85/61/57/978856157.db2.gz GAMAOSNNTCPTAC-CYBMUJFWSA-N 1 3 305.382 -0.373 20 0 DBADHO CN1C(=O)Cc2cc(NC(=O)[C@@H]3C[NH2+]CC34CNC4)ccc21 ZINC001219020952 978864749 /nfs/dbraw/zinc/86/47/49/978864749.db2.gz TWPIYZFGIVLXRA-LBPRGKRZSA-N 1 3 300.362 -0.047 20 0 DBADHO O=C(Nc1cccc2c1CC(=O)NC2)[C@@H]1C[NH2+]CC12CNC2 ZINC001219369732 978924750 /nfs/dbraw/zinc/92/47/50/978924750.db2.gz NLAVNXWFGDRHGU-LBPRGKRZSA-N 1 3 300.362 -0.394 20 0 DBADHO CN1CCNC[C@@H]1C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219540535 978960793 /nfs/dbraw/zinc/96/07/93/978960793.db2.gz HEDZUJDCQKLOAK-MPKXVKKWSA-N 1 3 302.378 -0.024 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741826 979005611 /nfs/dbraw/zinc/00/56/11/979005611.db2.gz VNRUCFOPLRVGDW-OLZOCXBDSA-N 1 3 307.398 -0.303 20 0 DBADHO N[C@@H](Cc1cnc[nH]1)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741826 979005617 /nfs/dbraw/zinc/00/56/17/979005617.db2.gz VNRUCFOPLRVGDW-OLZOCXBDSA-N 1 3 307.398 -0.303 20 0 DBADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1nc2c(s1)CNCC2 ZINC001219769656 979010408 /nfs/dbraw/zinc/01/04/08/979010408.db2.gz YSAICYKQJMDILU-MNOVXSKESA-N 1 3 321.450 -0.188 20 0 DBADHO N[C@H]1CCCCN(CC(=O)NC2CC3(C2)CC[NH2+]CC3)C1=O ZINC001219777844 979013005 /nfs/dbraw/zinc/01/30/05/979013005.db2.gz RYNGSWZFZFTMSD-ZDUSSCGKSA-N 1 3 308.426 -0.025 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219788941 979014905 /nfs/dbraw/zinc/01/49/05/979014905.db2.gz SRPUVJOMKKPSBK-TZMCWYRMSA-N 1 3 322.409 -0.006 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788939 979015161 /nfs/dbraw/zinc/01/51/61/979015161.db2.gz SRPUVJOMKKPSBK-JSGCOSHPSA-N 1 3 322.409 -0.006 20 0 DBADHO C[C@]1(C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)COCCN1 ZINC001219796153 979017232 /nfs/dbraw/zinc/01/72/32/979017232.db2.gz ORBJPOYRDAEHTI-MRXNPFEDSA-N 1 3 310.442 -0.303 20 0 DBADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@H]1CNCc2ccnn2C1 ZINC001219801419 979019193 /nfs/dbraw/zinc/01/91/93/979019193.db2.gz ZIYBOHFCDGKWFM-STQMWFEESA-N 1 3 319.409 -0.513 20 0 DBADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001219813608 979023666 /nfs/dbraw/zinc/02/36/66/979023666.db2.gz WWHCUGXEFPIVNM-VRKREXBASA-N 1 3 309.410 -0.503 20 0 DBADHO NC1(C(=O)NC[C@]23C[NH2+]C[C@H]2COC3)Cc2ccccc2C1 ZINC001219813177 979024062 /nfs/dbraw/zinc/02/40/62/979024062.db2.gz PPXAMMPTMFEHCS-HOCLYGCPSA-N 1 3 301.390 -0.165 20 0 DBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CNCc2ccsc21 ZINC001219825257 979025931 /nfs/dbraw/zinc/02/59/31/979025931.db2.gz GFZINVDMBNGKQK-OLZOCXBDSA-N 1 3 323.466 -0.241 20 0 DBADHO O=C(NC[C@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@@H](F)CCN1 ZINC001219834019 979027851 /nfs/dbraw/zinc/02/78/51/979027851.db2.gz NRCVNMOUVFMLCA-ABHRYQDASA-N 1 3 315.389 -0.412 20 0 DBADHO NCc1ccc(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)cn1 ZINC001219844542 979029015 /nfs/dbraw/zinc/02/90/15/979029015.db2.gz NSIFCWMGHNMCFW-BLLLJJGKSA-N 1 3 320.393 -0.335 20 0 DBADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CNCc2ccnn2C1 ZINC001219849532 979030823 /nfs/dbraw/zinc/03/08/23/979030823.db2.gz CLZWDEMNIVOJFC-MYZSUADSSA-N 1 3 319.409 -0.657 20 0 DBADHO COC(=O)[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc(O)cc1 ZINC001219885256 979038243 /nfs/dbraw/zinc/03/82/43/979038243.db2.gz MIQQWNGDJPGLGY-CHWSQXEVSA-N 1 3 319.361 -0.469 20 0 DBADHO O=C(NC[C@H](O)COc1ccccc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219918021 979042154 /nfs/dbraw/zinc/04/21/54/979042154.db2.gz CABOVFPFCJIUGR-JKIFEVAISA-N 1 3 319.405 -0.258 20 0 DBADHO COc1ccc(CCNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc1O ZINC001219910236 979043881 /nfs/dbraw/zinc/04/38/81/979043881.db2.gz UURQVKGXHLRSCR-LBPRGKRZSA-N 1 3 305.378 -0.132 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCNC(=O)c1ccncc1 ZINC001219936616 979046162 /nfs/dbraw/zinc/04/61/62/979046162.db2.gz MKUFGEGYNAZANA-AWEZNQCLSA-N 1 3 321.425 -0.013 20 0 DBADHO O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1COC2(CNC2)CN1 ZINC001219951968 979050392 /nfs/dbraw/zinc/05/03/92/979050392.db2.gz JLRTXARBCUTBLL-AWEZNQCLSA-N 1 3 310.442 -0.255 20 0 DBADHO COC(=O)C1(NC(=O)C[C@@H]2CCNC[C@@H]2F)CC[NH2+]CC1 ZINC001220001197 979058901 /nfs/dbraw/zinc/05/89/01/979058901.db2.gz LDNKOHLXRBRSDO-QWRGUYRKSA-N 1 3 301.362 -0.265 20 0 DBADHO CCOC(=O)c1nnc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)o1 ZINC001220010907 979062810 /nfs/dbraw/zinc/06/28/10/979062810.db2.gz MCVBNXDFGICUAH-JTQLQIEISA-N 1 3 311.342 -0.811 20 0 DBADHO COC(=O)c1ccnc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001220037575 979070812 /nfs/dbraw/zinc/07/08/12/979070812.db2.gz GJEHWGNFRLDBLL-ZDUSSCGKSA-N 1 3 306.366 -0.189 20 0 DBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1[nH]nc2ccccc21 ZINC001220047036 979076634 /nfs/dbraw/zinc/07/66/34/979076634.db2.gz OBMIUOIIUKGMGJ-CYBMUJFWSA-N 1 3 316.409 -0.071 20 0 DBADHO O=C(Nc1cc(=O)[nH]c(=O)n1C1CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220066090 979083261 /nfs/dbraw/zinc/08/32/61/979083261.db2.gz PNUSKYQTVIWDHW-RFAUZJTJSA-N 1 3 319.365 -0.579 20 0 DBADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220089050 979088773 /nfs/dbraw/zinc/08/87/73/979088773.db2.gz YVTGNGZNGGZNRZ-MNOVXSKESA-N 1 3 313.398 -0.732 20 0 DBADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220089051 979090465 /nfs/dbraw/zinc/09/04/65/979090465.db2.gz YVTGNGZNGGZNRZ-QWRGUYRKSA-N 1 3 313.398 -0.732 20 0 DBADHO Cc1ncc(CO)c(CNC(=O)[C@@H](N)CSCC[NH3+])c1O ZINC001220093283 979092572 /nfs/dbraw/zinc/09/25/72/979092572.db2.gz WTFVTTWEOQFRTN-NSHDSACASA-N 1 3 314.411 -0.777 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H](CO)Cc1ccc(O)cc1 ZINC001220117190 979100566 /nfs/dbraw/zinc/10/05/66/979100566.db2.gz BVNWZFCAIBQXEQ-YPMHNXCESA-N 1 3 313.423 -0.569 20 0 DBADHO N[C@H](C(=O)N[C@@H](CO)Cc1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220117276 979101788 /nfs/dbraw/zinc/10/17/88/979101788.db2.gz FRZOJMUBVVJPRT-HIFRSBDPSA-N 1 3 307.394 -0.261 20 0 DBADHO N[C@@H](C(=O)N[C@@H](CO)Cc1ccc(O)cc1)C1CC[NH2+]CC1 ZINC001220117277 979102645 /nfs/dbraw/zinc/10/26/45/979102645.db2.gz FRZOJMUBVVJPRT-UKRRQHHQSA-N 1 3 307.394 -0.261 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+]CC23CNC3)[C@H](C)OC1 ZINC001220138886 979108046 /nfs/dbraw/zinc/10/80/46/979108046.db2.gz JRBPHIFXSFNGLH-GXSJLCMTSA-N 1 3 309.366 -0.853 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@H](N)C2CC[NH2+]CC2)[C@@H](C)OC1 ZINC001220139350 979109580 /nfs/dbraw/zinc/10/95/80/979109580.db2.gz QSYWFKNOOLTIPB-BXKDBHETSA-N 1 3 311.382 -0.335 20 0 DBADHO O=C(NCCC1CCS(=O)(=O)CC1)[C@H]1C[NH2+]CC12CNC2 ZINC001220140914 979110118 /nfs/dbraw/zinc/11/01/18/979110118.db2.gz DBXOTTQOPLCCHZ-GFCCVEGCSA-N 1 3 315.439 -0.874 20 0 DBADHO N[C@@H](C(=O)NC1CC2(C1)CS(=O)(=O)C2)C1CC[NH2+]CC1 ZINC001220143452 979113837 /nfs/dbraw/zinc/11/38/37/979113837.db2.gz ITSUQQDDUNKEEH-LLVKDONJSA-N 1 3 301.412 -0.993 20 0 DBADHO COc1ccnc(C(=N)NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001220183453 979127310 /nfs/dbraw/zinc/12/73/10/979127310.db2.gz PQQLQXUJTQEDMS-YMTOWFKASA-N 1 3 304.354 -0.874 20 0 DBADHO N[C@H](C(=O)NCCNC(=O)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001220286685 979157497 /nfs/dbraw/zinc/15/74/97/979157497.db2.gz ONSHWJYQENNNJE-AWEZNQCLSA-N 1 3 322.384 -0.001 20 0 DBADHO NC(=[NH2+])NCCCCC(=O)NCc1ncn2c1CNCCC2 ZINC001220313932 979161421 /nfs/dbraw/zinc/16/14/21/979161421.db2.gz ZBZDXVDKFKBBAS-UHFFFAOYSA-N 1 3 307.402 -0.354 20 0 DBADHO O=C(C[C@H]1C[C@H]2C[NH2+]C[C@H]2O1)NCc1ncn2c1CNCCC2 ZINC001220311924 979161680 /nfs/dbraw/zinc/16/16/80/979161680.db2.gz UCLOSXWTQFWAGQ-YWPYICTPSA-N 1 3 319.409 -0.240 20 0 DBADHO O=C(NCc1ncn2c1C[NH2+]CCC2)c1[nH]nc2c1CNCC2 ZINC001220313752 979162680 /nfs/dbraw/zinc/16/26/80/979162680.db2.gz UMJLDOLDDBXJSA-UHFFFAOYSA-N 1 3 315.381 -0.325 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220317549 979164067 /nfs/dbraw/zinc/16/40/67/979164067.db2.gz ZWNVMMKSBGFEDP-OSAQELSMSA-N 1 3 307.398 -0.683 20 0 DBADHO NCc1ccc2c(n1)N(C(=O)[C@]13C[NH2+]C[C@@H]1CCN3)CCC2 ZINC001220377074 979179263 /nfs/dbraw/zinc/17/92/63/979179263.db2.gz JCZVFCFRIDMNMT-LRDDRELGSA-N 1 3 301.394 -0.229 20 0 DBADHO O=C(NC[C@H](CO)Cc1ccccc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220405843 979192278 /nfs/dbraw/zinc/19/22/78/979192278.db2.gz DVXOZTFCIBDWHO-CABCVRRESA-N 1 3 303.406 -0.237 20 0 DBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NC1CCN(CCF)CC1 ZINC001220435479 979200133 /nfs/dbraw/zinc/20/01/33/979200133.db2.gz IGSSXWGXFIBMTH-CQSZACIVSA-N 1 3 315.437 -0.713 20 0 DBADHO CSc1nc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cc(=O)n1C ZINC001220435489 979200353 /nfs/dbraw/zinc/20/03/53/979200353.db2.gz IMXQUTVNBVVCKF-QMMMGPOBSA-N 1 3 309.395 -0.750 20 0 DBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)O1 ZINC001220481943 979211190 /nfs/dbraw/zinc/21/11/90/979211190.db2.gz WSUZWWLNEPWQGA-FMCLSXCISA-N 1 3 311.386 -0.880 20 0 DBADHO CCOc1ccc(C[C@H](N)C(=O)NCCN(C)CC[NH3+])cc1 ZINC001220515959 979219337 /nfs/dbraw/zinc/21/93/37/979219337.db2.gz MSSQKEGIFJMXOX-HNNXBMFYSA-N 1 3 308.426 -0.038 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CCNC1 ZINC001220521777 979224513 /nfs/dbraw/zinc/22/45/13/979224513.db2.gz OJPXLBSKSWEXNY-BONVTDFDSA-N 1 3 309.366 -0.851 20 0 DBADHO CCOCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755162 979274779 /nfs/dbraw/zinc/27/47/79/979274779.db2.gz FLCIPATURJCTIF-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO CCOCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755162 979274786 /nfs/dbraw/zinc/27/47/86/979274786.db2.gz FLCIPATURJCTIF-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO COC(=O)c1cncc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001220843206 979303429 /nfs/dbraw/zinc/30/34/29/979303429.db2.gz NQWHAHFZLYPZFR-LBPRGKRZSA-N 1 3 304.350 -0.707 20 0 DBADHO O=C(NCCc1c[nH]c2ccncc12)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220866425 979309505 /nfs/dbraw/zinc/30/95/05/979309505.db2.gz YVVNWODBMMNCSW-AWEZNQCLSA-N 1 3 315.377 -0.448 20 0 DBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@@H]1C[NH2+]CCN1 ZINC001220926681 979325087 /nfs/dbraw/zinc/32/50/87/979325087.db2.gz WATTVRYAZJFQDW-INIZCTEOSA-N 1 3 317.437 -0.029 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)NCCO[C@@H]2CC[NH2+]C2)cn1 ZINC001220936090 979328938 /nfs/dbraw/zinc/32/89/38/979328938.db2.gz CGIFWQUYBBSERL-OLZOCXBDSA-N 1 3 308.382 -0.025 20 0 DBADHO CC(=O)NCCCC[C@H](N)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937776 979333368 /nfs/dbraw/zinc/33/33/68/979333368.db2.gz ZWNRMRPUPVCFSR-OLZOCXBDSA-N 1 3 300.403 -0.885 20 0 DBADHO O=C(CNC(=O)[C@H]1C[NH2+]CC12CNC2)NCc1ccc(F)cc1 ZINC001220939170 979334429 /nfs/dbraw/zinc/33/44/29/979334429.db2.gz IXPAGNUNBWJHGC-CYBMUJFWSA-N 1 3 320.368 -0.633 20 0 DBADHO O=C(NCc1cnn(CC(F)(F)F)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001220973434 979337204 /nfs/dbraw/zinc/33/72/04/979337204.db2.gz WJARGLPGFWBANO-SNVBAGLBSA-N 1 3 317.315 -0.129 20 0 DBADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@H](N)CCC[NH3+])CC1 ZINC001221007068 979347560 /nfs/dbraw/zinc/34/75/60/979347560.db2.gz ULTZKXHSFSTVKS-IJLUTSLNSA-N 1 3 300.403 -0.757 20 0 DBADHO COc1cc(C)[nH]c(=O)c1CNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221015616 979348461 /nfs/dbraw/zinc/34/84/61/979348461.db2.gz MQHOUCKFXZEVQW-BDJLRTHQSA-N 1 3 320.393 -0.080 20 0 DBADHO COc1cccc(CNC(=O)CNC(=O)[C@@H](N)CCCC[NH3+])c1 ZINC001221060571 979355590 /nfs/dbraw/zinc/35/55/90/979355590.db2.gz FOXRLVPUAATBEB-AWEZNQCLSA-N 1 3 322.409 -0.116 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124063 979369092 /nfs/dbraw/zinc/36/90/92/979369092.db2.gz URSNUPNVKKQLCH-XMHCIUCPSA-N 1 3 324.450 -0.128 20 0 DBADHO COCCOc1nccc(CNC(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001221157799 979375435 /nfs/dbraw/zinc/37/54/35/979375435.db2.gz NRCJOSBNRNZLQK-LBPRGKRZSA-N 1 3 311.386 -0.426 20 0 DBADHO COC(=O)[C@H](CCC[NH3+])NC(=O)[C@@H](N)CCCCNC(C)=O ZINC001221190287 979380150 /nfs/dbraw/zinc/38/01/50/979380150.db2.gz HVNPHAGKFCZVFY-RYUDHWBXSA-N 1 3 316.402 -0.983 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc2c(c1)CC(=O)N2 ZINC001221298523 979398025 /nfs/dbraw/zinc/39/80/25/979398025.db2.gz RIFPJCVBKVAEBH-NSHDSACASA-N 1 3 308.407 -0.183 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)C1=NO[C@@H]2C[NH2+]C[C@H]12 ZINC001221396855 979415661 /nfs/dbraw/zinc/41/56/61/979415661.db2.gz DADAKDGKUFEWDE-MELADBBJSA-N 1 3 300.362 -0.209 20 0 DBADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H](N)CCCNC(N)=O)c1 ZINC001221406503 979418103 /nfs/dbraw/zinc/41/81/03/979418103.db2.gz RWUDEBYYHMMWHX-QWHCGFSZSA-N 1 3 323.397 -0.413 20 0 DBADHO O=C1CN(C[C@@H]2Cc3ccccc3CN2)[C@@]2(CC[NH2+]C2)CN1 ZINC001222373991 979508952 /nfs/dbraw/zinc/50/89/52/979508952.db2.gz ODAMUJQSMZZVMX-DOTOQJQBSA-N 1 3 300.406 -0.135 20 0 DBADHO COC(=O)[C@@H]1CNCCN1Cc1ccc(N2CC[NH2+]CC2)nc1 ZINC001222422692 979512770 /nfs/dbraw/zinc/51/27/70/979512770.db2.gz XGGGWLQARIRJJF-AWEZNQCLSA-N 1 3 319.409 -0.562 20 0 DBADHO CC[C@H](C(=O)NC1CC[NH+](CCOCCO)CC1)N(C)C ZINC001227979421 979668263 /nfs/dbraw/zinc/66/82/63/979668263.db2.gz FVBQJWOKEFJFTI-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC001331197965 979865894 /nfs/dbraw/zinc/86/58/94/979865894.db2.gz SFKVATYYSPFROE-HZSPNIEDSA-N 1 3 308.426 -0.073 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001347087150 980196386 /nfs/dbraw/zinc/19/63/86/980196386.db2.gz ULZCLHMDTMRUAT-KGLIPLIRSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001353526908 980807798 /nfs/dbraw/zinc/80/77/98/980807798.db2.gz QASNNDWBFZAPOX-BARDWOONSA-N 1 3 322.453 -0.099 20 0 DBADHO COCCC[NH+]1CCC(NC[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001356102520 980926079 /nfs/dbraw/zinc/92/60/79/980926079.db2.gz ZBCMGBBBEZSIOC-HOTGVXAUSA-N 1 3 316.442 -0.021 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001357145060 981038517 /nfs/dbraw/zinc/03/85/17/981038517.db2.gz MCXFKCTWMNBJHN-OAHLLOKOSA-N 1 3 324.469 -0.101 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001530518101 1014725672 /nfs/dbraw/zinc/72/56/72/1014725672.db2.gz NFUGMCFNHWTNJF-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CCn1nccc1C(=O)N1CC(N[C@@H]2CCOC2)C1 ZINC001362991238 982052254 /nfs/dbraw/zinc/05/22/54/982052254.db2.gz MRVWZZUNVTUZLV-GFCCVEGCSA-N 1 3 307.398 -0.352 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)cn1 ZINC001363539820 982496126 /nfs/dbraw/zinc/49/61/26/982496126.db2.gz NSYAKWSGLJLFTL-LSDHHAIUSA-N 1 3 321.425 -0.274 20 0 DBADHO Cn1nncc1CNCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001365454395 983392273 /nfs/dbraw/zinc/39/22/73/983392273.db2.gz QVDJZRCSBLZSMD-UHFFFAOYSA-N 1 3 308.430 -0.299 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)CC1 ZINC001366097117 983691004 /nfs/dbraw/zinc/69/10/04/983691004.db2.gz DGKGTKGTTMEIPG-LBPRGKRZSA-N 1 3 317.455 -0.437 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001366235831 983750970 /nfs/dbraw/zinc/75/09/70/983750970.db2.gz WXRIXONUBSHDIK-SEBNEYGDSA-N 1 3 322.453 -0.102 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001366235831 983750980 /nfs/dbraw/zinc/75/09/80/983750980.db2.gz WXRIXONUBSHDIK-SEBNEYGDSA-N 1 3 322.453 -0.102 20 0 DBADHO CCCNC(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366272323 983766413 /nfs/dbraw/zinc/76/64/13/983766413.db2.gz DTCDAQLIEUYZML-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001366348649 983808568 /nfs/dbraw/zinc/80/85/68/983808568.db2.gz WOCSLACUJBFKQI-GFCCVEGCSA-N 1 3 314.430 -0.720 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001366353256 983809362 /nfs/dbraw/zinc/80/93/62/983809362.db2.gz OWCVRWCPWUVTCN-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001366404128 983825140 /nfs/dbraw/zinc/82/51/40/983825140.db2.gz DOURHXMEMAUXRY-IHRRRGAJSA-N 1 3 301.431 -0.228 20 0 DBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001366594326 983870935 /nfs/dbraw/zinc/87/09/35/983870935.db2.gz YEQQKMPZWLKGCW-AWEZNQCLSA-N 1 3 306.410 -0.115 20 0 DBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001366594326 983870941 /nfs/dbraw/zinc/87/09/41/983870941.db2.gz YEQQKMPZWLKGCW-AWEZNQCLSA-N 1 3 306.410 -0.115 20 0 DBADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366855306 984023500 /nfs/dbraw/zinc/02/35/00/984023500.db2.gz TYMFXEHVOAIBSE-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366855306 984023509 /nfs/dbraw/zinc/02/35/09/984023509.db2.gz TYMFXEHVOAIBSE-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001367033215 984154419 /nfs/dbraw/zinc/15/44/19/984154419.db2.gz OGUDVLWWHDJHKX-XQLPTFJDSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001367033215 984154438 /nfs/dbraw/zinc/15/44/38/984154438.db2.gz OGUDVLWWHDJHKX-XQLPTFJDSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(N)=O ZINC001367124427 984195415 /nfs/dbraw/zinc/19/54/15/984195415.db2.gz FGEXQWGIYVNJSU-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(N)=O ZINC001367124429 984195754 /nfs/dbraw/zinc/19/57/54/984195754.db2.gz FGEXQWGIYVNJSU-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CNC(=O)CNC[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001367200290 984212091 /nfs/dbraw/zinc/21/20/91/984212091.db2.gz SOGRFBAVVOWNLU-MLGOLLRUSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367200290 984212098 /nfs/dbraw/zinc/21/20/98/984212098.db2.gz SOGRFBAVVOWNLU-MLGOLLRUSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001367364135 984287184 /nfs/dbraw/zinc/28/71/84/984287184.db2.gz IAVKMDIZLRPBAK-GHMZBOCLSA-N 1 3 315.418 -0.781 20 0 DBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001367404223 984299805 /nfs/dbraw/zinc/29/98/05/984299805.db2.gz SUDGZSNSYCYWSD-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NC)C1 ZINC001367554267 984346547 /nfs/dbraw/zinc/34/65/47/984346547.db2.gz JJJUKOSCARHJHG-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CCN2CC(=O)NC)C1 ZINC001367554267 984346551 /nfs/dbraw/zinc/34/65/51/984346551.db2.gz JJJUKOSCARHJHG-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001367558412 984349692 /nfs/dbraw/zinc/34/96/92/984349692.db2.gz ZDYAYKKKDNNBNI-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cn1 ZINC001367595869 984409677 /nfs/dbraw/zinc/40/96/77/984409677.db2.gz VUAMAIVDLOQOSH-GJZGRUSLSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)CC[C@@H]2CCC[N@H+]2C)cn1 ZINC001367595869 984409684 /nfs/dbraw/zinc/40/96/84/984409684.db2.gz VUAMAIVDLOQOSH-GJZGRUSLSA-N 1 3 323.441 -0.139 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001367618413 984473766 /nfs/dbraw/zinc/47/37/66/984473766.db2.gz NVJUXRLEBDFMLU-VXGBXAGGSA-N 1 3 316.446 -0.835 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001367644015 984504686 /nfs/dbraw/zinc/50/46/86/984504686.db2.gz BOQFEIXKFVCIJE-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001367889504 984758534 /nfs/dbraw/zinc/75/85/34/984758534.db2.gz UKUAUJSBRNCRIZ-BNOWGMLFSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@@H](CNCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001367889504 984758572 /nfs/dbraw/zinc/75/85/72/984758572.db2.gz UKUAUJSBRNCRIZ-BNOWGMLFSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001368104098 984873295 /nfs/dbraw/zinc/87/32/95/984873295.db2.gz AOAWLTHDOGGBCV-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001368113296 984877241 /nfs/dbraw/zinc/87/72/41/984877241.db2.gz BXXCKURFCKOBQT-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO Cn1nncc1CNCC1(NC(=O)CC[NH+](C)C)CCOCC1 ZINC001368636130 985323809 /nfs/dbraw/zinc/32/38/09/985323809.db2.gz PGDBGURPXLEDOB-UHFFFAOYSA-N 1 3 324.429 -0.478 20 0 DBADHO C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NCC(=O)N(C)C ZINC001368647022 985328594 /nfs/dbraw/zinc/32/85/94/985328594.db2.gz ABQMQLWUBQQUOH-JSGCOSHPSA-N 1 3 310.442 -0.147 20 0 DBADHO COC[C@@H](O)CN1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001369093790 985713688 /nfs/dbraw/zinc/71/36/88/985713688.db2.gz UNWJPPAFWSETMQ-DOMZBBRYSA-N 1 3 313.442 -0.228 20 0 DBADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](C[C@@H](O)COC)C1)N(C)C ZINC001369094794 985719839 /nfs/dbraw/zinc/71/98/39/985719839.db2.gz PWSINUYDHBSVAM-YUTCNCBUSA-N 1 3 301.431 -0.230 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001369182868 985800442 /nfs/dbraw/zinc/80/04/42/985800442.db2.gz VOIPVBSWCYPTQN-XUXIUFHCSA-N 1 3 310.442 -0.055 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001490927749 1015163944 /nfs/dbraw/zinc/16/39/44/1015163944.db2.gz BCMPOYGFNCRMNQ-AVGNSLFASA-N 1 3 311.430 -0.411 20 0 DBADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001369282743 985842376 /nfs/dbraw/zinc/84/23/76/985842376.db2.gz GHURUHRRHGDDIT-GHMZBOCLSA-N 1 3 315.418 -0.781 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)[NH+](C)C ZINC001369291991 985846298 /nfs/dbraw/zinc/84/62/98/985846298.db2.gz JQXGRMJUDPUGJG-PWSUYJOCSA-N 1 3 315.418 -0.796 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2cncn2C)CC[N@@H+]1C ZINC001369464970 986132667 /nfs/dbraw/zinc/13/26/67/986132667.db2.gz FLFLTEARTLUAFT-VHDGCEQUSA-N 1 3 323.441 -0.331 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2cncn2C)CC[N@H+]1C ZINC001369464970 986132691 /nfs/dbraw/zinc/13/26/91/986132691.db2.gz FLFLTEARTLUAFT-VHDGCEQUSA-N 1 3 323.441 -0.331 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369476043 986172369 /nfs/dbraw/zinc/17/23/69/986172369.db2.gz PZXUDXDAVPKIIL-CHWSQXEVSA-N 1 3 314.430 -0.999 20 0 DBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369476043 986172407 /nfs/dbraw/zinc/17/24/07/986172407.db2.gz PZXUDXDAVPKIIL-CHWSQXEVSA-N 1 3 314.430 -0.999 20 0 DBADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001491025492 1015197197 /nfs/dbraw/zinc/19/71/97/1015197197.db2.gz IRLIMVYFVCXKEH-MBNYWOFBSA-N 1 3 308.426 -0.062 20 0 DBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001369487878 986216083 /nfs/dbraw/zinc/21/60/83/986216083.db2.gz SPJJTSVNUKWXAS-GFCCVEGCSA-N 1 3 324.429 -0.636 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC(=O)NC ZINC001369492644 986225815 /nfs/dbraw/zinc/22/58/15/986225815.db2.gz WFASFPYMBCDOTK-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C[C@@H](O)C[N@H+](C)CCO)C(=O)C(C)(C)N1CCCCC1 ZINC001369512640 986258597 /nfs/dbraw/zinc/25/85/97/986258597.db2.gz XHYNBBMDGCDOML-AWEZNQCLSA-N 1 3 315.458 -0.006 20 0 DBADHO CN(C[C@@H](O)C[N@@H+](C)CCO)C(=O)C(C)(C)N1CCCCC1 ZINC001369512640 986258611 /nfs/dbraw/zinc/25/86/11/986258611.db2.gz XHYNBBMDGCDOML-AWEZNQCLSA-N 1 3 315.458 -0.006 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001370407173 986727344 /nfs/dbraw/zinc/72/73/44/986727344.db2.gz ZPGYVUFXVSJTIJ-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001370716396 986920375 /nfs/dbraw/zinc/92/03/75/986920375.db2.gz WMSCITFWRDXEGE-RFQIPJPRSA-N 1 3 301.431 -0.183 20 0 DBADHO C[NH+](C)CCC(=O)N1CCCC[C@@H]1CNCC(=O)NC(N)=O ZINC001370929640 987072980 /nfs/dbraw/zinc/07/29/80/987072980.db2.gz LSZILUOPGJTWDF-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21)N(C)C ZINC001371027534 987173466 /nfs/dbraw/zinc/17/34/66/987173466.db2.gz WLKKGIWYINJQRG-XPABHHOTSA-N 1 3 322.453 -0.006 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21)N(C)C ZINC001371027534 987173469 /nfs/dbraw/zinc/17/34/69/987173469.db2.gz WLKKGIWYINJQRG-XPABHHOTSA-N 1 3 322.453 -0.006 20 0 DBADHO C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001371365783 987329726 /nfs/dbraw/zinc/32/97/26/987329726.db2.gz RUBSKVLMZCNWFW-HZMBPMFUSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@@H](CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001371365783 987329731 /nfs/dbraw/zinc/32/97/31/987329731.db2.gz RUBSKVLMZCNWFW-HZMBPMFUSA-N 1 3 302.394 -0.222 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001371470135 987369801 /nfs/dbraw/zinc/36/98/01/987369801.db2.gz DJUASGYCFJMRJQ-OLZOCXBDSA-N 1 3 319.471 -0.144 20 0 DBADHO COC[C@@H](O)CN1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001372564785 987809001 /nfs/dbraw/zinc/80/90/01/987809001.db2.gz GKTLVIKKVRGBED-KBPBESRZSA-N 1 3 311.426 -0.330 20 0 DBADHO COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001372622727 987830975 /nfs/dbraw/zinc/83/09/75/987830975.db2.gz DUCMKVUCJMPGDJ-UKRRQHHQSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001372622727 987830977 /nfs/dbraw/zinc/83/09/77/987830977.db2.gz DUCMKVUCJMPGDJ-UKRRQHHQSA-N 1 3 313.442 -0.084 20 0 DBADHO CNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001373001837 988031926 /nfs/dbraw/zinc/03/19/26/988031926.db2.gz ZUIYWFCDJODNPO-LLVKDONJSA-N 1 3 307.398 -0.085 20 0 DBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001373821745 988644363 /nfs/dbraw/zinc/64/43/63/988644363.db2.gz PABVROBBTURUEG-STQMWFEESA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001373821745 988644373 /nfs/dbraw/zinc/64/43/73/988644373.db2.gz PABVROBBTURUEG-STQMWFEESA-N 1 3 319.471 -0.143 20 0 DBADHO NC(=O)CNC[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001373963530 988692682 /nfs/dbraw/zinc/69/26/82/988692682.db2.gz KQYBFFYEVXNSJB-CYBMUJFWSA-N 1 3 308.426 -0.072 20 0 DBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]Cc1cnnn1C ZINC001374083390 988771220 /nfs/dbraw/zinc/77/12/20/988771220.db2.gz ZUBBHDMZJCNZPM-STQMWFEESA-N 1 3 308.430 -0.001 20 0 DBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cnnn1C ZINC001374083381 988772114 /nfs/dbraw/zinc/77/21/14/988772114.db2.gz ZUBBHDMZJCNZPM-CHWSQXEVSA-N 1 3 308.430 -0.001 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)CC[C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001374618293 989033602 /nfs/dbraw/zinc/03/36/02/989033602.db2.gz XOJPMWODXDJTQG-QWHCGFSZSA-N 1 3 324.429 -0.446 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001374618293 989033617 /nfs/dbraw/zinc/03/36/17/989033617.db2.gz XOJPMWODXDJTQG-QWHCGFSZSA-N 1 3 324.429 -0.446 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001374640904 989071111 /nfs/dbraw/zinc/07/11/11/989071111.db2.gz HYJOYZHWFAZVRB-HNNXBMFYSA-N 1 3 323.441 -0.363 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCc1cncn1C)[NH+](C)C ZINC001374645827 989076922 /nfs/dbraw/zinc/07/69/22/989076922.db2.gz JWUZDIQUZJGSPO-ZIAGYGMSSA-N 1 3 311.430 -0.427 20 0 DBADHO C[C@@H]([NH2+]C[C@H](O)CNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001374686259 989140274 /nfs/dbraw/zinc/14/02/74/989140274.db2.gz SPTHMESKWSAYTA-RISCZKNCSA-N 1 3 322.409 -0.698 20 0 DBADHO CCN(CC)CC(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001374836840 989251217 /nfs/dbraw/zinc/25/12/17/989251217.db2.gz MFZUVVFWMFQXRP-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CCN(CC)CC(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001374836840 989251225 /nfs/dbraw/zinc/25/12/25/989251225.db2.gz MFZUVVFWMFQXRP-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001374849459 989263475 /nfs/dbraw/zinc/26/34/75/989263475.db2.gz NCJAEACHQYEAKU-CHWSQXEVSA-N 1 3 319.471 -0.144 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001375273850 989523953 /nfs/dbraw/zinc/52/39/53/989523953.db2.gz TXFYGCKDRTZARH-MNOVXSKESA-N 1 3 313.402 -0.994 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](N(CCO)CCO)C2)C1 ZINC001375624842 989697653 /nfs/dbraw/zinc/69/76/53/989697653.db2.gz ZMKRDCMRDUYFQU-HUUCEWRRSA-N 1 3 313.442 -0.394 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H](N(CCO)CCO)C2)C1 ZINC001375624842 989697660 /nfs/dbraw/zinc/69/76/60/989697660.db2.gz ZMKRDCMRDUYFQU-HUUCEWRRSA-N 1 3 313.442 -0.394 20 0 DBADHO COC[C@H](O)CN1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001375852100 989819264 /nfs/dbraw/zinc/81/92/64/989819264.db2.gz VQGHHCXSQFNGGL-UKRRQHHQSA-N 1 3 311.426 -0.330 20 0 DBADHO C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)N1CCCCCC1 ZINC001376080266 989870219 /nfs/dbraw/zinc/87/02/19/989870219.db2.gz JUWKWRNLJYCSSE-HOCLYGCPSA-N 1 3 313.442 -0.204 20 0 DBADHO C[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)N1CCCCCC1 ZINC001376080266 989870227 /nfs/dbraw/zinc/87/02/27/989870227.db2.gz JUWKWRNLJYCSSE-HOCLYGCPSA-N 1 3 313.442 -0.204 20 0 DBADHO COCCN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001376084722 989875119 /nfs/dbraw/zinc/87/51/19/989875119.db2.gz WSGZIGURWJNFPU-OFQRWUPVSA-N 1 3 313.442 -0.084 20 0 DBADHO COCCN1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001376084722 989875120 /nfs/dbraw/zinc/87/51/20/989875120.db2.gz WSGZIGURWJNFPU-OFQRWUPVSA-N 1 3 313.442 -0.084 20 0 DBADHO Cn1cc(CN2CC[C@@](O)(CNC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001376090663 989877348 /nfs/dbraw/zinc/87/73/48/989877348.db2.gz FWEOBIGLDCGCPG-MRXNPFEDSA-N 1 3 321.425 -0.431 20 0 DBADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376343241 990027516 /nfs/dbraw/zinc/02/75/16/990027516.db2.gz JWRNHLKIHPSORS-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001376346233 990029078 /nfs/dbraw/zinc/02/90/78/990029078.db2.gz QMMDISULXCNGNJ-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001376346233 990029086 /nfs/dbraw/zinc/02/90/86/990029086.db2.gz QMMDISULXCNGNJ-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001376346230 990029433 /nfs/dbraw/zinc/02/94/33/990029433.db2.gz QMMDISULXCNGNJ-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001376346230 990029444 /nfs/dbraw/zinc/02/94/44/990029444.db2.gz QMMDISULXCNGNJ-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C[NH2+]CC(N)=O ZINC001376355650 990032594 /nfs/dbraw/zinc/03/25/94/990032594.db2.gz AHSVCKLFFQZCIR-KBPBESRZSA-N 1 3 310.442 -0.112 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001376386792 990043443 /nfs/dbraw/zinc/04/34/43/990043443.db2.gz BJNXMONLYGGRDD-IHRRRGAJSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001376386792 990043452 /nfs/dbraw/zinc/04/34/52/990043452.db2.gz BJNXMONLYGGRDD-IHRRRGAJSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](O)CN1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001376504626 990125712 /nfs/dbraw/zinc/12/57/12/990125712.db2.gz WLJBURUBSALBKF-CJNGLKHVSA-N 1 3 311.426 -0.594 20 0 DBADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001376821973 990334159 /nfs/dbraw/zinc/33/41/59/990334159.db2.gz SCFYDCCTOWBXDZ-NEPJUHHUSA-N 1 3 324.429 -0.713 20 0 DBADHO C[C@@H](NC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1)C(N)=O ZINC001376838657 990341937 /nfs/dbraw/zinc/34/19/37/990341937.db2.gz HTOXHJMHYSDYOG-OLZOCXBDSA-N 1 3 324.425 -0.694 20 0 DBADHO C[C@@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]CCS(C)(=O)=O ZINC001377013080 990416534 /nfs/dbraw/zinc/41/65/34/990416534.db2.gz LFSKQJBWPYGVCV-NWDGAFQWSA-N 1 3 305.444 -0.390 20 0 DBADHO C[C@H](CCNC(=O)[C@H]1CCCN1C)[NH2+]CCS(C)(=O)=O ZINC001377013084 990416598 /nfs/dbraw/zinc/41/65/98/990416598.db2.gz LFSKQJBWPYGVCV-VXGBXAGGSA-N 1 3 305.444 -0.390 20 0 DBADHO C[C@@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]CCS(C)(=O)=O ZINC001377013082 990417065 /nfs/dbraw/zinc/41/70/65/990417065.db2.gz LFSKQJBWPYGVCV-RYUDHWBXSA-N 1 3 305.444 -0.390 20 0 DBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377577497 990663017 /nfs/dbraw/zinc/66/30/17/990663017.db2.gz MYBKNXZBECBDAZ-KBPBESRZSA-N 1 3 308.426 -0.345 20 0 DBADHO COC[C@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001377775214 990728177 /nfs/dbraw/zinc/72/81/77/990728177.db2.gz UYEGNVOCOICUCP-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001377775214 990728183 /nfs/dbraw/zinc/72/81/83/990728183.db2.gz UYEGNVOCOICUCP-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO C[C@@H](NC(=O)CN(C)C1CCC1)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001377806202 990740406 /nfs/dbraw/zinc/74/04/06/990740406.db2.gz LJSZPBTYAPQBGW-NXEZZACHSA-N 1 3 313.402 -0.852 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001377878267 990769927 /nfs/dbraw/zinc/76/99/27/990769927.db2.gz UCOUBHUGMPDREC-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(N)=O ZINC001377878267 990769930 /nfs/dbraw/zinc/76/99/30/990769930.db2.gz UCOUBHUGMPDREC-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001377999316 990822131 /nfs/dbraw/zinc/82/21/31/990822131.db2.gz VHJPFAJODMOQLQ-OAHLLOKOSA-N 1 3 313.442 -0.226 20 0 DBADHO CN1CCNC[C@@H]1C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC001548558099 1015595058 /nfs/dbraw/zinc/59/50/58/1015595058.db2.gz MVUMTVHWTMLHPN-CYBMUJFWSA-N 1 3 305.382 -0.783 20 0 DBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCN(C)C1=O ZINC001378315382 990928158 /nfs/dbraw/zinc/92/81/58/990928158.db2.gz HWRQUHZJTIXLDE-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001378753787 991145568 /nfs/dbraw/zinc/14/55/68/991145568.db2.gz PROFNRSLCYBQEE-XQLPTFJDSA-N 1 3 322.453 -0.101 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001378753787 991145588 /nfs/dbraw/zinc/14/55/88/991145588.db2.gz PROFNRSLCYBQEE-XQLPTFJDSA-N 1 3 322.453 -0.101 20 0 DBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001378871266 991224894 /nfs/dbraw/zinc/22/48/94/991224894.db2.gz GEOAHMSZJMRUNI-KBPBESRZSA-N 1 3 310.442 -0.066 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001379008954 991273233 /nfs/dbraw/zinc/27/32/33/991273233.db2.gz DYHMVPYJLZORHC-MRVWCRGKSA-N 1 3 310.442 -0.101 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379008954 991273245 /nfs/dbraw/zinc/27/32/45/991273245.db2.gz DYHMVPYJLZORHC-MRVWCRGKSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001379133752 991349451 /nfs/dbraw/zinc/34/94/51/991349451.db2.gz SKWLJBBRMNJJRN-NWDGAFQWSA-N 1 3 324.429 -0.631 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001379135726 991349477 /nfs/dbraw/zinc/34/94/77/991349477.db2.gz WPNBQFYTFCFLDQ-JSGCOSHPSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379257670 991487550 /nfs/dbraw/zinc/48/75/50/991487550.db2.gz KETUXLFFUSGALR-KBPBESRZSA-N 1 3 324.425 -0.708 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)s1 ZINC001379280611 991511411 /nfs/dbraw/zinc/51/14/11/991511411.db2.gz DPDPNERFDNZPEL-NWDGAFQWSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)s1 ZINC001379280611 991511423 /nfs/dbraw/zinc/51/14/23/991511423.db2.gz DPDPNERFDNZPEL-NWDGAFQWSA-N 1 3 312.439 -0.030 20 0 DBADHO CCN(C)C(=O)CN[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379282362 991513359 /nfs/dbraw/zinc/51/33/59/991513359.db2.gz ZWUIETGVMVXVME-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379327965 991550557 /nfs/dbraw/zinc/55/05/57/991550557.db2.gz MFXSQBQRRWQRJN-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379327965 991550570 /nfs/dbraw/zinc/55/05/70/991550570.db2.gz MFXSQBQRRWQRJN-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491843100 1015649804 /nfs/dbraw/zinc/64/98/04/1015649804.db2.gz IXNPYDOXPYPIOE-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001379476474 991704132 /nfs/dbraw/zinc/70/41/32/991704132.db2.gz REJJGYJRXRHMNR-UHFFFAOYSA-N 1 3 319.409 -0.037 20 0 DBADHO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001379477410 991706668 /nfs/dbraw/zinc/70/66/68/991706668.db2.gz YHXYTQYGDKMTKG-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379508689 991747953 /nfs/dbraw/zinc/74/79/53/991747953.db2.gz IDVGKLBKSGQAOH-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CNCC(=O)NC(N)=O ZINC001379508689 991747960 /nfs/dbraw/zinc/74/79/60/991747960.db2.gz IDVGKLBKSGQAOH-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C ZINC001379522088 991759836 /nfs/dbraw/zinc/75/98/36/991759836.db2.gz LUBHIFIAOSEBHV-GARJFASQSA-N 1 3 315.418 -0.735 20 0 DBADHO CN(C[C@H](O)CN[C@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001379819129 991935316 /nfs/dbraw/zinc/93/53/16/991935316.db2.gz DZEDVRCPPQPLAM-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1 ZINC001379822083 991938011 /nfs/dbraw/zinc/93/80/11/991938011.db2.gz ZCYRQQFXKSDLNL-OLZOCXBDSA-N 1 3 314.430 -0.997 20 0 DBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1 ZINC001379822083 991938021 /nfs/dbraw/zinc/93/80/21/991938021.db2.gz ZCYRQQFXKSDLNL-OLZOCXBDSA-N 1 3 314.430 -0.997 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cncn2C)C1 ZINC001379834677 991948859 /nfs/dbraw/zinc/94/88/59/991948859.db2.gz MPADJIOBBVKWKQ-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001379854831 991975446 /nfs/dbraw/zinc/97/54/46/991975446.db2.gz JYZNKIDJDQRYPM-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@@H]1CCCNC1=O ZINC001379854831 991975464 /nfs/dbraw/zinc/97/54/64/991975464.db2.gz JYZNKIDJDQRYPM-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC001549047308 1015698613 /nfs/dbraw/zinc/69/86/13/1015698613.db2.gz OMEKFOQQAOWDBY-CHWSQXEVSA-N 1 3 308.386 -0.721 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)C2)nn1 ZINC001549047260 1015699290 /nfs/dbraw/zinc/69/92/90/1015699290.db2.gz MIGUIHKKDGVWCH-UMVBOHGHSA-N 1 3 304.398 -0.100 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC001549047309 1015699367 /nfs/dbraw/zinc/69/93/67/1015699367.db2.gz OMEKFOQQAOWDBY-OLZOCXBDSA-N 1 3 308.386 -0.721 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001380427589 992314315 /nfs/dbraw/zinc/31/43/15/992314315.db2.gz YJZXAQCNYBGNET-OAHLLOKOSA-N 1 3 307.398 -0.131 20 0 DBADHO Cn1nccc1CCN1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380558161 992394176 /nfs/dbraw/zinc/39/41/76/992394176.db2.gz YIVSVGBTZIODLG-MRXNPFEDSA-N 1 3 323.441 -0.533 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)C2)nn1 ZINC001549124770 1015705368 /nfs/dbraw/zinc/70/53/68/1015705368.db2.gz RQTGRDUJLZMSDT-UXIGCNINSA-N 1 3 320.397 -0.864 20 0 DBADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001496978980 1017161530 /nfs/dbraw/zinc/16/15/30/1017161530.db2.gz MPGRQWRNLMCIMZ-ADEWGFFLSA-N 1 3 310.402 -0.980 20 0 DBADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001496978980 1017161537 /nfs/dbraw/zinc/16/15/37/1017161537.db2.gz MPGRQWRNLMCIMZ-ADEWGFFLSA-N 1 3 310.402 -0.980 20 0 DBADHO Cn1nccc1[C@H]1[C@@H](NC[C@@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1C ZINC001549284007 1015715679 /nfs/dbraw/zinc/71/56/79/1015715679.db2.gz ADRWURBTCJNWSD-SLEUVZQESA-N 1 3 319.409 -0.198 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001380907629 992583911 /nfs/dbraw/zinc/58/39/11/992583911.db2.gz AAGUYLKCTBQIRG-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001380909135 992584292 /nfs/dbraw/zinc/58/42/92/992584292.db2.gz LJQQZCBKEQKKTF-QWHCGFSZSA-N 1 3 312.414 -0.837 20 0 DBADHO C[N@H+]1CCC[C@H]1CCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001380909135 992584298 /nfs/dbraw/zinc/58/42/98/992584298.db2.gz LJQQZCBKEQKKTF-QWHCGFSZSA-N 1 3 312.414 -0.837 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2CC(C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001381332091 992761691 /nfs/dbraw/zinc/76/16/91/992761691.db2.gz BBLSYORRFRUFBA-IYXRBSQSSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)NC(=O)CN[C@@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001381418885 992795967 /nfs/dbraw/zinc/79/59/67/992795967.db2.gz KOKQVSUREZLSHX-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001381781802 992881466 /nfs/dbraw/zinc/88/14/66/992881466.db2.gz BOIKQSVPAVQLGW-IUODEOHRSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)C1C[NH+](C[C@@H](O)COC)C1)N(C)C ZINC001381796300 992885132 /nfs/dbraw/zinc/88/51/32/992885132.db2.gz PWSINUYDHBSVAM-MRVWCRGKSA-N 1 3 301.431 -0.230 20 0 DBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H](CN[C@@H]1CCNC1=O)C1CC1 ZINC001382030522 992962216 /nfs/dbraw/zinc/96/22/16/992962216.db2.gz IONUYQNXTCKLBU-KGLIPLIRSA-N 1 3 320.437 -0.203 20 0 DBADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001382319641 993146832 /nfs/dbraw/zinc/14/68/32/993146832.db2.gz WGYFUPNHDZGXSL-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO O=C(C[C@@H]1CNCCO1)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001549728450 1015763639 /nfs/dbraw/zinc/76/36/39/1015763639.db2.gz QBDDNZXQBPKVDQ-DVOMOZLQSA-N 1 3 324.425 -0.872 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cncn1C)N(C)C ZINC001382429024 993244283 /nfs/dbraw/zinc/24/42/83/993244283.db2.gz BNSVRYDLFLUHTF-KGLIPLIRSA-N 1 3 311.430 -0.331 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382436588 993252519 /nfs/dbraw/zinc/25/25/19/993252519.db2.gz AGGGQQPZFSZMKW-JSGCOSHPSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382436588 993252526 /nfs/dbraw/zinc/25/25/26/993252526.db2.gz AGGGQQPZFSZMKW-JSGCOSHPSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382436589 993253663 /nfs/dbraw/zinc/25/36/63/993253663.db2.gz AGGGQQPZFSZMKW-OCCSQVGLSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382436589 993253675 /nfs/dbraw/zinc/25/36/75/993253675.db2.gz AGGGQQPZFSZMKW-OCCSQVGLSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382438087 993255804 /nfs/dbraw/zinc/25/58/04/993255804.db2.gz DHFHQKAGIXULHX-JSGCOSHPSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382438087 993255812 /nfs/dbraw/zinc/25/58/12/993255812.db2.gz DHFHQKAGIXULHX-JSGCOSHPSA-N 1 3 309.414 -0.719 20 0 DBADHO COCCN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[C@H](C)O ZINC001382537154 993338572 /nfs/dbraw/zinc/33/85/72/993338572.db2.gz ODKUQNXUXHYUBN-DZGCQCFKSA-N 1 3 313.442 -0.226 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550063261 1015783318 /nfs/dbraw/zinc/78/33/18/1015783318.db2.gz LPFVHVSXLQBRPZ-KCQAQPDRSA-N 1 3 322.413 -0.333 20 0 DBADHO N[C@H](Cc1ccccc1)C(=O)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550088953 1015788608 /nfs/dbraw/zinc/78/86/08/1015788608.db2.gz ZCWHVYWERIYJDL-LSDHHAIUSA-N 1 3 314.393 -0.001 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CC23CC[NH2+]CC3)CC1=O ZINC001550089995 1015788858 /nfs/dbraw/zinc/78/88/58/1015788858.db2.gz ZIDIPLKMLBXGPO-KBPBESRZSA-N 1 3 322.453 -0.098 20 0 DBADHO NCc1cn([C@H]2CCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)nn1 ZINC001550096266 1015792260 /nfs/dbraw/zinc/79/22/60/1015792260.db2.gz ILHUEOBLKZEAAI-QWRGUYRKSA-N 1 3 314.340 -0.245 20 0 DBADHO Cn1ncc(CN)c1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550113290 1015793429 /nfs/dbraw/zinc/79/34/29/1015793429.db2.gz HIVSEMSQUAJOHT-LBPRGKRZSA-N 1 3 307.398 -0.233 20 0 DBADHO N[C@@H]1CN(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C23CCC3)C[C@@H]1[NH3+] ZINC001550271433 1015801418 /nfs/dbraw/zinc/80/14/18/1015801418.db2.gz PNCOEHORAAXMOQ-RQJABVFESA-N 1 3 323.441 -0.690 20 0 DBADHO N[C@H]1CN(C(=O)N[C@@H]2C[C@H](N3CCOCC3)C23CCC3)C[C@H]1[NH3+] ZINC001550271433 1015801421 /nfs/dbraw/zinc/80/14/21/1015801421.db2.gz PNCOEHORAAXMOQ-RQJABVFESA-N 1 3 323.441 -0.690 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001550323893 1015801683 /nfs/dbraw/zinc/80/16/83/1015801683.db2.gz AJRLITNNJDBOQL-GJZGRUSLSA-N 1 3 309.410 -0.625 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC001550200331 1015798982 /nfs/dbraw/zinc/79/89/82/1015798982.db2.gz IBJSNDZAIMOCBP-ZDUSSCGKSA-N 1 3 308.426 -0.072 20 0 DBADHO Cn1nccc1[C@@H]1[C@@H](NC[C@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1C ZINC001550436763 1015805482 /nfs/dbraw/zinc/80/54/82/1015805482.db2.gz PITIDOJZQRFNGD-XUJVJEKNSA-N 1 3 319.409 -0.340 20 0 DBADHO O=S(=O)(N[C@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCNCC1 ZINC001550440025 1015806731 /nfs/dbraw/zinc/80/67/31/1015806731.db2.gz LFUKOKHLSOPNKZ-KBPBESRZSA-N 1 3 310.423 -0.518 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN([C@@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC001550438015 1015806769 /nfs/dbraw/zinc/80/67/69/1015806769.db2.gz MPXZYVLOLWCFTE-MJBXVCDLSA-N 1 3 310.442 -0.357 20 0 DBADHO CN1[C@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@H]2C[C@H]1CO ZINC001550732042 1015811398 /nfs/dbraw/zinc/81/13/98/1015811398.db2.gz DUANXRRNEOBTKR-RFGFWPKPSA-N 1 3 312.414 -0.929 20 0 DBADHO CN1[C@H]2CN(C(=O)NC[C@H]3C[NH2+]CCCO3)C[C@H]2C[C@H]1CO ZINC001550732043 1015811777 /nfs/dbraw/zinc/81/17/77/1015811777.db2.gz DUANXRRNEOBTKR-RQJABVFESA-N 1 3 312.414 -0.929 20 0 DBADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CCNCC3)C[C@@H]2C1 ZINC001551392463 1015819693 /nfs/dbraw/zinc/81/96/93/1015819693.db2.gz QJUSSUBUQXVPOO-HZSPNIEDSA-N 1 3 316.471 -0.202 20 0 DBADHO CN(C[C@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)CC[NH+](C)C ZINC001384421260 994131284 /nfs/dbraw/zinc/13/12/84/994131284.db2.gz GNHXUNUUAIDPGR-CYBMUJFWSA-N 1 3 307.398 -0.037 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H](C)NC[C@@H]2C)nn1 ZINC001552161083 1015843844 /nfs/dbraw/zinc/84/38/44/1015843844.db2.gz JNEULMPXMHKOCI-CIQGVGRVSA-N 1 3 322.413 -0.811 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NC[C@H]2CCCN2C)nn1 ZINC001552168574 1015844638 /nfs/dbraw/zinc/84/46/38/1015844638.db2.gz CPSHZVDMSSMNJV-MBNYWOFBSA-N 1 3 322.413 -0.810 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC1(NC(=O)CC[NH+](C)C)CC1 ZINC001400645410 994271684 /nfs/dbraw/zinc/27/16/84/994271684.db2.gz SAZJBXMVLVTWJF-UHFFFAOYSA-N 1 3 307.398 -0.023 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)n1 ZINC001552214377 1015849392 /nfs/dbraw/zinc/84/93/92/1015849392.db2.gz MJDVIEIGIQTFEC-ZUZCIYMTSA-N 1 3 320.397 -0.089 20 0 DBADHO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001552249707 1015851183 /nfs/dbraw/zinc/85/11/83/1015851183.db2.gz PMCLDHGJLNUQSP-UHTWSYAYSA-N 1 3 307.402 -0.166 20 0 DBADHO CN1CCN(C2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3COC4)CC2)CC1 ZINC001552259534 1015851470 /nfs/dbraw/zinc/85/14/70/1015851470.db2.gz MIJQBOXLRCAHTH-RHSMWYFYSA-N 1 3 322.453 -0.539 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)[C@@H]2CCN(C)C2)nn1 ZINC001552257193 1015851916 /nfs/dbraw/zinc/85/19/16/1015851916.db2.gz JOVKLNWDWVEMJZ-MBNYWOFBSA-N 1 3 322.413 -0.858 20 0 DBADHO Cc1c(C(=O)N2CCO[C@H](CN(C)C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552436646 1015860538 /nfs/dbraw/zinc/86/05/38/1015860538.db2.gz AJJVXFQBBFBNKQ-QWHCGFSZSA-N 1 3 322.413 -0.476 20 0 DBADHO O=C(NC[C@H]1CNCCO1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552440505 1015861638 /nfs/dbraw/zinc/86/16/38/1015861638.db2.gz CEZIDXFZIZJUHH-NWDGAFQWSA-N 1 3 308.386 -0.689 20 0 DBADHO C[C@@H](CN[C@@H]1CCNC1=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401238064 994491664 /nfs/dbraw/zinc/49/16/64/994491664.db2.gz XTKIDEJYIMUOQC-QWHCGFSZSA-N 1 3 308.426 -0.060 20 0 DBADHO CC1(N2CCOCC2)CCN(C(=O)N2C[C@H](N)[C@@H]([NH3+])C2)CC1 ZINC001552961245 1015871421 /nfs/dbraw/zinc/87/14/21/1015871421.db2.gz UQTIHFCJLHJAGQ-STQMWFEESA-N 1 3 311.430 -0.737 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2cncn2C)CC[N@@H+]1C ZINC001401495944 994596229 /nfs/dbraw/zinc/59/62/29/994596229.db2.gz CKHPNAZRQQDFKY-QLFBSQMISA-N 1 3 323.441 -0.283 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2cncn2C)CC[N@H+]1C ZINC001401495944 994596241 /nfs/dbraw/zinc/59/62/41/994596241.db2.gz CKHPNAZRQQDFKY-QLFBSQMISA-N 1 3 323.441 -0.283 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001401590750 994685878 /nfs/dbraw/zinc/68/58/78/994685878.db2.gz WUXOPEWVZJSLRQ-OCCSQVGLSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001401590750 994685883 /nfs/dbraw/zinc/68/58/83/994685883.db2.gz WUXOPEWVZJSLRQ-OCCSQVGLSA-N 1 3 309.414 -0.671 20 0 DBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001401680468 994751365 /nfs/dbraw/zinc/75/13/65/994751365.db2.gz MBLDONCKRRFFRY-RYUDHWBXSA-N 1 3 322.413 -0.959 20 0 DBADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001401702581 994767281 /nfs/dbraw/zinc/76/72/81/994767281.db2.gz BAFBQUNTQITKGZ-UWVGGRQHSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H](NC[C@H](C)NC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001401717646 994776973 /nfs/dbraw/zinc/77/69/73/994776973.db2.gz MOMZJXITQHYHLV-NWDGAFQWSA-N 1 3 308.426 -0.156 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553411038 1015890014 /nfs/dbraw/zinc/89/00/14/1015890014.db2.gz QRDIBYOVCVTONO-CBBWQLFWSA-N 1 3 310.442 -0.352 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H](CN[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001401853871 994829792 /nfs/dbraw/zinc/82/97/92/994829792.db2.gz YFNVAKNZIOWIJM-OLZOCXBDSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001401864132 994833952 /nfs/dbraw/zinc/83/39/52/994833952.db2.gz LFQXWLMDQJFSLS-OCCSQVGLSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001401864132 994833954 /nfs/dbraw/zinc/83/39/54/994833954.db2.gz LFQXWLMDQJFSLS-OCCSQVGLSA-N 1 3 308.426 -0.299 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001402005492 994881939 /nfs/dbraw/zinc/88/19/39/994881939.db2.gz WLEHDUBDRPTDDF-HOCLYGCPSA-N 1 3 322.409 -0.116 20 0 DBADHO COC[C@@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001402005492 994881948 /nfs/dbraw/zinc/88/19/48/994881948.db2.gz WLEHDUBDRPTDDF-HOCLYGCPSA-N 1 3 322.409 -0.116 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001402005485 994882054 /nfs/dbraw/zinc/88/20/54/994882054.db2.gz WLEHDUBDRPTDDF-GOEBONIOSA-N 1 3 322.409 -0.116 20 0 DBADHO COC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001402005485 994882056 /nfs/dbraw/zinc/88/20/56/994882056.db2.gz WLEHDUBDRPTDDF-GOEBONIOSA-N 1 3 322.409 -0.116 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001402342809 995093994 /nfs/dbraw/zinc/09/39/94/995093994.db2.gz KZOCJXFRZSYOAL-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)NC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001402377068 995115919 /nfs/dbraw/zinc/11/59/19/995115919.db2.gz OPKNUXFMPJUHFB-UONOGXRCSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001402377068 995115924 /nfs/dbraw/zinc/11/59/24/995115924.db2.gz OPKNUXFMPJUHFB-UONOGXRCSA-N 1 3 310.442 -0.053 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001402423907 995129870 /nfs/dbraw/zinc/12/98/70/995129870.db2.gz FUZFWPROWXBFGK-STQMWFEESA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402455955 995149371 /nfs/dbraw/zinc/14/93/71/995149371.db2.gz ASODNQVPDXWMNK-CZUORRHYSA-N 1 3 313.442 -0.348 20 0 DBADHO CC[C@@H](C(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCOCC1)N(C)C ZINC001402750162 995268301 /nfs/dbraw/zinc/26/83/01/995268301.db2.gz NHPZVPDWKBQVHR-NEPJUHHUSA-N 1 3 314.430 -0.545 20 0 DBADHO CC[N@H+](C)CCC(=O)NC1(CNCC(=O)NC)CCOCC1 ZINC001402752219 995270974 /nfs/dbraw/zinc/27/09/74/995270974.db2.gz VQFCZHSUSQYDDX-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC1(CNCC(=O)NC)CCOCC1 ZINC001402752219 995270982 /nfs/dbraw/zinc/27/09/82/995270982.db2.gz VQFCZHSUSQYDDX-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001402899532 995331084 /nfs/dbraw/zinc/33/10/84/995331084.db2.gz ZQDITIKJLAWNRV-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001402899532 995331087 /nfs/dbraw/zinc/33/10/87/995331087.db2.gz ZQDITIKJLAWNRV-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CCC[NH+](C)C ZINC001402982701 995367114 /nfs/dbraw/zinc/36/71/14/995367114.db2.gz OXJRSBHIOFTXSD-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(=O)NC ZINC001403046249 995388280 /nfs/dbraw/zinc/38/82/80/995388280.db2.gz VSXHWXLFAXZPFC-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@@H](C)NCC(=O)NC(=O)NC ZINC001403046249 995388293 /nfs/dbraw/zinc/38/82/93/995388293.db2.gz VSXHWXLFAXZPFC-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001403070458 995395553 /nfs/dbraw/zinc/39/55/53/995395553.db2.gz NUCVOJPNFKNDJI-AAEUAGOBSA-N 1 3 312.414 -0.920 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC001387780889 995480744 /nfs/dbraw/zinc/48/07/44/995480744.db2.gz QDRLVHARIQHRSD-HUUCEWRRSA-N 1 3 322.453 -0.005 20 0 DBADHO COC[C@@H](O)CN1CC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001403316237 995483612 /nfs/dbraw/zinc/48/36/12/995483612.db2.gz BDBOFBLXOIYULA-JSGCOSHPSA-N 1 3 311.426 -0.474 20 0 DBADHO COC[C@@H](O)CN1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403380652 995501639 /nfs/dbraw/zinc/50/16/39/995501639.db2.gz JPZBTNDONXACEB-STQMWFEESA-N 1 3 301.431 -0.228 20 0 DBADHO C[NH+]1CCC(OCC(=O)N[C@H]2CN(CCO)CC2(C)C)CC1 ZINC001403380838 995502301 /nfs/dbraw/zinc/50/23/01/995502301.db2.gz WAMWCPBOGBBVBS-AWEZNQCLSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001403390085 995505396 /nfs/dbraw/zinc/50/53/96/995505396.db2.gz FFXOOTIEBBNGSW-YIYPIFLZSA-N 1 3 310.442 -0.114 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001403420561 995517836 /nfs/dbraw/zinc/51/78/36/995517836.db2.gz SUBJATCCFMNAMO-YRGRVCCFSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H]1[C@H](NCCS(C)(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001403746607 995687393 /nfs/dbraw/zinc/68/73/93/995687393.db2.gz NEXAWVGTZCXYKL-VXGBXAGGSA-N 1 3 305.444 -0.438 20 0 DBADHO C[C@@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001403775868 995698526 /nfs/dbraw/zinc/69/85/26/995698526.db2.gz UJMHIDKOQQSJHW-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CN1CCCC1 ZINC001403780438 995701629 /nfs/dbraw/zinc/70/16/29/995701629.db2.gz RXJNVGITHFTMRM-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)C[C@H](O)COC ZINC001403786479 995702861 /nfs/dbraw/zinc/70/28/61/995702861.db2.gz JGSVBAIPBJVVOE-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H](O)COC ZINC001403786479 995702871 /nfs/dbraw/zinc/70/28/71/995702871.db2.gz JGSVBAIPBJVVOE-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001388599238 995714799 /nfs/dbraw/zinc/71/47/99/995714799.db2.gz JEKNXYXDAQDRCL-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C[C@H](O)C[NH2+]C[C@H]1CCOC1)C(=O)CN(C)C1CCC1 ZINC001403857030 995736463 /nfs/dbraw/zinc/73/64/63/995736463.db2.gz WYUXXAYSZUEKJO-UKRRQHHQSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001403862126 995739984 /nfs/dbraw/zinc/73/99/84/995739984.db2.gz NXLLVJOHKAYORI-STQMWFEESA-N 1 3 303.447 -0.246 20 0 DBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001404331896 995858039 /nfs/dbraw/zinc/85/80/39/995858039.db2.gz UODHKCFEDPVYDO-ZDUSSCGKSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001404351348 995862501 /nfs/dbraw/zinc/86/25/01/995862501.db2.gz MKZBBZHKWLONHM-NEPJUHHUSA-N 1 3 307.398 -0.133 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)C(=O)Cc1c[nH]cn1 ZINC001404351348 995862502 /nfs/dbraw/zinc/86/25/02/995862502.db2.gz MKZBBZHKWLONHM-NEPJUHHUSA-N 1 3 307.398 -0.133 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001389212970 995898120 /nfs/dbraw/zinc/89/81/20/995898120.db2.gz ACTVUXUVFGGQST-OAHLLOKOSA-N 1 3 322.453 -0.003 20 0 DBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001389483941 996008487 /nfs/dbraw/zinc/00/84/87/996008487.db2.gz OGUDVLWWHDJHKX-BYNSBNAKSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001389483941 996008499 /nfs/dbraw/zinc/00/84/99/996008499.db2.gz OGUDVLWWHDJHKX-BYNSBNAKSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@H](C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001389840603 996117299 /nfs/dbraw/zinc/11/72/99/996117299.db2.gz XGEATHIPRCKKBG-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@H](C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001389840603 996117303 /nfs/dbraw/zinc/11/73/03/996117303.db2.gz XGEATHIPRCKKBG-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001389848168 996118432 /nfs/dbraw/zinc/11/84/32/996118432.db2.gz OYJNLDJOAQOLPY-FDYHWXHSSA-N 1 3 317.455 -0.392 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001389848168 996118436 /nfs/dbraw/zinc/11/84/36/996118436.db2.gz OYJNLDJOAQOLPY-FDYHWXHSSA-N 1 3 317.455 -0.392 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001390073835 996179384 /nfs/dbraw/zinc/17/93/84/996179384.db2.gz XWYCGHZFNONDHO-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001390136459 996191333 /nfs/dbraw/zinc/19/13/33/996191333.db2.gz VOXQAIKJGMIQFC-JSGCOSHPSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001390136459 996191335 /nfs/dbraw/zinc/19/13/35/996191335.db2.gz VOXQAIKJGMIQFC-JSGCOSHPSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)N[C@@H](C)C(N)=O ZINC001390359195 996232793 /nfs/dbraw/zinc/23/27/93/996232793.db2.gz AVXNKKLFUOIYOU-QWRGUYRKSA-N 1 3 310.402 -0.974 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC(=O)NC ZINC001390502646 996282466 /nfs/dbraw/zinc/28/24/66/996282466.db2.gz DFLVOIDWLHPVQW-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](C)N[C@H](C)C(=O)NC(=O)NC ZINC001390502646 996282471 /nfs/dbraw/zinc/28/24/71/996282471.db2.gz DFLVOIDWLHPVQW-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]C[C@@H](O)Cn1cccn1 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ZINC001398697154 999339219 /nfs/dbraw/zinc/33/92/19/999339219.db2.gz YQEIGUQCODAJPX-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001398928023 999379160 /nfs/dbraw/zinc/37/91/60/999379160.db2.gz TVYMJOFULDPLFH-WDEREUQCSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001398928023 999379161 /nfs/dbraw/zinc/37/91/61/999379161.db2.gz TVYMJOFULDPLFH-WDEREUQCSA-N 1 3 313.402 -0.852 20 0 DBADHO CNC(=O)NC(=O)CN[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001399094463 999407498 /nfs/dbraw/zinc/40/74/98/999407498.db2.gz KJHXJULXQWDFBR-JQWIXIFHSA-N 1 3 315.418 -0.878 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC001399436373 999430371 /nfs/dbraw/zinc/43/03/71/999430371.db2.gz JIWXVXMWUSQMSL-QWHCGFSZSA-N 1 3 306.414 -0.092 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC001399436373 999430373 /nfs/dbraw/zinc/43/03/73/999430373.db2.gz JIWXVXMWUSQMSL-QWHCGFSZSA-N 1 3 306.414 -0.092 20 0 DBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001399648832 999456959 /nfs/dbraw/zinc/45/69/59/999456959.db2.gz VXSLARTXGIYBTI-KGLIPLIRSA-N 1 3 309.414 -0.756 20 0 DBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001399648832 999456961 /nfs/dbraw/zinc/45/69/61/999456961.db2.gz VXSLARTXGIYBTI-KGLIPLIRSA-N 1 3 309.414 -0.756 20 0 DBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001399648824 999457616 /nfs/dbraw/zinc/45/76/16/999457616.db2.gz VXSLARTXGIYBTI-KBPBESRZSA-N 1 3 309.414 -0.756 20 0 DBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001399648824 999457617 /nfs/dbraw/zinc/45/76/17/999457617.db2.gz VXSLARTXGIYBTI-KBPBESRZSA-N 1 3 309.414 -0.756 20 0 DBADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001420930683 1000299569 /nfs/dbraw/zinc/29/95/69/1000299569.db2.gz OQZGNFQHJVXKHN-CHWSQXEVSA-N 1 3 308.426 -0.264 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001420967701 1000317031 /nfs/dbraw/zinc/31/70/31/1000317031.db2.gz DRRHZJUTVZAAQV-ILXRZTDVSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001421138423 1000381721 /nfs/dbraw/zinc/38/17/21/1000381721.db2.gz QQFFECLPNKPJBB-CQSZACIVSA-N 1 3 311.426 -0.330 20 0 DBADHO CCCN(C)CC(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001409165297 1000388788 /nfs/dbraw/zinc/38/87/88/1000388788.db2.gz RWPKHEWEWWSNDA-UHFFFAOYSA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001409181780 1000392830 /nfs/dbraw/zinc/39/28/30/1000392830.db2.gz BPWIPJQVZCKCCZ-HIFRSBDPSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001409181780 1000392835 /nfs/dbraw/zinc/39/28/35/1000392835.db2.gz BPWIPJQVZCKCCZ-HIFRSBDPSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@H](NCCS(C)(=O)=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409406214 1000450295 /nfs/dbraw/zinc/45/02/95/1000450295.db2.gz LJFKXWXKKMWXLB-RYUDHWBXSA-N 1 3 319.471 -0.144 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@]2(O)CCN(CCO)C2)CC1 ZINC001421380840 1000475538 /nfs/dbraw/zinc/47/55/38/1000475538.db2.gz HPDQPSFMBRLWNS-MRXNPFEDSA-N 1 3 313.442 -0.348 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@]2(O)CC[N@H+](CCO)C2)c1 ZINC001421389763 1000479286 /nfs/dbraw/zinc/47/92/86/1000479286.db2.gz NIAKNJDKJUFWAP-QGZVFWFLSA-N 1 3 321.421 -0.093 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@]2(O)CC[N@@H+](CCO)C2)c1 ZINC001421389763 1000479287 /nfs/dbraw/zinc/47/92/87/1000479287.db2.gz NIAKNJDKJUFWAP-QGZVFWFLSA-N 1 3 321.421 -0.093 20 0 DBADHO CNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001421546801 1000545562 /nfs/dbraw/zinc/54/55/62/1000545562.db2.gz ULBDTFWXVDNMMY-AXAPSJFSSA-N 1 3 310.442 -0.053 20 0 DBADHO CNC(=O)CNC[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001421546801 1000545566 /nfs/dbraw/zinc/54/55/66/1000545566.db2.gz ULBDTFWXVDNMMY-AXAPSJFSSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)NC)C[C@H]2C1 ZINC001421580513 1000554234 /nfs/dbraw/zinc/55/42/34/1000554234.db2.gz URIRXNJTJAHQLK-MCIONIFRSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CN([C@H](C)C(=O)NC)C[C@H]2C1 ZINC001421580513 1000554241 /nfs/dbraw/zinc/55/42/41/1000554241.db2.gz URIRXNJTJAHQLK-MCIONIFRSA-N 1 3 310.442 -0.147 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001421650029 1000580321 /nfs/dbraw/zinc/58/03/21/1000580321.db2.gz FVWAIXWYBKNEQV-LLVKDONJSA-N 1 3 313.402 -0.898 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001421833543 1000642156 /nfs/dbraw/zinc/64/21/56/1000642156.db2.gz QTUVRIOIIIVWFK-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001421833543 1000642158 /nfs/dbraw/zinc/64/21/58/1000642158.db2.gz QTUVRIOIIIVWFK-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421940901 1000674941 /nfs/dbraw/zinc/67/49/41/1000674941.db2.gz UMOYQRBCNRYBIH-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001422170782 1000751861 /nfs/dbraw/zinc/75/18/61/1000751861.db2.gz UMTAXUXTHMXPTJ-CYBMUJFWSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)C1(N(C)C)CCC1 ZINC001422170782 1000751866 /nfs/dbraw/zinc/75/18/66/1000751866.db2.gz UMTAXUXTHMXPTJ-CYBMUJFWSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[C@@H](C(=O)NC1(CO)CC[NH+](C[C@@H](C)O)CC1)N(C)C ZINC001422188357 1000758146 /nfs/dbraw/zinc/75/81/46/1000758146.db2.gz LXZLAXUNEHRORT-OLZOCXBDSA-N 1 3 301.431 -0.350 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC1(CO)CCN(CCOC)CC1 ZINC001422192870 1000759453 /nfs/dbraw/zinc/75/94/53/1000759453.db2.gz OQFMPDAXROQUDX-UHFFFAOYSA-N 1 3 301.431 -0.082 20 0 DBADHO CC[N@H+](C)CCC(=O)NC1(CO)CCN(CCOC)CC1 ZINC001422192870 1000759445 /nfs/dbraw/zinc/75/94/45/1000759445.db2.gz OQFMPDAXROQUDX-UHFFFAOYSA-N 1 3 301.431 -0.082 20 0 DBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H]1CCN(C)C1=O ZINC001410431006 1000765707 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DBADHO Cc1cncc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC001422409929 1000865350 /nfs/dbraw/zinc/86/53/50/1000865350.db2.gz YEDOBUDRLUHXLU-CABCVRRESA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1cncc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001422409929 1000865351 /nfs/dbraw/zinc/86/53/51/1000865351.db2.gz YEDOBUDRLUHXLU-CABCVRRESA-N 1 3 306.410 -0.092 20 0 DBADHO C[C@H](CN[C@H]1CCCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001422518953 1000893727 /nfs/dbraw/zinc/89/37/27/1000893727.db2.gz UHIYQXNYOUQLNC-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001422695866 1000974016 /nfs/dbraw/zinc/97/40/16/1000974016.db2.gz KRBVZGKLGYVJSP-STQMWFEESA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NC[C@H](C)NC(=O)C1(C[NH+](C)C)CC1)C(=O)NC(N)=O ZINC001422711226 1000980559 /nfs/dbraw/zinc/98/05/59/1000980559.db2.gz VUZNTZVVJDDJDH-VHSXEESVSA-N 1 3 313.402 -0.994 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001494846954 1016455140 /nfs/dbraw/zinc/45/51/40/1016455140.db2.gz KNNYXSRJVXCJGR-CABCVRRESA-N 1 3 323.441 -0.272 20 0 DBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)C1 ZINC001411177674 1001060622 /nfs/dbraw/zinc/06/06/22/1001060622.db2.gz FJLUKGGVSANHES-GJZGRUSLSA-N 1 3 315.458 -0.148 20 0 DBADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)C1 ZINC001411177674 1001060628 /nfs/dbraw/zinc/06/06/28/1001060628.db2.gz FJLUKGGVSANHES-GJZGRUSLSA-N 1 3 315.458 -0.148 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO ZINC001411191053 1001068428 /nfs/dbraw/zinc/06/84/28/1001068428.db2.gz UBRLGFDQMPAPQG-GJZGRUSLSA-N 1 3 315.458 -0.006 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC001411191053 1001068431 /nfs/dbraw/zinc/06/84/31/1001068431.db2.gz UBRLGFDQMPAPQG-GJZGRUSLSA-N 1 3 315.458 -0.006 20 0 DBADHO CNC(=O)[C@H](C)NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001423029681 1001092495 /nfs/dbraw/zinc/09/24/95/1001092495.db2.gz RHLMYPIVTBDLHC-WCQYABFASA-N 1 3 310.442 -0.053 20 0 DBADHO CNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)CCC[NH+](C)C ZINC001423115932 1001122711 /nfs/dbraw/zinc/12/27/11/1001122711.db2.gz ZOQRSLJGENIYSM-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)NCCS(C)(=O)=O ZINC001423157080 1001139306 /nfs/dbraw/zinc/13/93/06/1001139306.db2.gz XRLQSMSWDFVTSM-GFCCVEGCSA-N 1 3 317.455 -0.437 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCNC2=O)CC1 ZINC001423204765 1001168830 /nfs/dbraw/zinc/16/88/30/1001168830.db2.gz GNMLKIRIXROKHL-STQMWFEESA-N 1 3 308.426 -0.014 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@H]2CCNC2=O)CC1 ZINC001423204765 1001168818 /nfs/dbraw/zinc/16/88/18/1001168818.db2.gz GNMLKIRIXROKHL-STQMWFEESA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@H](O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001423216346 1001179354 /nfs/dbraw/zinc/17/93/54/1001179354.db2.gz HUYMQMHNUFJFDW-STQMWFEESA-N 1 3 301.431 -0.302 20 0 DBADHO C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001423216342 1001180131 /nfs/dbraw/zinc/18/01/31/1001180131.db2.gz HUYMQMHNUFJFDW-OLZOCXBDSA-N 1 3 301.431 -0.302 20 0 DBADHO CN(C[C@@H](O)C[NH2+]Cc1cncn1C)C(=O)CN(C)C1CCC1 ZINC001423466636 1001322903 /nfs/dbraw/zinc/32/29/03/1001322903.db2.gz PDQIFPSQOKTHLW-HNNXBMFYSA-N 1 3 323.441 -0.187 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO ZINC001423517935 1001359287 /nfs/dbraw/zinc/35/92/87/1001359287.db2.gz VFCBCSLLPUHOOK-HUUCEWRRSA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO ZINC001423517935 1001359296 /nfs/dbraw/zinc/35/92/96/1001359296.db2.gz VFCBCSLLPUHOOK-HUUCEWRRSA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)N(C)C ZINC001423757799 1001424055 /nfs/dbraw/zinc/42/40/55/1001424055.db2.gz KZVDKRQDXKLXHX-ZFWWWQNUSA-N 1 3 301.431 -0.492 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)N(C)C ZINC001423757799 1001424057 /nfs/dbraw/zinc/42/40/57/1001424057.db2.gz KZVDKRQDXKLXHX-ZFWWWQNUSA-N 1 3 301.431 -0.492 20 0 DBADHO C[NH+](C)CC1(C(=O)NCC2(NCC(N)=O)CCOCC2)CC1 ZINC001423717185 1001408610 /nfs/dbraw/zinc/40/86/10/1001408610.db2.gz BOOYYRBOJCOTLG-UHFFFAOYSA-N 1 3 312.414 -0.932 20 0 DBADHO CN(CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[C@H]1O ZINC001412475354 1001419033 /nfs/dbraw/zinc/41/90/33/1001419033.db2.gz DVAISQYJCAHLTN-KBUPBQIOSA-N 1 3 311.426 -0.189 20 0 DBADHO CN(CC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[C@H]1O ZINC001412475354 1001419039 /nfs/dbraw/zinc/41/90/39/1001419039.db2.gz DVAISQYJCAHLTN-KBUPBQIOSA-N 1 3 311.426 -0.189 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001423998336 1001540954 /nfs/dbraw/zinc/54/09/54/1001540954.db2.gz QABBDDDWUBICHP-ZNMIVQPWSA-N 1 3 322.453 -0.053 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001423998336 1001540961 /nfs/dbraw/zinc/54/09/61/1001540961.db2.gz QABBDDDWUBICHP-ZNMIVQPWSA-N 1 3 322.453 -0.053 20 0 DBADHO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001424533781 1001656462 /nfs/dbraw/zinc/65/64/62/1001656462.db2.gz GXWFYTCEPGOLPO-CYBMUJFWSA-N 1 3 313.442 -0.205 20 0 DBADHO C[C@@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001424793935 1001800706 /nfs/dbraw/zinc/80/07/06/1001800706.db2.gz JJNQSCYUJZBNOZ-VHSXEESVSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001424838564 1001805373 /nfs/dbraw/zinc/80/53/73/1001805373.db2.gz YRWVZVRTFDWMBG-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)CN3CCOCC3)CC2)CC1 ZINC001433630074 1001912355 /nfs/dbraw/zinc/91/23/55/1001912355.db2.gz NHFMPQAWUHXVDC-UHFFFAOYSA-N 1 3 324.469 -0.007 20 0 DBADHO CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)N[C@H](C)C(N)=O ZINC001495086185 1016545440 /nfs/dbraw/zinc/54/54/40/1016545440.db2.gz MWMMAHZMSPBSMN-VXGBXAGGSA-N 1 3 314.430 -0.545 20 0 DBADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001425359659 1002012989 /nfs/dbraw/zinc/01/29/89/1002012989.db2.gz LZMVWSJJCBCIEK-CHWSQXEVSA-N 1 3 314.430 -0.722 20 0 DBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001425493788 1002130054 /nfs/dbraw/zinc/13/00/54/1002130054.db2.gz MMSHIVSYAONQPZ-AWEZNQCLSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CN[C@@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001425569163 1002196984 /nfs/dbraw/zinc/19/69/84/1002196984.db2.gz ZAMGBRGNSIQNSG-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001426014811 1002619079 /nfs/dbraw/zinc/61/90/79/1002619079.db2.gz ZOCUPXGRTUYOEI-RYUDHWBXSA-N 1 3 314.430 -0.986 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001426014801 1002619437 /nfs/dbraw/zinc/61/94/37/1002619437.db2.gz ZOCUPXGRTUYOEI-NWDGAFQWSA-N 1 3 314.430 -0.986 20 0 DBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]C[C@H](C)O ZINC001436421430 1002704692 /nfs/dbraw/zinc/70/46/92/1002704692.db2.gz DDFLMUDKKGSWGF-OUCADQQQSA-N 1 3 310.398 -0.214 20 0 DBADHO CC[C@@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001436455482 1002714941 /nfs/dbraw/zinc/71/49/41/1002714941.db2.gz AUHRGHQUTPFYBB-RDBSUJKOSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001436793454 1002804481 /nfs/dbraw/zinc/80/44/81/1002804481.db2.gz VRQNOUCVMOZYQL-MRVWCRGKSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](NCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001436793454 1002804482 /nfs/dbraw/zinc/80/44/82/1002804482.db2.gz VRQNOUCVMOZYQL-MRVWCRGKSA-N 1 3 310.442 -0.101 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001436902218 1002823080 /nfs/dbraw/zinc/82/30/80/1002823080.db2.gz ZLKNHCFWKOMQQQ-FIQHERPVSA-N 1 3 302.394 -0.223 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001436957734 1002833253 /nfs/dbraw/zinc/83/32/53/1002833253.db2.gz WXAWQMWZYATWDS-XQQFMLRXSA-N 1 3 316.421 -0.009 20 0 DBADHO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)NCc1ccn(C)n1 ZINC001437258244 1002895074 /nfs/dbraw/zinc/89/50/74/1002895074.db2.gz GBWOVEBKGIMXSQ-KGLIPLIRSA-N 1 3 323.441 -0.017 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001415999872 1003081384 /nfs/dbraw/zinc/08/13/84/1003081384.db2.gz MCXBUVBNZTWZFJ-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001415999872 1003081397 /nfs/dbraw/zinc/08/13/97/1003081397.db2.gz MCXBUVBNZTWZFJ-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001415999870 1003082184 /nfs/dbraw/zinc/08/21/84/1003082184.db2.gz MCXBUVBNZTWZFJ-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001415999870 1003082197 /nfs/dbraw/zinc/08/21/97/1003082197.db2.gz MCXBUVBNZTWZFJ-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)[C@@H]1CCNC1=O ZINC001437989251 1003314853 /nfs/dbraw/zinc/31/48/53/1003314853.db2.gz HRLYPUWRIKJIRE-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438303099 1003414915 /nfs/dbraw/zinc/41/49/15/1003414915.db2.gz LDXNYKLOIBOZPK-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001438322292 1003420097 /nfs/dbraw/zinc/42/00/97/1003420097.db2.gz AHMCZUXHJZPOMT-ZDUSSCGKSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H](CNCC(=O)NC1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001438706222 1003603767 /nfs/dbraw/zinc/60/37/67/1003603767.db2.gz AMLADHLBKLHRDR-GFCCVEGCSA-N 1 3 308.426 -0.203 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001439021958 1003836856 /nfs/dbraw/zinc/83/68/56/1003836856.db2.gz ZJKZZDXBGHHJTM-ZDUSSCGKSA-N 1 3 309.414 -0.671 20 0 DBADHO CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)CN1CCCC1 ZINC001439087450 1003863963 /nfs/dbraw/zinc/86/39/63/1003863963.db2.gz ZDBJOYSFSIZRMF-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439108674 1003868092 /nfs/dbraw/zinc/86/80/92/1003868092.db2.gz LFKLTGUEJZNVCY-DOMZBBRYSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)NCC1CC1 ZINC001417729388 1004010354 /nfs/dbraw/zinc/01/03/54/1004010354.db2.gz IRBIRKRIQXSLON-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO Cn1nncc1CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001439489515 1004016869 /nfs/dbraw/zinc/01/68/69/1004016869.db2.gz YYKVNYBCMLDCNZ-CQSZACIVSA-N 1 3 318.425 -0.105 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@@H+](CCO)C[C@@H](C)O)C1 ZINC001417829889 1004058571 /nfs/dbraw/zinc/05/85/71/1004058571.db2.gz KBYGPIQXOFPDEB-CABCVRRESA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([N@H+](CCO)C[C@@H](C)O)C1 ZINC001417829889 1004058580 /nfs/dbraw/zinc/05/85/80/1004058580.db2.gz KBYGPIQXOFPDEB-CABCVRRESA-N 1 3 315.458 -0.007 20 0 DBADHO CNC(=O)[C@H](C)NC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001439791316 1004119984 /nfs/dbraw/zinc/11/99/84/1004119984.db2.gz SUGHBQZIVDNNID-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](CNCC(N)=O)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001496194358 1016862812 /nfs/dbraw/zinc/86/28/12/1016862812.db2.gz UBRGIFHKGNVXBZ-LLVKDONJSA-N 1 3 300.403 -0.981 20 0 DBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001496209716 1016865914 /nfs/dbraw/zinc/86/59/14/1016865914.db2.gz LHDAAKVLPVTIKY-MNOVXSKESA-N 1 3 315.418 -0.652 20 0 DBADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001418302944 1004324988 /nfs/dbraw/zinc/32/49/88/1004324988.db2.gz KIOYZDWVKUMQQS-NWDGAFQWSA-N 1 3 314.430 -0.674 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001418341787 1004350839 /nfs/dbraw/zinc/35/08/39/1004350839.db2.gz DOURHXMEMAUXRY-MELADBBJSA-N 1 3 301.431 -0.228 20 0 DBADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001418442230 1004392839 /nfs/dbraw/zinc/39/28/39/1004392839.db2.gz MZVXNWOMBCGROP-QWRGUYRKSA-N 1 3 315.418 -0.606 20 0 DBADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001418877746 1004695287 /nfs/dbraw/zinc/69/52/87/1004695287.db2.gz FHRQWVIXXRNJFZ-ZFWWWQNUSA-N 1 3 322.453 -0.098 20 0 DBADHO CCNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001418917923 1004713308 /nfs/dbraw/zinc/71/33/08/1004713308.db2.gz IHCCKAXUEZXAFM-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CCNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001418917923 1004713319 /nfs/dbraw/zinc/71/33/19/1004713319.db2.gz IHCCKAXUEZXAFM-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CCNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001418917919 1004713742 /nfs/dbraw/zinc/71/37/42/1004713742.db2.gz IHCCKAXUEZXAFM-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO CCNC(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001418917919 1004713746 /nfs/dbraw/zinc/71/37/46/1004713746.db2.gz IHCCKAXUEZXAFM-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)NCC2CC2)C2CC2)C1 ZINC001419305579 1004854888 /nfs/dbraw/zinc/85/48/88/1004854888.db2.gz GGLKGYMFCQDFAD-HUUCEWRRSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)NCC2CC2)C2CC2)C1 ZINC001419305579 1004854889 /nfs/dbraw/zinc/85/48/89/1004854889.db2.gz GGLKGYMFCQDFAD-HUUCEWRRSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)C(=O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001419312344 1004855771 /nfs/dbraw/zinc/85/57/71/1004855771.db2.gz OUNNQOVTADDOGX-CYBMUJFWSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001419414699 1004871861 /nfs/dbraw/zinc/87/18/61/1004871861.db2.gz MAHQGIPYWZXLRE-JOCQHMNTSA-N 1 3 308.426 -0.014 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3ccon3)C2)C1 ZINC001419510325 1004890927 /nfs/dbraw/zinc/89/09/27/1004890927.db2.gz VAZBDWXGJJWBPD-UTUOFQBUSA-N 1 3 321.381 -0.198 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3ccon3)C2)C1 ZINC001419510325 1004890928 /nfs/dbraw/zinc/89/09/28/1004890928.db2.gz VAZBDWXGJJWBPD-UTUOFQBUSA-N 1 3 321.381 -0.198 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001419521955 1004891695 /nfs/dbraw/zinc/89/16/95/1004891695.db2.gz YGOYXZPBHGGQMZ-ZNMIVQPWSA-N 1 3 323.441 -0.179 20 0 DBADHO C[C@H](CNC(=O)C1(C[NH+](C)C)CC1)N[C@@H](C)C(=O)NC(N)=O ZINC001419827756 1004990868 /nfs/dbraw/zinc/99/08/68/1004990868.db2.gz FPYRRNUTROJKEN-ZJUUUORDSA-N 1 3 313.402 -0.994 20 0 DBADHO CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001420083267 1005073866 /nfs/dbraw/zinc/07/38/66/1005073866.db2.gz XLBGFHGRAIPRPY-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(CCN[C@H](C)C(=O)N(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001420246165 1005170515 /nfs/dbraw/zinc/17/05/15/1005170515.db2.gz ROOYXUHZCWEUQL-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420512895 1005285610 /nfs/dbraw/zinc/28/56/10/1005285610.db2.gz ZPOKENTVILRIDE-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420512895 1005285612 /nfs/dbraw/zinc/28/56/12/1005285612.db2.gz ZPOKENTVILRIDE-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO CCO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H](C)C(N)=O ZINC001440417452 1006117101 /nfs/dbraw/zinc/11/71/01/1006117101.db2.gz IQVSYMCQSIXXDO-NQBHXWOUSA-N 1 3 323.397 -0.721 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001440450142 1006136334 /nfs/dbraw/zinc/13/63/34/1006136334.db2.gz NUZFOBLUHHWDLE-AWEZNQCLSA-N 1 3 301.431 -0.396 20 0 DBADHO CC1([NH2+]CC(=O)NC(N)=O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001440608004 1006226660 /nfs/dbraw/zinc/22/66/60/1006226660.db2.gz XLFJPWPWRQQSRZ-UHFFFAOYSA-N 1 3 322.369 -0.882 20 0 DBADHO Cn1nccc1CNCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001440625821 1006236854 /nfs/dbraw/zinc/23/68/54/1006236854.db2.gz QJUDBPPYHJMWBZ-UHFFFAOYSA-N 1 3 323.441 -0.185 20 0 DBADHO CC[C@H](C(=O)NC1(CO)CC[NH+](CCOC)CC1)N(C)C ZINC001440695251 1006262025 /nfs/dbraw/zinc/26/20/25/1006262025.db2.gz SSFQLBARIWTMAV-CYBMUJFWSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001429259397 1006316804 /nfs/dbraw/zinc/31/68/04/1006316804.db2.gz FWJUENTVJPOFQT-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCCN1CC(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001429259397 1006316817 /nfs/dbraw/zinc/31/68/17/1006316817.db2.gz FWJUENTVJPOFQT-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001440848070 1006328390 /nfs/dbraw/zinc/32/83/90/1006328390.db2.gz WMOJHYHEDFKWGR-GHMZBOCLSA-N 1 3 310.402 -0.974 20 0 DBADHO C[C@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001441315906 1006577222 /nfs/dbraw/zinc/57/72/22/1006577222.db2.gz JBLAXNUINHSKGH-RYUDHWBXSA-N 1 3 312.414 -0.839 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001441326026 1006582785 /nfs/dbraw/zinc/58/27/85/1006582785.db2.gz SMNDMGDTOVSCKZ-YIYPIFLZSA-N 1 3 308.426 -0.491 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001441326026 1006582795 /nfs/dbraw/zinc/58/27/95/1006582795.db2.gz SMNDMGDTOVSCKZ-YIYPIFLZSA-N 1 3 308.426 -0.491 20 0 DBADHO CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001441324697 1006585647 /nfs/dbraw/zinc/58/56/47/1006585647.db2.gz CYIMTWGPWPMMJA-CHWSQXEVSA-N 1 3 324.425 -0.966 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001441324703 1006585677 /nfs/dbraw/zinc/58/56/77/1006585677.db2.gz CYIMTWGPWPMMJA-QWHCGFSZSA-N 1 3 324.425 -0.966 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001441390374 1006623662 /nfs/dbraw/zinc/62/36/62/1006623662.db2.gz WXAWQMWZYATWDS-AVGNSLFASA-N 1 3 316.421 -0.009 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001441485827 1006681842 /nfs/dbraw/zinc/68/18/42/1006681842.db2.gz HIEZFWALBUOBSW-BETUJISGSA-N 1 3 308.426 -0.014 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H](C)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001441536274 1006708639 /nfs/dbraw/zinc/70/86/39/1006708639.db2.gz KHXNLUMZSBYZFO-OLZOCXBDSA-N 1 3 301.431 -0.086 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CN(C)C(C)C)C1 ZINC001441551777 1006719369 /nfs/dbraw/zinc/71/93/69/1006719369.db2.gz UUZIXFHTJKGBLY-PHIMTYICSA-N 1 3 313.402 -0.981 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001430177482 1006738719 /nfs/dbraw/zinc/73/87/19/1006738719.db2.gz ZNPYOQVAGVYRNC-HAQNSBGRSA-N 1 3 307.398 -0.024 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001430197184 1006752564 /nfs/dbraw/zinc/75/25/64/1006752564.db2.gz MKKBUHYIVVFKKS-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001430197184 1006752575 /nfs/dbraw/zinc/75/25/75/1006752575.db2.gz MKKBUHYIVVFKKS-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO NC(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001441640729 1006764674 /nfs/dbraw/zinc/76/46/74/1006764674.db2.gz NTWHCXDCBKGINQ-KGLIPLIRSA-N 1 3 308.426 -0.216 20 0 DBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)N(C)C ZINC001441651997 1006771540 /nfs/dbraw/zinc/77/15/40/1006771540.db2.gz NSERNGYPWRAMIT-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001441839791 1006897232 /nfs/dbraw/zinc/89/72/32/1006897232.db2.gz IYSLQEUZWVJXJX-ZIAGYGMSSA-N 1 3 323.441 -0.177 20 0 DBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001441854179 1006905451 /nfs/dbraw/zinc/90/54/51/1006905451.db2.gz OIEVSDZJFUYUEX-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)C1(C[NH+](C)C)CC1 ZINC001441990790 1007052534 /nfs/dbraw/zinc/05/25/34/1007052534.db2.gz JURRPZUZSJLUFD-AWEZNQCLSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)C[NH2+]Cc1cnn(C)c1)C(=O)CN(C)C1CCC1 ZINC001441991208 1007052922 /nfs/dbraw/zinc/05/29/22/1007052922.db2.gz PDFRTGXYOWGNMO-HNNXBMFYSA-N 1 3 323.441 -0.187 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCCS(C)(=O)=O ZINC001442012716 1007079379 /nfs/dbraw/zinc/07/93/79/1007079379.db2.gz RUFOLRAKJMOFQM-NSHDSACASA-N 1 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ZINC001444716268 1008228933 /nfs/dbraw/zinc/22/89/33/1008228933.db2.gz CNHXWDDNCRDTEI-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)CC[NH+](C)C)s1 ZINC001445228127 1008312026 /nfs/dbraw/zinc/31/20/26/1008312026.db2.gz XZPDATKOIJIHBT-LLVKDONJSA-N 1 3 300.428 -0.030 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001445251390 1008319592 /nfs/dbraw/zinc/31/95/92/1008319592.db2.gz CWGHNALAPCLVBA-CHWSQXEVSA-N 1 3 310.398 -0.246 20 0 DBADHO C[C@H](CNCC(=O)N1CCOCC1)NC(=O)CCC[NH+](C)C ZINC001445434588 1008375010 /nfs/dbraw/zinc/37/50/10/1008375010.db2.gz FXMMHGQECWQJBY-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@H](CNCC(=O)NCc1ccco1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001445495513 1008383924 /nfs/dbraw/zinc/38/39/24/1008383924.db2.gz CYSJWKCVWSPWBG-CHWSQXEVSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@H](CNCC(=O)NCc1ccco1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445495513 1008383926 /nfs/dbraw/zinc/38/39/26/1008383926.db2.gz CYSJWKCVWSPWBG-CHWSQXEVSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001445625469 1008407117 /nfs/dbraw/zinc/40/71/17/1008407117.db2.gz DZUZJEDCZXLSDC-WCQYABFASA-N 1 3 312.414 -0.920 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001446749980 1008754982 /nfs/dbraw/zinc/75/49/82/1008754982.db2.gz IXQCNMUGKNTSPL-TZMCWYRMSA-N 1 3 305.394 -0.788 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446749980 1008755001 /nfs/dbraw/zinc/75/50/01/1008755001.db2.gz IXQCNMUGKNTSPL-TZMCWYRMSA-N 1 3 305.394 -0.788 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001446991937 1008868774 /nfs/dbraw/zinc/86/87/74/1008868774.db2.gz XYPZRHZBXQZWAN-ZNMIVQPWSA-N 1 3 322.453 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001446991937 1008868775 /nfs/dbraw/zinc/86/87/75/1008868775.db2.gz XYPZRHZBXQZWAN-ZNMIVQPWSA-N 1 3 322.453 -0.003 20 0 DBADHO CCNC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001447541858 1009149105 /nfs/dbraw/zinc/14/91/05/1009149105.db2.gz PKUHYVOUSGKWMN-OLZOCXBDSA-N 1 3 308.426 -0.345 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC001497098447 1017268783 /nfs/dbraw/zinc/26/87/83/1017268783.db2.gz OIKCFPIQEYFGED-OLZOCXBDSA-N 1 3 310.398 -0.104 20 0 DBADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497113752 1017275681 /nfs/dbraw/zinc/27/56/81/1017275681.db2.gz MIEPEPTUYDLPNZ-HUUCEWRRSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497113752 1017275697 /nfs/dbraw/zinc/27/56/97/1017275697.db2.gz MIEPEPTUYDLPNZ-HUUCEWRRSA-N 1 3 306.410 -0.092 20 0 DBADHO C[C@H](CN(C)C(=O)CCc1ccco1)[NH2+]CC(=O)NC(N)=O ZINC001448625161 1009829909 /nfs/dbraw/zinc/82/99/09/1009829909.db2.gz CCAFKUKYFDDJEU-SNVBAGLBSA-N 1 3 310.354 -0.156 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001479413187 1010284897 /nfs/dbraw/zinc/28/48/97/1010284897.db2.gz AGDICXZYRJKSMA-JHJVBQTASA-N 1 3 317.455 -0.533 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001479413187 1010284900 /nfs/dbraw/zinc/28/49/00/1010284900.db2.gz AGDICXZYRJKSMA-JHJVBQTASA-N 1 3 317.455 -0.533 20 0 DBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)C1CC[NH+](C)CC1 ZINC001449143545 1010311133 /nfs/dbraw/zinc/31/11/33/1010311133.db2.gz GEIOQSZFQASDCQ-HNNXBMFYSA-N 1 3 323.441 -0.329 20 0 DBADHO CNC(=O)[C@H](C)N[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001480043364 1010514600 /nfs/dbraw/zinc/51/46/00/1010514600.db2.gz NNNVXXVFIASIKT-AAEUAGOBSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001480119617 1010542704 /nfs/dbraw/zinc/54/27/04/1010542704.db2.gz VRKODEVKKVCAKE-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001480119617 1010542724 /nfs/dbraw/zinc/54/27/24/1010542724.db2.gz VRKODEVKKVCAKE-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCCS(C)(=O)=O ZINC001480473508 1010656892 /nfs/dbraw/zinc/65/68/92/1010656892.db2.gz DRBMKZXAYJYPOD-LBPRGKRZSA-N 1 3 319.471 0.000 20 0 DBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCCN1CCCS1(=O)=O ZINC001480531166 1010682719 /nfs/dbraw/zinc/68/27/19/1010682719.db2.gz VIIIPQRCWPFJBF-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001480547903 1010686334 /nfs/dbraw/zinc/68/63/34/1010686334.db2.gz FVGFTGPKSPBTDG-GFCCVEGCSA-N 1 3 319.471 -0.143 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001480682497 1010737959 /nfs/dbraw/zinc/73/79/59/1010737959.db2.gz GVANNHGPYIOEBE-CHWSQXEVSA-N 1 3 324.425 -0.430 20 0 DBADHO CN(CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001450647412 1010778522 /nfs/dbraw/zinc/77/85/22/1010778522.db2.gz KLFWAZVKQVBOCA-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)CCC[NH+](C)C ZINC001481273275 1010878598 /nfs/dbraw/zinc/87/85/98/1010878598.db2.gz QNTMGPUNFUXZFO-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCN[C@H]2CCC(=O)NC2=O)C1 ZINC001481279252 1010880677 /nfs/dbraw/zinc/88/06/77/1010880677.db2.gz GLKBBWOTIKZQKZ-NEPJUHHUSA-N 1 3 310.398 -0.819 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCN[C@H]2CCC(=O)NC2=O)C1 ZINC001481279252 1010880678 /nfs/dbraw/zinc/88/06/78/1010880678.db2.gz GLKBBWOTIKZQKZ-NEPJUHHUSA-N 1 3 310.398 -0.819 20 0 DBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001481302463 1010886935 /nfs/dbraw/zinc/88/69/35/1010886935.db2.gz LZZHXMXZRUKJKR-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001481302463 1010886937 /nfs/dbraw/zinc/88/69/37/1010886937.db2.gz LZZHXMXZRUKJKR-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481302466 1010887177 /nfs/dbraw/zinc/88/71/77/1010887177.db2.gz LZZHXMXZRUKJKR-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001481302466 1010887180 /nfs/dbraw/zinc/88/71/80/1010887180.db2.gz LZZHXMXZRUKJKR-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)NCC(=O)NC ZINC001481863848 1011018189 /nfs/dbraw/zinc/01/81/89/1011018189.db2.gz JTBBYXCYKOMVLL-GFCCVEGCSA-N 1 3 314.430 -0.672 20 0 DBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482283851 1011106328 /nfs/dbraw/zinc/10/63/28/1011106328.db2.gz QHUKNVVOOZRVPR-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482353968 1011125712 /nfs/dbraw/zinc/12/57/12/1011125712.db2.gz MNCSEHCMZSKYPZ-STQMWFEESA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482353962 1011125746 /nfs/dbraw/zinc/12/57/46/1011125746.db2.gz MNCSEHCMZSKYPZ-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001482649239 1011252194 /nfs/dbraw/zinc/25/21/94/1011252194.db2.gz JAYOIGTVZSPWOZ-GJZGRUSLSA-N 1 3 323.441 -0.414 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001482649239 1011252203 /nfs/dbraw/zinc/25/22/03/1011252203.db2.gz JAYOIGTVZSPWOZ-GJZGRUSLSA-N 1 3 323.441 -0.414 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787778 1011463552 /nfs/dbraw/zinc/46/35/52/1011463552.db2.gz WUQPXEFKZRSFDH-ZDUSSCGKSA-N 1 3 307.398 -0.917 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001453195443 1011553122 /nfs/dbraw/zinc/55/31/22/1011553122.db2.gz PGIPIQNZFKIMOP-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001453195443 1011553136 /nfs/dbraw/zinc/55/31/36/1011553136.db2.gz PGIPIQNZFKIMOP-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001483057911 1011648479 /nfs/dbraw/zinc/64/84/79/1011648479.db2.gz SBPNHSDPCWYSSX-KIZSPLDGSA-N 1 3 324.425 -0.360 20 0 DBADHO CCN1CC[C@H](NC/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001483092153 1011675490 /nfs/dbraw/zinc/67/54/90/1011675490.db2.gz CKSSWHVKYNHPQE-MRYXHSKJSA-N 1 3 308.426 -0.179 20 0 DBADHO CCN1CC[C@H](NC/C=C\CNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001483092153 1011675496 /nfs/dbraw/zinc/67/54/96/1011675496.db2.gz CKSSWHVKYNHPQE-MRYXHSKJSA-N 1 3 308.426 -0.179 20 0 DBADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001483184797 1011773908 /nfs/dbraw/zinc/77/39/08/1011773908.db2.gz WCLQOPUKUNGJRH-GFCCVEGCSA-N 1 3 308.426 -0.297 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001454268354 1011896670 /nfs/dbraw/zinc/89/66/70/1011896670.db2.gz VHRIUGXKLAVDAF-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001454268354 1011896674 /nfs/dbraw/zinc/89/66/74/1011896674.db2.gz VHRIUGXKLAVDAF-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](NC[C@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)NC(N)=O ZINC001483586404 1011940742 /nfs/dbraw/zinc/94/07/42/1011940742.db2.gz QICZKYVGORYZTC-KOLCDFICSA-N 1 3 313.402 -0.994 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NCC2CC2)C2CC2)C1 ZINC001483605630 1011963302 /nfs/dbraw/zinc/96/33/02/1011963302.db2.gz PGZRRTKLYWORDL-CABCVRRESA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H](CNCC(=O)NCC2CC2)C2CC2)C1 ZINC001483605630 1011963314 /nfs/dbraw/zinc/96/33/14/1011963314.db2.gz PGZRRTKLYWORDL-CABCVRRESA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NCC2CC2)C2CC2)C1 ZINC001483605633 1011965266 /nfs/dbraw/zinc/96/52/66/1011965266.db2.gz PGZRRTKLYWORDL-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NCC2CC2)C2CC2)C1 ZINC001483605633 1011965294 /nfs/dbraw/zinc/96/52/94/1011965294.db2.gz PGZRRTKLYWORDL-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001483932735 1012211725 /nfs/dbraw/zinc/21/17/25/1012211725.db2.gz OQCSFFICKFANRN-RYUDHWBXSA-N 1 3 302.394 -0.268 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001484410737 1012612464 /nfs/dbraw/zinc/61/24/64/1012612464.db2.gz MEPUNIHLBQPFSR-MCIONIFRSA-N 1 3 310.442 -0.147 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)C1(N(C)C)CCC1 ZINC001484484715 1012711572 /nfs/dbraw/zinc/71/15/72/1012711572.db2.gz HJSAQFYKGPADND-GFCCVEGCSA-N 1 3 314.430 -0.984 20 0 DBADHO CCN(CC)CC(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001456483984 1012733594 /nfs/dbraw/zinc/73/35/94/1012733594.db2.gz ITEVTSBYLWDNQV-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CCN(CC)CC(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001456483984 1012733615 /nfs/dbraw/zinc/73/36/15/1012733615.db2.gz ITEVTSBYLWDNQV-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001456506205 1012740745 /nfs/dbraw/zinc/74/07/45/1012740745.db2.gz PYIVBGNGRDXFKW-UHFFFAOYSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001484687725 1012828880 /nfs/dbraw/zinc/82/88/80/1012828880.db2.gz NGSBTQNODBVZPH-STQMWFEESA-N 1 3 312.414 -0.966 20 0 DBADHO C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001484842796 1012872627 /nfs/dbraw/zinc/87/26/27/1012872627.db2.gz XXKLGDPTIWZXQZ-CZUORRHYSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)(C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1)N1CCCC1 ZINC001484845346 1012875000 /nfs/dbraw/zinc/87/50/00/1012875000.db2.gz TZLNZNZOZJHMLB-MRXNPFEDSA-N 1 3 313.442 -0.204 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1(C[NH2+]C[C@@H](C)O)CCOCC1 ZINC001484870423 1012883406 /nfs/dbraw/zinc/88/34/06/1012883406.db2.gz DPUDKTHMHRZDOG-LLVKDONJSA-N 1 3 310.398 -0.104 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001485149338 1013019430 /nfs/dbraw/zinc/01/94/30/1013019430.db2.gz ZISUCGLHMFTOGT-RYUDHWBXSA-N 1 3 324.429 -0.713 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496983856 1017166439 /nfs/dbraw/zinc/16/64/39/1017166439.db2.gz PTWWORGUSUMXJG-LSDHHAIUSA-N 1 3 321.425 -0.671 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001496983845 1017166566 /nfs/dbraw/zinc/16/65/66/1017166566.db2.gz PTWWORGUSUMXJG-GJZGRUSLSA-N 1 3 321.425 -0.671 20 0 DBADHO Cc1nn(C)cc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1 ZINC001496995519 1017177723 /nfs/dbraw/zinc/17/77/23/1017177723.db2.gz JUNHXRTVHYBZQE-HNNXBMFYSA-N 1 3 323.441 -0.220 20 0 DBADHO CCNC(=O)CNC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497031462 1017209831 /nfs/dbraw/zinc/20/98/31/1017209831.db2.gz AMOLJBMCYHJMJH-GFCCVEGCSA-N 1 3 314.430 -0.936 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497383143 1017359745 /nfs/dbraw/zinc/35/97/45/1017359745.db2.gz GGHGYVNCRDADOB-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495752 1017397087 /nfs/dbraw/zinc/39/70/87/1017397087.db2.gz MROHBJUGKWPREX-NWDGAFQWSA-N 1 3 310.398 -0.819 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497495752 1017397102 /nfs/dbraw/zinc/39/71/02/1017397102.db2.gz MROHBJUGKWPREX-NWDGAFQWSA-N 1 3 310.398 -0.819 20 0 DBADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CCN1CCNC1=O ZINC001497749822 1017485970 /nfs/dbraw/zinc/48/59/70/1017485970.db2.gz LPAZQGOMAFDUCU-UPHRSURJSA-N 1 3 309.414 -0.631 20 0 DBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001497936630 1017552399 /nfs/dbraw/zinc/55/23/99/1017552399.db2.gz POYGJQAZWXHNCW-GHMZBOCLSA-N 1 3 310.402 -0.974 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C(C)C ZINC001497993363 1017569342 /nfs/dbraw/zinc/56/93/42/1017569342.db2.gz PPEGSMXNIFOXLD-LLVKDONJSA-N 1 3 315.418 -0.733 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(N[C@H]3CCCNC3=O)CC2)C1 ZINC001499420739 1018101240 /nfs/dbraw/zinc/10/12/40/1018101240.db2.gz IDGMAMSFLADUCS-STQMWFEESA-N 1 3 308.426 -0.155 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(N[C@H]3CCCNC3=O)CC2)C1 ZINC001499420739 1018101248 /nfs/dbraw/zinc/10/12/48/1018101248.db2.gz IDGMAMSFLADUCS-STQMWFEESA-N 1 3 308.426 -0.155 20 0 DBADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001500683658 1018407004 /nfs/dbraw/zinc/40/70/04/1018407004.db2.gz IXRLMILWGNTAHT-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO CCCN1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001500683658 1018407010 /nfs/dbraw/zinc/40/70/10/1018407010.db2.gz IXRLMILWGNTAHT-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001500713981 1018423715 /nfs/dbraw/zinc/42/37/15/1018423715.db2.gz FRZCSZVWRPLCON-GDBMZVCRSA-N 1 3 313.442 -0.346 20 0 DBADHO CCC[N@H+]1CCC[C@@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001500713981 1018423719 /nfs/dbraw/zinc/42/37/19/1018423719.db2.gz FRZCSZVWRPLCON-GDBMZVCRSA-N 1 3 313.442 -0.346 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001501490544 1018795975 /nfs/dbraw/zinc/79/59/75/1018795975.db2.gz OCMOBTOSRNFXAA-UHFFFAOYSA-N 1 3 323.441 -0.328 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC2(CNCC(N)=O)CCOCC2)CC[N@@H+]1C ZINC001502625932 1019121355 /nfs/dbraw/zinc/12/13/55/1019121355.db2.gz HTUSLGIXFUUMTQ-VXGBXAGGSA-N 1 3 312.414 -0.933 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC2(CNCC(N)=O)CCOCC2)CC[N@H+]1C ZINC001502625932 1019121364 /nfs/dbraw/zinc/12/13/64/1019121364.db2.gz HTUSLGIXFUUMTQ-VXGBXAGGSA-N 1 3 312.414 -0.933 20 0 DBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001502748591 1019159887 /nfs/dbraw/zinc/15/98/87/1019159887.db2.gz WFAOVDXLGBBRKB-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CCN1CCN(C)CC1)NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001575961763 1019777349 /nfs/dbraw/zinc/77/73/49/1019777349.db2.gz HTRMHBHVRWNUJZ-GDBMZVCRSA-N 1 3 312.458 -0.367 20 0 DBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC001575961793 1019778152 /nfs/dbraw/zinc/77/81/52/1019778152.db2.gz ILMCGVMMOYJCSP-HOCLYGCPSA-N 1 3 312.458 -0.116 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCN1C ZINC001576580179 1019869835 /nfs/dbraw/zinc/86/98/35/1019869835.db2.gz UQJWSOONIVRVED-AGIUHOORSA-N 1 3 311.430 -0.425 20 0 DBADHO CN(C[C@@H](O)C[NH2+]CCc1cn[nH]n1)C(=O)[C@@H]1CCCCN1C ZINC001576770200 1019886388 /nfs/dbraw/zinc/88/63/88/1019886388.db2.gz NKFCUTVWEDCUHG-KBPBESRZSA-N 1 3 324.429 -0.760 20 0 DBADHO CN(C[C@@H](O)C[NH2+]CCc1c[nH]nn1)C(=O)[C@@H]1CCCCN1C ZINC001576770200 1019886390 /nfs/dbraw/zinc/88/63/90/1019886390.db2.gz NKFCUTVWEDCUHG-KBPBESRZSA-N 1 3 324.429 -0.760 20 0 DBADHO C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@H](C)CN1CCO ZINC001576800044 1019892912 /nfs/dbraw/zinc/89/29/12/1019892912.db2.gz FXOHRHHYWISWJJ-KFWWJZLASA-N 1 3 312.458 -0.429 20 0 DBADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@H](C)CN1CCO ZINC001576800044 1019892919 /nfs/dbraw/zinc/89/29/19/1019892919.db2.gz FXOHRHHYWISWJJ-KFWWJZLASA-N 1 3 312.458 -0.429 20 0 DBADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001506806565 1019940481 /nfs/dbraw/zinc/94/04/81/1019940481.db2.gz SQWOVVHSYRMSFB-SYQHCUMBSA-N 1 3 310.442 -0.291 20 0 DBADHO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001576920987 1019951169 /nfs/dbraw/zinc/95/11/69/1019951169.db2.gz SGGSQABJFRKFPA-ZPLUETSNSA-N 1 3 308.426 -0.024 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001507022081 1020047108 /nfs/dbraw/zinc/04/71/08/1020047108.db2.gz KVTCYWHZRRHVGG-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507035014 1020055176 /nfs/dbraw/zinc/05/51/76/1020055176.db2.gz OOSOXGLMGYVZTG-ZDUSSCGKSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)N1CCC1 ZINC001507124939 1020097993 /nfs/dbraw/zinc/09/79/93/1020097993.db2.gz FXESYAXIVWIXIX-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)C[N@H+]1CC[C@H](C)C1)NCC(=O)N1CCC1 ZINC001507124939 1020098004 /nfs/dbraw/zinc/09/80/04/1020098004.db2.gz FXESYAXIVWIXIX-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001507124939 1020098015 /nfs/dbraw/zinc/09/80/15/1020098015.db2.gz FXESYAXIVWIXIX-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001578397531 1020228552 /nfs/dbraw/zinc/22/85/52/1020228552.db2.gz QASNNDWBFZAPOX-YJNKXOJESA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)CCN1CCN(C(=O)C2(F)CC[NH2+]CC2)CC1=O ZINC001578418319 1020235109 /nfs/dbraw/zinc/23/51/09/1020235109.db2.gz GATXHOSMEDXZBU-UHFFFAOYSA-N 1 3 300.378 -0.690 20 0 DBADHO CN(C)CCn1nccc1C(=O)N1CCO[C@]2(CC[NH2+]C2)C1 ZINC001578418846 1020235212 /nfs/dbraw/zinc/23/52/12/1020235212.db2.gz KJGJBUAPNXLVRU-HNNXBMFYSA-N 1 3 307.398 -0.351 20 0 DBADHO CN(C)CCN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1=O ZINC001578418694 1020236115 /nfs/dbraw/zinc/23/61/15/1020236115.db2.gz ONAHKROKOPJSMU-ZDUSSCGKSA-N 1 3 308.426 -0.392 20 0 DBADHO CN(C)CCN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1=O ZINC001578418693 1020236306 /nfs/dbraw/zinc/23/63/06/1020236306.db2.gz ONAHKROKOPJSMU-CYBMUJFWSA-N 1 3 308.426 -0.392 20 0 DBADHO CN1C[C@H]2[C@@H](CCN2C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC001578523592 1020254930 /nfs/dbraw/zinc/25/49/30/1020254930.db2.gz OARGFEKGHCFMKE-SCRDCRAPSA-N 1 3 304.398 -0.021 20 0 DBADHO CN1CCN(CCCCNS(=O)(=O)CC2C[NH2+]C2)CC1 ZINC001578533744 1020262153 /nfs/dbraw/zinc/26/21/53/1020262153.db2.gz WQMSXVUCUBWXJJ-UHFFFAOYSA-N 1 3 304.460 -0.847 20 0 DBADHO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC001578559270 1020270149 /nfs/dbraw/zinc/27/01/49/1020270149.db2.gz LJMBVABFRGYUFS-NSHDSACASA-N 1 3 309.374 -0.781 20 0 DBADHO CNC(=O)NC(=O)CC[N@H+]1CCC[C@H](n2cc(CN)nn2)C1 ZINC001578559270 1020270158 /nfs/dbraw/zinc/27/01/58/1020270158.db2.gz LJMBVABFRGYUFS-NSHDSACASA-N 1 3 309.374 -0.781 20 0 DBADHO CNS(=O)(=O)[C@H]1CCCN(C[C@@]2(O)CCC[NH2+]CC2)C1 ZINC001578745055 1020287825 /nfs/dbraw/zinc/28/78/25/1020287825.db2.gz RASBTMXNJDNVGI-QWHCGFSZSA-N 1 3 305.444 -0.495 20 0 DBADHO COCCN1CC[C@@H](NC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)C1 ZINC001579039650 1020355898 /nfs/dbraw/zinc/35/58/98/1020355898.db2.gz XDNBXUCXZFMUQR-TZMCWYRMSA-N 1 3 314.430 -0.687 20 0 DBADHO C[S@](=O)C1(C(=O)N2CC(N[C@H]3CCOC3)C2)CC[NH2+]CC1 ZINC001579355222 1020429964 /nfs/dbraw/zinc/42/99/64/1020429964.db2.gz QMGQCZAAIIVTTR-MQJDWESPSA-N 1 3 315.439 -0.924 20 0 DBADHO CN(C)C(=O)C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCN1C ZINC001508173672 1020540510 /nfs/dbraw/zinc/54/05/10/1020540510.db2.gz PBAGLWAFDSLTOJ-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO CN(CCOCCN[C@@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001508185441 1020543681 /nfs/dbraw/zinc/54/36/81/1020543681.db2.gz VMCDFZQQSKFEIJ-CYBMUJFWSA-N 1 3 324.425 -0.965 20 0 DBADHO O=C(C1=NOC2(C1)CC[NH2+]CC2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001580478279 1020727996 /nfs/dbraw/zinc/72/79/96/1020727996.db2.gz RADHBYFMLZLMAT-NWDGAFQWSA-N 1 3 308.382 -0.838 20 0 DBADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001580484986 1020730857 /nfs/dbraw/zinc/73/08/57/1020730857.db2.gz PDEMZXDTPXEULZ-SRVKXCTJSA-N 1 3 303.353 -0.101 20 0 DBADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001580484988 1020732454 /nfs/dbraw/zinc/73/24/54/1020732454.db2.gz PDEMZXDTPXEULZ-UTUOFQBUSA-N 1 3 303.353 -0.101 20 0 DBADHO O=S(=O)(CC1C[NH2+]C1)N1CCC(N2CC[C@H](O)C2)CC1 ZINC001580864009 1020809516 /nfs/dbraw/zinc/80/95/16/1020809516.db2.gz YSEGMVAPVTUUQA-ZDUSSCGKSA-N 1 3 303.428 -0.933 20 0 DBADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC001566574957 1024260618 /nfs/dbraw/zinc/26/06/18/1024260618.db2.gz PAAYFWCHYUJDMK-OLZOCXBDSA-N 1 3 324.425 -0.429 20 0 DBADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC001566574957 1024260645 /nfs/dbraw/zinc/26/06/45/1024260645.db2.gz PAAYFWCHYUJDMK-OLZOCXBDSA-N 1 3 324.425 -0.429 20 0 DBADHO CC[C@H](C(=O)NC[C@H](C)[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001567030116 1024483147 /nfs/dbraw/zinc/48/31/47/1024483147.db2.gz WLGYWCOBHSJNGK-NWDGAFQWSA-N 1 3 312.414 -0.430 20 0 DBADHO CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN1C ZINC001567475134 1024719141 /nfs/dbraw/zinc/71/91/41/1024719141.db2.gz CHDNELMADBCDRQ-OLZOCXBDSA-N 1 3 317.455 -0.437 20 0 DBADHO CN(CCNCC(=O)NCC(F)(F)F)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001567604637 1024803756 /nfs/dbraw/zinc/80/37/56/1024803756.db2.gz IZXKSDLFMSMVQE-JTQLQIEISA-N 1 3 324.347 -0.335 20 0 DBADHO CN(CCNCC(=O)NCC(F)(F)F)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001567604637 1024803758 /nfs/dbraw/zinc/80/37/58/1024803758.db2.gz IZXKSDLFMSMVQE-JTQLQIEISA-N 1 3 324.347 -0.335 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001568205083 1024875136 /nfs/dbraw/zinc/87/51/36/1024875136.db2.gz IROWGEJKZXDLCK-NEPJUHHUSA-N 1 3 312.414 -0.525 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@H](O)C[NH2+]CCO)N1CCCCC1 ZINC001568595267 1024963823 /nfs/dbraw/zinc/96/38/23/1024963823.db2.gz JLINGFYHHHDPOW-KBPBESRZSA-N 1 3 301.431 -0.444 20 0 DBADHO C[C@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001569019234 1025118423 /nfs/dbraw/zinc/11/84/23/1025118423.db2.gz PUYNXJXERVUYNY-CHWSQXEVSA-N 1 3 324.425 -0.429 20 0 DBADHO CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCCN1C ZINC001569189154 1025163222 /nfs/dbraw/zinc/16/32/22/1025163222.db2.gz VAACSUZVZGLKSB-VXGBXAGGSA-N 1 3 310.398 -0.676 20 0 DBADHO OC1(CN2CCOCC2)CCN(C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001574440706 1026790613 /nfs/dbraw/zinc/79/06/13/1026790613.db2.gz FPCOSKPHSOFWMM-MRXNPFEDSA-N 1 3 313.442 -0.740 20 0 DBADHO COCc1ncc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(N)n1 ZINC000554516076 412494713 /nfs/dbraw/zinc/49/47/13/412494713.db2.gz SGTFVMYAOYLXIV-UHFFFAOYSA-N 1 3 324.429 -0.229 20 0 DBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418770773 529779410 /nfs/dbraw/zinc/77/94/10/529779410.db2.gz VAHZWNMXHKXUET-UONOGXRCSA-N 1 3 313.446 -0.964 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC1 ZINC000340827059 138100096 /nfs/dbraw/zinc/10/00/96/138100096.db2.gz PIOAVSUCYQSEAD-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)C1CC1 ZINC000340827059 138100097 /nfs/dbraw/zinc/10/00/97/138100097.db2.gz PIOAVSUCYQSEAD-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358430663 138149755 /nfs/dbraw/zinc/14/97/55/138149755.db2.gz ZXYVNFIERMONQJ-HOCLYGCPSA-N 1 3 313.442 -0.038 20 0 DBADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358430664 138149968 /nfs/dbraw/zinc/14/99/68/138149968.db2.gz ZXYVNFIERMONQJ-ZBFHGGJFSA-N 1 3 313.442 -0.038 20 0 DBADHO O=C(NCCCN1CC[NH2+]CC1)N[C@@H]1CNCCC1(F)F ZINC000418290636 237324045 /nfs/dbraw/zinc/32/40/45/237324045.db2.gz SDZGZKBIRQVCBA-LLVKDONJSA-N 1 3 305.373 -0.422 20 0 DBADHO [NH3+][C@H](CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000418501333 237365017 /nfs/dbraw/zinc/36/50/17/237365017.db2.gz QYGMLCDDYIMWFM-CQSZACIVSA-N 1 3 323.441 -0.327 20 0 DBADHO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418703390 237379645 /nfs/dbraw/zinc/37/96/45/237379645.db2.gz QNHVCHKSBIGDRH-CHWSQXEVSA-N 1 3 311.430 -0.328 20 0 DBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000444167062 238274632 /nfs/dbraw/zinc/27/46/32/238274632.db2.gz KVKLIKNJGMGVMS-CQSZACIVSA-N 1 3 304.394 -0.044 20 0 DBADHO OC[C@@H](NC/C=C\C[NH2+][C@@H](CO)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000447916240 238344099 /nfs/dbraw/zinc/34/40/99/238344099.db2.gz UUPGYAYESQDIPC-BAPKMLMKSA-N 1 3 314.426 -0.198 20 0 DBADHO OC[C@@H]([NH2+]C/C=C\CN[C@@H](CO)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000447916240 238344102 /nfs/dbraw/zinc/34/41/02/238344102.db2.gz UUPGYAYESQDIPC-BAPKMLMKSA-N 1 3 314.426 -0.198 20 0 DBADHO OC[C@@H](NC/C=C\C[NH2+][C@@H](CO)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000447916241 238345264 /nfs/dbraw/zinc/34/52/64/238345264.db2.gz UUPGYAYESQDIPC-PEPYXVNMSA-N 1 3 314.426 -0.198 20 0 DBADHO OC[C@@H]([NH2+]C/C=C\CN[C@@H](CO)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000447916241 238345271 /nfs/dbraw/zinc/34/52/71/238345271.db2.gz UUPGYAYESQDIPC-PEPYXVNMSA-N 1 3 314.426 -0.198 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H](CC[NH3+])C(F)F)CC1=O ZINC000449620732 238354344 /nfs/dbraw/zinc/35/43/44/238354344.db2.gz FULYWZBWBYZAHZ-VHSXEESVSA-N 1 3 306.357 -0.505 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000420063673 541317730 /nfs/dbraw/zinc/31/77/30/541317730.db2.gz NPULQFYEFLLXFM-HZSPNIEDSA-N 1 3 308.426 -0.075 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1NCCc2ccccc21 ZINC000357233986 283844348 /nfs/dbraw/zinc/84/43/48/283844348.db2.gz ACSCIVZBPWXZLJ-HUUCEWRRSA-N 1 3 316.405 -0.142 20 0 DBADHO CN1CCC[C@H](N2CCC(C(=O)NCC[NH+](C)C)CC2)C1=O ZINC000554533747 283935053 /nfs/dbraw/zinc/93/50/53/283935053.db2.gz IIYGYDJVPMIKLD-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCc2nncn2C1 ZINC000559582519 283984598 /nfs/dbraw/zinc/98/45/98/283984598.db2.gz XZILUXRIMSNJBU-ZDUSSCGKSA-N 1 3 308.430 -0.208 20 0 DBADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000562827621 284015842 /nfs/dbraw/zinc/01/58/42/284015842.db2.gz KUKDHXIODBUULE-UHFFFAOYSA-N 1 3 322.384 -0.196 20 0 DBADHO CN(C)[C@@]1(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCSC1 ZINC000563588441 284043944 /nfs/dbraw/zinc/04/39/44/284043944.db2.gz MTFDDWFEKDTJLM-GXTWGEPZSA-N 1 3 315.487 -0.292 20 0 DBADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563548183 284042733 /nfs/dbraw/zinc/04/27/33/284042733.db2.gz ABVFFAORJWKBFY-YNEHKIRRSA-N 1 3 311.430 -0.330 20 0 DBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563548183 284042735 /nfs/dbraw/zinc/04/27/35/284042735.db2.gz ABVFFAORJWKBFY-YNEHKIRRSA-N 1 3 311.430 -0.330 20 0 DBADHO CC1CCN(C[C@@H](O)CNC(=O)COC2CC[NH2+]CC2)CC1 ZINC000564922741 284071973 /nfs/dbraw/zinc/07/19/73/284071973.db2.gz CQGBVXVYRAGGMF-AWEZNQCLSA-N 1 3 313.442 -0.036 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000564865138 284070023 /nfs/dbraw/zinc/07/00/23/284070023.db2.gz WMRXSISWGSVLGF-CQSZACIVSA-N 1 3 303.447 -0.374 20 0 DBADHO CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000564953802 284074452 /nfs/dbraw/zinc/07/44/52/284074452.db2.gz HBWUOFXYEOHCNO-GJZGRUSLSA-N 1 3 310.442 -0.350 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CCN2C1=O ZINC000565250419 284090844 /nfs/dbraw/zinc/09/08/44/284090844.db2.gz NFXKTPCBBMOWHP-IHRRRGAJSA-N 1 3 323.441 -0.153 20 0 DBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000565372664 284094131 /nfs/dbraw/zinc/09/41/31/284094131.db2.gz MUBRICUWQRJHEH-CYBMUJFWSA-N 1 3 314.430 -0.997 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643542797 374255510 /nfs/dbraw/zinc/25/55/10/374255510.db2.gz CVWJYXUMBKWCRD-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)C[C@@H]21 ZINC000643590391 374289632 /nfs/dbraw/zinc/28/96/32/374289632.db2.gz XEVPJSQEOLMJRE-SYQHCUMBSA-N 1 3 306.410 -0.641 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CCC1 ZINC000642698677 374292738 /nfs/dbraw/zinc/29/27/38/374292738.db2.gz DGJATJZSJQJCGG-YNEHKIRRSA-N 1 3 308.426 -0.217 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@]23CCC[C@@H]2C[NH2+]C3)CC1=O ZINC000634768405 374800528 /nfs/dbraw/zinc/80/05/28/374800528.db2.gz IPLROMPLIIFGRL-ZENOOKHLSA-N 1 3 308.426 -0.345 20 0 DBADHO CCN1CCN(CCNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236881356 374900802 /nfs/dbraw/zinc/90/08/02/374900802.db2.gz NDDYWJITLDRFNF-CYBMUJFWSA-N 1 3 300.472 -0.165 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000237168933 374959900 /nfs/dbraw/zinc/95/99/00/374959900.db2.gz DPWSRDBMAVPSLE-ICIURTGMSA-N 1 3 308.426 -0.204 20 0 DBADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000642904999 374979766 /nfs/dbraw/zinc/97/97/66/374979766.db2.gz DHIBWAGIIVIDDS-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000642904996 374980144 /nfs/dbraw/zinc/98/01/44/374980144.db2.gz DHIBWAGIIVIDDS-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1=O ZINC000248613764 375143980 /nfs/dbraw/zinc/14/39/80/375143980.db2.gz LMXGUOSHOUFLCS-RFQIPJPRSA-N 1 3 308.426 -0.408 20 0 DBADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000635975897 375292660 /nfs/dbraw/zinc/29/26/60/375292660.db2.gz DCPRQUOLEGLKCO-KFWWJZLASA-N 1 3 311.426 -0.187 20 0 DBADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000635975897 375292667 /nfs/dbraw/zinc/29/26/67/375292667.db2.gz DCPRQUOLEGLKCO-KFWWJZLASA-N 1 3 311.426 -0.187 20 0 DBADHO CC(C)[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)N1CCN(C)CC1 ZINC000317718166 375362889 /nfs/dbraw/zinc/36/28/89/375362889.db2.gz MUUPPEJCCSSYRR-LSDHHAIUSA-N 1 3 312.458 -0.247 20 0 DBADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3COCCN3)C2)CC1 ZINC000570512148 375366091 /nfs/dbraw/zinc/36/60/91/375366091.db2.gz CPJNINAOWNKOKO-HZPDHXFCSA-N 1 3 324.469 -0.008 20 0 DBADHO N[C@H]1C[C@H]2CN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CCN2C1=O ZINC000570529160 375368401 /nfs/dbraw/zinc/36/84/01/375368401.db2.gz KQZXMZNZZKYBGO-VGWMRTNUSA-N 1 3 318.421 -0.839 20 0 DBADHO CCN(CCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)C1CC1 ZINC000627365668 375378788 /nfs/dbraw/zinc/37/87/88/375378788.db2.gz WHMIUQQVWIKAAY-CYBMUJFWSA-N 1 3 308.426 -0.012 20 0 DBADHO COCCNCC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179853501 375525842 /nfs/dbraw/zinc/52/58/42/375525842.db2.gz FPVLTRMVXYMKQJ-CYBMUJFWSA-N 1 3 301.431 -0.226 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000364602955 375654176 /nfs/dbraw/zinc/65/41/76/375654176.db2.gz QZVCUQVFDNKDFN-WMLDXEAASA-N 1 3 320.437 -0.247 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N(C)[C@H]2CCC[NH2+]CC2)CC1=O ZINC000364644273 375655508 /nfs/dbraw/zinc/65/55/08/375655508.db2.gz ZSDXQAKDHAKZKV-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CCN2C1=O ZINC000594880718 375965217 /nfs/dbraw/zinc/96/52/17/375965217.db2.gz WPIIYXLTYGDVBW-CFVMTHIKSA-N 1 3 314.389 -0.009 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CCN2C1=O ZINC000594880722 375966216 /nfs/dbraw/zinc/96/62/16/375966216.db2.gz WPIIYXLTYGDVBW-YUELXQCFSA-N 1 3 314.389 -0.009 20 0 DBADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595264761 375984201 /nfs/dbraw/zinc/98/42/01/375984201.db2.gz CSIPJTUBLGRTKE-MCIONIFRSA-N 1 3 323.441 -0.186 20 0 DBADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595264761 375984205 /nfs/dbraw/zinc/98/42/05/375984205.db2.gz CSIPJTUBLGRTKE-MCIONIFRSA-N 1 3 323.441 -0.186 20 0 DBADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595264763 375985173 /nfs/dbraw/zinc/98/51/73/375985173.db2.gz CSIPJTUBLGRTKE-RDBSUJKOSA-N 1 3 323.441 -0.186 20 0 DBADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595264763 375985184 /nfs/dbraw/zinc/98/51/84/375985184.db2.gz CSIPJTUBLGRTKE-RDBSUJKOSA-N 1 3 323.441 -0.186 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCCCCC3)CCN2C1=O ZINC000595266519 375985769 /nfs/dbraw/zinc/98/57/69/375985769.db2.gz AIJMORDHAFGWCC-CHWSQXEVSA-N 1 3 323.441 -0.009 20 0 DBADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595269618 375986652 /nfs/dbraw/zinc/98/66/52/375986652.db2.gz VFMGBEQAILPQNH-MGPQQGTHSA-N 1 3 323.441 -0.186 20 0 DBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000595270060 375988872 /nfs/dbraw/zinc/98/88/72/375988872.db2.gz BOKQMTXGAQSGOT-XQHKEYJVSA-N 1 3 309.414 -0.720 20 0 DBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595270059 375989755 /nfs/dbraw/zinc/98/97/55/375989755.db2.gz BOKQMTXGAQSGOT-RNJOBUHISA-N 1 3 309.414 -0.720 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)c3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000595969584 376053653 /nfs/dbraw/zinc/05/36/53/376053653.db2.gz FSKLRNIFITWUDI-WFASDCNBSA-N 1 3 314.389 -0.284 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595997051 376066038 /nfs/dbraw/zinc/06/60/38/376066038.db2.gz KBTZMCQQJMCZCD-STQMWFEESA-N 1 3 315.414 -0.164 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC000602481510 376448107 /nfs/dbraw/zinc/44/81/07/376448107.db2.gz MEOUDJSRWZWTIK-MRXNPFEDSA-N 1 3 323.485 -0.482 20 0 DBADHO C[NH+](C)[C@]1(CNC(=O)NCCN2CC[C@@H](O)C2)CCSC1 ZINC000636900558 376591003 /nfs/dbraw/zinc/59/10/03/376591003.db2.gz DRYNOLWPPDVVAC-OCCSQVGLSA-N 1 3 316.471 -0.211 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@@H]1O ZINC000637263172 376760256 /nfs/dbraw/zinc/76/02/56/376760256.db2.gz GEBXYZUCKZIBGK-XQQFMLRXSA-N 1 3 302.419 -0.683 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC[C@@H]1O ZINC000637263172 376760261 /nfs/dbraw/zinc/76/02/61/376760261.db2.gz GEBXYZUCKZIBGK-XQQFMLRXSA-N 1 3 302.419 -0.683 20 0 DBADHO COCCN1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337650843 376859526 /nfs/dbraw/zinc/85/95/26/376859526.db2.gz JZMJNMBZTFDYFE-GXTWGEPZSA-N 1 3 302.419 -0.681 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N2CC[C@@H](C[NH+](C)C)C2)n1 ZINC000338690630 376962721 /nfs/dbraw/zinc/96/27/21/376962721.db2.gz YQJZDMQARLWHAC-LBPRGKRZSA-N 1 3 323.445 -0.672 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N2CC[C@H](C[NH+](C)C)C2)n1 ZINC000338690629 376963021 /nfs/dbraw/zinc/96/30/21/376963021.db2.gz YQJZDMQARLWHAC-GFCCVEGCSA-N 1 3 323.445 -0.672 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000531721076 377081050 /nfs/dbraw/zinc/08/10/50/377081050.db2.gz CIHHGZUUQUDRDU-KBPBESRZSA-N 1 3 308.426 -0.297 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000531721076 377081068 /nfs/dbraw/zinc/08/10/68/377081068.db2.gz CIHHGZUUQUDRDU-KBPBESRZSA-N 1 3 308.426 -0.297 20 0 DBADHO CN1CCN(C[C@H](O)C[NH2+][C@H](CO)CN2CCCCC2)CC1 ZINC000571165752 377153097 /nfs/dbraw/zinc/15/30/97/377153097.db2.gz KOISXYWAMQQTLY-JKSUJKDBSA-N 1 3 314.474 -0.969 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[NH2+]1 ZINC000627481433 377279084 /nfs/dbraw/zinc/27/90/84/377279084.db2.gz CRKKVOJBHMYHPQ-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637863802 377606070 /nfs/dbraw/zinc/60/60/70/377606070.db2.gz HDRCRADWAIFOER-HZPDHXFCSA-N 1 3 319.453 -0.453 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000637863798 377606531 /nfs/dbraw/zinc/60/65/31/377606531.db2.gz HDRCRADWAIFOER-CVEARBPZSA-N 1 3 319.453 -0.453 20 0 DBADHO COCCOCCN(C)CCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000637865868 377609524 /nfs/dbraw/zinc/60/95/24/377609524.db2.gz JAUMJRDDRXCGLR-KGLIPLIRSA-N 1 3 317.430 -0.454 20 0 DBADHO C[C@H]1CN(CCC[NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCCO1 ZINC000278022126 377614774 /nfs/dbraw/zinc/61/47/74/377614774.db2.gz WLRRAKPZEOMOEV-ZDUSSCGKSA-N 1 3 324.425 -0.326 20 0 DBADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)CN2CCNCC2)C1 ZINC000638392645 377890801 /nfs/dbraw/zinc/89/08/01/377890801.db2.gz FWXCNBPDTODYBI-RBSFLKMASA-N 1 3 310.442 -0.221 20 0 DBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000638128076 377848356 /nfs/dbraw/zinc/84/83/56/377848356.db2.gz PNGVHZDGPWLJHL-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137867 377849663 /nfs/dbraw/zinc/84/96/63/377849663.db2.gz PMGLVLQBEXBBOL-HOCLYGCPSA-N 1 3 312.458 -0.116 20 0 DBADHO C[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)CN1CCN(C)CC1 ZINC000638138279 377850084 /nfs/dbraw/zinc/85/00/84/377850084.db2.gz ZQRNLNUQDHJRJK-GDBMZVCRSA-N 1 3 312.458 -0.258 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638136926 377850550 /nfs/dbraw/zinc/85/05/50/377850550.db2.gz PGHGGKLKRCWNIC-IIAWOOMASA-N 1 3 312.458 -0.104 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000638137761 377850829 /nfs/dbraw/zinc/85/08/29/377850829.db2.gz NGSQJWZSAYYWGQ-DZKIICNBSA-N 1 3 312.458 -0.247 20 0 DBADHO CN1CCC[C@@H](N2CCN(C(=O)CN3CC[NH2+]CC3)CC2)C1 ZINC000638140307 377851128 /nfs/dbraw/zinc/85/11/28/377851128.db2.gz YITPDLGFGHDFDS-OAHLLOKOSA-N 1 3 309.458 -0.870 20 0 DBADHO CN(C(=O)[C@@]1(C)CNCCO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638428180 377911680 /nfs/dbraw/zinc/91/16/80/377911680.db2.gz SKKZBMAHDKJAGT-DOTOQJQBSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C(=O)[C@@]1(C)CNCCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638428180 377911682 /nfs/dbraw/zinc/91/16/82/377911682.db2.gz SKKZBMAHDKJAGT-DOTOQJQBSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH3+])CCOCC2)CC1=O ZINC000638538961 377984435 /nfs/dbraw/zinc/98/44/35/377984435.db2.gz CXBWWNPRHHKTRR-LBPRGKRZSA-N 1 3 312.414 -0.979 20 0 DBADHO COC[C@@]1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CCCCN1 ZINC000638754714 378073811 /nfs/dbraw/zinc/07/38/11/378073811.db2.gz DBIPJYGNSKEHLO-DZGCQCFKSA-N 1 3 322.413 -0.413 20 0 DBADHO COC[C@@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000638909018 378153412 /nfs/dbraw/zinc/15/34/12/378153412.db2.gz BOCVZIAQFIQBHG-DZGCQCFKSA-N 1 3 322.413 -0.331 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[NH2+]CC[C@@H]32)CC1=O ZINC000639026240 378299580 /nfs/dbraw/zinc/29/95/80/378299580.db2.gz YTZBQIDJJFGSAF-ZNMIVQPWSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCN(CCC(C)(C)[NH2+]Cc2cnc(N)nc2N)CC1 ZINC000639056750 378309102 /nfs/dbraw/zinc/30/91/02/378309102.db2.gz HKYNTLIYXYPKDS-UHFFFAOYSA-N 1 3 307.446 -0.193 20 0 DBADHO CN(CCN(C)C1CC[NH+](C)CC1)Cc1cnc(N)nc1N ZINC000639169647 378362380 /nfs/dbraw/zinc/36/23/80/378362380.db2.gz HWAWDZCEFUWGPV-UHFFFAOYSA-N 1 3 307.446 -0.240 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343312868 378339569 /nfs/dbraw/zinc/33/95/69/378339569.db2.gz QXNKGAHKUQMEAM-RISCZKNCSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343312868 378339575 /nfs/dbraw/zinc/33/95/75/378339575.db2.gz QXNKGAHKUQMEAM-RISCZKNCSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000617502551 378367007 /nfs/dbraw/zinc/36/70/07/378367007.db2.gz UBXYEQMSYNVAQO-RYUDHWBXSA-N 1 3 320.459 -0.934 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCS(=O)(=O)N1 ZINC000617502551 378367016 /nfs/dbraw/zinc/36/70/16/378367016.db2.gz UBXYEQMSYNVAQO-RYUDHWBXSA-N 1 3 320.459 -0.934 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC000617505466 378368206 /nfs/dbraw/zinc/36/82/06/378368206.db2.gz DFIFTXYHOJTZDU-KBPBESRZSA-N 1 3 300.447 -0.295 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC000617505466 378368209 /nfs/dbraw/zinc/36/82/09/378368209.db2.gz DFIFTXYHOJTZDU-KBPBESRZSA-N 1 3 300.447 -0.295 20 0 DBADHO C[C@@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)NC(N)=O ZINC000617502061 378368289 /nfs/dbraw/zinc/36/82/89/378368289.db2.gz AXKPTXZMUJCIDD-RYUDHWBXSA-N 1 3 301.435 -0.179 20 0 DBADHO C[C@@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)NC(N)=O ZINC000617502061 378368290 /nfs/dbraw/zinc/36/82/90/378368290.db2.gz AXKPTXZMUJCIDD-RYUDHWBXSA-N 1 3 301.435 -0.179 20 0 DBADHO CNS(=O)(=O)CCCNC1CC[NH+](CC(C)(C)O)CC1 ZINC000639380484 378483011 /nfs/dbraw/zinc/48/30/11/378483011.db2.gz ZGXCKRMWCJAABZ-UHFFFAOYSA-N 1 3 307.460 -0.249 20 0 DBADHO CN1CCN(C(=O)CCN2CCC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC000639769028 378641659 /nfs/dbraw/zinc/64/16/59/378641659.db2.gz VXRFERPASUBIEW-MRXNPFEDSA-N 1 3 312.458 -0.461 20 0 DBADHO CN(C)C[C@]1(O)CCC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000639769028 378641664 /nfs/dbraw/zinc/64/16/64/378641664.db2.gz VXRFERPASUBIEW-MRXNPFEDSA-N 1 3 312.458 -0.461 20 0 DBADHO CN(C)C[C@]1(O)CCC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000639769028 378641672 /nfs/dbraw/zinc/64/16/72/378641672.db2.gz VXRFERPASUBIEW-MRXNPFEDSA-N 1 3 312.458 -0.461 20 0 DBADHO COCCN(C)C[C@@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765960 378637560 /nfs/dbraw/zinc/63/75/60/378637560.db2.gz KWJBMPPOBSGTJZ-HUUCEWRRSA-N 1 3 303.447 -0.686 20 0 DBADHO NC(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(F)(F)F ZINC000353453800 378663641 /nfs/dbraw/zinc/66/36/41/378663641.db2.gz SBKINIWKVCDDHY-BQBZGAKWSA-N 1 3 322.253 -0.172 20 0 DBADHO CSCC[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600822 378673957 /nfs/dbraw/zinc/67/39/57/378673957.db2.gz XZWFFRLVJRCULU-RYUDHWBXSA-N 1 3 316.471 -0.230 20 0 DBADHO CSCC[C@H](N)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353600822 378673960 /nfs/dbraw/zinc/67/39/60/378673960.db2.gz XZWFFRLVJRCULU-RYUDHWBXSA-N 1 3 316.471 -0.230 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000354752836 378762682 /nfs/dbraw/zinc/76/26/82/378762682.db2.gz UISFXQOWXXHXKD-BZPMIXESSA-N 1 3 308.426 -0.014 20 0 DBADHO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000355354149 378808319 /nfs/dbraw/zinc/80/83/19/378808319.db2.gz RKFMCGJLWMOIIU-PMPSAXMXSA-N 1 3 322.453 -0.302 20 0 DBADHO CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000355354149 378808328 /nfs/dbraw/zinc/80/83/28/378808328.db2.gz RKFMCGJLWMOIIU-PMPSAXMXSA-N 1 3 322.453 -0.302 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000356505647 378884358 /nfs/dbraw/zinc/88/43/58/378884358.db2.gz MQDGDIUGLBKKGS-OAHLLOKOSA-N 1 3 314.474 -0.046 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000356505647 378884364 /nfs/dbraw/zinc/88/43/64/378884364.db2.gz MQDGDIUGLBKKGS-OAHLLOKOSA-N 1 3 314.474 -0.046 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)NCCCN(C)CC[NH+](C)C ZINC000356505647 378884371 /nfs/dbraw/zinc/88/43/71/378884371.db2.gz MQDGDIUGLBKKGS-OAHLLOKOSA-N 1 3 314.474 -0.046 20 0 DBADHO CC[NH+](CC)CCOCCNC(=O)NC[C@]1(O)CCN(C)C1 ZINC000358643862 379069984 /nfs/dbraw/zinc/06/99/84/379069984.db2.gz BELBNKNTUGDTLL-OAHLLOKOSA-N 1 3 316.446 -0.289 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000643453672 379645934 /nfs/dbraw/zinc/64/59/34/379645934.db2.gz QYXAUXYHZALKBI-KGLIPLIRSA-N 1 3 318.487 -0.187 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000118879805 379605227 /nfs/dbraw/zinc/60/52/27/379605227.db2.gz AOTCYBVPKYWVFO-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000118879805 379605231 /nfs/dbraw/zinc/60/52/31/379605231.db2.gz AOTCYBVPKYWVFO-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH2+]CCC1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000582295644 379615148 /nfs/dbraw/zinc/61/51/48/379615148.db2.gz LULUPFLDWQSSIE-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000171638345 379695192 /nfs/dbraw/zinc/69/51/92/379695192.db2.gz BJSKRGZIAFJXDB-OAHLLOKOSA-N 1 3 323.441 -0.366 20 0 DBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000584781741 379843191 /nfs/dbraw/zinc/84/31/91/379843191.db2.gz PJWVURFNYOBTQA-CVEARBPZSA-N 1 3 322.453 -0.001 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418424270 379873553 /nfs/dbraw/zinc/87/35/53/379873553.db2.gz GRTGFNCGXFGJQT-LBPRGKRZSA-N 1 3 311.430 -0.328 20 0 DBADHO O=C(NCC1(N2CCCC2)CCOCC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627385896 379886762 /nfs/dbraw/zinc/88/67/62/379886762.db2.gz ZVKFRXMUWPQHMY-CYBMUJFWSA-N 1 3 324.425 -0.774 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419680919 379962742 /nfs/dbraw/zinc/96/27/42/379962742.db2.gz RILLKEHIZLUHLY-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000419771008 379964841 /nfs/dbraw/zinc/96/48/41/379964841.db2.gz XNLXYXDDBZJDLI-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NCC[NH3+] ZINC000419829680 379975869 /nfs/dbraw/zinc/97/58/69/379975869.db2.gz FCJXKHHYGDSOEC-UHFFFAOYSA-N 1 3 310.373 -0.209 20 0 DBADHO NCCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419842326 379979749 /nfs/dbraw/zinc/97/97/49/379979749.db2.gz VRJIDNYVLNRWKK-GASCZTMLSA-N 1 3 316.405 -0.348 20 0 DBADHO NCCNC(=O)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000419842326 379979762 /nfs/dbraw/zinc/97/97/62/379979762.db2.gz VRJIDNYVLNRWKK-GASCZTMLSA-N 1 3 316.405 -0.348 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000419590520 379943608 /nfs/dbraw/zinc/94/36/08/379943608.db2.gz UEASTXMMGCRVBA-RISCZKNCSA-N 1 3 314.455 -0.640 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419671324 379950095 /nfs/dbraw/zinc/95/00/95/379950095.db2.gz FFHKQFPWWVFNQM-OLZOCXBDSA-N 1 3 314.430 -0.733 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CCO1 ZINC000419694250 379954307 /nfs/dbraw/zinc/95/43/07/379954307.db2.gz JZSKPZSXNKPRLH-GXTWGEPZSA-N 1 3 324.425 -0.694 20 0 DBADHO C[N@H+](CCNC(=O)C(=O)NC[C@H]1CNCCO1)C1CCCC1 ZINC000419700609 379955702 /nfs/dbraw/zinc/95/57/02/379955702.db2.gz XTTAOBIIWYDRKW-CYBMUJFWSA-N 1 3 312.414 -0.918 20 0 DBADHO C[N@@H+](CCNC(=O)C(=O)NC[C@H]1CNCCO1)C1CCCC1 ZINC000419700609 379955708 /nfs/dbraw/zinc/95/57/08/379955708.db2.gz XTTAOBIIWYDRKW-CYBMUJFWSA-N 1 3 312.414 -0.918 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C1CC1 ZINC000419697413 379956802 /nfs/dbraw/zinc/95/68/02/379956802.db2.gz QONUUJUOKVQPGA-OCCSQVGLSA-N 1 3 308.426 -0.027 20 0 DBADHO CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419737930 379962104 /nfs/dbraw/zinc/96/21/04/379962104.db2.gz UINAYWVQWXHDDX-NEPJUHHUSA-N 1 3 314.430 -0.326 20 0 DBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419866417 379985491 /nfs/dbraw/zinc/98/54/91/379985491.db2.gz BCCDTJGVCKCXMF-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H]2CC[NH2+]C2)o1 ZINC000419883979 379989112 /nfs/dbraw/zinc/98/91/12/379989112.db2.gz NIQICDGNLGRDTQ-ZDUSSCGKSA-N 1 3 322.409 -0.044 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419894276 379990684 /nfs/dbraw/zinc/99/06/84/379990684.db2.gz QVKSUGYVDTYPSW-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419904630 379991890 /nfs/dbraw/zinc/99/18/90/379991890.db2.gz YAASIZDSVWCTBV-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CC[NH2+]CCNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000419899902 379993245 /nfs/dbraw/zinc/99/32/45/379993245.db2.gz ZTVBWBOTEJVWSU-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419940560 380000338 /nfs/dbraw/zinc/00/03/38/380000338.db2.gz KYUNSBTZZOVHKJ-GFCCVEGCSA-N 1 3 310.398 -0.119 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CC1 ZINC000420069697 380019144 /nfs/dbraw/zinc/01/91/44/380019144.db2.gz VTVZTBFLNRJECV-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](C)C[NH3+] ZINC000420420249 380059458 /nfs/dbraw/zinc/05/94/58/380059458.db2.gz JWFROIMLWRPGKC-SNVBAGLBSA-N 1 3 317.459 -0.065 20 0 DBADHO C[NH2+][C@H](C)CNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420440514 380060789 /nfs/dbraw/zinc/06/07/89/380060789.db2.gz WVHQVMMDDXZUDG-SNVBAGLBSA-N 1 3 317.459 -0.052 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000572135513 380136654 /nfs/dbraw/zinc/13/66/54/380136654.db2.gz CGGGGOWMXLRFSD-KBPBESRZSA-N 1 3 308.426 -0.123 20 0 DBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000571885465 380123199 /nfs/dbraw/zinc/12/31/99/380123199.db2.gz OEYQQUOWBQTQGW-ARFHVFGLSA-N 1 3 324.469 -0.010 20 0 DBADHO O=C(N[C@H]1CNCCC1(F)F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572104820 380131931 /nfs/dbraw/zinc/13/19/31/380131931.db2.gz QTVACRGAONWUSE-RYUDHWBXSA-N 1 3 317.384 -0.327 20 0 DBADHO COC(=O)CN(CCN1CCN(C)CC1)CC1CC[NH2+]CC1 ZINC000262046607 380167164 /nfs/dbraw/zinc/16/71/64/380167164.db2.gz ZAUJURMESJOULI-UHFFFAOYSA-N 1 3 312.458 -0.292 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423268843 380319898 /nfs/dbraw/zinc/31/98/98/380319898.db2.gz VECKYPCCXVBZGJ-OLZOCXBDSA-N 1 3 314.430 -0.781 20 0 DBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423260893 380321197 /nfs/dbraw/zinc/32/11/97/380321197.db2.gz IQKSFKAYUSNFQU-CYBMUJFWSA-N 1 3 314.430 -0.637 20 0 DBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423358865 380327529 /nfs/dbraw/zinc/32/75/29/380327529.db2.gz CGPIVSXDOGXSOJ-GFCCVEGCSA-N 1 3 308.382 -0.271 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423365862 380329707 /nfs/dbraw/zinc/32/97/07/380329707.db2.gz KTUWEAQRRYAUBT-ZDUSSCGKSA-N 1 3 322.409 -0.010 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423147598 380311997 /nfs/dbraw/zinc/31/19/97/380311997.db2.gz DAWFEJTYVUQHPV-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1C[NH3+] ZINC000423216304 380316248 /nfs/dbraw/zinc/31/62/48/380316248.db2.gz RNSIAVFXAWJUDL-UONOGXRCSA-N 1 3 310.442 -0.016 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423510822 380340437 /nfs/dbraw/zinc/34/04/37/380340437.db2.gz OGFYWFBWBSHDAG-STQMWFEESA-N 1 3 308.426 -0.393 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423495883 380340599 /nfs/dbraw/zinc/34/05/99/380340599.db2.gz FQFPXVFTRJIKRM-INIZCTEOSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423511684 380341303 /nfs/dbraw/zinc/34/13/03/380341303.db2.gz AUEYHSFJZWEFLL-STQMWFEESA-N 1 3 308.426 -0.393 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423503380 380341668 /nfs/dbraw/zinc/34/16/68/380341668.db2.gz KQHMJEBFXBWWSM-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO Cc1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)c(=O)[nH]c1C ZINC000120222264 380436016 /nfs/dbraw/zinc/43/60/16/380436016.db2.gz PXYDTHXWSLCKLD-UHFFFAOYSA-N 1 3 309.414 -0.048 20 0 DBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)CCO1 ZINC000643498775 380486453 /nfs/dbraw/zinc/48/64/53/380486453.db2.gz UKKNOYODLBDCPW-KBPBESRZSA-N 1 3 324.425 -0.741 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)CC1CCN(C)CC1 ZINC000627463013 380487808 /nfs/dbraw/zinc/48/78/08/380487808.db2.gz KTTMLZPKQHHHEH-UHFFFAOYSA-N 1 3 314.430 -0.861 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)C[C@@H]1CCCN(C)C1 ZINC000627463836 380489609 /nfs/dbraw/zinc/48/96/09/380489609.db2.gz JXTZTQWWMLYDHD-CYBMUJFWSA-N 1 3 314.430 -0.861 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643502879 380493364 /nfs/dbraw/zinc/49/33/64/380493364.db2.gz UMPXCBOFUMQQFG-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643502878 380493470 /nfs/dbraw/zinc/49/34/70/380493470.db2.gz UMPXCBOFUMQQFG-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CC[C@H](N2CCCC2)C1 ZINC000643504130 380500203 /nfs/dbraw/zinc/50/02/03/380500203.db2.gz FEKYYHWLVBWWQW-SOUVJXGZSA-N 1 3 320.437 -0.107 20 0 DBADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCN2CCC[C@@H]2C1 ZINC000643513199 380530106 /nfs/dbraw/zinc/53/01/06/380530106.db2.gz DVACZYRCPPLGHN-PBHICJAKSA-N 1 3 320.437 -0.105 20 0 DBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)C[C@@H]21 ZINC000643513453 380532321 /nfs/dbraw/zinc/53/23/21/380532321.db2.gz WQCKLDZBRCVBIA-CBBWQLFWSA-N 1 3 320.437 -0.121 20 0 DBADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643513919 380533995 /nfs/dbraw/zinc/53/39/95/380533995.db2.gz MXIWBKPOAZCTPT-MJBXVCDLSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@H]1N(C)C ZINC000643520766 380548096 /nfs/dbraw/zinc/54/80/96/380548096.db2.gz MLZFVPDQTXMXOM-IOASZLSFSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H](CNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)N(C)C ZINC000454427715 380710327 /nfs/dbraw/zinc/71/03/27/380710327.db2.gz FZKLMNOMRLAAPO-STQMWFEESA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@@H](CNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1)N(C)C ZINC000454427715 380710331 /nfs/dbraw/zinc/71/03/31/380710331.db2.gz FZKLMNOMRLAAPO-STQMWFEESA-N 1 3 313.446 -0.177 20 0 DBADHO CS(=O)(=O)N1CC[C@@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629572503 380693413 /nfs/dbraw/zinc/69/34/13/380693413.db2.gz VCEXHQMMDVUWGA-QWHCGFSZSA-N 1 3 305.444 -0.686 20 0 DBADHO CS(=O)(=O)N1CC[C@H](CNC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629572501 380693533 /nfs/dbraw/zinc/69/35/33/380693533.db2.gz VCEXHQMMDVUWGA-CHWSQXEVSA-N 1 3 305.444 -0.686 20 0 DBADHO C[C@H]1C[NH2+]CC[C@@H]1CN1CCN(C(=O)N2CCNCC2)CC1 ZINC000629650524 380702400 /nfs/dbraw/zinc/70/24/00/380702400.db2.gz VJHUXJQVLAYHGG-LSDHHAIUSA-N 1 3 309.458 -0.125 20 0 DBADHO COCCN(C)CCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000458227689 380759617 /nfs/dbraw/zinc/75/96/17/380759617.db2.gz CUIYKFCIKGQCDQ-CQSZACIVSA-N 1 3 316.446 -0.289 20 0 DBADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458227689 380759620 /nfs/dbraw/zinc/75/96/20/380759620.db2.gz CUIYKFCIKGQCDQ-CQSZACIVSA-N 1 3 316.446 -0.289 20 0 DBADHO COCCN(C)CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458227689 380759624 /nfs/dbraw/zinc/75/96/24/380759624.db2.gz CUIYKFCIKGQCDQ-CQSZACIVSA-N 1 3 316.446 -0.289 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N(C)CCOCC[NH3+] ZINC000629801379 380725586 /nfs/dbraw/zinc/72/55/86/380725586.db2.gz KNEKJCCUOSHFQJ-UHFFFAOYSA-N 1 3 302.419 -0.781 20 0 DBADHO COCCN(C)C[C@@H](O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641220211 380867354 /nfs/dbraw/zinc/86/73/54/380867354.db2.gz AUOCXTMIVYUTAR-DZGCQCFKSA-N 1 3 311.430 -0.241 20 0 DBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000642104458 380990639 /nfs/dbraw/zinc/99/06/39/380990639.db2.gz XFMPVSMZZPFQER-TZMCWYRMSA-N 1 3 306.410 -0.261 20 0 DBADHO O=S(=O)(CCCN1CCCC1)NCCN1CC[NH2+]CC1 ZINC000631902246 381002485 /nfs/dbraw/zinc/00/24/85/381002485.db2.gz WSGNFNOBWFMKSW-UHFFFAOYSA-N 1 3 304.460 -0.703 20 0 DBADHO C[C@H](CNC(=O)N(C)CCOCC[NH3+])CN1CCN(C)CC1 ZINC000626986105 381048219 /nfs/dbraw/zinc/04/82/19/381048219.db2.gz AIVJTSYYXHKHDC-CQSZACIVSA-N 1 3 315.462 -0.513 20 0 DBADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000174180217 381039536 /nfs/dbraw/zinc/03/95/36/381039536.db2.gz ZWVVZWZIIUXTAX-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000174180217 381039543 /nfs/dbraw/zinc/03/95/43/381039543.db2.gz ZWVVZWZIIUXTAX-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO CCN(CC[NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000626964532 381040396 /nfs/dbraw/zinc/04/03/96/381040396.db2.gz TTYAYBXWGAMXEU-CYBMUJFWSA-N 1 3 313.446 -0.081 20 0 DBADHO [NH3+]C1(CNC(=O)N[C@H]2CCCN(CCCO)C2)CCOCC1 ZINC000627148463 381111276 /nfs/dbraw/zinc/11/12/76/381111276.db2.gz DLWVQHJZSZCJPO-ZDUSSCGKSA-N 1 3 314.430 -0.360 20 0 DBADHO C[NH2+]CCOCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000627172013 381118224 /nfs/dbraw/zinc/11/82/24/381118224.db2.gz PMDHSEHQGHIFBI-CYBMUJFWSA-N 1 3 302.419 -0.632 20 0 DBADHO C[NH2+]CCOCCNC(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000627174522 381119881 /nfs/dbraw/zinc/11/98/81/381119881.db2.gz QWMPKCGRCOMHCW-AWEZNQCLSA-N 1 3 315.462 -0.452 20 0 DBADHO C[NH2+]CCOCCNC(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000627174523 381120205 /nfs/dbraw/zinc/12/02/05/381120205.db2.gz QWMPKCGRCOMHCW-CQSZACIVSA-N 1 3 315.462 -0.452 20 0 DBADHO COc1cccc([C@@H](CNc2nc(N)nc(N)n2)N(C)C)c1 ZINC000623799984 381142482 /nfs/dbraw/zinc/14/24/82/381142482.db2.gz WPQCVOINROYSDX-LLVKDONJSA-N 1 3 303.370 -0.158 20 0 DBADHO COc1cccc([C@@H](CNc2nc(N)nc(N)n2)[NH+](C)C)c1 ZINC000623799984 381142490 /nfs/dbraw/zinc/14/24/90/381142490.db2.gz WPQCVOINROYSDX-LLVKDONJSA-N 1 3 303.370 -0.158 20 0 DBADHO C[C@H]1CC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[NH2+]1 ZINC000627210065 381146660 /nfs/dbraw/zinc/14/66/60/381146660.db2.gz LJMNXNCFVROXOG-DOERSZECSA-N 1 3 306.414 -0.003 20 0 DBADHO [NH3+]CCCOCCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000627220223 381152980 /nfs/dbraw/zinc/15/29/80/381152980.db2.gz OVEHPAOVGFCJKJ-ZDUSSCGKSA-N 1 3 302.419 -0.502 20 0 DBADHO [NH3+]CCCOCCNC(=O)N[C@@H]1CCCN(CCCO)C1 ZINC000627220222 381153224 /nfs/dbraw/zinc/15/32/24/381153224.db2.gz OVEHPAOVGFCJKJ-CYBMUJFWSA-N 1 3 302.419 -0.502 20 0 DBADHO [NH3+]CCCOCCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000627220266 381153728 /nfs/dbraw/zinc/15/37/28/381153728.db2.gz PGZVECQPRODSNM-ZDUSSCGKSA-N 1 3 302.419 -0.502 20 0 DBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1COCCN1 ZINC000627189757 381128727 /nfs/dbraw/zinc/12/87/27/381128727.db2.gz ZCEDZIDEZWXZCS-AWEZNQCLSA-N 1 3 315.462 -0.500 20 0 DBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@H]1COCCN1 ZINC000627189757 381128733 /nfs/dbraw/zinc/12/87/33/381128733.db2.gz ZCEDZIDEZWXZCS-AWEZNQCLSA-N 1 3 315.462 -0.500 20 0 DBADHO CN(CCCN(C)C(=O)NC[C@H]1COCCN1)CC[NH+](C)C ZINC000627189757 381128739 /nfs/dbraw/zinc/12/87/39/381128739.db2.gz ZCEDZIDEZWXZCS-AWEZNQCLSA-N 1 3 315.462 -0.500 20 0 DBADHO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000614066360 381226905 /nfs/dbraw/zinc/22/69/05/381226905.db2.gz CXMRNIAPMJQARZ-HOCLYGCPSA-N 1 3 310.442 -0.709 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627248448 381276109 /nfs/dbraw/zinc/27/61/09/381276109.db2.gz IGZFATDYMRHRCX-CYBMUJFWSA-N 1 3 309.414 -0.702 20 0 DBADHO CCN(C)C(=O)[C@@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530386037 381309593 /nfs/dbraw/zinc/30/95/93/381309593.db2.gz NKEJEDIDIFVTKJ-CYBMUJFWSA-N 1 3 315.462 -0.012 20 0 DBADHO CN(C)C[C@@H](CO)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614854216 381356746 /nfs/dbraw/zinc/35/67/46/381356746.db2.gz LMMNZHIDKDZJCB-DOTOQJQBSA-N 1 3 321.421 -0.338 20 0 DBADHO CN(C)C[C@@H](CO)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614854216 381356752 /nfs/dbraw/zinc/35/67/52/381356752.db2.gz LMMNZHIDKDZJCB-DOTOQJQBSA-N 1 3 321.421 -0.338 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cn[nH]c1=O ZINC000132485155 381441896 /nfs/dbraw/zinc/44/18/96/381441896.db2.gz DVXYAQMBSGYSGW-ZDUSSCGKSA-N 1 3 324.429 -0.554 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cn[nH]c1=O ZINC000132485155 381441900 /nfs/dbraw/zinc/44/19/00/381441900.db2.gz DVXYAQMBSGYSGW-ZDUSSCGKSA-N 1 3 324.429 -0.554 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000081366569 381557995 /nfs/dbraw/zinc/55/79/95/381557995.db2.gz KNMHLYOQEKVOLX-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000081366569 381558003 /nfs/dbraw/zinc/55/80/03/381558003.db2.gz KNMHLYOQEKVOLX-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000245473096 381564456 /nfs/dbraw/zinc/56/44/56/381564456.db2.gz ZWVVZWZIIUXTAX-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000245473096 381564461 /nfs/dbraw/zinc/56/44/61/381564461.db2.gz ZWVVZWZIIUXTAX-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000568294010 381753411 /nfs/dbraw/zinc/75/34/11/381753411.db2.gz IQFKBERYJICNER-HZSPNIEDSA-N 1 3 323.441 -0.186 20 0 DBADHO C[C@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCCO1 ZINC000568292940 381753883 /nfs/dbraw/zinc/75/38/83/381753883.db2.gz ZTIFRODARLBXQR-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN2CCC[C@@H]2C1 ZINC000573555629 381831431 /nfs/dbraw/zinc/83/14/31/381831431.db2.gz HWYKZPCIRNPLTI-HZSPNIEDSA-N 1 3 306.410 -0.639 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H]1N(C)C ZINC000573793507 381841071 /nfs/dbraw/zinc/84/10/71/381841071.db2.gz YVQTUJSLGMXQOB-CPUCHLNUSA-N 1 3 322.453 -0.003 20 0 DBADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000574823427 381879665 /nfs/dbraw/zinc/87/96/65/381879665.db2.gz LCHCXJMYTLFWIZ-MGPQQGTHSA-N 1 3 323.441 -0.328 20 0 DBADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000574823427 381879673 /nfs/dbraw/zinc/87/96/73/381879673.db2.gz LCHCXJMYTLFWIZ-MGPQQGTHSA-N 1 3 323.441 -0.328 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)COCc1ccnn1C ZINC000575939911 381905245 /nfs/dbraw/zinc/90/52/45/381905245.db2.gz BIEAUOREDFOLBW-UHFFFAOYSA-N 1 3 311.430 -0.112 20 0 DBADHO O=C(NCCNc1ccncc1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000578129544 381996050 /nfs/dbraw/zinc/99/60/50/381996050.db2.gz MXMGFJXCELMSPC-ZDUSSCGKSA-N 1 3 315.381 -0.139 20 0 DBADHO O=C(N[C@H]1CNCCC1(F)F)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000579956906 382103661 /nfs/dbraw/zinc/10/36/61/382103661.db2.gz WCIFKGMCJAXBQE-KOLCDFICSA-N 1 3 314.340 -0.243 20 0 DBADHO CS[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000579998756 382107366 /nfs/dbraw/zinc/10/73/66/382107366.db2.gz LXSHKILNMIZXOP-LBPRGKRZSA-N 1 3 318.487 -0.194 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000581009637 382124607 /nfs/dbraw/zinc/12/46/07/382124607.db2.gz RJJGCABNEKIAMT-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(CC[NH2+]3)CC2)CC1=O ZINC000581610521 382160951 /nfs/dbraw/zinc/16/09/51/382160951.db2.gz RJTZQLCGPMOXNF-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCOc1ccccc1CNC(=O)C(=O)NC1C[NH2+]C1 ZINC000642537993 382236367 /nfs/dbraw/zinc/23/63/67/382236367.db2.gz RQZPGBKLVRKPMJ-UHFFFAOYSA-N 1 3 320.393 -0.669 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)NCCOCCC[NH3+])CCC1 ZINC000627341576 382527857 /nfs/dbraw/zinc/52/78/57/382527857.db2.gz LFIRXHJURWYTRB-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1=O ZINC000621699225 382499189 /nfs/dbraw/zinc/49/91/89/382499189.db2.gz PEAPXTQBMKWAQT-IOASZLSFSA-N 1 3 308.426 -0.264 20 0 DBADHO CCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CC1 ZINC000621838052 382513673 /nfs/dbraw/zinc/51/36/73/382513673.db2.gz WSUAMLGLBQXCTD-WBMJQRKESA-N 1 3 308.426 -0.073 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621849322 382518984 /nfs/dbraw/zinc/51/89/84/382518984.db2.gz RVCBKZFYPLJGQX-DVOMOZLQSA-N 1 3 308.426 -0.073 20 0 DBADHO Nc1nc(N)nc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000624046788 382598299 /nfs/dbraw/zinc/59/82/99/382598299.db2.gz LMQQRSDGNMXDNA-QWRGUYRKSA-N 1 3 307.402 -0.702 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627488826 382633687 /nfs/dbraw/zinc/63/36/87/382633687.db2.gz JTUBYCLJXDMWIM-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO CCN(CCNC(=O)C(=O)NCC1([NH3+])CCOCC1)C1CC1 ZINC000627365354 382618924 /nfs/dbraw/zinc/61/89/24/382618924.db2.gz MNFXXHOLNYNCKJ-UHFFFAOYSA-N 1 3 312.414 -0.789 20 0 DBADHO C[C@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])N(C)C1CC1 ZINC000627372599 382619931 /nfs/dbraw/zinc/61/99/31/382619931.db2.gz RGJFAUCIYOXBSN-LLVKDONJSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000627379900 382620298 /nfs/dbraw/zinc/62/02/98/382620298.db2.gz ARTXTTAVWSJHCA-CYBMUJFWSA-N 1 3 312.414 -0.979 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445963 382628008 /nfs/dbraw/zinc/62/80/08/382628008.db2.gz CKNVGJXNOZWRSA-OLZOCXBDSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000627502157 382634690 /nfs/dbraw/zinc/63/46/90/382634690.db2.gz MKUCRQIPDNAOLW-BFHYXJOUSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CCOCC1 ZINC000627455141 382628379 /nfs/dbraw/zinc/62/83/79/382628379.db2.gz MHZSMQWTIVMQJQ-CYBMUJFWSA-N 1 3 324.425 -0.693 20 0 DBADHO CN1CCN(S(=O)(=O)CCCN2CCCC2)[C@@H](C[NH3+])C1 ZINC000631907908 382653691 /nfs/dbraw/zinc/65/36/91/382653691.db2.gz XBAIMEZXGDCBHG-ZDUSSCGKSA-N 1 3 304.460 -0.623 20 0 DBADHO C[NH2+]CCOCCN(C)S(=O)(=O)CCCN1CCCC1 ZINC000631954278 382657064 /nfs/dbraw/zinc/65/70/64/382657064.db2.gz GXUNRBHEESMHJH-UHFFFAOYSA-N 1 3 307.460 -0.030 20 0 DBADHO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)CCCN1CCCC1 ZINC000632136867 382661787 /nfs/dbraw/zinc/66/17/87/382661787.db2.gz WGSLBNKGVDARMO-ZDUSSCGKSA-N 1 3 307.460 -0.296 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)Cc1ncc[nH]1 ZINC000632487226 382672042 /nfs/dbraw/zinc/67/20/42/382672042.db2.gz COKGBJSSTPDRDR-UHFFFAOYSA-N 1 3 324.429 -0.680 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCC[NH+](C)C ZINC000632499272 382672069 /nfs/dbraw/zinc/67/20/69/382672069.db2.gz GVSABCDHCQRULX-LBPRGKRZSA-N 1 3 320.459 -0.680 20 0 DBADHO CN(C)CCn1cc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)cn1 ZINC000632774673 382678150 /nfs/dbraw/zinc/67/81/50/382678150.db2.gz PHCWXJUCTLDZAF-MRXNPFEDSA-N 1 3 323.441 -0.027 20 0 DBADHO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@H](N2CCCCC2)C1 ZINC000633089067 382681631 /nfs/dbraw/zinc/68/16/31/382681631.db2.gz KXMKBHLJCFYMGR-IHRRRGAJSA-N 1 3 306.410 -0.354 20 0 DBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633095349 382681956 /nfs/dbraw/zinc/68/19/56/382681956.db2.gz RRMFVJDAWMQIPY-STQMWFEESA-N 1 3 320.393 -0.258 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCCC[C@H]([NH3+])C3)C[C@@H]21 ZINC000633109786 382683299 /nfs/dbraw/zinc/68/32/99/382683299.db2.gz JDVKSOMPIPNVHV-RDBSUJKOSA-N 1 3 308.426 -0.121 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNC(N)=O ZINC000338091765 285243040 /nfs/dbraw/zinc/24/30/40/285243040.db2.gz OGGIRRIMMRREGC-CYBMUJFWSA-N 1 3 313.446 -0.081 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CCNC(N)=O ZINC000338091765 285243041 /nfs/dbraw/zinc/24/30/41/285243041.db2.gz OGGIRRIMMRREGC-CYBMUJFWSA-N 1 3 313.446 -0.081 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnnn1 ZINC000337592628 285243686 /nfs/dbraw/zinc/24/36/86/285243686.db2.gz YJVPSYMCULEWQM-CYBMUJFWSA-N 1 3 309.418 -0.452 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cnnn1 ZINC000337592628 285243687 /nfs/dbraw/zinc/24/36/87/285243687.db2.gz YJVPSYMCULEWQM-CYBMUJFWSA-N 1 3 309.418 -0.452 20 0 DBADHO COC[C@]1(CNC(=O)NCCNc2ccncc2)CCC[NH2+]1 ZINC000418647442 533233002 /nfs/dbraw/zinc/23/30/02/533233002.db2.gz YCUSHWOZYJIDGL-OAHLLOKOSA-N 1 3 307.398 -0.017 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@]2(C)CC[NH2+]C2)cn1 ZINC000237170923 391976830 /nfs/dbraw/zinc/97/68/30/391976830.db2.gz KEQURFSBKYCBFD-HNNXBMFYSA-N 1 3 322.413 -0.501 20 0 DBADHO CC1(OCC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CNC1 ZINC000649336568 392044503 /nfs/dbraw/zinc/04/45/03/392044503.db2.gz DUDXMRKZBYYYNO-ZDUSSCGKSA-N 1 3 311.426 -0.018 20 0 DBADHO CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CNCCO2)CC1 ZINC000649351677 392048281 /nfs/dbraw/zinc/04/82/81/392048281.db2.gz JEEQPMGCCJEBSK-AWEZNQCLSA-N 1 3 305.382 -0.240 20 0 DBADHO CN1CCN(CCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649349584 392049284 /nfs/dbraw/zinc/04/92/84/392049284.db2.gz OATXNOUAKDWEQN-LBPRGKRZSA-N 1 3 304.385 -0.015 20 0 DBADHO CN1CCN(CCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649349583 392049365 /nfs/dbraw/zinc/04/93/65/392049365.db2.gz OATXNOUAKDWEQN-GFCCVEGCSA-N 1 3 304.385 -0.015 20 0 DBADHO COC1(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)CC[NH2+]CC1 ZINC000649352800 392052502 /nfs/dbraw/zinc/05/25/02/392052502.db2.gz MTYCTSZXLMMWLR-HNNXBMFYSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H](C(=O)N1CCOCC1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649412365 392066675 /nfs/dbraw/zinc/06/66/75/392066675.db2.gz DFQURBIQDDSNDG-HOTGVXAUSA-N 1 3 324.469 -0.149 20 0 DBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418849305 392360781 /nfs/dbraw/zinc/36/07/81/392360781.db2.gz CZPSLERWYONLSK-OAHLLOKOSA-N 1 3 320.437 -0.047 20 0 DBADHO O=C([C@@H]1CNCCC1(F)F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000648138203 392361648 /nfs/dbraw/zinc/36/16/48/392361648.db2.gz UMDWMRSMXDAKIZ-NEPJUHHUSA-N 1 3 302.369 -0.263 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CNCCC1(F)F ZINC000647076320 392411566 /nfs/dbraw/zinc/41/15/66/392411566.db2.gz UYQSTTICXIYZEJ-VHSXEESVSA-N 1 3 304.341 -0.642 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419452230 392443380 /nfs/dbraw/zinc/44/33/80/392443380.db2.gz OWCGDKIWJUSOES-OLZOCXBDSA-N 1 3 314.430 -0.543 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccco1 ZINC000559279934 392482649 /nfs/dbraw/zinc/48/26/49/392482649.db2.gz JJNLEUMCVMHSGL-UHFFFAOYSA-N 1 3 310.398 -0.152 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1=O ZINC000158791446 392568828 /nfs/dbraw/zinc/56/88/28/392568828.db2.gz CUBAKBSFGMUNGV-BBRMVZONSA-N 1 3 308.426 -0.392 20 0 DBADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000164625746 392591555 /nfs/dbraw/zinc/59/15/55/392591555.db2.gz QSRKCEYMVCXTFM-UKRRQHHQSA-N 1 3 307.394 -0.034 20 0 DBADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000642961779 392688301 /nfs/dbraw/zinc/68/83/01/392688301.db2.gz WOKAZBNQKRHKFP-BFHYXJOUSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@H](CN)C2CC2)C1 ZINC000642961779 392688304 /nfs/dbraw/zinc/68/83/04/392688304.db2.gz WOKAZBNQKRHKFP-BFHYXJOUSA-N 1 3 308.426 -0.217 20 0 DBADHO CC1(C)NC(=O)N(CCN2CC[C@@H](N3CC[NH2+]CC3)C2)C1=O ZINC000319700208 392628679 /nfs/dbraw/zinc/62/86/79/392628679.db2.gz SWQISEWRKXJCFH-GFCCVEGCSA-N 1 3 309.414 -0.704 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000647728193 392827474 /nfs/dbraw/zinc/82/74/74/392827474.db2.gz HUPKVBATUFWKQS-WDEREUQCSA-N 1 3 318.368 -0.455 20 0 DBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(N)C(F)(F)F)CC1 ZINC000353434682 392948604 /nfs/dbraw/zinc/94/86/04/392948604.db2.gz VPNAEXIDSOCGGS-NSHDSACASA-N 1 3 324.347 -0.065 20 0 DBADHO O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000647977123 393030590 /nfs/dbraw/zinc/03/05/90/393030590.db2.gz XZIAGYLSBPJKSL-KGLIPLIRSA-N 1 3 308.426 -0.344 20 0 DBADHO COCCN(C)CCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417093449 393024913 /nfs/dbraw/zinc/02/49/13/393024913.db2.gz OJAZKCKUVHXOON-UHFFFAOYSA-N 1 3 301.435 -0.841 20 0 DBADHO COCCN(C)CCNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000417443095 393047782 /nfs/dbraw/zinc/04/77/82/393047782.db2.gz XCMJCRGSTHAUMR-UHFFFAOYSA-N 1 3 316.446 -0.120 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417570846 393061015 /nfs/dbraw/zinc/06/10/15/393061015.db2.gz SGTQZSDBJJBLNQ-UONOGXRCSA-N 1 3 314.430 -0.225 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417566801 393061124 /nfs/dbraw/zinc/06/11/24/393061124.db2.gz NCZFJNPZNYWGHE-ZIAGYGMSSA-N 1 3 313.446 -0.700 20 0 DBADHO CN(C)[C@@]1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCSC1 ZINC000351573983 393286813 /nfs/dbraw/zinc/28/68/13/393286813.db2.gz UMIQPGHVTNYYKV-BXUZGUMPSA-N 1 3 314.455 -0.592 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000331776105 393325655 /nfs/dbraw/zinc/32/56/55/393325655.db2.gz OKVMZULHWKZAOT-RFQIPJPRSA-N 1 3 308.426 -0.265 20 0 DBADHO CC[NH+](CC)CCOCCNC(=O)N1CCOC2(CNC2)C1 ZINC000418029852 393424557 /nfs/dbraw/zinc/42/45/57/393424557.db2.gz ZZALCXMVPMPQOX-UHFFFAOYSA-N 1 3 314.430 -0.271 20 0 DBADHO CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CCN(C2CC2)C1 ZINC000354698558 393433936 /nfs/dbraw/zinc/43/39/36/393433936.db2.gz AREKTHUQUYGJSC-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H](CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1)C[NH+](C)C ZINC000645558488 393476811 /nfs/dbraw/zinc/47/68/11/393476811.db2.gz FVFRCBDULQESDU-LBPRGKRZSA-N 1 3 324.429 -0.303 20 0 DBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419095034 393543003 /nfs/dbraw/zinc/54/30/03/393543003.db2.gz CASKXVAKKYOBQI-PWSUYJOCSA-N 1 3 312.414 -0.574 20 0 DBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419095034 393543006 /nfs/dbraw/zinc/54/30/06/393543006.db2.gz CASKXVAKKYOBQI-PWSUYJOCSA-N 1 3 312.414 -0.574 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418829887 393508862 /nfs/dbraw/zinc/50/88/62/393508862.db2.gz DUXIWPHIUSFLMA-CQSZACIVSA-N 1 3 306.410 -0.389 20 0 DBADHO C[C@H](CN1CCCCCC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419127125 393545556 /nfs/dbraw/zinc/54/55/56/393545556.db2.gz ZPICYMCBLGPRJE-CYBMUJFWSA-N 1 3 314.430 -0.853 20 0 DBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000418874974 393524342 /nfs/dbraw/zinc/52/43/42/393524342.db2.gz JRIDQHWIOWMXFV-GJZGRUSLSA-N 1 3 318.421 -0.165 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418879066 393525847 /nfs/dbraw/zinc/52/58/47/393525847.db2.gz RWPDXPVFAQWYOY-UKRRQHHQSA-N 1 3 320.437 -0.014 20 0 DBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419022252 393533998 /nfs/dbraw/zinc/53/39/98/393533998.db2.gz HYQHSBDHVWAWBP-XJFOESAGSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419405865 393572829 /nfs/dbraw/zinc/57/28/29/393572829.db2.gz HYMFUYYWDLLTIH-STQMWFEESA-N 1 3 312.414 -0.979 20 0 DBADHO C[C@H](C[NH3+])NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419371762 393569924 /nfs/dbraw/zinc/56/99/24/393569924.db2.gz JPIWLVWZZSRCRI-GFCCVEGCSA-N 1 3 318.421 -0.335 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000423583227 393601706 /nfs/dbraw/zinc/60/17/06/393601706.db2.gz BVNHLNNEYLJIBI-CHWSQXEVSA-N 1 3 312.414 -0.886 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419443727 393579787 /nfs/dbraw/zinc/57/97/87/393579787.db2.gz BWSVNKGGVMVYDP-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000419519002 393583256 /nfs/dbraw/zinc/58/32/56/393583256.db2.gz FCZBUJWTXUKYNS-OLZOCXBDSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN(CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1CC1 ZINC000419525302 393587359 /nfs/dbraw/zinc/58/73/59/393587359.db2.gz RMFOZFJQLRZCNU-QWHCGFSZSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@@H]1C[NH3+] ZINC000423724366 393615541 /nfs/dbraw/zinc/61/55/41/393615541.db2.gz HBHFUOYWVOQIKO-IGQOVBAYSA-N 1 3 308.426 -0.265 20 0 DBADHO C[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@H]1C[NH3+] ZINC000423724371 393615610 /nfs/dbraw/zinc/61/56/10/393615610.db2.gz HBHFUOYWVOQIKO-ZOBORPQBSA-N 1 3 308.426 -0.265 20 0 DBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000423740554 393618292 /nfs/dbraw/zinc/61/82/92/393618292.db2.gz IXZMKTKOIIMKTP-OAHLLOKOSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000423740554 393618300 /nfs/dbraw/zinc/61/83/00/393618300.db2.gz IXZMKTKOIIMKTP-OAHLLOKOSA-N 1 3 324.469 -0.007 20 0 DBADHO N[C@@H]1Cc2ccccc2N(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000424071832 393626687 /nfs/dbraw/zinc/62/66/87/393626687.db2.gz FJEKWZRONQZNCD-CHWSQXEVSA-N 1 3 302.378 -0.229 20 0 DBADHO C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000428987750 393685381 /nfs/dbraw/zinc/68/53/81/393685381.db2.gz XQZJWDJZQUGBHE-MJBXVCDLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000428987748 393685278 /nfs/dbraw/zinc/68/52/78/393685278.db2.gz XQZJWDJZQUGBHE-IHRRRGAJSA-N 1 3 310.442 -0.099 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458226025 393732236 /nfs/dbraw/zinc/73/22/36/393732236.db2.gz BZFGLKNJAXHDSC-CQSZACIVSA-N 1 3 316.446 -0.289 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000458226025 393732239 /nfs/dbraw/zinc/73/22/39/393732239.db2.gz BZFGLKNJAXHDSC-CQSZACIVSA-N 1 3 316.446 -0.289 20 0 DBADHO COC[C@]1(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[NH2+]C1 ZINC000646002916 393740170 /nfs/dbraw/zinc/74/01/70/393740170.db2.gz JNDNHDGJFGUMGL-WBVHZDCISA-N 1 3 324.469 -0.149 20 0 DBADHO COCCN(C)C[C@H](O)CN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000572493845 393713088 /nfs/dbraw/zinc/71/30/88/393713088.db2.gz BXOMYCIXOOLYNC-HNNXBMFYSA-N 1 3 317.474 -0.250 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000645904636 393726900 /nfs/dbraw/zinc/72/69/00/393726900.db2.gz CASZPXGRGHIFRE-GFCCVEGCSA-N 1 3 310.402 -0.533 20 0 DBADHO COCC1(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC[NH2+]CC1 ZINC000318824562 292218522 /nfs/dbraw/zinc/21/85/22/292218522.db2.gz FQNNTFGLVARLBV-KGLIPLIRSA-N 1 3 311.426 -0.018 20 0 DBADHO C[C@@H]([NH2+]CC1(N)CCC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000342143332 287018308 /nfs/dbraw/zinc/01/83/08/287018308.db2.gz SMYPTHKTPAVRBE-CYBMUJFWSA-N 1 3 318.425 -0.015 20 0 DBADHO O=C1CNCCN1[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266773 411627689 /nfs/dbraw/zinc/62/76/89/411627689.db2.gz OWJOQIUHPALOQS-ZIAGYGMSSA-N 1 3 308.426 -0.596 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)COC1CC[NH2+]CC1 ZINC000662659233 411643864 /nfs/dbraw/zinc/64/38/64/411643864.db2.gz JTXSVPFDEZIJDJ-UHFFFAOYSA-N 1 3 314.430 -0.767 20 0 DBADHO CN1CCC[C@H](N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)C1 ZINC000653125376 411646132 /nfs/dbraw/zinc/64/61/32/411646132.db2.gz XDDGWCMUIVLQOC-ZOBUZTSGSA-N 1 3 322.453 -0.539 20 0 DBADHO CN1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124659 411646407 /nfs/dbraw/zinc/64/64/07/411646407.db2.gz CXTAQQWOLPPYIC-HOCLYGCPSA-N 1 3 310.442 -0.634 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653148865 411649711 /nfs/dbraw/zinc/64/97/11/411649711.db2.gz NZYLVVRBWULYGI-KBPBESRZSA-N 1 3 300.447 -0.165 20 0 DBADHO CC(C)[N@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650818501 411690188 /nfs/dbraw/zinc/69/01/88/411690188.db2.gz NJJSSYPVXUMFTF-UHFFFAOYSA-N 1 3 313.446 -0.258 20 0 DBADHO CC(C)[N@@H+](C)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650818501 411690194 /nfs/dbraw/zinc/69/01/94/411690194.db2.gz NJJSSYPVXUMFTF-UHFFFAOYSA-N 1 3 313.446 -0.258 20 0 DBADHO CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000659107087 411701925 /nfs/dbraw/zinc/70/19/25/411701925.db2.gz JXPZUNBWAXVUFT-CYBMUJFWSA-N 1 3 324.429 -0.127 20 0 DBADHO NC[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(F)(F)F ZINC000655519837 411798258 /nfs/dbraw/zinc/79/82/58/411798258.db2.gz XYTYBRMUCZZIDN-IONNQARKSA-N 1 3 306.292 -0.178 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000652732165 411826514 /nfs/dbraw/zinc/82/65/14/411826514.db2.gz FAWZWBGCBLEQCE-CYBMUJFWSA-N 1 3 312.414 -0.883 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1=CC[NH2+]CC1 ZINC000659532727 411833008 /nfs/dbraw/zinc/83/30/08/411833008.db2.gz SHQDGUCDMNSZEH-UHFFFAOYSA-N 1 3 311.430 -0.433 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000659539196 411833890 /nfs/dbraw/zinc/83/38/90/411833890.db2.gz BXVPQAZLKRLQMK-NSHDSACASA-N 1 3 308.386 -0.042 20 0 DBADHO CC[NH+]1CCN(CCC(=O)N2CC(N3CC[C@@H](O)C3)C2)CC1 ZINC000652890032 411851227 /nfs/dbraw/zinc/85/12/27/411851227.db2.gz MMHCBWJZDFDYGU-OAHLLOKOSA-N 1 3 310.442 -0.709 20 0 DBADHO O=C(NC1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656019255 411988327 /nfs/dbraw/zinc/98/83/27/411988327.db2.gz DGVRAYWGNNLJLE-KBPBESRZSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022021 411988979 /nfs/dbraw/zinc/98/89/79/411988979.db2.gz RYGDXSGWPXOSQL-KBPBESRZSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656021767 411989198 /nfs/dbraw/zinc/98/91/98/411989198.db2.gz JOVVVKDMPJTEBO-BFHYXJOUSA-N 1 3 308.426 -0.012 20 0 DBADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)C1 ZINC000656029026 411990033 /nfs/dbraw/zinc/99/00/33/411990033.db2.gz UISVVHXZURTFKY-BFHYXJOUSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656029027 411990085 /nfs/dbraw/zinc/99/00/85/411990085.db2.gz UISVVHXZURTFKY-IHRRRGAJSA-N 1 3 308.426 -0.073 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656029408 411990759 /nfs/dbraw/zinc/99/07/59/411990759.db2.gz ZNAWSTUJDFEXJP-LXTVHRRPSA-N 1 3 320.437 -0.203 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656081096 411994395 /nfs/dbraw/zinc/99/43/95/411994395.db2.gz ABRYYNNARSVVGM-XBXGTLAGSA-N 1 3 310.442 -0.005 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000656196021 411999340 /nfs/dbraw/zinc/99/93/40/411999340.db2.gz UAIDBRCZHVSIMR-CHWSQXEVSA-N 1 3 304.460 -0.577 20 0 DBADHO NCC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000656787747 412012796 /nfs/dbraw/zinc/01/27/96/412012796.db2.gz UCMJQXWINKQJEN-KBPBESRZSA-N 1 3 306.414 -0.203 20 0 DBADHO NCC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000656787747 412012800 /nfs/dbraw/zinc/01/28/00/412012800.db2.gz UCMJQXWINKQJEN-KBPBESRZSA-N 1 3 306.414 -0.203 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CC2CN(C)C2)CC1 ZINC000658520654 412056536 /nfs/dbraw/zinc/05/65/36/412056536.db2.gz MFWHNGRDDITINU-UHFFFAOYSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)[N@@H+]1CCCN(C(=O)C(=O)N(C)CC2CN(C)C2)CC1 ZINC000658520654 412056541 /nfs/dbraw/zinc/05/65/41/412056541.db2.gz MFWHNGRDDITINU-UHFFFAOYSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)[N@H+]1CCCN(C(=O)C(=O)N(C)CC2CN(C)C2)CC1 ZINC000658520654 412056547 /nfs/dbraw/zinc/05/65/47/412056547.db2.gz MFWHNGRDDITINU-UHFFFAOYSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000658643203 412062881 /nfs/dbraw/zinc/06/28/81/412062881.db2.gz HCYJUEYJPWEJLD-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000658643203 412062885 /nfs/dbraw/zinc/06/28/85/412062885.db2.gz HCYJUEYJPWEJLD-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000658736719 412068087 /nfs/dbraw/zinc/06/80/87/412068087.db2.gz IPZUVXWSFMFTLV-UHFFFAOYSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2CNCCO2)cc1 ZINC000659080484 412078529 /nfs/dbraw/zinc/07/85/29/412078529.db2.gz RPFJBGLZULKYLA-AWEZNQCLSA-N 1 3 320.393 -0.036 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000659451454 412089231 /nfs/dbraw/zinc/08/92/31/412089231.db2.gz HMVHGLQTSUKZCQ-LBPRGKRZSA-N 1 3 313.446 -0.164 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)n1 ZINC000659550272 412093774 /nfs/dbraw/zinc/09/37/74/412093774.db2.gz FVPLAUPDRUFBPR-JTQLQIEISA-N 1 3 308.386 -0.028 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)NCC34CC(C3)C[NH2+]4)C2)nn1 ZINC000659612536 412095600 /nfs/dbraw/zinc/09/56/00/412095600.db2.gz WUNDCZOBRAYBIW-GLWUULTISA-N 1 3 319.413 -0.165 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000659628662 412097296 /nfs/dbraw/zinc/09/72/96/412097296.db2.gz IRLBJWLBYHVGMN-ZMLRMANQSA-N 1 3 320.397 -0.090 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000659676189 412101772 /nfs/dbraw/zinc/10/17/72/412101772.db2.gz FUMGJMXAOOPLOU-STQMWFEESA-N 1 3 314.430 -0.672 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659699904 412106991 /nfs/dbraw/zinc/10/69/91/412106991.db2.gz XIAJSRUENWEKIC-UHFFFAOYSA-N 1 3 314.430 -0.541 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCSC1 ZINC000659700915 412108038 /nfs/dbraw/zinc/10/80/38/412108038.db2.gz AXOTVMAOIBXQCG-CQSZACIVSA-N 1 3 316.471 -0.264 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659703113 412109960 /nfs/dbraw/zinc/10/99/60/412109960.db2.gz XIHVUEYZIILZBS-LGESCRJUSA-N 1 3 306.410 -0.321 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000659703113 412109965 /nfs/dbraw/zinc/10/99/65/412109965.db2.gz XIHVUEYZIILZBS-LGESCRJUSA-N 1 3 306.410 -0.321 20 0 DBADHO O=C(NCC1C[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000659715526 412113044 /nfs/dbraw/zinc/11/30/44/412113044.db2.gz WXLIFRZNHMZUGI-CYBMUJFWSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000659742099 412119415 /nfs/dbraw/zinc/11/94/15/412119415.db2.gz QEOSWRLIEDISRL-UUCFBXCCSA-N 1 3 320.437 -0.059 20 0 DBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659740582 412119938 /nfs/dbraw/zinc/11/99/38/412119938.db2.gz IIXIAMCDFBAALX-KFWWJZLASA-N 1 3 322.453 -0.099 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000659743045 412120084 /nfs/dbraw/zinc/12/00/84/412120084.db2.gz XXSCEIZBFBSQIK-XOYHFGRZSA-N 1 3 320.437 -0.059 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659744395 412120595 /nfs/dbraw/zinc/12/05/95/412120595.db2.gz UPJLQZRMOXDMQX-UHFFFAOYSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1C[C@H](N(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1C ZINC000659744384 412120643 /nfs/dbraw/zinc/12/06/43/412120643.db2.gz UIRDOMOVGIZKMC-ISGSLZAZSA-N 1 3 308.426 -0.204 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000659744009 412120883 /nfs/dbraw/zinc/12/08/83/412120883.db2.gz PGFVLULFGAKIMY-UHFFFAOYSA-N 1 3 308.426 -0.203 20 0 DBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000662407681 412182033 /nfs/dbraw/zinc/18/20/33/412182033.db2.gz HQLWJDFVQFMURR-STQMWFEESA-N 1 3 305.382 -0.207 20 0 DBADHO COCCN(C)CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662704291 412197135 /nfs/dbraw/zinc/19/71/35/412197135.db2.gz YRSCXSKDITZBPH-ZDUSSCGKSA-N 1 3 324.429 -0.099 20 0 DBADHO O=C(NCCCN1CCN(c2cc[nH+]cc2)CC1)C1(O)CNC1 ZINC000662760213 412200232 /nfs/dbraw/zinc/20/02/32/412200232.db2.gz XWAPKGHCVGKBSQ-UHFFFAOYSA-N 1 3 319.409 -0.956 20 0 DBADHO CN1CCC(CNC(=O)C2(O)CNC2)([NH+]2CCCCC2)CC1 ZINC000662755995 412200250 /nfs/dbraw/zinc/20/02/50/412200250.db2.gz FEBDACNXBDCTIB-UHFFFAOYSA-N 1 3 310.442 -0.613 20 0 DBADHO C[NH+]1CCC(CNC(=O)C2(O)CNC2)(N2CCCCC2)CC1 ZINC000662755995 412200254 /nfs/dbraw/zinc/20/02/54/412200254.db2.gz FEBDACNXBDCTIB-UHFFFAOYSA-N 1 3 310.442 -0.613 20 0 DBADHO CN(C(=O)[C@@H]1CNCCO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900663 412209820 /nfs/dbraw/zinc/20/98/20/412209820.db2.gz NOEZNRYEQVQJMR-GJZGRUSLSA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C(=O)[C@@H]1CNCCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900663 412209823 /nfs/dbraw/zinc/20/98/23/412209823.db2.gz NOEZNRYEQVQJMR-GJZGRUSLSA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C(=O)[C@@H]1CNCCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900663 412209826 /nfs/dbraw/zinc/20/98/26/412209826.db2.gz NOEZNRYEQVQJMR-GJZGRUSLSA-N 1 3 310.442 -0.398 20 0 DBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000662922856 412211908 /nfs/dbraw/zinc/21/19/08/412211908.db2.gz MMBMSFYVKNERKK-UHFFFAOYSA-N 1 3 319.409 -0.074 20 0 DBADHO CNC(=O)[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000660833196 412148651 /nfs/dbraw/zinc/14/86/51/412148651.db2.gz QGKCSSWXPZGASL-JHZNUDOXSA-N 1 3 308.426 -0.322 20 0 DBADHO CNC(=O)[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000660833196 412148654 /nfs/dbraw/zinc/14/86/54/412148654.db2.gz QGKCSSWXPZGASL-JHZNUDOXSA-N 1 3 308.426 -0.322 20 0 DBADHO CC(C)[N@H+](C)C[C@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000660911370 412149702 /nfs/dbraw/zinc/14/97/02/412149702.db2.gz CFOUCDCYBCWRRP-AWEZNQCLSA-N 1 3 300.447 -0.607 20 0 DBADHO CC(C)[N@@H+](C)C[C@H](O)CN1CCN(CCN(C)C)C(=O)C1 ZINC000660911370 412149706 /nfs/dbraw/zinc/14/97/06/412149706.db2.gz CFOUCDCYBCWRRP-AWEZNQCLSA-N 1 3 300.447 -0.607 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662929626 412214163 /nfs/dbraw/zinc/21/41/63/412214163.db2.gz CRJPSKZACHECKF-UHFFFAOYSA-N 1 3 302.419 -0.781 20 0 DBADHO CC(C)(C)n1nnc(CCN2CC[C@H](N3CC[NH2+]CC3)C2)n1 ZINC000662278048 412172950 /nfs/dbraw/zinc/17/29/50/412172950.db2.gz ZYRQPDPQLWXGKI-ZDUSSCGKSA-N 1 3 307.446 -0.050 20 0 DBADHO CO[C@@H]1COC[C@@H]1NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665118729 412271396 /nfs/dbraw/zinc/27/13/96/412271396.db2.gz MKRMBOILLLCGQY-MELADBBJSA-N 1 3 316.446 -0.029 20 0 DBADHO CO[C@@H]1COC[C@@H]1NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665118729 412271400 /nfs/dbraw/zinc/27/14/00/412271400.db2.gz MKRMBOILLLCGQY-MELADBBJSA-N 1 3 316.446 -0.029 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000662947409 412217376 /nfs/dbraw/zinc/21/73/76/412217376.db2.gz OCLWRXAKCRDFQD-NSHDSACASA-N 1 3 319.287 -0.201 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCC1 ZINC000662944045 412217390 /nfs/dbraw/zinc/21/73/90/412217390.db2.gz HXEMQIVVFCEIAJ-UHFFFAOYSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCN(C)C1=O ZINC000664193923 412250262 /nfs/dbraw/zinc/25/02/62/412250262.db2.gz ZWXVCTPMRFODQG-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCN(C)C1=O ZINC000664193923 412250265 /nfs/dbraw/zinc/25/02/65/412250265.db2.gz ZWXVCTPMRFODQG-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO CN(CCNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CC1 ZINC000446772042 412290015 /nfs/dbraw/zinc/29/00/15/412290015.db2.gz BRLNLCMOMCJVQK-UHFFFAOYSA-N 1 3 322.413 -0.406 20 0 DBADHO COCCN1CC[C@H](NC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000438696775 412397011 /nfs/dbraw/zinc/39/70/11/412397011.db2.gz JHRPFCOFSOXKOG-ZDUSSCGKSA-N 1 3 324.429 0.287 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCN(C)C(=O)C1 ZINC000665758956 418939449 /nfs/dbraw/zinc/93/94/49/418939449.db2.gz VGWFVAKXIPRCPW-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCN(C)C(=O)C1 ZINC000665758956 418939453 /nfs/dbraw/zinc/93/94/53/418939453.db2.gz VGWFVAKXIPRCPW-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO CN1CCC[C@H](NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C1 ZINC000669403257 544561691 /nfs/dbraw/zinc/56/16/91/544561691.db2.gz QIXVQORHOQZJRB-OLZOCXBDSA-N 1 3 311.430 -0.423 20 0 DBADHO C[NH+](C)C1(CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CCC1 ZINC000672980394 544604186 /nfs/dbraw/zinc/60/41/86/544604186.db2.gz AHHYMZIKSCYNSW-CYBMUJFWSA-N 1 3 308.426 -0.107 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC1=O ZINC000667811461 544749437 /nfs/dbraw/zinc/74/94/37/544749437.db2.gz MUWSLTBQQZDTBG-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC1=O ZINC000667811461 544749443 /nfs/dbraw/zinc/74/94/43/544749443.db2.gz MUWSLTBQQZDTBG-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC(=O)N1 ZINC000684004504 545016481 /nfs/dbraw/zinc/01/64/81/545016481.db2.gz WJOXTDWLYUITNM-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000685303236 545029295 /nfs/dbraw/zinc/02/92/95/545029295.db2.gz NWJRZSWCNYOINR-DHMWGJHJSA-N 1 3 322.453 -0.006 20 0 DBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@H]1C ZINC000419159096 265769799 /nfs/dbraw/zinc/76/97/99/265769799.db2.gz YSLWXFVKPUHWOC-WOPDTQHZSA-N 1 3 314.430 -0.328 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419411978 265788050 /nfs/dbraw/zinc/78/80/50/265788050.db2.gz CEXCTBMMQJPKQP-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419452229 265792589 /nfs/dbraw/zinc/79/25/89/265792589.db2.gz OWCGDKIWJUSOES-CHWSQXEVSA-N 1 3 314.430 -0.543 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419904627 265825561 /nfs/dbraw/zinc/82/55/61/265825561.db2.gz YAASIZDSVWCTBV-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)S(=O)(=O)CCCN1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609859 266007293 /nfs/dbraw/zinc/00/72/93/266007293.db2.gz IUWGZOBCNWMIBW-GFCCVEGCSA-N 1 3 320.459 -0.945 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000431030898 266016536 /nfs/dbraw/zinc/01/65/36/266016536.db2.gz SPPPKRVBINIYJD-AWEZNQCLSA-N 1 3 312.458 -0.103 20 0 DBADHO COC(=O)N1CC(NC(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000492229692 266156732 /nfs/dbraw/zinc/15/67/32/266156732.db2.gz NLMGZWJLIWTPQZ-UHFFFAOYSA-N 1 3 315.418 -0.428 20 0 DBADHO CN(C)C/C=C/C(=O)NC1(CNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000493129110 266170578 /nfs/dbraw/zinc/17/05/78/266170578.db2.gz LUMHZHIJJUURHT-CGXWXWIYSA-N 1 3 308.426 -0.013 20 0 DBADHO CN(C)C/C=C\C(=O)NCC1(NC(=O)/C=C/C[NH+](C)C)CC1 ZINC000493129110 266170582 /nfs/dbraw/zinc/17/05/82/266170582.db2.gz LUMHZHIJJUURHT-CGXWXWIYSA-N 1 3 308.426 -0.013 20 0 DBADHO C[NH+](C)C[C@H](O)CNC[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496761849 266244939 /nfs/dbraw/zinc/24/49/39/266244939.db2.gz YICSZKBEQNBWKG-RISCZKNCSA-N 1 3 305.419 -0.226 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000516648001 266283764 /nfs/dbraw/zinc/28/37/64/266283764.db2.gz RKMXLZXTPOQFDZ-ZDUSSCGKSA-N 1 3 324.429 -0.142 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000517123451 266289561 /nfs/dbraw/zinc/28/95/61/266289561.db2.gz LUJMEJMVXSWCHR-LXTVHRRPSA-N 1 3 320.437 -0.251 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CCN2C1=O ZINC000519182981 266307502 /nfs/dbraw/zinc/30/75/02/266307502.db2.gz FQBXHOGQTQKKPP-KBVBSXBZSA-N 1 3 320.315 -0.701 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CCN2C1=O ZINC000519182983 266307714 /nfs/dbraw/zinc/30/77/14/266307714.db2.gz FQBXHOGQTQKKPP-SBMIAAHKSA-N 1 3 320.315 -0.701 20 0 DBADHO O=C(CN1CCN(CC[C@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000519822131 266316952 /nfs/dbraw/zinc/31/69/52/266316952.db2.gz LMRAKDQYOVOFDJ-OAHLLOKOSA-N 1 3 310.442 -0.538 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)C1 ZINC000521858925 266330667 /nfs/dbraw/zinc/33/06/67/266330667.db2.gz BPVRFTJNICNNHC-RFQIPJPRSA-N 1 3 308.426 -0.265 20 0 DBADHO CC(C)C(=O)NCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525438942 266344888 /nfs/dbraw/zinc/34/48/88/266344888.db2.gz UWIDTNVCMKCZJL-UHFFFAOYSA-N 1 3 315.462 -0.107 20 0 DBADHO CCn1ncnc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000525998355 266350881 /nfs/dbraw/zinc/35/08/81/266350881.db2.gz JCGGQYJIDZOZDS-UHFFFAOYSA-N 1 3 311.434 -0.067 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CCN2C1=O ZINC000529349403 266387332 /nfs/dbraw/zinc/38/73/32/266387332.db2.gz KSJLKXAPYUUYOU-TUAOUCFPSA-N 1 3 307.398 -0.776 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1=O ZINC000158791279 289159175 /nfs/dbraw/zinc/15/91/75/289159175.db2.gz CUBAKBSFGMUNGV-CJNGLKHVSA-N 1 3 308.426 -0.392 20 0 DBADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000458706020 289168047 /nfs/dbraw/zinc/16/80/47/289168047.db2.gz ZNZNUFGEGPTNQM-AWEZNQCLSA-N 1 3 316.446 -0.289 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000331767016 289310175 /nfs/dbraw/zinc/31/01/75/289310175.db2.gz GUXBCFJIXAIDJW-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1C[C@@H](CN2CCN(C(=O)CN3CCOCC3)CC2)CC[NH2+]1 ZINC000414683745 297252301 /nfs/dbraw/zinc/25/23/01/297252301.db2.gz ULYBETUEVXUFEJ-CVEARBPZSA-N 1 3 324.469 -0.149 20 0 DBADHO C[C@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1C[NH2+]C1 ZINC000357250332 298152789 /nfs/dbraw/zinc/15/27/89/298152789.db2.gz UDTZLEZHXMXOHQ-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332666675 300311900 /nfs/dbraw/zinc/31/19/00/300311900.db2.gz YGJRCTAKFVBTLD-GXTWGEPZSA-N 1 3 308.426 -0.121 20 0 DBADHO N[C@@H](Cc1ccccc1)C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000569482350 332101097 /nfs/dbraw/zinc/10/10/97/332101097.db2.gz HSRJCDJGRMBTLX-LBPRGKRZSA-N 1 3 315.381 -0.277 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000569572549 332142097 /nfs/dbraw/zinc/14/20/97/332142097.db2.gz BYSOQCGNPUTVLN-HZPDHXFCSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000580182142 332989141 /nfs/dbraw/zinc/98/91/41/332989141.db2.gz JKZAGGHEEBCHKV-BFHYXJOUSA-N 1 3 308.426 -0.264 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@](C)(O)C[NH2+]C)CC1 ZINC000582365456 336945962 /nfs/dbraw/zinc/94/59/62/336945962.db2.gz VUUJVGRNFGYUDG-OAHLLOKOSA-N 1 3 300.447 -0.557 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000582839777 337207649 /nfs/dbraw/zinc/20/76/49/337207649.db2.gz LIBVJNLKCCNNSI-LXTVHRRPSA-N 1 3 320.437 -0.251 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCC3=CC[NH2+]CC3)CCN2C1=O ZINC000582916471 337217575 /nfs/dbraw/zinc/21/75/75/337217575.db2.gz UPCYIWGXNYSJEA-CHWSQXEVSA-N 1 3 307.398 -0.750 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCSC1 ZINC000582916193 337217653 /nfs/dbraw/zinc/21/76/53/337217653.db2.gz SUNMUHFGBVTVDV-GWCFXTLKSA-N 1 3 300.428 -0.982 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CCCC[NH3+])cn1 ZINC000582961735 337219099 /nfs/dbraw/zinc/21/90/99/337219099.db2.gz AZRMXVMPMGTKCG-UHFFFAOYSA-N 1 3 310.402 -0.372 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000583078832 337236408 /nfs/dbraw/zinc/23/64/08/337236408.db2.gz OWPMZBHUYDMBKE-XLWJZTARSA-N 1 3 320.437 -0.123 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000583269954 337297443 /nfs/dbraw/zinc/29/74/43/337297443.db2.gz MIFSRBLXFBOEAF-MBNYWOFBSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000583269954 337297444 /nfs/dbraw/zinc/29/74/44/337297444.db2.gz MIFSRBLXFBOEAF-MBNYWOFBSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H](NC(=O)[C@@H](C)C1C[NH2+]C1)C(=O)NCCN1CCCCC1 ZINC000584409840 337320811 /nfs/dbraw/zinc/32/08/11/337320811.db2.gz XMHZWRLGULCWHN-QWHCGFSZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+]1CCC(CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000584541394 337359788 /nfs/dbraw/zinc/35/97/88/337359788.db2.gz GJOLWJDTECTMHT-KGLIPLIRSA-N 1 3 323.441 -0.328 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000573817723 341740323 /nfs/dbraw/zinc/74/03/23/341740323.db2.gz ZQAUIWSUCSXZPF-MELADBBJSA-N 1 3 302.378 -0.153 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577852001 341943157 /nfs/dbraw/zinc/94/31/57/341943157.db2.gz SNXNYEUUQSTIKZ-HIFRSBDPSA-N 1 3 310.442 -0.066 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331778060 519688820 /nfs/dbraw/zinc/68/88/20/519688820.db2.gz HCLWQSPUPGHGPJ-KKUMJFAQSA-N 1 3 322.453 -0.005 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000345805671 520574538 /nfs/dbraw/zinc/57/45/38/520574538.db2.gz OGIWAJOUKUOAQC-NSHDSACASA-N 1 3 320.384 -0.019 20 0 DBADHO CC[N@H+](CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CC1 ZINC000345806808 521070269 /nfs/dbraw/zinc/07/02/69/521070269.db2.gz PMMSICVNFHXZMC-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](CCNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CC1 ZINC000345806808 521070271 /nfs/dbraw/zinc/07/02/71/521070271.db2.gz PMMSICVNFHXZMC-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[NH+](CCCCNC(=O)[C@H]2NCCO[C@@H]2C)CC1 ZINC000344312537 521679542 /nfs/dbraw/zinc/67/95/42/521679542.db2.gz NQVKIWAZBFGLLP-CABCVRRESA-N 1 3 312.458 -0.103 20 0 DBADHO CC[NH+]1CCN(CCCCNC(=O)[C@H]2NCCO[C@@H]2C)CC1 ZINC000344312537 521679544 /nfs/dbraw/zinc/67/95/44/521679544.db2.gz NQVKIWAZBFGLLP-CABCVRRESA-N 1 3 312.458 -0.103 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000332626467 522035492 /nfs/dbraw/zinc/03/54/92/522035492.db2.gz CWPOICBDVUDZMK-BFHYXJOUSA-N 1 3 308.426 -0.393 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333742718 523844689 /nfs/dbraw/zinc/84/46/89/523844689.db2.gz XUMUUDXBPJKQGY-KBPBESRZSA-N 1 3 323.441 -0.314 20 0 DBADHO C[C@H](CN(C)C)NC(=O)CSCC(=O)N[C@H](C)C[NH+](C)C ZINC000346137516 524290069 /nfs/dbraw/zinc/29/00/69/524290069.db2.gz FLARPPDKXNXUIS-VXGBXAGGSA-N 1 3 318.487 -0.148 20 0 DBADHO C[C@H](CO)N1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000347201730 524549426 /nfs/dbraw/zinc/54/94/26/524549426.db2.gz CCDMISLRFLTOCY-HUUCEWRRSA-N 1 3 310.442 -0.709 20 0 DBADHO C[C@H](CO)N1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000347201730 524549433 /nfs/dbraw/zinc/54/94/33/524549433.db2.gz CCDMISLRFLTOCY-HUUCEWRRSA-N 1 3 310.442 -0.709 20 0 DBADHO C[C@@H](CN(C)C)NC(=O)CC(O)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346181822 524571599 /nfs/dbraw/zinc/57/15/99/524571599.db2.gz BTWYGQNPLHZXJT-RYUDHWBXSA-N 1 3 316.446 -0.740 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H]1N(C)C ZINC000331744151 524742693 /nfs/dbraw/zinc/74/26/93/524742693.db2.gz CBYNCPKEWAXOCN-SEBNEYGDSA-N 1 3 322.453 -0.019 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000332121935 525086954 /nfs/dbraw/zinc/08/69/54/525086954.db2.gz ZCIXEBXFDAIVOA-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000333592465 525552856 /nfs/dbraw/zinc/55/28/56/525552856.db2.gz PGJLNIGWEKDEHW-SCUASFONSA-N 1 3 306.414 -0.003 20 0 DBADHO C[C@@]1(CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000332111899 525831428 /nfs/dbraw/zinc/83/14/28/525831428.db2.gz CIRTUBVVPVOLGW-CZUORRHYSA-N 1 3 308.426 -0.201 20 0 DBADHO CC(C)C[C@H](NC(=O)N[C@H](C)C[NH3+])C(=O)NCCN(C)C ZINC000418527594 528565661 /nfs/dbraw/zinc/56/56/61/528565661.db2.gz QUOKAURXIKFXAU-NEPJUHHUSA-N 1 3 301.435 -0.275 20 0 DBADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000372231461 535971556 /nfs/dbraw/zinc/97/15/56/535971556.db2.gz BBTCFGHAEFQHDC-UMVBOHGHSA-N 1 3 314.430 -0.539 20 0 DBADHO O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000978562573 665543679 /nfs/dbraw/zinc/54/36/79/665543679.db2.gz UHZYDZUJGGLJDY-KSOAXJBMSA-N 1 3 321.421 -0.864 20 0 DBADHO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@@H]1CN2CC3CC2(C3)CO1 ZINC000978562573 665543684 /nfs/dbraw/zinc/54/36/84/665543684.db2.gz UHZYDZUJGGLJDY-KSOAXJBMSA-N 1 3 321.421 -0.864 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978986039 665590452 /nfs/dbraw/zinc/59/04/52/665590452.db2.gz NMLCHLKVZFTNNP-FQUUOJAGSA-N 1 3 320.437 -0.360 20 0 DBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980398191 665758277 /nfs/dbraw/zinc/75/82/77/665758277.db2.gz VHBGBAAUVICEMJ-UONOGXRCSA-N 1 3 323.441 -0.504 20 0 DBADHO CN(CCN1CCNC1=O)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000980398191 665758280 /nfs/dbraw/zinc/75/82/80/665758280.db2.gz VHBGBAAUVICEMJ-UONOGXRCSA-N 1 3 323.441 -0.504 20 0 DBADHO C[N@H+](CCn1cncn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407468 665759307 /nfs/dbraw/zinc/75/93/07/665759307.db2.gz YFKFLOLVRLZZOZ-CQSZACIVSA-N 1 3 306.414 -0.093 20 0 DBADHO C[N@@H+](CCn1cncn1)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407468 665759309 /nfs/dbraw/zinc/75/93/09/665759309.db2.gz YFKFLOLVRLZZOZ-CQSZACIVSA-N 1 3 306.414 -0.093 20 0 DBADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020407297 663801591 /nfs/dbraw/zinc/80/15/91/663801591.db2.gz XNVZPRJGVWWZFV-ZGTRSVAKSA-N 1 3 309.410 -0.533 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCCN(C)C2=O)C1 ZINC000969595268 663849546 /nfs/dbraw/zinc/84/95/46/663849546.db2.gz TZJWQFPANMDHMV-HZSPNIEDSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC001020590401 663870818 /nfs/dbraw/zinc/87/08/18/663870818.db2.gz VJDIJFMJBGHICX-XUXIUFHCSA-N 1 3 308.426 -0.204 20 0 DBADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969815469 663872487 /nfs/dbraw/zinc/87/24/87/663872487.db2.gz ULOPIEJIDJXONO-ZIAGYGMSSA-N 1 3 308.426 -0.251 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC000969845254 663874893 /nfs/dbraw/zinc/87/48/93/663874893.db2.gz XKPDQSJHGQDBDA-MGPQQGTHSA-N 1 3 310.442 -0.006 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000969948937 663885282 /nfs/dbraw/zinc/88/52/82/663885282.db2.gz OHYASWUMRWJGFQ-ZIAGYGMSSA-N 1 3 306.414 -0.047 20 0 DBADHO CC1(C)CCN(CC(=O)N2CC[C@@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC000969965758 663886495 /nfs/dbraw/zinc/88/64/95/663886495.db2.gz WVDISDMFTAOHOQ-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001020980287 663930501 /nfs/dbraw/zinc/93/05/01/663930501.db2.gz CUVJTSRLWHBJQP-HAQNSBGRSA-N 1 3 320.397 -0.477 20 0 DBADHO C[NH+]1CCC(CC(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC000970177689 663936658 /nfs/dbraw/zinc/93/66/58/663936658.db2.gz BZJAMMVMCWEAKV-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+]1CCC(OCC(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC000970357610 663973696 /nfs/dbraw/zinc/97/36/96/663973696.db2.gz RCBXFEYVSIEOQO-OCCSQVGLSA-N 1 3 324.425 -0.824 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC000970355823 663974931 /nfs/dbraw/zinc/97/49/31/663974931.db2.gz PSOAALGPHKKEOT-VXGBXAGGSA-N 1 3 312.414 -0.839 20 0 DBADHO O=C(N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC000970489379 663998411 /nfs/dbraw/zinc/99/84/11/663998411.db2.gz BGSDVUVRPWLSLV-VXGBXAGGSA-N 1 3 320.393 -0.922 20 0 DBADHO O=C(N1CC[C@@H](N[C@@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC000970490370 663998788 /nfs/dbraw/zinc/99/87/88/663998788.db2.gz QHBPXFYTKGBJRC-CHWSQXEVSA-N 1 3 306.410 -0.449 20 0 DBADHO CCN1CC[C@H](N[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC000970494537 663999721 /nfs/dbraw/zinc/99/97/21/663999721.db2.gz UFOLAWQPWFKGHX-KGLIPLIRSA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@@H](O)CN1CC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970558281 664006891 /nfs/dbraw/zinc/00/68/91/664006891.db2.gz BBRFNKDHLIFTQT-CHWSQXEVSA-N 1 3 323.441 -0.124 20 0 DBADHO CN1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC000970717937 664040621 /nfs/dbraw/zinc/04/06/21/664040621.db2.gz PGXVWHKACDTCQP-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CC[N@H+](C)CC(C(=O)N2CCN(C)CCN(C)CC2)C1 ZINC000888979487 664244940 /nfs/dbraw/zinc/24/49/40/664244940.db2.gz VGPUDPXQTLYCHR-UHFFFAOYSA-N 1 3 311.474 -0.814 20 0 DBADHO CN1CC[N@@H+](C)CC(C(=O)N2CCN(C)CCN(C)CC2)C1 ZINC000888979487 664244942 /nfs/dbraw/zinc/24/49/42/664244942.db2.gz VGPUDPXQTLYCHR-UHFFFAOYSA-N 1 3 311.474 -0.814 20 0 DBADHO COC(=O)Cn1cc(CC[N@@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)nn1 ZINC000933734749 664265426 /nfs/dbraw/zinc/26/54/26/664265426.db2.gz CMVZFGBXZPCXPM-SWLSCSKDSA-N 1 3 307.398 -0.123 20 0 DBADHO COC(=O)Cn1cc(CC[N@H+]2C[C@@H]3CN(C)C[C@]3(C)C2)nn1 ZINC000933734749 664265427 /nfs/dbraw/zinc/26/54/27/664265427.db2.gz CMVZFGBXZPCXPM-SWLSCSKDSA-N 1 3 307.398 -0.123 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000892007176 664305715 /nfs/dbraw/zinc/30/57/15/664305715.db2.gz OQOWOEGFOHNSFC-CYBMUJFWSA-N 1 3 323.441 -0.136 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)C[C@H]1C(F)(F)F ZINC000892182983 664327266 /nfs/dbraw/zinc/32/72/66/664327266.db2.gz AKRSJKVQFYHIOX-KXUCPTDWSA-N 1 3 310.320 -0.247 20 0 DBADHO COCCC1(NC(=O)NC[C@@H]2CNCCO2)CC[NH2+]CC1 ZINC000892183526 664327330 /nfs/dbraw/zinc/32/73/30/664327330.db2.gz HPNSUDAHTSSDJM-LBPRGKRZSA-N 1 3 300.403 -0.567 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000926379355 664336666 /nfs/dbraw/zinc/33/66/66/664336666.db2.gz HCLWQSPUPGHGPJ-RRFJBIMHSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001022712515 664339240 /nfs/dbraw/zinc/33/92/40/664339240.db2.gz RVPYPMQPAYVETN-FQUUOJAGSA-N 1 3 308.426 -0.062 20 0 DBADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011158923 664366296 /nfs/dbraw/zinc/36/62/96/664366296.db2.gz JBWXDVKYCYIKNV-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011158923 664366299 /nfs/dbraw/zinc/36/62/99/664366299.db2.gz JBWXDVKYCYIKNV-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011160294 664367007 /nfs/dbraw/zinc/36/70/07/664367007.db2.gz RMVRHACCKNNGIB-LBPRGKRZSA-N 1 3 305.382 -0.425 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011160294 664367011 /nfs/dbraw/zinc/36/70/11/664367011.db2.gz RMVRHACCKNNGIB-LBPRGKRZSA-N 1 3 305.382 -0.425 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001022973292 664417563 /nfs/dbraw/zinc/41/75/63/664417563.db2.gz GPRFNEVFQWAOCF-UPJWGTAASA-N 1 3 306.414 -0.106 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001022973292 664417570 /nfs/dbraw/zinc/41/75/70/664417570.db2.gz GPRFNEVFQWAOCF-UPJWGTAASA-N 1 3 306.414 -0.106 20 0 DBADHO O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001023500691 664832298 /nfs/dbraw/zinc/83/22/98/664832298.db2.gz XRHYNFIOQHFWRC-BOLLXYOYSA-N 1 3 323.437 -0.330 20 0 DBADHO O=C(NC[C@@H]1CCC[N@H+](CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001023500691 664832299 /nfs/dbraw/zinc/83/22/99/664832299.db2.gz XRHYNFIOQHFWRC-BOLLXYOYSA-N 1 3 323.437 -0.330 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911053493 674669507 /nfs/dbraw/zinc/66/95/07/674669507.db2.gz ABPYTGMKGSLZHS-HZSPNIEDSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CCNC(=O)C(=O)N(C)C1(C[NH3+])CCOCC1)C1CC1 ZINC000911052333 674669574 /nfs/dbraw/zinc/66/95/74/674669574.db2.gz CNIHLDZHGCQATN-UHFFFAOYSA-N 1 3 312.414 -0.837 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@]12CCC[C@H]1[NH2+]CC2)C1CC1 ZINC000911052857 674669600 /nfs/dbraw/zinc/66/96/00/674669600.db2.gz JANJQRMNVQPYQC-CZUORRHYSA-N 1 3 308.426 -0.155 20 0 DBADHO CCO[C@H](CNC(=O)NC[C@H]1C[C@H](O)CN1C)C[NH+](C)C ZINC000926849451 665067482 /nfs/dbraw/zinc/06/74/82/665067482.db2.gz LWNRATQDJXIMHB-FRRDWIJNSA-N 1 3 302.419 -0.683 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000911149120 674684013 /nfs/dbraw/zinc/68/40/13/674684013.db2.gz UFUFZKFZIRCXQY-SYQHCUMBSA-N 1 3 324.425 -0.981 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000911160283 674684514 /nfs/dbraw/zinc/68/45/14/674684514.db2.gz AFFINLSSJUIOEP-MJBXVCDLSA-N 1 3 310.442 -0.194 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911161263 674684724 /nfs/dbraw/zinc/68/47/24/674684724.db2.gz JYVZTNWZXVNFGZ-IGQOVBAYSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H](NC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C)C1=CCN(C)CC1 ZINC000911219536 674692320 /nfs/dbraw/zinc/69/23/20/674692320.db2.gz OPDXSGNWMISXSL-YPMHNXCESA-N 1 3 308.426 -0.133 20 0 DBADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(N)=O)[C@H]2C1)C1CCC1 ZINC001026285413 665154164 /nfs/dbraw/zinc/15/41/64/665154164.db2.gz ZMNZTWZNXVKVRD-UBHSHLNASA-N 1 3 308.426 -0.217 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911222367 674692586 /nfs/dbraw/zinc/69/25/86/674692586.db2.gz DHFBQVUSHBJDOK-YIYPIFLZSA-N 1 3 306.410 -0.404 20 0 DBADHO CCN1CCC([N@@H+]2CCCN(CCS(N)(=O)=O)CC2)CC1 ZINC000930751011 665185681 /nfs/dbraw/zinc/18/56/81/665185681.db2.gz JVIOGODYUURDMD-UHFFFAOYSA-N 1 3 318.487 -0.233 20 0 DBADHO CCN1CCC([N@H+]2CCCN(CCS(N)(=O)=O)CC2)CC1 ZINC000930751011 665185683 /nfs/dbraw/zinc/18/56/83/665185683.db2.gz JVIOGODYUURDMD-UHFFFAOYSA-N 1 3 318.487 -0.233 20 0 DBADHO C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1=CCN(C)CC1 ZINC000911218094 674691313 /nfs/dbraw/zinc/69/13/13/674691313.db2.gz HSENGKBPNPTGLZ-YXCITZCRSA-N 1 3 306.410 -0.238 20 0 DBADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](CC[NH3+])C1)C1=CCN(C)CC1 ZINC000911220314 674692712 /nfs/dbraw/zinc/69/27/12/674692712.db2.gz UWBXHLIOHWOKIM-OLZOCXBDSA-N 1 3 308.426 -0.050 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911224516 674695293 /nfs/dbraw/zinc/69/52/93/674695293.db2.gz ZKXGQOTUVNYEHC-XBFCOCLRSA-N 1 3 308.426 -0.441 20 0 DBADHO CC1(C)CCN(CCNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000911268671 674696520 /nfs/dbraw/zinc/69/65/20/674696520.db2.gz ZJCHRKBYUHWHFK-UHFFFAOYSA-N 1 3 310.442 -0.050 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027216963 665307380 /nfs/dbraw/zinc/30/73/80/665307380.db2.gz CGHPUERGMUIMHQ-ZIAGYGMSSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+][C@@H]2CCCNC2=O)C1 ZINC001027216962 665307781 /nfs/dbraw/zinc/30/77/81/665307781.db2.gz CGHPUERGMUIMHQ-UONOGXRCSA-N 1 3 308.426 -0.201 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000911336741 674707381 /nfs/dbraw/zinc/70/73/81/674707381.db2.gz MMJVMQMLPWUNHC-MGPQQGTHSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911379278 674713448 /nfs/dbraw/zinc/71/34/48/674713448.db2.gz CLSALFAPRSRYHC-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000911388572 674713722 /nfs/dbraw/zinc/71/37/22/674713722.db2.gz KMAPSGLEWWTAHH-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])C1 ZINC000911338107 674710662 /nfs/dbraw/zinc/71/06/62/674710662.db2.gz XWUVKTWADQATMN-HEHGZKQESA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000911379180 674712439 /nfs/dbraw/zinc/71/24/39/674712439.db2.gz ZKVYNICECYFALB-HZSPNIEDSA-N 1 3 308.426 -0.345 20 0 DBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000911493035 674731621 /nfs/dbraw/zinc/73/16/21/674731621.db2.gz JYHQCIJBHHUHKY-BFHYXJOUSA-N 1 3 308.426 -0.073 20 0 DBADHO CC1(C)CCN(CCNC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)C1 ZINC000911529287 674733231 /nfs/dbraw/zinc/73/32/31/674733231.db2.gz CHGPEHHQHPXCNS-YNEHKIRRSA-N 1 3 308.426 -0.156 20 0 DBADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000911557624 674738331 /nfs/dbraw/zinc/73/83/31/674738331.db2.gz QAODERPAGGJKBM-IHRRRGAJSA-N 1 3 308.426 -0.073 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000950076523 674827007 /nfs/dbraw/zinc/82/70/07/674827007.db2.gz FMZSAPWPCDEGKV-YPMHNXCESA-N 1 3 305.382 -0.379 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000950076523 674827011 /nfs/dbraw/zinc/82/70/11/674827011.db2.gz FMZSAPWPCDEGKV-YPMHNXCESA-N 1 3 305.382 -0.379 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000991728624 674883139 /nfs/dbraw/zinc/88/31/39/674883139.db2.gz NFYBGRNMLLMRQU-CHWSQXEVSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991728624 674883141 /nfs/dbraw/zinc/88/31/41/674883141.db2.gz NFYBGRNMLLMRQU-CHWSQXEVSA-N 1 3 308.426 -0.393 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000991733217 674884083 /nfs/dbraw/zinc/88/40/83/674884083.db2.gz YBYIGMXKZXSNRN-CYBMUJFWSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000991733217 674884084 /nfs/dbraw/zinc/88/40/84/674884084.db2.gz YBYIGMXKZXSNRN-CYBMUJFWSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000991733222 674884102 /nfs/dbraw/zinc/88/41/02/674884102.db2.gz YBYIGMXKZXSNRN-ZDUSSCGKSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC2CN(C(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000991733222 674884104 /nfs/dbraw/zinc/88/41/04/674884104.db2.gz YBYIGMXKZXSNRN-ZDUSSCGKSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000991893472 674915916 /nfs/dbraw/zinc/91/59/16/674915916.db2.gz KWQDEXRBTJXQEM-CQSZACIVSA-N 1 3 317.393 -0.379 20 0 DBADHO O=C(NC[C@H]1CC[N@@H+](CCCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028698190 670967225 /nfs/dbraw/zinc/96/72/25/670967225.db2.gz CBOZVUFPFWMWQE-HCEZTOJASA-N 1 3 323.437 -0.330 20 0 DBADHO O=C(NC[C@H]1CC[N@H+](CCCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028698190 670967233 /nfs/dbraw/zinc/96/72/33/670967233.db2.gz CBOZVUFPFWMWQE-HCEZTOJASA-N 1 3 323.437 -0.330 20 0 DBADHO CN1CC[C@H](N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028780695 671044317 /nfs/dbraw/zinc/04/43/17/671044317.db2.gz MIOBZMWANDZWHD-HIFRSBDPSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@H](C(N)=O)N1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028930234 671108762 /nfs/dbraw/zinc/10/87/62/671108762.db2.gz BSPUCJOHQHYOBI-QWHCGFSZSA-N 1 3 308.426 -0.216 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCNC1=O ZINC000895666781 671363697 /nfs/dbraw/zinc/36/36/97/671363697.db2.gz RPPAYASASGGYCM-SWLSCSKDSA-N 1 3 313.446 -0.164 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@]1(C)CCNC1=O ZINC000895666781 671363702 /nfs/dbraw/zinc/36/37/02/671363702.db2.gz RPPAYASASGGYCM-SWLSCSKDSA-N 1 3 313.446 -0.164 20 0 DBADHO O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000896684164 671423461 /nfs/dbraw/zinc/42/34/61/671423461.db2.gz PPBYWMCYELXQCC-HOCLYGCPSA-N 1 3 323.437 -0.112 20 0 DBADHO C[NH+](C)CCOCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000788018279 671450710 /nfs/dbraw/zinc/45/07/10/671450710.db2.gz RLJRRCGUCQYVOA-UONOGXRCSA-N 1 3 314.430 -0.273 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000728595030 671460374 /nfs/dbraw/zinc/46/03/74/671460374.db2.gz MEXRQAUUMUQFTQ-MRXNPFEDSA-N 1 3 324.469 -0.317 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985327966 671462044 /nfs/dbraw/zinc/46/20/44/671462044.db2.gz OSJSWCDUIKNWBZ-KBPBESRZSA-N 1 3 308.426 -0.108 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC000985327966 671462045 /nfs/dbraw/zinc/46/20/45/671462045.db2.gz OSJSWCDUIKNWBZ-KBPBESRZSA-N 1 3 308.426 -0.108 20 0 DBADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985754510 671524788 /nfs/dbraw/zinc/52/47/88/671524788.db2.gz DLKSLULVYWZAIG-AWEZNQCLSA-N 1 3 320.437 -0.107 20 0 DBADHO C[N@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCNC1=O ZINC001029905791 671562563 /nfs/dbraw/zinc/56/25/63/671562563.db2.gz VCOQVXJSQCWCBV-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@@H+](C[C@@H]1CCN(C(=O)CN2CCCC2)C1)[C@@H]1CCNC1=O ZINC001029905791 671562568 /nfs/dbraw/zinc/56/25/68/671562568.db2.gz VCOQVXJSQCWCBV-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000987166703 671653416 /nfs/dbraw/zinc/65/34/16/671653416.db2.gz IFWHNFCMTVOIKS-YPMHNXCESA-N 1 3 322.413 -0.877 20 0 DBADHO C[C@@H]1[C@@H](NCC(N)=O)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000987281672 671671207 /nfs/dbraw/zinc/67/12/07/671671207.db2.gz SATLJLKASZXICG-YPMHNXCESA-N 1 3 312.414 -0.839 20 0 DBADHO C[C@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000988854922 671870525 /nfs/dbraw/zinc/87/05/25/671870525.db2.gz LKUHBTPBDDWOGZ-NWDGAFQWSA-N 1 3 322.413 -0.877 20 0 DBADHO C[C@@H]1C[C@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN1CCCC1 ZINC000989798509 672603338 /nfs/dbraw/zinc/60/33/38/672603338.db2.gz AXSAZDMUFLAOQG-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000990278304 672714550 /nfs/dbraw/zinc/71/45/50/672714550.db2.gz POTVVVZONHSXEL-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO COC[C@@H](C)N1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856938 677638117 /nfs/dbraw/zinc/63/81/17/677638117.db2.gz MFNGZNJZSIDWKU-RXAYYZCOSA-N 1 3 323.437 -0.068 20 0 DBADHO COC[C@@H](C)N1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856938 677638120 /nfs/dbraw/zinc/63/81/20/677638120.db2.gz MFNGZNJZSIDWKU-RXAYYZCOSA-N 1 3 323.437 -0.068 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000940525662 677671808 /nfs/dbraw/zinc/67/18/08/677671808.db2.gz JWBBRRKNYGVXND-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000940525662 677671809 /nfs/dbraw/zinc/67/18/09/677671809.db2.gz JWBBRRKNYGVXND-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000996437078 678248254 /nfs/dbraw/zinc/24/82/54/678248254.db2.gz SSBMBRSPOBLREM-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000996437078 678248258 /nfs/dbraw/zinc/24/82/58/678248258.db2.gz SSBMBRSPOBLREM-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996472778 678250518 /nfs/dbraw/zinc/25/05/18/678250518.db2.gz NDIRKZFZJMHVSG-ZDUSSCGKSA-N 1 3 320.437 -0.107 20 0 DBADHO CC[C@H](C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000996711871 678284500 /nfs/dbraw/zinc/28/45/00/678284500.db2.gz MLIRXSJNKSVANW-CHWSQXEVSA-N 1 3 324.425 -0.288 20 0 DBADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517591 678675300 /nfs/dbraw/zinc/67/53/00/678675300.db2.gz JFCKKXNKRSNIPH-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517591 678675303 /nfs/dbraw/zinc/67/53/03/678675303.db2.gz JFCKKXNKRSNIPH-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)n1 ZINC000999179940 678684057 /nfs/dbraw/zinc/68/40/57/678684057.db2.gz DNFMSGHGEAGTKL-GFCCVEGCSA-N 1 3 322.413 -0.876 20 0 DBADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999850756 678750068 /nfs/dbraw/zinc/75/00/68/678750068.db2.gz GQFHJGDYQCRDCI-STQMWFEESA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999850756 678750072 /nfs/dbraw/zinc/75/00/72/678750072.db2.gz GQFHJGDYQCRDCI-STQMWFEESA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000999833624 678751774 /nfs/dbraw/zinc/75/17/74/678751774.db2.gz ODYXRGAJSSHEMZ-UHFFFAOYSA-N 1 3 306.414 -0.010 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000999867436 678759960 /nfs/dbraw/zinc/75/99/60/678759960.db2.gz BJBPHSPUNUBYOV-QWHCGFSZSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000999867436 678759966 /nfs/dbraw/zinc/75/99/66/678759966.db2.gz BJBPHSPUNUBYOV-QWHCGFSZSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000999866793 678760138 /nfs/dbraw/zinc/76/01/38/678760138.db2.gz ZZKQEMOTVVXROP-TZMCWYRMSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000999866793 678760139 /nfs/dbraw/zinc/76/01/39/678760139.db2.gz ZZKQEMOTVVXROP-TZMCWYRMSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000999871916 678762820 /nfs/dbraw/zinc/76/28/20/678762820.db2.gz OTOAYKQYTNPTDY-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000999871916 678762824 /nfs/dbraw/zinc/76/28/24/678762824.db2.gz OTOAYKQYTNPTDY-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000999873101 678762861 /nfs/dbraw/zinc/76/28/61/678762861.db2.gz WAAWBKGIPXUEKT-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)N2CC(NC(=O)CN3CC[C@H](C)C3)C2)C1 ZINC000999873101 678762863 /nfs/dbraw/zinc/76/28/63/678762863.db2.gz WAAWBKGIPXUEKT-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN3CC[C@H](C)C3)C2)CC[N@@H+]1C ZINC000999878539 678764834 /nfs/dbraw/zinc/76/48/34/678764834.db2.gz RWCKZMBSYJEYDU-GZBFAFLISA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC(NC(=O)CN3CC[C@H](C)C3)C2)CC[N@H+]1C ZINC000999878539 678764838 /nfs/dbraw/zinc/76/48/38/678764838.db2.gz RWCKZMBSYJEYDU-GZBFAFLISA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999883068 678766070 /nfs/dbraw/zinc/76/60/70/678766070.db2.gz JAOAKTQKMDJLES-OCCSQVGLSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999883068 678766074 /nfs/dbraw/zinc/76/60/74/678766074.db2.gz JAOAKTQKMDJLES-OCCSQVGLSA-N 1 3 322.453 -0.005 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000084382 678793375 /nfs/dbraw/zinc/79/33/75/678793375.db2.gz ZSPRIDOPEQXATP-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1=O ZINC000925348935 678962799 /nfs/dbraw/zinc/96/27/99/678962799.db2.gz NVUXGARBMRAZAC-BFHYXJOUSA-N 1 3 324.425 -0.154 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1=O ZINC000925348936 678962896 /nfs/dbraw/zinc/96/28/96/678962896.db2.gz NVUXGARBMRAZAC-IHRRRGAJSA-N 1 3 324.425 -0.154 20 0 DBADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001001978546 678963945 /nfs/dbraw/zinc/96/39/45/678963945.db2.gz QXSCCDUCMDOLFH-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001001978546 678963947 /nfs/dbraw/zinc/96/39/47/678963947.db2.gz QXSCCDUCMDOLFH-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO O=C(NC1CC[NH+](CCCO)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001002876376 679007532 /nfs/dbraw/zinc/00/75/32/679007532.db2.gz YGFLOBLBKGOFLO-HUUCEWRRSA-N 1 3 311.426 -0.187 20 0 DBADHO C[NH+]1CCC(C(=O)NCC2CN(C(=O)CN3CCCC3)C2)CC1 ZINC001002919820 679010559 /nfs/dbraw/zinc/01/05/59/679010559.db2.gz VLPOKGYKPDXJPL-UHFFFAOYSA-N 1 3 322.453 -0.001 20 0 DBADHO CC[C@@H](C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001003331434 679033569 /nfs/dbraw/zinc/03/35/69/679033569.db2.gz PFJKAQIPPPGXMC-AWEZNQCLSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003333124 679033865 /nfs/dbraw/zinc/03/38/65/679033865.db2.gz ORNXBVRBWNYJRC-XOSUWLCWSA-N 1 3 323.437 -0.189 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001004149975 679110534 /nfs/dbraw/zinc/11/05/34/679110534.db2.gz PJYHOGJMURMPSC-CYBMUJFWSA-N 1 3 306.414 -0.190 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC2CCN(CCn3cncn3)CC2)C1 ZINC001004149975 679110537 /nfs/dbraw/zinc/11/05/37/679110537.db2.gz PJYHOGJMURMPSC-CYBMUJFWSA-N 1 3 306.414 -0.190 20 0 DBADHO CN1CCN(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@@H](C[NH3+])C1 ZINC000841790794 805577418 /nfs/dbraw/zinc/57/74/18/805577418.db2.gz KCUWVDMOEILCTB-MELADBBJSA-N 1 3 311.430 -0.866 20 0 DBADHO CN1CCN(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@H](C[NH3+])C1 ZINC000841790795 805577803 /nfs/dbraw/zinc/57/78/03/805577803.db2.gz KCUWVDMOEILCTB-MGPQQGTHSA-N 1 3 311.430 -0.866 20 0 DBADHO C[C@@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1)N1CCCCC1 ZINC000842014837 805579714 /nfs/dbraw/zinc/57/97/14/805579714.db2.gz FLCNCZKRFGAAGY-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCCCC1 ZINC000842015865 805579812 /nfs/dbraw/zinc/57/98/12/805579812.db2.gz PFEPDQPQMLTDQV-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1)N1CCCCC1 ZINC000842014825 805580143 /nfs/dbraw/zinc/58/01/43/805580143.db2.gz FLCNCZKRFGAAGY-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000842165118 805584513 /nfs/dbraw/zinc/58/45/13/805584513.db2.gz SNJBCVNZLVRPSC-IHRRRGAJSA-N 1 3 324.425 -0.776 20 0 DBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000842165345 805584886 /nfs/dbraw/zinc/58/48/86/805584886.db2.gz VARYDNVMBJDUGB-BFHYXJOUSA-N 1 3 324.425 -0.694 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842202608 805587243 /nfs/dbraw/zinc/58/72/43/805587243.db2.gz OUZWJNHHMQFCKK-WMLDXEAASA-N 1 3 320.437 -0.059 20 0 DBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000843260138 805614088 /nfs/dbraw/zinc/61/40/88/805614088.db2.gz UXEROKFFGDOFOK-WUHRBBMRSA-N 1 3 312.414 -0.792 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844192370 805653374 /nfs/dbraw/zinc/65/33/74/805653374.db2.gz OJYIBRRZJKGOBP-LSDHHAIUSA-N 1 3 312.458 -0.103 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCCC1 ZINC000851685036 805925771 /nfs/dbraw/zinc/92/57/71/805925771.db2.gz OUCCIOBSTAZOPW-CHWSQXEVSA-N 1 3 324.425 -0.647 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2)N1CCCCC1 ZINC000851686541 805926921 /nfs/dbraw/zinc/92/69/21/805926921.db2.gz CUAMFNQKWXNJHA-FUJMWEONSA-N 1 3 308.426 -0.073 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000851690507 805928517 /nfs/dbraw/zinc/92/85/17/805928517.db2.gz DQZHILONVGTCEZ-CJNGLKHVSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000852907070 805990088 /nfs/dbraw/zinc/99/00/88/805990088.db2.gz CCZHMQFMXSHRQM-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001317067240 806080851 /nfs/dbraw/zinc/08/08/51/806080851.db2.gz SXJZLGORSVTROJ-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)NCC[C@H](C)[NH3+])CC1 ZINC000857112354 806110049 /nfs/dbraw/zinc/11/00/49/806110049.db2.gz ANRKOTXFTQFJLL-ZDUSSCGKSA-N 1 3 313.446 -0.081 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001317341137 806136329 /nfs/dbraw/zinc/13/63/29/806136329.db2.gz QMJCYAJSZLWASP-LBPRGKRZSA-N 1 3 303.370 -0.318 20 0 DBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]CCN1C(=O)CCC1=O ZINC001317664068 806221682 /nfs/dbraw/zinc/22/16/82/806221682.db2.gz IVVALVYOYYJWDR-UHFFFAOYSA-N 1 3 312.414 -0.476 20 0 DBADHO [NH3+]CCCOCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861573559 806275088 /nfs/dbraw/zinc/27/50/88/806275088.db2.gz JBLDPCJCTGUIEO-OLZOCXBDSA-N 1 3 300.403 -0.486 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861756332 806289723 /nfs/dbraw/zinc/28/97/23/806289723.db2.gz XTHMFOVFKAQTBU-XDQVBPFNSA-N 1 3 324.425 -0.778 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861756333 806289826 /nfs/dbraw/zinc/28/98/26/806289826.db2.gz XTHMFOVFKAQTBU-YIYPIFLZSA-N 1 3 324.425 -0.778 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861756331 806289942 /nfs/dbraw/zinc/28/99/42/806289942.db2.gz XTHMFOVFKAQTBU-RFQIPJPRSA-N 1 3 324.425 -0.778 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861756334 806291127 /nfs/dbraw/zinc/29/11/27/806291127.db2.gz XTHMFOVFKAQTBU-ZOBORPQBSA-N 1 3 324.425 -0.778 20 0 DBADHO COCCOCCN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863547947 806362882 /nfs/dbraw/zinc/36/28/82/806362882.db2.gz MSJBQAAVJKOJOW-KGLIPLIRSA-N 1 3 313.398 -0.094 20 0 DBADHO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000863559445 806365783 /nfs/dbraw/zinc/36/57/83/806365783.db2.gz NSMBNVCLTFTNOR-STQMWFEESA-N 1 3 317.430 -0.082 20 0 DBADHO Cn1nnnc1CCN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000866661867 806447299 /nfs/dbraw/zinc/44/72/99/806447299.db2.gz VEBUAVBCIXOUET-STQMWFEESA-N 1 3 321.429 -0.667 20 0 DBADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C1 ZINC000868404684 806552133 /nfs/dbraw/zinc/55/21/33/806552133.db2.gz FHFQLRAPYGHGHV-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)C[C@@H]1CN(C(=O)c2cc(=O)[n-]cn2)C[C@H]1C[NH+](C)C ZINC000870016792 806589331 /nfs/dbraw/zinc/58/93/31/806589331.db2.gz ZVAYLBJGRIPYSB-VXGBXAGGSA-N 1 3 307.398 -0.006 20 0 DBADHO NC(C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(F)(F)F ZINC000870998421 806615746 /nfs/dbraw/zinc/61/57/46/806615746.db2.gz XGXBDYHQDKTTPG-HXFLIBJXSA-N 1 3 322.287 -0.731 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999686 806616135 /nfs/dbraw/zinc/61/61/35/806616135.db2.gz AUVZXQGTLPIGGR-XQQFMLRXSA-N 1 3 310.398 -0.280 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872185760 806647549 /nfs/dbraw/zinc/64/75/49/806647549.db2.gz DDKAJGDCGPYSDK-VHSXEESVSA-N 1 3 324.347 -0.398 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872192116 806648731 /nfs/dbraw/zinc/64/87/31/806648731.db2.gz DWAFGQLSXBGNOW-JJRVBVJISA-N 1 3 322.453 -0.005 20 0 DBADHO CN1CCN(C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CCC1(C)C ZINC000872196237 806649609 /nfs/dbraw/zinc/64/96/09/806649609.db2.gz PSKIHVQLVJTVKO-SUMWQHHRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872196460 806649899 /nfs/dbraw/zinc/64/98/99/806649899.db2.gz QPKIDRHQQBLPIC-HEHGZKQESA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001321989503 806698657 /nfs/dbraw/zinc/69/86/57/806698657.db2.gz BIPPLTYINYEFQI-OLZOCXBDSA-N 1 3 311.430 -0.552 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001322693343 806769580 /nfs/dbraw/zinc/76/95/80/806769580.db2.gz GOBJSKQVCNAOIA-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876775107 806805107 /nfs/dbraw/zinc/80/51/07/806805107.db2.gz OKHXJAMHAHFNGF-KGLIPLIRSA-N 1 3 300.447 -0.165 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876781937 806805471 /nfs/dbraw/zinc/80/54/71/806805471.db2.gz SFDYEICBZWXKTL-SRVKXCTJSA-N 1 3 304.385 -0.031 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1=O ZINC000877281503 806830645 /nfs/dbraw/zinc/83/06/45/806830645.db2.gz HNZKLJSOXJLFSO-HZSPNIEDSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1=O ZINC000877392541 806836677 /nfs/dbraw/zinc/83/66/77/806836677.db2.gz SGHVPGCVZFIVLE-DVOMOZLQSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CCC(=O)N1CCC[C@H]1CNCCS(C)(=O)=O ZINC001324220105 806953215 /nfs/dbraw/zinc/95/32/15/806953215.db2.gz HFBCYDAZWGDGGU-LBPRGKRZSA-N 1 3 305.444 -0.437 20 0 DBADHO CCNC(=O)C[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278027439 803742944 /nfs/dbraw/zinc/74/29/44/803742944.db2.gz RTUDAEHIEPETPX-OKILXGFUSA-N 1 3 310.442 -0.146 20 0 DBADHO CCNC(=O)C[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278027439 803742948 /nfs/dbraw/zinc/74/29/48/803742948.db2.gz RTUDAEHIEPETPX-OKILXGFUSA-N 1 3 310.442 -0.146 20 0 DBADHO CC1CC[NH+](CCCNS(=O)(=O)N2CCNCC2)CC1 ZINC000040861855 803762540 /nfs/dbraw/zinc/76/25/40/803762540.db2.gz QDDXIZYWAVEZDE-UHFFFAOYSA-N 1 3 304.460 -0.152 20 0 DBADHO CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001280197448 803940365 /nfs/dbraw/zinc/94/03/65/803940365.db2.gz IAXVSOATOCGMPQ-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001280197449 803940644 /nfs/dbraw/zinc/94/06/44/803940644.db2.gz IAXVSOATOCGMPQ-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001280660092 804001341 /nfs/dbraw/zinc/00/13/41/804001341.db2.gz QNDMRRRBAYOOBL-CQSZACIVSA-N 1 3 324.429 -0.563 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000764065097 804279665 /nfs/dbraw/zinc/27/96/65/804279665.db2.gz YGBAZNWJYMPZQI-RRFJBIMHSA-N 1 3 308.426 -0.644 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000764065097 804279668 /nfs/dbraw/zinc/27/96/68/804279668.db2.gz YGBAZNWJYMPZQI-RRFJBIMHSA-N 1 3 308.426 -0.644 20 0 DBADHO CCN1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCOCC2)[C@@H](C)C1 ZINC000772947803 804395135 /nfs/dbraw/zinc/39/51/35/804395135.db2.gz VGQBGJRONTVZRG-UONOGXRCSA-N 1 3 319.471 -0.032 20 0 DBADHO O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC2(CN(CCO)C2)CC1 ZINC001035709434 815017087 /nfs/dbraw/zinc/01/70/87/815017087.db2.gz FPTVVTJZLRRIPH-HUUCEWRRSA-N 1 3 323.437 -0.234 20 0 DBADHO O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC2(CN(CCO)C2)CC1 ZINC001035709434 815017093 /nfs/dbraw/zinc/01/70/93/815017093.db2.gz FPTVVTJZLRRIPH-HUUCEWRRSA-N 1 3 323.437 -0.234 20 0 DBADHO Cn1cncc1CCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883439024 807014814 /nfs/dbraw/zinc/01/48/14/807014814.db2.gz HJYZOJHOZJUKJO-MCIONIFRSA-N 1 3 305.382 -0.171 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCO ZINC001284415060 804699880 /nfs/dbraw/zinc/69/98/80/804699880.db2.gz ANMSPBPFFFHRMS-KGLIPLIRSA-N 1 3 301.431 -0.350 20 0 DBADHO CN(CCOCCNCc1cncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001284878360 804782168 /nfs/dbraw/zinc/78/21/68/804782168.db2.gz QAACRZFOUUJPBH-CQSZACIVSA-N 1 3 323.441 -0.064 20 0 DBADHO CN(CCOCCNCc1cncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001284878360 804782172 /nfs/dbraw/zinc/78/21/72/804782172.db2.gz QAACRZFOUUJPBH-CQSZACIVSA-N 1 3 323.441 -0.064 20 0 DBADHO CC1(C)C[NH2+]C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884210812 807041012 /nfs/dbraw/zinc/04/10/12/807041012.db2.gz KHBDONILTKOBKY-AWEZNQCLSA-N 1 3 322.453 -0.001 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817949379 805104104 /nfs/dbraw/zinc/10/41/04/805104104.db2.gz KDFIGZJASIEXIA-MRXNPFEDSA-N 1 3 308.426 -0.105 20 0 DBADHO O=C(NC[C@H]1CCCN(CCn2cnnn2)C1)[C@@H]1CCC[NH2+]1 ZINC000883424638 807014020 /nfs/dbraw/zinc/01/40/20/807014020.db2.gz YUBWNTVFTQEHIL-OLZOCXBDSA-N 1 3 307.402 -0.747 20 0 DBADHO CO[C@@H](CN)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000884401019 807048077 /nfs/dbraw/zinc/04/80/77/807048077.db2.gz BPXOXMYFIFFVMW-CABCVRRESA-N 1 3 307.394 -0.157 20 0 DBADHO CO[C@@H](CN)C(=O)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000884401019 807048086 /nfs/dbraw/zinc/04/80/86/807048086.db2.gz BPXOXMYFIFFVMW-CABCVRRESA-N 1 3 307.394 -0.157 20 0 DBADHO CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1CC[NH2+]C1 ZINC000884559902 807056886 /nfs/dbraw/zinc/05/68/86/807056886.db2.gz IKBKDZLLLCJFSM-MGPQQGTHSA-N 1 3 324.425 -0.824 20 0 DBADHO CC(C)([NH3+])CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000884560430 807057050 /nfs/dbraw/zinc/05/70/50/807057050.db2.gz XJUONEDOXDLNKA-NEPJUHHUSA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)NCCN2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000884576238 807057500 /nfs/dbraw/zinc/05/75/00/807057500.db2.gz CJNLJLUVZGEZLQ-ZIAGYGMSSA-N 1 3 310.442 -0.112 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884576305 807057951 /nfs/dbraw/zinc/05/79/51/807057951.db2.gz DTJLIZTVKJYRPW-JKIFEVAISA-N 1 3 322.453 -0.098 20 0 DBADHO CCN(C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)[C@H]1CC[NH2+]C1 ZINC000884623689 807060443 /nfs/dbraw/zinc/06/04/43/807060443.db2.gz LSPRGSPPOXVCOA-OCCSQVGLSA-N 1 3 308.426 -0.037 20 0 DBADHO C[C@H](NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1)C1=CCN(C)CC1 ZINC000884623714 807061047 /nfs/dbraw/zinc/06/10/47/807061047.db2.gz MLCDSIFUKOCXIY-MBNYWOFBSA-N 1 3 308.426 -0.194 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000884631597 807061742 /nfs/dbraw/zinc/06/17/42/807061742.db2.gz PKNIIWIMACFSLC-RBSFLKMASA-N 1 3 320.437 -0.060 20 0 DBADHO COCCN1CCC([NH2+]C[C@@H](O)CN2CCN(C)CC2)CC1 ZINC001326146883 807153378 /nfs/dbraw/zinc/15/33/78/807153378.db2.gz MRGURKUZRJOADU-MRXNPFEDSA-N 1 3 314.474 -0.705 20 0 DBADHO CNC(=O)CN1CC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036809328 815105581 /nfs/dbraw/zinc/10/55/81/815105581.db2.gz JICIFSFSOOKRME-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327498096 807293204 /nfs/dbraw/zinc/29/32/04/807293204.db2.gz JAWDLZHTOWFPJK-DGCLKSJQSA-N 1 3 312.414 -0.839 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3COC(=O)N3)CC2)CC1 ZINC000900445299 807302512 /nfs/dbraw/zinc/30/25/12/807302512.db2.gz FXQMOHXBEVEDGP-CYBMUJFWSA-N 1 3 310.398 -0.230 20 0 DBADHO C[C@H](CNC(=O)[C@]1(C)C[C@H](O)CN1C)C[NH+]1CCN(C)CC1 ZINC000900693352 807321279 /nfs/dbraw/zinc/32/12/79/807321279.db2.gz PZRSEYOKHVMGLD-YCPHGPKFSA-N 1 3 312.458 -0.559 20 0 DBADHO C[C@H](CNC(=O)[C@@]1(C)C[C@H](O)CN1C)C[NH+]1CCN(C)CC1 ZINC000900693351 807322694 /nfs/dbraw/zinc/32/26/94/807322694.db2.gz PZRSEYOKHVMGLD-IJEWVQPXSA-N 1 3 312.458 -0.559 20 0 DBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@@H](C)CS(C)(=O)=O)C2 ZINC000903493752 807391620 /nfs/dbraw/zinc/39/16/20/807391620.db2.gz WLUUYZXUORTNIQ-CZXHOFHRSA-N 1 3 318.439 -0.121 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903718989 807403767 /nfs/dbraw/zinc/40/37/67/807403767.db2.gz GIXSVWMBARYBOM-ZJUUUORDSA-N 1 3 324.347 -0.256 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903718988 807404232 /nfs/dbraw/zinc/40/42/32/807404232.db2.gz GIXSVWMBARYBOM-VHSXEESVSA-N 1 3 324.347 -0.256 20 0 DBADHO O=C1CNCCN1[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742544 807406244 /nfs/dbraw/zinc/40/62/44/807406244.db2.gz CMYFHFZDAVCXFP-VYDXJSESSA-N 1 3 322.453 -0.349 20 0 DBADHO CN(C)C(=O)[C@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903757132 807408248 /nfs/dbraw/zinc/40/82/48/807408248.db2.gz YGXIXTBPPOFMEU-ZIAGYGMSSA-N 1 3 310.442 -0.493 20 0 DBADHO O[C@@H]1C[C@H]2CN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CCN2C1 ZINC000903932851 807422574 /nfs/dbraw/zinc/42/25/74/807422574.db2.gz WPHZUYUGBPRBJZ-KCQAQPDRSA-N 1 3 306.414 -0.547 20 0 DBADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)C1 ZINC000904471720 807425981 /nfs/dbraw/zinc/42/59/81/807425981.db2.gz AWQPRGQUJFZAFB-HEHGZKQESA-N 1 3 308.426 -0.025 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905005773 807436430 /nfs/dbraw/zinc/43/64/30/807436430.db2.gz GDPYPHFXQDAASE-WBMJQRKESA-N 1 3 308.426 -0.121 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905013484 807439623 /nfs/dbraw/zinc/43/96/23/807439623.db2.gz SGEUAZKYCOBXEW-INIZCTEOSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)C2(O)CCOCC2)CCCO1 ZINC000905229950 807450253 /nfs/dbraw/zinc/45/02/53/807450253.db2.gz DJJNQCAFGWXYKS-CABCVRRESA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)C2(O)CCOCC2)CCCO1 ZINC000905229950 807450257 /nfs/dbraw/zinc/45/02/57/807450257.db2.gz DJJNQCAFGWXYKS-CABCVRRESA-N 1 3 316.442 -0.021 20 0 DBADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001328942269 807491325 /nfs/dbraw/zinc/49/13/25/807491325.db2.gz WERASBOCMWJCPB-BPCQOVAHSA-N 1 3 319.471 -0.144 20 0 DBADHO CN(C)CCn1nccc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000907781523 807550216 /nfs/dbraw/zinc/55/02/16/807550216.db2.gz RGZQRJSOGYAIFT-MRXNPFEDSA-N 1 3 323.441 -0.027 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COCO1 ZINC000923201949 807652252 /nfs/dbraw/zinc/65/22/52/807652252.db2.gz WVEVRFFQESRBQD-STQMWFEESA-N 1 3 302.419 -0.070 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COCO1 ZINC000923201949 807652259 /nfs/dbraw/zinc/65/22/59/807652259.db2.gz WVEVRFFQESRBQD-STQMWFEESA-N 1 3 302.419 -0.070 20 0 DBADHO CN1CCN(C[C@H](O)C[NH2+][C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC001330082141 807670861 /nfs/dbraw/zinc/67/08/61/807670861.db2.gz MVPMJNNFCMTPFJ-LSDHHAIUSA-N 1 3 314.474 -0.971 20 0 DBADHO CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923629791 807692502 /nfs/dbraw/zinc/69/25/02/807692502.db2.gz GSRWSXVOMBSSGT-OLZOCXBDSA-N 1 3 302.444 -0.448 20 0 DBADHO CC(C)(C)[C@@]1(C[NH3+])CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923669191 807700353 /nfs/dbraw/zinc/70/03/53/807700353.db2.gz WUCJNKQIKGZWGN-CYBMUJFWSA-N 1 3 304.460 -0.167 20 0 DBADHO O=S(=O)(NCc1ccncc1O[C@H]1CC[NH2+]C1)C1CNC1 ZINC000923671010 807700697 /nfs/dbraw/zinc/70/06/97/807700697.db2.gz UQEFTKXRABEYGC-NSHDSACASA-N 1 3 312.395 -0.787 20 0 DBADHO [NH3+]C[C@H]1Cc2ccccc2N(S(=O)(=O)N2CCNCC2)C1 ZINC000923675395 807701617 /nfs/dbraw/zinc/70/16/17/807701617.db2.gz WFAFXXMWCHTQBX-GFCCVEGCSA-N 1 3 310.423 -0.226 20 0 DBADHO O=S(=O)(C1CNC1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000923675126 807701643 /nfs/dbraw/zinc/70/16/43/807701643.db2.gz XRUYSJAPQONBCH-BETUJISGSA-N 1 3 314.455 -0.811 20 0 DBADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC000926130863 807755298 /nfs/dbraw/zinc/75/52/98/807755298.db2.gz NBEQJJMBETUGDL-CQSZACIVSA-N 1 3 310.402 -0.238 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)C[C@@H]21 ZINC001332132346 807876114 /nfs/dbraw/zinc/87/61/14/807876114.db2.gz UAYDDWMDAUMIKS-RFGFWPKPSA-N 1 3 306.410 -0.498 20 0 DBADHO C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCCN1CCOCCO ZINC001332198956 807883094 /nfs/dbraw/zinc/88/30/94/807883094.db2.gz MMPOUTXTXHBWET-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CO1 ZINC001332298093 807896749 /nfs/dbraw/zinc/89/67/49/807896749.db2.gz WVJVGJZHEFMBGS-CHWSQXEVSA-N 1 3 314.430 -0.768 20 0 DBADHO CCN1CCN(CCC[NH2+][C@@H]2C(=O)NCC23CCOCC3)CC1 ZINC001332362731 807905832 /nfs/dbraw/zinc/90/58/32/807905832.db2.gz ZSLLIHBRFRADNP-OAHLLOKOSA-N 1 3 324.469 -0.101 20 0 DBADHO CONC(=O)C1CC[NH+](C[C@H]2CCCN(C(=O)CN)C2)CC1 ZINC001332395250 807912071 /nfs/dbraw/zinc/91/20/71/807912071.db2.gz GOAXAAGPNCTYGX-GFCCVEGCSA-N 1 3 312.414 -0.427 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001333177600 808025535 /nfs/dbraw/zinc/02/55/35/808025535.db2.gz FJJVLMQJGQJFDH-WCQYABFASA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001333543608 808074087 /nfs/dbraw/zinc/07/40/87/808074087.db2.gz RYGYETUQEREIRX-WCQYABFASA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001333543606 808074208 /nfs/dbraw/zinc/07/42/08/808074208.db2.gz RYGYETUQEREIRX-AAEUAGOBSA-N 1 3 312.414 -0.791 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](CC(N)=O)C[C@H]2CC1)N(C)C ZINC000946642853 808118420 /nfs/dbraw/zinc/11/84/20/808118420.db2.gz RVWNSXDVAMRDSC-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]2C[N@H+](CC(N)=O)C[C@H]2CC1)N(C)C ZINC000946642853 808118425 /nfs/dbraw/zinc/11/84/25/808118425.db2.gz RVWNSXDVAMRDSC-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CCCF ZINC001336441114 808374175 /nfs/dbraw/zinc/37/41/75/808374175.db2.gz BMMOEOJRJXDDEJ-UHFFFAOYSA-N 1 3 304.410 -0.244 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000950076520 808587279 /nfs/dbraw/zinc/58/72/79/808587279.db2.gz FMZSAPWPCDEGKV-AAEUAGOBSA-N 1 3 305.382 -0.379 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)Cc2c[nH]cn2)C1 ZINC000950076520 808587282 /nfs/dbraw/zinc/58/72/82/808587282.db2.gz FMZSAPWPCDEGKV-AAEUAGOBSA-N 1 3 305.382 -0.379 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001340115001 808622186 /nfs/dbraw/zinc/62/21/86/808622186.db2.gz ZMNZSLMWNLCKCM-UONOGXRCSA-N 1 3 300.447 -0.653 20 0 DBADHO [NH3+]CCNCC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001340270264 808631521 /nfs/dbraw/zinc/63/15/21/808631521.db2.gz RKJZXFQAJXDMJP-INIZCTEOSA-N 1 3 320.437 -0.058 20 0 DBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954318409 809213392 /nfs/dbraw/zinc/21/33/92/809213392.db2.gz SSCFNWLUUNJAPD-GXTWGEPZSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954318409 809213400 /nfs/dbraw/zinc/21/34/00/809213400.db2.gz SSCFNWLUUNJAPD-GXTWGEPZSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000954319335 809214082 /nfs/dbraw/zinc/21/40/82/809214082.db2.gz IBSSJKYXVFPEOI-KGLIPLIRSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000954319335 809214089 /nfs/dbraw/zinc/21/40/89/809214089.db2.gz IBSSJKYXVFPEOI-KGLIPLIRSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000954319334 809214364 /nfs/dbraw/zinc/21/43/64/809214364.db2.gz IBSSJKYXVFPEOI-KBPBESRZSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC(N(C)C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000954319334 809214367 /nfs/dbraw/zinc/21/43/67/809214367.db2.gz IBSSJKYXVFPEOI-KBPBESRZSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954841226 809300713 /nfs/dbraw/zinc/30/07/13/809300713.db2.gz WFBWRVKSLAMOMN-GFCCVEGCSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954841226 809300721 /nfs/dbraw/zinc/30/07/21/809300721.db2.gz WFBWRVKSLAMOMN-GFCCVEGCSA-N 1 3 319.409 -0.037 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001039172693 815295748 /nfs/dbraw/zinc/29/57/48/815295748.db2.gz BUNFFERSTXDFPW-GJZGRUSLSA-N 1 3 322.453 -0.016 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001039172693 815295756 /nfs/dbraw/zinc/29/57/56/815295756.db2.gz BUNFFERSTXDFPW-GJZGRUSLSA-N 1 3 322.453 -0.016 20 0 DBADHO COCCN1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214457 809813937 /nfs/dbraw/zinc/81/39/37/809813937.db2.gz HXFVMELPTORHFW-ZIAGYGMSSA-N 1 3 311.426 -0.330 20 0 DBADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@H]2O)cc1 ZINC000958481190 809929298 /nfs/dbraw/zinc/92/92/98/809929298.db2.gz NQFJDPRMGAUPOQ-JKSUJKDBSA-N 1 3 321.421 -0.237 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)CC1 ZINC000958555481 809955904 /nfs/dbraw/zinc/95/59/04/809955904.db2.gz KSHOKFYSIRBIAI-GJZGRUSLSA-N 1 3 313.442 -0.492 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC000961657308 810337022 /nfs/dbraw/zinc/33/70/22/810337022.db2.gz DBDCZYPMRULERO-RFQIPJPRSA-N 1 3 306.410 -0.737 20 0 DBADHO O=C(NC1CC2(C1)CC([NH2+]CCO)C2)[C@H]1CN2CCC[C@@H]2CO1 ZINC000963839572 810666873 /nfs/dbraw/zinc/66/68/73/810666873.db2.gz TXYDJAVYGCZLNI-KDUKZITGSA-N 1 3 323.437 -0.141 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000968719266 811485374 /nfs/dbraw/zinc/48/53/74/811485374.db2.gz OZXOQXDEBBFTFR-VXGBXAGGSA-N 1 3 322.413 -0.877 20 0 DBADHO CN(C(=O)c1cnn(CC[NH+](C)C)c1)C1CCN(CCO)CC1 ZINC001006115183 812159403 /nfs/dbraw/zinc/15/94/03/812159403.db2.gz BNSOOMKLCKZMJL-UHFFFAOYSA-N 1 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ZINC001015826908 813533932 /nfs/dbraw/zinc/53/39/32/813533932.db2.gz LCYGHBDEZYHSEB-GXTWGEPZSA-N 1 3 309.414 -0.370 20 0 DBADHO CN(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1)C1CC1 ZINC001018966597 814033692 /nfs/dbraw/zinc/03/36/92/814033692.db2.gz NHYWLTZIZJRQCL-KBPBESRZSA-N 1 3 306.414 -0.191 20 0 DBADHO CN(CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1)C1CCC1 ZINC001018971490 814033892 /nfs/dbraw/zinc/03/38/92/814033892.db2.gz COLJOMHBMHHUOZ-ZDUSSCGKSA-N 1 3 306.414 -0.047 20 0 DBADHO O=C(N1CC[C@H](N[C@@H]2CCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001019030787 814053397 /nfs/dbraw/zinc/05/33/97/814053397.db2.gz TYDXYBHZBAKCKZ-UONOGXRCSA-N 1 3 320.437 -0.059 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC001019289956 814115621 /nfs/dbraw/zinc/11/56/21/814115621.db2.gz LBBYULXULZGHIZ-XDQVBPFNSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)CC[N@H+]1C ZINC001019289956 814115626 /nfs/dbraw/zinc/11/56/26/814115626.db2.gz LBBYULXULZGHIZ-XDQVBPFNSA-N 1 3 308.426 -0.204 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@H](N[C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019324800 814127156 /nfs/dbraw/zinc/12/71/56/814127156.db2.gz CBOCXJPHCVLDII-QWHCGFSZSA-N 1 3 322.409 -0.676 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001019382753 814147116 /nfs/dbraw/zinc/14/71/16/814147116.db2.gz JYYJBAGLVXBPPN-KBPBESRZSA-N 1 3 323.441 -0.456 20 0 DBADHO C[C@@H](N[C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1)C(N)=O ZINC001019576315 814191541 /nfs/dbraw/zinc/19/15/41/814191541.db2.gz PSOAALGPHKKEOT-NEPJUHHUSA-N 1 3 312.414 -0.839 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019652706 814212968 /nfs/dbraw/zinc/21/29/68/814212968.db2.gz SZYBOEFMRWEDPK-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)C1 ZINC001019652706 814212977 /nfs/dbraw/zinc/21/29/77/814212977.db2.gz SZYBOEFMRWEDPK-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(N1CC[C@H](N[C@@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001019659888 814214760 /nfs/dbraw/zinc/21/47/60/814214760.db2.gz QHBPXFYTKGBJRC-QWHCGFSZSA-N 1 3 306.410 -0.449 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)C1 ZINC001032186993 814401604 /nfs/dbraw/zinc/40/16/04/814401604.db2.gz CKBUJWKOVOCVTM-CABCVRRESA-N 1 3 321.425 -0.756 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)C1 ZINC001032186993 814401610 /nfs/dbraw/zinc/40/16/10/814401610.db2.gz CKBUJWKOVOCVTM-CABCVRRESA-N 1 3 321.425 -0.756 20 0 DBADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033278818 814464088 /nfs/dbraw/zinc/46/40/88/814464088.db2.gz ROSGRWWKEYSGPQ-KRIMKBQASA-N 1 3 323.437 -0.235 20 0 DBADHO CN(C(=O)[C@H]1CN2CC3CC2(C3)CO1)[C@H]1CC[N@@H+](CCCO)C1 ZINC001033278818 814464092 /nfs/dbraw/zinc/46/40/92/814464092.db2.gz ROSGRWWKEYSGPQ-KRIMKBQASA-N 1 3 323.437 -0.235 20 0 DBADHO O=C(N1CCC[C@@H]1CN[C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001035102513 814858475 /nfs/dbraw/zinc/85/84/75/814858475.db2.gz KOBHTASNPOSHNB-OLZOCXBDSA-N 1 3 306.410 -0.449 20 0 DBADHO CC1(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)CC[NH+](CCO)CC1 ZINC001045444844 816632819 /nfs/dbraw/zinc/63/28/19/816632819.db2.gz YPBRGYOWJFPDJB-ZIAGYGMSSA-N 1 3 311.426 -0.187 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@H+](CCCO)C2)CC1 ZINC001046010599 816718619 /nfs/dbraw/zinc/71/86/19/816718619.db2.gz PPDMJSFAAFJBDI-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN([C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001046010599 816718628 /nfs/dbraw/zinc/71/86/28/816718628.db2.gz PPDMJSFAAFJBDI-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046010265 816719213 /nfs/dbraw/zinc/71/92/13/816719213.db2.gz JZAXRAOCSVLQBA-GJZGRUSLSA-N 1 3 310.442 -0.709 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046010265 816719218 /nfs/dbraw/zinc/71/92/18/816719218.db2.gz JZAXRAOCSVLQBA-GJZGRUSLSA-N 1 3 310.442 -0.709 20 0 DBADHO C[C@@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081911 816753329 /nfs/dbraw/zinc/75/33/29/816753329.db2.gz LSKMVYOUQPHOOT-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081911 816753332 /nfs/dbraw/zinc/75/33/32/816753332.db2.gz LSKMVYOUQPHOOT-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048829601 817453887 /nfs/dbraw/zinc/45/38/87/817453887.db2.gz VEOZGULKERVYQX-XUWVNRHRSA-N 1 3 323.437 -0.378 20 0 DBADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048829601 817453890 /nfs/dbraw/zinc/45/38/90/817453890.db2.gz VEOZGULKERVYQX-XUWVNRHRSA-N 1 3 323.437 -0.378 20 0 DBADHO CC[C@@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863491 817463054 /nfs/dbraw/zinc/46/30/54/817463054.db2.gz DKXDMJFFXRPFKY-XGUBFFRZSA-N 1 3 322.453 -0.019 20 0 DBADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863491 817463062 /nfs/dbraw/zinc/46/30/62/817463062.db2.gz DKXDMJFFXRPFKY-XGUBFFRZSA-N 1 3 322.453 -0.019 20 0 DBADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863488 817463557 /nfs/dbraw/zinc/46/35/57/817463557.db2.gz DKXDMJFFXRPFKY-BARDWOONSA-N 1 3 322.453 -0.019 20 0 DBADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863488 817463562 /nfs/dbraw/zinc/46/35/62/817463562.db2.gz DKXDMJFFXRPFKY-BARDWOONSA-N 1 3 322.453 -0.019 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048863959 817464582 /nfs/dbraw/zinc/46/45/82/817464582.db2.gz QYBBQHILGMSVCQ-RZFFKMDDSA-N 1 3 322.453 -0.149 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049059502 817518533 /nfs/dbraw/zinc/51/85/33/817518533.db2.gz RSLOFDLOKXYTJW-LJISPDSOSA-N 1 3 322.453 -0.147 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049059502 817518537 /nfs/dbraw/zinc/51/85/37/817518537.db2.gz RSLOFDLOKXYTJW-LJISPDSOSA-N 1 3 322.453 -0.147 20 0 DBADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049066949 817522100 /nfs/dbraw/zinc/52/21/00/817522100.db2.gz OBDDZRIANDDHGB-RQJABVFESA-N 1 3 310.442 -0.019 20 0 DBADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H](CC)N(C)C)C[C@H]2C1 ZINC001049066949 817522106 /nfs/dbraw/zinc/52/21/06/817522106.db2.gz OBDDZRIANDDHGB-RQJABVFESA-N 1 3 310.442 -0.019 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049174052 817550128 /nfs/dbraw/zinc/55/01/28/817550128.db2.gz LWSWDBGXYMOAQE-MJBXVCDLSA-N 1 3 320.437 -0.264 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049172531 817550168 /nfs/dbraw/zinc/55/01/68/817550168.db2.gz XZDNCNHLUMIFBS-LJISPDSOSA-N 1 3 322.453 -0.147 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049172531 817550171 /nfs/dbraw/zinc/55/01/71/817550171.db2.gz XZDNCNHLUMIFBS-LJISPDSOSA-N 1 3 322.453 -0.147 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001054296504 818099658 /nfs/dbraw/zinc/09/96/58/818099658.db2.gz WPBHJRLJGMYVMG-JHJVBQTASA-N 1 3 324.425 -0.288 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1)N(C)C ZINC001070534842 820491153 /nfs/dbraw/zinc/49/11/53/820491153.db2.gz PSVBYKOMHAKZLX-CFVMTHIKSA-N 1 3 323.441 -0.363 20 0 DBADHO O=C(NC[C@H]1CN(CCCO)CCCO1)C12CC[NH+](CC1)C2 ZINC001073862221 821258327 /nfs/dbraw/zinc/25/83/27/821258327.db2.gz OAZSSSMMOCFZTF-AWEZNQCLSA-N 1 3 311.426 -0.328 20 0 DBADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074793041 821438330 /nfs/dbraw/zinc/43/83/30/821438330.db2.gz ZXYBCPSOSALNSP-WUHRBBMRSA-N 1 3 322.409 -0.535 20 0 DBADHO C[C@H]1[C@@H](N[C@H]2CCN(C)C2=O)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001075042162 821479577 /nfs/dbraw/zinc/47/95/77/821479577.db2.gz XZBXASBLMQONJT-IHRRRGAJSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001075106001 821486976 /nfs/dbraw/zinc/48/69/76/821486976.db2.gz DINYDCZQJLZZAK-MJBXVCDLSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001075106001 821486982 /nfs/dbraw/zinc/48/69/82/821486982.db2.gz DINYDCZQJLZZAK-MJBXVCDLSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161217 824008017 /nfs/dbraw/zinc/00/80/17/824008017.db2.gz ROLSFTQCJNYLDV-AYVTUFRQSA-N 1 3 309.410 -0.722 20 0 DBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161217 824008019 /nfs/dbraw/zinc/00/80/19/824008019.db2.gz ROLSFTQCJNYLDV-AYVTUFRQSA-N 1 3 309.410 -0.722 20 0 DBADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654676 824713614 /nfs/dbraw/zinc/71/36/14/824713614.db2.gz AGCVQXASNBVYCE-CLPSQLOGSA-N 1 3 323.437 -0.333 20 0 DBADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654676 824713620 /nfs/dbraw/zinc/71/36/20/824713620.db2.gz AGCVQXASNBVYCE-CLPSQLOGSA-N 1 3 323.437 -0.333 20 0 DBADHO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114405417 828688836 /nfs/dbraw/zinc/68/88/36/828688836.db2.gz RVBJCOIOXKUTAL-MQYQWHSLSA-N 1 3 311.426 -0.476 20 0 DBADHO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(N(C)C)CCC1 ZINC001114405417 828688838 /nfs/dbraw/zinc/68/88/38/828688838.db2.gz RVBJCOIOXKUTAL-MQYQWHSLSA-N 1 3 311.426 -0.476 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)cn1 ZINC001083851261 824792526 /nfs/dbraw/zinc/79/25/26/824792526.db2.gz WIAMZKHGWUQYQR-CABCVRRESA-N 1 3 321.425 -0.370 20 0 DBADHO NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001085200398 825002736 /nfs/dbraw/zinc/00/27/36/825002736.db2.gz HXJWTNRKYGNWHB-BFHYXJOUSA-N 1 3 308.426 -0.170 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001114745940 828735703 /nfs/dbraw/zinc/73/57/03/828735703.db2.gz IWTOALUJQBRZIF-XQHKEYJVSA-N 1 3 306.410 -0.737 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001114745578 828735843 /nfs/dbraw/zinc/73/58/43/828735843.db2.gz CDKYHKWWHYPAIL-HALDLXJZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC001114745938 828735911 /nfs/dbraw/zinc/73/59/11/828735911.db2.gz IWTOALUJQBRZIF-QNWHQSFQSA-N 1 3 306.410 -0.737 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114751182 828736970 /nfs/dbraw/zinc/73/69/70/828736970.db2.gz VMEDGUQXGHJXCX-ZAZJYDDPSA-N 1 3 322.409 -0.820 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086254329 825212458 /nfs/dbraw/zinc/21/24/58/825212458.db2.gz UZRIGKJHUPTTJE-BETUJISGSA-N 1 3 318.425 -0.105 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001086550227 825286148 /nfs/dbraw/zinc/28/61/48/825286148.db2.gz AHHQWGMYHRBWGD-JHJVBQTASA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001086550227 825286158 /nfs/dbraw/zinc/28/61/58/825286158.db2.gz AHHQWGMYHRBWGD-JHJVBQTASA-N 1 3 306.414 -0.249 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114996578 828773580 /nfs/dbraw/zinc/77/35/80/828773580.db2.gz AEMYZRQZBFJCCX-ZAZJYDDPSA-N 1 3 322.409 -0.820 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001114996578 828773584 /nfs/dbraw/zinc/77/35/84/828773584.db2.gz AEMYZRQZBFJCCX-ZAZJYDDPSA-N 1 3 322.409 -0.820 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1CCO ZINC001088757043 825455904 /nfs/dbraw/zinc/45/59/04/825455904.db2.gz FTRFBZDRUWYENM-DYSQMVFPSA-N 1 3 309.410 -0.579 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1CCO ZINC001088757043 825455909 /nfs/dbraw/zinc/45/59/09/825455909.db2.gz FTRFBZDRUWYENM-DYSQMVFPSA-N 1 3 309.410 -0.579 20 0 DBADHO CCN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090272562 825617389 /nfs/dbraw/zinc/61/73/89/825617389.db2.gz PYFRZNVUWQEOFW-TZMCWYRMSA-N 1 3 309.414 -0.370 20 0 DBADHO O=C(N[C@H]1CCN(CCCO)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001090391435 825672553 /nfs/dbraw/zinc/67/25/53/825672553.db2.gz NVAUNGMTXJTTCJ-UONOGXRCSA-N 1 3 311.426 -0.451 20 0 DBADHO COCCN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090604486 825760697 /nfs/dbraw/zinc/76/06/97/825760697.db2.gz CIAOOGIHRUVGDC-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCN(CCO)C[C@H]2O)c1 ZINC001090827456 825861798 /nfs/dbraw/zinc/86/17/98/825861798.db2.gz JPQSRWDUYPTOGM-JKSUJKDBSA-N 1 3 321.421 -0.095 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCCN(c2cccnc2)CC1 ZINC001161234716 832993548 /nfs/dbraw/zinc/99/35/48/832993548.db2.gz GRSVGKWZXWXJJW-OAHLLOKOSA-N 1 3 315.421 -0.071 20 0 DBADHO Cc1ccnc(N2CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)n1 ZINC001161298656 832999579 /nfs/dbraw/zinc/99/95/79/832999579.db2.gz OLDMTQHJGNMNRD-ZDUSSCGKSA-N 1 3 306.414 -0.110 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@@](F)(C[NH3+])C2)COC1(C)C ZINC001161246187 832994611 /nfs/dbraw/zinc/99/46/11/832994611.db2.gz JJVBDZZNEQFJSW-PKFCDNJMSA-N 1 3 316.377 -0.804 20 0 DBADHO CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161288392 832998063 /nfs/dbraw/zinc/99/80/63/832998063.db2.gz JWPZSXQVBKTDMI-NEPJUHHUSA-N 1 3 309.414 -0.942 20 0 DBADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093193729 826098320 /nfs/dbraw/zinc/09/83/20/826098320.db2.gz MIHBARUXZFGUFS-QLFBSQMISA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093193729 826098327 /nfs/dbraw/zinc/09/83/27/826098327.db2.gz MIHBARUXZFGUFS-QLFBSQMISA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001093195701 826099737 /nfs/dbraw/zinc/09/97/37/826099737.db2.gz UQRWGOVCGZCCQR-HZSPNIEDSA-N 1 3 310.442 -0.290 20 0 DBADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001093195701 826099745 /nfs/dbraw/zinc/09/97/45/826099745.db2.gz UQRWGOVCGZCCQR-HZSPNIEDSA-N 1 3 310.442 -0.290 20 0 DBADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093195706 826099816 /nfs/dbraw/zinc/09/98/16/826099816.db2.gz UQRWGOVCGZCCQR-MGPQQGTHSA-N 1 3 310.442 -0.290 20 0 DBADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093195706 826099817 /nfs/dbraw/zinc/09/98/17/826099817.db2.gz UQRWGOVCGZCCQR-MGPQQGTHSA-N 1 3 310.442 -0.290 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161371562 833008556 /nfs/dbraw/zinc/00/85/56/833008556.db2.gz DIEUKTYRGSUWAO-KGLIPLIRSA-N 1 3 306.414 -0.697 20 0 DBADHO COc1ccnc(OC2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)n1 ZINC001161367060 833008920 /nfs/dbraw/zinc/00/89/20/833008920.db2.gz DSPHQLHJUDDWCA-GFCCVEGCSA-N 1 3 323.397 -0.079 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC001094075162 826194464 /nfs/dbraw/zinc/19/44/64/826194464.db2.gz YKJSWHNGAQWXHD-NQBHXWOUSA-N 1 3 305.382 -0.475 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cn(C)nn1 ZINC001094219904 826208870 /nfs/dbraw/zinc/20/88/70/826208870.db2.gz VYCNAXRFMXALTC-MGPQQGTHSA-N 1 3 320.441 -0.049 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cn(C)nn1 ZINC001094219904 826208874 /nfs/dbraw/zinc/20/88/74/826208874.db2.gz VYCNAXRFMXALTC-MGPQQGTHSA-N 1 3 320.441 -0.049 20 0 DBADHO C[C@H]1CN(C2CN(C(=O)[C@@H](N)CSCC[NH3+])C2)C[C@H](C)O1 ZINC001161499024 833028840 /nfs/dbraw/zinc/02/88/40/833028840.db2.gz MRGQYNUXUMOUBZ-GVXVVHGQSA-N 1 3 316.471 -0.674 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CNC[C@H](F)C1)CC2 ZINC001161476202 833022648 /nfs/dbraw/zinc/02/26/48/833022648.db2.gz BEJFOZKMCZNITR-YFCNSXCBSA-N 1 3 313.373 -0.312 20 0 DBADHO C[C@@H]1CN(C2CN(C(=O)[C@@H](N)CSCC[NH3+])C2)C[C@H](C)O1 ZINC001161499026 833029158 /nfs/dbraw/zinc/02/91/58/833029158.db2.gz MRGQYNUXUMOUBZ-LOWVWBTDSA-N 1 3 316.471 -0.674 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@H]21 ZINC001161484919 833024678 /nfs/dbraw/zinc/02/46/78/833024678.db2.gz YUUSGXAHVFNYBI-GRYCIOLGSA-N 1 3 314.455 -0.525 20 0 DBADHO COC(=O)CC[C@@H]1COCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161565586 833034825 /nfs/dbraw/zinc/03/48/25/833034825.db2.gz IAIMHFVDOZQXLI-TZMCWYRMSA-N 1 3 313.398 -0.506 20 0 DBADHO CCN(CC)CC(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098506399 826494653 /nfs/dbraw/zinc/49/46/53/826494653.db2.gz VIAZJVNHPMSZFI-UHFFFAOYSA-N 1 3 301.431 -0.394 20 0 DBADHO O=C(CN1CCCC1)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098561783 826498809 /nfs/dbraw/zinc/49/88/09/826498809.db2.gz NMNFEGDJZJNXSS-UHFFFAOYSA-N 1 3 313.442 -0.250 20 0 DBADHO O=C(CN1CCCC1)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098561783 826498816 /nfs/dbraw/zinc/49/88/16/826498816.db2.gz NMNFEGDJZJNXSS-UHFFFAOYSA-N 1 3 313.442 -0.250 20 0 DBADHO C[NH+](C)CCCC(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001274318387 833060591 /nfs/dbraw/zinc/06/05/91/833060591.db2.gz OLFPRUCPQZRUIS-VSQXVHSFSA-N 1 3 310.398 -0.605 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074936 826826391 /nfs/dbraw/zinc/82/63/91/826826391.db2.gz VQZYWUAQUWYCMG-KGLIPLIRSA-N 1 3 317.430 -0.848 20 0 DBADHO C[NH+](C)CCCCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100076368 826828670 /nfs/dbraw/zinc/82/86/70/826828670.db2.gz KGPJYPUUYVWCRX-ZIAGYGMSSA-N 1 3 301.431 -0.348 20 0 DBADHO CO[C@@H](C)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162871984 833121872 /nfs/dbraw/zinc/12/18/72/833121872.db2.gz CJNTVICTVFKJBD-PGOFDVKTSA-N 1 3 311.426 -0.020 20 0 DBADHO COC[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872018 833122059 /nfs/dbraw/zinc/12/20/59/833122059.db2.gz DFNGKCLGSHGRRB-ILTLLKDXSA-N 1 3 311.426 -0.020 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001274753147 833125010 /nfs/dbraw/zinc/12/50/10/833125010.db2.gz MXGVCGAZBBPXHK-YPMHNXCESA-N 1 3 317.455 -0.533 20 0 DBADHO CN(C)C1(C(=O)NCC2CC([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001100405845 826959226 /nfs/dbraw/zinc/95/92/26/826959226.db2.gz PBGFHBDETXEGFH-WXRRBKDZSA-N 1 3 308.426 -0.156 20 0 DBADHO CN(CC(=O)NCC1CC([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001100410608 826960378 /nfs/dbraw/zinc/96/03/78/826960378.db2.gz DYISMMUGAFMHNJ-YIZWMMSDSA-N 1 3 308.426 -0.156 20 0 DBADHO CC[C@H](C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001100442824 826966737 /nfs/dbraw/zinc/96/67/37/826966737.db2.gz XVIXPOUAJMTSRK-VQXHTEKXSA-N 1 3 313.402 -0.994 20 0 DBADHO C[NH+](C)CCC(=O)NCC1CC(NCCS(C)(=O)=O)C1 ZINC001100636658 826995640 /nfs/dbraw/zinc/99/56/40/826995640.db2.gz DKXKRNZDBZFPNM-UHFFFAOYSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100675947 826999011 /nfs/dbraw/zinc/99/90/11/826999011.db2.gz DLUTZZPVVGSXLQ-WLYUNCDWSA-N 1 3 313.442 -0.036 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC2CC([NH2+]CCOCCO)C2)C1 ZINC001100678156 827000148 /nfs/dbraw/zinc/00/01/48/827000148.db2.gz APQRFIZOWLZILG-WLYUNCDWSA-N 1 3 313.442 -0.179 20 0 DBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001101036051 827064862 /nfs/dbraw/zinc/06/48/62/827064862.db2.gz HNRLWYUKPYUEKM-UHFFFAOYSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288683 827194777 /nfs/dbraw/zinc/19/47/77/827194777.db2.gz PTCKGVHRPPKBTO-JHJVBQTASA-N 1 3 310.442 -0.114 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C ZINC001102496105 827213768 /nfs/dbraw/zinc/21/37/68/827213768.db2.gz DKAQJNZCAJFGER-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1C ZINC001102496105 827213774 /nfs/dbraw/zinc/21/37/74/827213774.db2.gz DKAQJNZCAJFGER-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C ZINC001102496104 827214183 /nfs/dbraw/zinc/21/41/83/827214183.db2.gz DKAQJNZCAJFGER-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1C ZINC001102496104 827214190 /nfs/dbraw/zinc/21/41/90/827214190.db2.gz DKAQJNZCAJFGER-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001275417442 833176835 /nfs/dbraw/zinc/17/68/35/833176835.db2.gz JMYIBIHJXDFIAC-RYUDHWBXSA-N 1 3 312.414 -0.382 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001275417442 833176837 /nfs/dbraw/zinc/17/68/37/833176837.db2.gz JMYIBIHJXDFIAC-RYUDHWBXSA-N 1 3 312.414 -0.382 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001275417441 833176977 /nfs/dbraw/zinc/17/69/77/833176977.db2.gz JMYIBIHJXDFIAC-NWDGAFQWSA-N 1 3 312.414 -0.382 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001275417441 833176980 /nfs/dbraw/zinc/17/69/80/833176980.db2.gz JMYIBIHJXDFIAC-NWDGAFQWSA-N 1 3 312.414 -0.382 20 0 DBADHO CNC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001103998497 827316130 /nfs/dbraw/zinc/31/61/30/827316130.db2.gz XGBMYMUZLGANHI-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C2)C1 ZINC001104680466 827366200 /nfs/dbraw/zinc/36/62/00/827366200.db2.gz QZLRYJADTVFLNT-MGPQQGTHSA-N 1 3 310.442 -0.112 20 0 DBADHO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)S(=O)(=O)CCN)n1 ZINC001164287068 833200759 /nfs/dbraw/zinc/20/07/59/833200759.db2.gz IOAYOCNDYRCFNA-NSHDSACASA-N 1 3 313.427 -0.023 20 0 DBADHO CN(c1ccc(O[C@H]2CCC[NH2+]C2)nn1)S(=O)(=O)CCN ZINC001164292224 833201603 /nfs/dbraw/zinc/20/16/03/833201603.db2.gz HIUSHCDSKMKLFS-JTQLQIEISA-N 1 3 315.399 -0.668 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1cn(C)nn1 ZINC001106627074 827666811 /nfs/dbraw/zinc/66/68/11/827666811.db2.gz RFNATLXWPZPFOL-CHWSQXEVSA-N 1 3 308.430 -0.049 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704931 827670434 /nfs/dbraw/zinc/67/04/34/827670434.db2.gz JQKQRWNHXSSKBM-VXGBXAGGSA-N 1 3 307.398 -0.228 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001106778247 827676285 /nfs/dbraw/zinc/67/62/85/827676285.db2.gz ANUBAWXIXXHKFC-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001107040912 827695349 /nfs/dbraw/zinc/69/53/49/827695349.db2.gz SOIHMQKIURVIKV-MGPQQGTHSA-N 1 3 310.442 -0.101 20 0 DBADHO c1c2c(nnc1N1CCCO[C@@]3(C[NH2+]CCOC3)C1)CCNC2 ZINC001165341350 833242270 /nfs/dbraw/zinc/24/22/70/833242270.db2.gz KKNLTNZWKFIBRN-INIZCTEOSA-N 1 3 319.409 -0.292 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001166633194 833276414 /nfs/dbraw/zinc/27/64/14/833276414.db2.gz BSFVMTPMVJVSFX-LBPRGKRZSA-N 1 3 305.444 -0.389 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001166668221 833277018 /nfs/dbraw/zinc/27/70/18/833277018.db2.gz VWGLGHKGKJSDBC-GFCCVEGCSA-N 1 3 305.444 -0.531 20 0 DBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001166764382 833280565 /nfs/dbraw/zinc/28/05/65/833280565.db2.gz AAPUAZKLWKKLSI-UHFFFAOYSA-N 1 3 319.471 -0.141 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001166852411 833283806 /nfs/dbraw/zinc/28/38/06/833283806.db2.gz QRDRHWMZTYKOES-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)NCCCOC ZINC001168755628 833327774 /nfs/dbraw/zinc/32/77/74/833327774.db2.gz OQOMXTJCEXKDMI-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001168756182 833327875 /nfs/dbraw/zinc/32/78/75/833327875.db2.gz WNCWIFQBHCPNLV-CQSZACIVSA-N 1 3 319.446 -0.552 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001168762399 833328197 /nfs/dbraw/zinc/32/81/97/833328197.db2.gz AMKCHRUAOUJQEH-CQSZACIVSA-N 1 3 311.430 -0.318 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001168762451 833328275 /nfs/dbraw/zinc/32/82/75/833328275.db2.gz BVINHVDRJABXTE-UHFFFAOYSA-N 1 3 312.414 -0.427 20 0 DBADHO COc1ccc(CN2CC[NH+](C)CC2)cc1-n1nnnc1CN ZINC001168924479 833331378 /nfs/dbraw/zinc/33/13/78/833331378.db2.gz ZCKOTTMQINRZAU-UHFFFAOYSA-N 1 3 317.397 -0.123 20 0 DBADHO C[NH+]1CCC(NC(=O)c2ccc(-n3nncc3CN)nn2)CC1 ZINC001169310960 833338360 /nfs/dbraw/zinc/33/83/60/833338360.db2.gz PPVYCPCKGMPEKX-UHFFFAOYSA-N 1 3 316.369 -0.660 20 0 DBADHO Cc1c(CC[NH3+])c(=O)[n-]n1-c1nccc(N2CC[NH2+]CC2)n1 ZINC001170337643 833350853 /nfs/dbraw/zinc/35/08/53/833350853.db2.gz UOUCLAQRLWAMDZ-UHFFFAOYSA-N 1 3 303.370 -0.413 20 0 DBADHO CC(C)[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)N1CCN(C)CC1 ZINC001118277759 829061728 /nfs/dbraw/zinc/06/17/28/829061728.db2.gz MDZIEHXGUFMFEK-CABCVRRESA-N 1 3 313.490 -0.346 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001171763339 833374505 /nfs/dbraw/zinc/37/45/05/833374505.db2.gz ZIHIIURODZQKFP-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCSC1 ZINC001119416971 829259248 /nfs/dbraw/zinc/25/92/48/829259248.db2.gz JXASLUXVINYPIA-WDMOLILDSA-N 1 3 314.455 -0.607 20 0 DBADHO CN1CCCn2nc(C(=O)N(CCCC[NH3+])C(=N)N)cc2C1 ZINC001175094202 833387768 /nfs/dbraw/zinc/38/77/68/833387768.db2.gz GEKPQWXNCADTKN-UHFFFAOYSA-N 1 3 307.402 -0.207 20 0 DBADHO CN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)C1(C[NH3+])CCOCC1 ZINC001120271392 829346259 /nfs/dbraw/zinc/34/62/59/829346259.db2.gz ZAWRZNWTSISEIB-QWHCGFSZSA-N 1 3 324.425 -0.885 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001176975385 833442847 /nfs/dbraw/zinc/44/28/47/833442847.db2.gz OVMKOMNKKBDUAS-UHFFFAOYSA-N 1 3 307.460 -0.143 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001127065779 829980717 /nfs/dbraw/zinc/98/07/17/829980717.db2.gz FHGKMEZXBROCHL-NSHDSACASA-N 1 3 313.402 -0.979 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065779 829980726 /nfs/dbraw/zinc/98/07/26/829980726.db2.gz FHGKMEZXBROCHL-NSHDSACASA-N 1 3 313.402 -0.979 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001127082758 829982422 /nfs/dbraw/zinc/98/24/22/829982422.db2.gz XVHMVODOAKCMTO-GFCCVEGCSA-N 1 3 320.459 -0.886 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001127082758 829982427 /nfs/dbraw/zinc/98/24/27/829982427.db2.gz XVHMVODOAKCMTO-GFCCVEGCSA-N 1 3 320.459 -0.886 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC1 ZINC001127256787 829997566 /nfs/dbraw/zinc/99/75/66/829997566.db2.gz RUYJIRLZKARXTQ-UONOGXRCSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC1 ZINC001127256787 829997569 /nfs/dbraw/zinc/99/75/69/829997569.db2.gz RUYJIRLZKARXTQ-UONOGXRCSA-N 1 3 308.426 -0.201 20 0 DBADHO CC(C)(C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCCC1 ZINC001127322871 830001753 /nfs/dbraw/zinc/00/17/53/830001753.db2.gz ZIVYDKUYIVQTKX-LBPRGKRZSA-N 1 3 324.425 -0.238 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC1CCC1 ZINC001127474159 830013247 /nfs/dbraw/zinc/01/32/47/830013247.db2.gz HVJKRKVCDYYVNG-OAHLLOKOSA-N 1 3 322.453 -0.050 20 0 DBADHO CCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127466668 830013743 /nfs/dbraw/zinc/01/37/43/830013743.db2.gz ZNYKJVDDFLTQNW-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001127481624 830014278 /nfs/dbraw/zinc/01/42/78/830014278.db2.gz VKWZCEPNPXKYFI-SWLSCSKDSA-N 1 3 322.453 -0.051 20 0 DBADHO CCCCNC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475401 830014593 /nfs/dbraw/zinc/01/45/93/830014593.db2.gz UZMUCTMYCYMXLM-CQSZACIVSA-N 1 3 310.442 -0.050 20 0 DBADHO Cc1nc(CNCCNC(=O)c2ccn(CC[NH+](C)C)n2)n[nH]1 ZINC001127559066 830017461 /nfs/dbraw/zinc/01/74/61/830017461.db2.gz ZDIJOBUTNIILLU-UHFFFAOYSA-N 1 3 320.401 -0.609 20 0 DBADHO CC[C@@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001127562052 830017826 /nfs/dbraw/zinc/01/78/26/830017826.db2.gz AJFPNCBNRLSTET-LLVKDONJSA-N 1 3 310.402 -0.972 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC(F)(F)F)CC[N@@H+]1C ZINC001127685477 830022823 /nfs/dbraw/zinc/02/28/23/830022823.db2.gz PHELAQFBZUYVIP-NXEZZACHSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCC(F)(F)F)CC[N@H+]1C ZINC001127685477 830022828 /nfs/dbraw/zinc/02/28/28/830022828.db2.gz PHELAQFBZUYVIP-NXEZZACHSA-N 1 3 324.347 -0.289 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCC1 ZINC001127760433 830027565 /nfs/dbraw/zinc/02/75/65/830027565.db2.gz KRIQWBJTBWEADE-UONOGXRCSA-N 1 3 324.425 -0.822 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCC1 ZINC001127760433 830027570 /nfs/dbraw/zinc/02/75/70/830027570.db2.gz KRIQWBJTBWEADE-UONOGXRCSA-N 1 3 324.425 -0.822 20 0 DBADHO CN(C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127766365 830027910 /nfs/dbraw/zinc/02/79/10/830027910.db2.gz VLLPXBCLACWCRC-ZIAGYGMSSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127766365 830027916 /nfs/dbraw/zinc/02/79/16/830027916.db2.gz VLLPXBCLACWCRC-ZIAGYGMSSA-N 1 3 324.425 -0.824 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC001127778806 830029511 /nfs/dbraw/zinc/02/95/11/830029511.db2.gz GGAGPMLNMJWGIW-UONOGXRCSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC001127778806 830029514 /nfs/dbraw/zinc/02/95/14/830029514.db2.gz GGAGPMLNMJWGIW-UONOGXRCSA-N 1 3 307.398 -0.511 20 0 DBADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780411 830031754 /nfs/dbraw/zinc/03/17/54/830031754.db2.gz YNGLYWBQFANKST-CABCVRRESA-N 1 3 321.425 -0.202 20 0 DBADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780411 830031758 /nfs/dbraw/zinc/03/17/58/830031758.db2.gz YNGLYWBQFANKST-CABCVRRESA-N 1 3 321.425 -0.202 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780168 830032090 /nfs/dbraw/zinc/03/20/90/830032090.db2.gz WJONRZNWNMWEMR-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780168 830032093 /nfs/dbraw/zinc/03/20/93/830032093.db2.gz WJONRZNWNMWEMR-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001128533703 830095494 /nfs/dbraw/zinc/09/54/94/830095494.db2.gz QJAGTTMRUJANDR-GHMZBOCLSA-N 1 3 316.377 -0.823 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001128539231 830096063 /nfs/dbraw/zinc/09/60/63/830096063.db2.gz AYTDBWTZGMJSFZ-CYBMUJFWSA-N 1 3 316.421 -0.006 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001128545178 830097305 /nfs/dbraw/zinc/09/73/05/830097305.db2.gz VPQXACDCDIWDPD-NWDGAFQWSA-N 1 3 302.394 -0.397 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CC2CC2)C[C@@H]1n1ccnn1 ZINC001129228582 830160860 /nfs/dbraw/zinc/16/08/60/830160860.db2.gz YSWNQKHYGNBDCI-KGLIPLIRSA-N 1 3 306.414 -0.019 20 0 DBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001129341010 830173735 /nfs/dbraw/zinc/17/37/35/830173735.db2.gz RCIXRUNCJITCCD-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC2CC2)C1 ZINC001129341010 830173739 /nfs/dbraw/zinc/17/37/39/830173739.db2.gz RCIXRUNCJITCCD-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129363496 830175483 /nfs/dbraw/zinc/17/54/83/830175483.db2.gz HVPXXSUSYNGSRH-AAEUAGOBSA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(N)=O ZINC001129363496 830175486 /nfs/dbraw/zinc/17/54/86/830175486.db2.gz HVPXXSUSYNGSRH-AAEUAGOBSA-N 1 3 312.414 -0.791 20 0 DBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC001129380589 830176407 /nfs/dbraw/zinc/17/64/07/830176407.db2.gz JZARSSMTRCKKIJ-CYBMUJFWSA-N 1 3 309.414 -0.566 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435069 830180200 /nfs/dbraw/zinc/18/02/00/830180200.db2.gz AIVKIIXLKCOYRT-HNNXBMFYSA-N 1 3 310.442 -0.099 20 0 DBADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@@H](C2CC2)N(C)C)n1 ZINC001129435334 830181143 /nfs/dbraw/zinc/18/11/43/830181143.db2.gz FXKJRGAIDUVTRG-CQSZACIVSA-N 1 3 308.430 -0.059 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129534922 830187390 /nfs/dbraw/zinc/18/73/90/830187390.db2.gz DJMSFXWRHYWKMU-SNVBAGLBSA-N 1 3 313.402 -0.979 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129534921 830187579 /nfs/dbraw/zinc/18/75/79/830187579.db2.gz DJMSFXWRHYWKMU-JTQLQIEISA-N 1 3 313.402 -0.979 20 0 DBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129840403 830217873 /nfs/dbraw/zinc/21/78/73/830217873.db2.gz FYUTVVOEPFPJJZ-RYUDHWBXSA-N 1 3 310.398 -0.628 20 0 DBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129840403 830217875 /nfs/dbraw/zinc/21/78/75/830217875.db2.gz FYUTVVOEPFPJJZ-RYUDHWBXSA-N 1 3 310.398 -0.628 20 0 DBADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001129855542 830218908 /nfs/dbraw/zinc/21/89/08/830218908.db2.gz HHZFDLIUGUFYBF-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001129855542 830218917 /nfs/dbraw/zinc/21/89/17/830218917.db2.gz HHZFDLIUGUFYBF-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001129949441 830232456 /nfs/dbraw/zinc/23/24/56/830232456.db2.gz DHQUMKADUAEEEN-LBPRGKRZSA-N 1 3 307.460 -0.287 20 0 DBADHO COCCN[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129983162 830239187 /nfs/dbraw/zinc/23/91/87/830239187.db2.gz PTPRDPVGWDJSBY-KGLIPLIRSA-N 1 3 324.429 -0.392 20 0 DBADHO COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122973 830267883 /nfs/dbraw/zinc/26/78/83/830267883.db2.gz FMRBVUKELALAQY-MCIONIFRSA-N 1 3 322.413 -0.782 20 0 DBADHO COCCN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130122973 830267892 /nfs/dbraw/zinc/26/78/92/830267892.db2.gz FMRBVUKELALAQY-MCIONIFRSA-N 1 3 322.413 -0.782 20 0 DBADHO O=C(NCCN[C@@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001130171868 830272655 /nfs/dbraw/zinc/27/26/55/830272655.db2.gz WZFIJSMBPGDIHT-GFCCVEGCSA-N 1 3 322.409 -0.627 20 0 DBADHO CN(CCC(=O)NCCN[C@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001130556802 830341084 /nfs/dbraw/zinc/34/10/84/830341084.db2.gz YPYHUSWTDGLVEQ-ZDUSSCGKSA-N 1 3 305.382 -0.498 20 0 DBADHO CNC(=O)[C@H](C)NCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558796 830341942 /nfs/dbraw/zinc/34/19/42/830341942.db2.gz PHNDZQVPPHBZMF-LBPRGKRZSA-N 1 3 307.398 -0.252 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130736323 830372078 /nfs/dbraw/zinc/37/20/78/830372078.db2.gz BHKVWHWOTSWOMU-DZGCQCFKSA-N 1 3 323.441 -0.363 20 0 DBADHO C[C@H](O)CCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519214 830478929 /nfs/dbraw/zinc/47/89/29/830478929.db2.gz AKSXPLFBMKQFIS-REWIBIJMSA-N 1 3 311.426 -0.284 20 0 DBADHO O=C(NCC[NH2+]C[C@H]1CCOC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521928 830479287 /nfs/dbraw/zinc/47/92/87/830479287.db2.gz MGWSPPCIGNYXQV-ILTLLKDXSA-N 1 3 309.410 -0.408 20 0 DBADHO C[C@H](O)CCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519213 830479508 /nfs/dbraw/zinc/47/95/08/830479508.db2.gz AKSXPLFBMKQFIS-PGOFDVKTSA-N 1 3 311.426 -0.284 20 0 DBADHO O=C(NCC[NH2+]C[C@H]1CCOC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521931 830480413 /nfs/dbraw/zinc/48/04/13/830480413.db2.gz MGWSPPCIGNYXQV-RXFTYZNJSA-N 1 3 309.410 -0.408 20 0 DBADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131791024 830531783 /nfs/dbraw/zinc/53/17/83/830531783.db2.gz ZBMHGKXTIRADEE-ZIAGYGMSSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@H](NCCNC(=O)c1ccccc1CC[NH+](C)C)C(N)=O ZINC001131798892 830533643 /nfs/dbraw/zinc/53/36/43/830533643.db2.gz BUBHPUKPEWQOPP-LBPRGKRZSA-N 1 3 306.410 -0.016 20 0 DBADHO C[C@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCOCCO ZINC001132278450 830621142 /nfs/dbraw/zinc/62/11/42/830621142.db2.gz PADQXRKWXMTNDQ-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001132738335 830688650 /nfs/dbraw/zinc/68/86/50/830688650.db2.gz ZGCZVMAUEJCGPM-OLZOCXBDSA-N 1 3 324.425 -0.381 20 0 DBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001132738335 830688653 /nfs/dbraw/zinc/68/86/53/830688653.db2.gz ZGCZVMAUEJCGPM-OLZOCXBDSA-N 1 3 324.425 -0.381 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001132886657 830711593 /nfs/dbraw/zinc/71/15/93/830711593.db2.gz QMHSHPACOGBUFM-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NCCNCC(=O)NCC2CC2)CC[N@H+]1C ZINC001132886657 830711598 /nfs/dbraw/zinc/71/15/98/830711598.db2.gz QMHSHPACOGBUFM-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NCc2ccco2)CC1 ZINC001132993043 830727136 /nfs/dbraw/zinc/72/71/36/830727136.db2.gz LBZKXFRDPPPMST-UHFFFAOYSA-N 1 3 322.409 -0.057 20 0 DBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NCC2CCC2)CC1 ZINC001132993620 830727603 /nfs/dbraw/zinc/72/76/03/830727603.db2.gz ZWFJSHQBLJGUDE-UHFFFAOYSA-N 1 3 310.442 -0.050 20 0 DBADHO C[NH+](C)CCC(=O)NCCN[C@H]1CCN(CC(F)(F)F)C1=O ZINC001133290787 830763015 /nfs/dbraw/zinc/76/30/15/830763015.db2.gz CEXDAXMIZJHHDK-JTQLQIEISA-N 1 3 324.347 -0.193 20 0 DBADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NCC(F)(F)F ZINC001133291299 830763934 /nfs/dbraw/zinc/76/39/34/830763934.db2.gz OJSMZMDGRLJFLE-SECBINFHSA-N 1 3 312.336 -0.289 20 0 DBADHO CN(Cc1ccco1)C(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133291708 830764101 /nfs/dbraw/zinc/76/41/01/830764101.db2.gz XDJJTPIIRYPZLU-UHFFFAOYSA-N 1 3 310.398 -0.105 20 0 DBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133294384 830764567 /nfs/dbraw/zinc/76/45/67/830764567.db2.gz GUFKDJNSVZCDMN-UHFFFAOYSA-N 1 3 307.398 -0.645 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133419892 830774536 /nfs/dbraw/zinc/77/45/36/830774536.db2.gz YNWAEPXVOGJBMR-ZIAGYGMSSA-N 1 3 319.446 -0.698 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C(C)C)N(C)C ZINC001133419890 830774832 /nfs/dbraw/zinc/77/48/32/830774832.db2.gz YNWAEPXVOGJBMR-UONOGXRCSA-N 1 3 319.446 -0.698 20 0 DBADHO CC[C@@H](C(=O)NCCNCC(=O)NC(=O)NC)[NH+](CC)CC ZINC001133684018 830808985 /nfs/dbraw/zinc/80/89/85/830808985.db2.gz CBPIEOYODJUVEM-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001133824117 830832419 /nfs/dbraw/zinc/83/24/19/830832419.db2.gz YBDCJJUXGHYHOA-LBPRGKRZSA-N 1 3 305.444 -0.389 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001133849667 830837342 /nfs/dbraw/zinc/83/73/42/830837342.db2.gz BMPGFQHYVWOGAZ-STQMWFEESA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001133849667 830837349 /nfs/dbraw/zinc/83/73/49/830837349.db2.gz BMPGFQHYVWOGAZ-STQMWFEESA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001133845301 830837535 /nfs/dbraw/zinc/83/75/35/830837535.db2.gz ASLLTVBCKXMUJI-LBPRGKRZSA-N 1 3 305.444 -0.531 20 0 DBADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)CN2CC[C@@H](C)C2)n1 ZINC001133846098 830837560 /nfs/dbraw/zinc/83/75/60/830837560.db2.gz TZKIVARUANIFPA-GFCCVEGCSA-N 1 3 308.430 -0.057 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133845901 830837625 /nfs/dbraw/zinc/83/76/25/830837625.db2.gz PUWIEPJXUQUADC-KGLIPLIRSA-N 1 3 317.430 -0.942 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845611 830838248 /nfs/dbraw/zinc/83/82/48/830838248.db2.gz JRUOAEWWTYLSGA-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO CC(C)(C)N1CC[C@](F)(C(=O)NCC[NH2+]CCOCCO)C1 ZINC001133856576 830838967 /nfs/dbraw/zinc/83/89/67/830838967.db2.gz JRWRPCQUBGZGOS-OAHLLOKOSA-N 1 3 319.421 -0.086 20 0 DBADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133851109 830839118 /nfs/dbraw/zinc/83/91/18/830839118.db2.gz XAVAFKLODNFCRC-CYBMUJFWSA-N 1 3 319.471 -0.141 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001133856406 830839625 /nfs/dbraw/zinc/83/96/25/830839625.db2.gz DSCPVHFQZBROJT-QMTHXVAHSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001133856406 830839629 /nfs/dbraw/zinc/83/96/29/830839629.db2.gz DSCPVHFQZBROJT-QMTHXVAHSA-N 1 3 302.394 -0.222 20 0 DBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C)C1CC1 ZINC001133866364 830842043 /nfs/dbraw/zinc/84/20/43/830842043.db2.gz LMPFNHJJBILINX-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C)C1CC1 ZINC001133866364 830842048 /nfs/dbraw/zinc/84/20/48/830842048.db2.gz LMPFNHJJBILINX-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001133870937 830846914 /nfs/dbraw/zinc/84/69/14/830846914.db2.gz XPEXWGMSNJJZQK-GXTWGEPZSA-N 1 3 322.409 -0.201 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001133870937 830846923 /nfs/dbraw/zinc/84/69/23/830846923.db2.gz XPEXWGMSNJJZQK-GXTWGEPZSA-N 1 3 322.409 -0.201 20 0 DBADHO CC1(C)CCN(CC(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001133897123 830850594 /nfs/dbraw/zinc/85/05/94/830850594.db2.gz ZSKYYKZCFXUYQI-CQSZACIVSA-N 1 3 323.441 -0.318 20 0 DBADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001133896060 830851051 /nfs/dbraw/zinc/85/10/51/830851051.db2.gz BVOMVQITPIGNHB-UHFFFAOYSA-N 1 3 310.442 -0.050 20 0 DBADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001133896300 830851161 /nfs/dbraw/zinc/85/11/61/830851161.db2.gz HUSXTYWYTXYDLB-UHFFFAOYSA-N 1 3 324.425 -0.427 20 0 DBADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001133897117 830851260 /nfs/dbraw/zinc/85/12/60/830851260.db2.gz ZOTQOZLHZHWOGX-UHFFFAOYSA-N 1 3 319.471 -0.141 20 0 DBADHO CC1(C)CCN(CC(=O)NCC[NH2+]CCN2CCNC2=O)C1 ZINC001133895991 830851315 /nfs/dbraw/zinc/85/13/15/830851315.db2.gz AHVGRDUVRGXGRT-UHFFFAOYSA-N 1 3 311.430 -0.551 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1)N(C)C ZINC001133962646 830866750 /nfs/dbraw/zinc/86/67/50/830866750.db2.gz JNKIVRYLXNZFBZ-ZDUSSCGKSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCCCC1 ZINC001134756676 830974475 /nfs/dbraw/zinc/97/44/75/830974475.db2.gz IVNUITJTBYFPBW-OLZOCXBDSA-N 1 3 324.425 -0.238 20 0 DBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001134762582 830974854 /nfs/dbraw/zinc/97/48/54/830974854.db2.gz CLFRTWQQQIXTHA-QWHCGFSZSA-N 1 3 324.425 -0.240 20 0 DBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001134762582 830974857 /nfs/dbraw/zinc/97/48/57/830974857.db2.gz CLFRTWQQQIXTHA-QWHCGFSZSA-N 1 3 324.425 -0.240 20 0 DBADHO CC(C)N1CCCC[C@@H]1C(=O)NCC[NH2+]CCOCCO ZINC001134763240 830975400 /nfs/dbraw/zinc/97/54/00/830975400.db2.gz QLFRVPONICKJML-CQSZACIVSA-N 1 3 301.431 -0.036 20 0 DBADHO COC[C@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134763178 830975634 /nfs/dbraw/zinc/97/56/34/830975634.db2.gz OTRIFBDLKBCFLC-KGLIPLIRSA-N 1 3 301.431 -0.038 20 0 DBADHO C[NH+]1CCC(CC(=O)NCCN[C@H]2CCC(=O)NC2=O)CC1 ZINC001134780787 830977996 /nfs/dbraw/zinc/97/79/96/830977996.db2.gz WMZZLCHONUNVMN-LBPRGKRZSA-N 1 3 310.398 -0.771 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114360 831011284 /nfs/dbraw/zinc/01/12/84/831011284.db2.gz AKQMPGBOQNQCAJ-UHFFFAOYSA-N 1 3 324.429 -0.711 20 0 DBADHO CC[C@@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001135118721 831012885 /nfs/dbraw/zinc/01/28/85/831012885.db2.gz QXWVQLHBWJFKEN-GFCCVEGCSA-N 1 3 310.402 -0.972 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)NCCN[C@H]2CCCNC2=O)cn1 ZINC001135118682 831013140 /nfs/dbraw/zinc/01/31/40/831013140.db2.gz PDXAHXDVSYPTGS-ZDUSSCGKSA-N 1 3 322.413 -0.957 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001135512960 831079887 /nfs/dbraw/zinc/07/98/87/831079887.db2.gz CDEVCGDVHDYSAS-LBPRGKRZSA-N 1 3 307.460 -0.285 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001135511556 831079899 /nfs/dbraw/zinc/07/98/99/831079899.db2.gz SNYXBKSEGRVJTC-ZDUSSCGKSA-N 1 3 319.471 -0.141 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001135511586 831080137 /nfs/dbraw/zinc/08/01/37/831080137.db2.gz ULDSFJWPZBJWKD-GFCCVEGCSA-N 1 3 305.444 -0.531 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001135511656 831080313 /nfs/dbraw/zinc/08/03/13/831080313.db2.gz XJAYDRVFQXGYHQ-ZDUSSCGKSA-N 1 3 305.419 -0.942 20 0 DBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135705664 831110789 /nfs/dbraw/zinc/11/07/89/831110789.db2.gz HGXJHKLCDGJZPA-MNOVXSKESA-N 1 3 315.418 -0.604 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001185204173 833783220 /nfs/dbraw/zinc/78/32/20/833783220.db2.gz ITROSIBBPLGIJN-VXGBXAGGSA-N 1 3 307.398 -0.228 20 0 DBADHO O=C(NCCN[C@H]1CCNC1=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333312 831363149 /nfs/dbraw/zinc/36/31/49/831363149.db2.gz ISPBZWOZWGTWIR-AWEZNQCLSA-N 1 3 308.426 -0.297 20 0 DBADHO CNC(=O)[C@@H](C)NCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147339613 831363383 /nfs/dbraw/zinc/36/33/83/831363383.db2.gz JLJIXGDGIMQWPC-GFCCVEGCSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(CC)C(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893846 831415625 /nfs/dbraw/zinc/41/56/25/831415625.db2.gz VDMUPNVARGQYQZ-CYBMUJFWSA-N 1 3 316.446 -0.473 20 0 DBADHO CCCCNC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893830 831415645 /nfs/dbraw/zinc/41/56/45/831415645.db2.gz UXBGMJCGEGYIDK-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO CC(C)N1CC[C@H](NCCNC(=O)COCC[NH+](C)C)C1=O ZINC001147893721 831415828 /nfs/dbraw/zinc/41/58/28/831415828.db2.gz RVYDNYTVAYHTCB-ZDUSSCGKSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001147899968 831416862 /nfs/dbraw/zinc/41/68/62/831416862.db2.gz FDBQEVNRCPIHGY-QWHCGFSZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147899968 831416866 /nfs/dbraw/zinc/41/68/66/831416866.db2.gz FDBQEVNRCPIHGY-QWHCGFSZSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NCC1CCC1 ZINC001147970804 831420749 /nfs/dbraw/zinc/42/07/49/831420749.db2.gz POTDDUNYAZQEMG-UHFFFAOYSA-N 1 3 308.426 -0.296 20 0 DBADHO CCN(C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001148000440 831422286 /nfs/dbraw/zinc/42/22/86/831422286.db2.gz POGCAHPGMHAQGE-UHFFFAOYSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2)N(C)C ZINC001148292748 831442850 /nfs/dbraw/zinc/44/28/50/831442850.db2.gz RXKPWUFQACNDDT-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2)N(C)C ZINC001148292748 831442856 /nfs/dbraw/zinc/44/28/56/831442856.db2.gz RXKPWUFQACNDDT-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO C[C@@H](NCCNC(=O)CCCC[NH+](C)C)C(=O)NC(N)=O ZINC001148365643 831447513 /nfs/dbraw/zinc/44/75/13/831447513.db2.gz VBBFDFHVVQOPDR-SNVBAGLBSA-N 1 3 301.391 -0.993 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H]1CN(CCO)CCCO1)[NH+](C)C ZINC001149881601 831578264 /nfs/dbraw/zinc/57/82/64/831578264.db2.gz PHGPIKDTSCQHTC-KBPBESRZSA-N 1 3 301.431 -0.228 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001150588705 831630516 /nfs/dbraw/zinc/63/05/16/831630516.db2.gz RFPVCEHKCUNHDG-CABCVRRESA-N 1 3 313.442 -0.082 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001150588705 831630520 /nfs/dbraw/zinc/63/05/20/831630520.db2.gz RFPVCEHKCUNHDG-CABCVRRESA-N 1 3 313.442 -0.082 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCCO1 ZINC001150626801 831634829 /nfs/dbraw/zinc/63/48/29/831634829.db2.gz ZBPHFIHUOCWELP-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001150626801 831634832 /nfs/dbraw/zinc/63/48/32/831634832.db2.gz ZBPHFIHUOCWELP-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCCO1 ZINC001150626800 831634978 /nfs/dbraw/zinc/63/49/78/831634978.db2.gz ZBPHFIHUOCWELP-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001150626800 831634984 /nfs/dbraw/zinc/63/49/84/831634984.db2.gz ZBPHFIHUOCWELP-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150626793 831635102 /nfs/dbraw/zinc/63/51/02/831635102.db2.gz YXGAEVGSAKPUHS-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150626793 831635106 /nfs/dbraw/zinc/63/51/06/831635106.db2.gz YXGAEVGSAKPUHS-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCCO1 ZINC001150777529 831646333 /nfs/dbraw/zinc/64/63/33/831646333.db2.gz FZRYJYASLFDCOS-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001150777529 831646335 /nfs/dbraw/zinc/64/63/35/831646335.db2.gz FZRYJYASLFDCOS-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001151049610 831660724 /nfs/dbraw/zinc/66/07/24/831660724.db2.gz UGMLLZKOETVAGE-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCCN(C(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001151049610 831660728 /nfs/dbraw/zinc/66/07/28/831660728.db2.gz UGMLLZKOETVAGE-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCNCCNS(C)(=O)=O ZINC001152149643 831727951 /nfs/dbraw/zinc/72/79/51/831727951.db2.gz ZYSNFGWPJYJPBV-VXGBXAGGSA-N 1 3 320.459 -0.886 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001152426409 831748746 /nfs/dbraw/zinc/74/87/46/831748746.db2.gz HGMPVMPEOYOJSI-LBPRGKRZSA-N 1 3 305.444 -0.533 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152457369 831753525 /nfs/dbraw/zinc/75/35/25/831753525.db2.gz CRBLWKNXJNLPOV-GFCCVEGCSA-N 1 3 320.459 -0.884 20 0 DBADHO CN(c1nccc(N2CCC([NH3+])CC2)n1)S(=O)(=O)CCN ZINC001156239544 831976706 /nfs/dbraw/zinc/97/67/06/831976706.db2.gz UWLDHAAMMDZGLF-UHFFFAOYSA-N 1 3 314.415 -0.871 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@H](OC)CCN1 ZINC001157344590 832035950 /nfs/dbraw/zinc/03/59/50/832035950.db2.gz PPJDTWWRMWZXGT-WOPDTQHZSA-N 1 3 300.403 -0.887 20 0 DBADHO CCOC(=O)c1c[nH]nc1CNC(=O)[C@@]12CC[C@@H]([NH2+]1)[C@H](N)C2 ZINC001157449110 832043358 /nfs/dbraw/zinc/04/33/58/832043358.db2.gz RUTNCVBLPBHUNC-RULNRJAQSA-N 1 3 307.354 -0.576 20 0 DBADHO COC(=O)N1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157507158 832048442 /nfs/dbraw/zinc/04/84/42/832048442.db2.gz FECBRXBHUSBJJB-GFCCVEGCSA-N 1 3 310.398 -0.229 20 0 DBADHO COC(=O)N1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157507158 832048450 /nfs/dbraw/zinc/04/84/50/832048450.db2.gz FECBRXBHUSBJJB-GFCCVEGCSA-N 1 3 310.398 -0.229 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC001157590330 832053345 /nfs/dbraw/zinc/05/33/45/832053345.db2.gz FMELNURSTAQJJM-YNEHKIRRSA-N 1 3 304.394 -0.140 20 0 DBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157717158 832058064 /nfs/dbraw/zinc/05/80/64/832058064.db2.gz XHBWHJPAIWTMJC-IAQYHMDHSA-N 1 3 313.373 -0.026 20 0 DBADHO COC(=O)[C@@]1(F)CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157717158 832058070 /nfs/dbraw/zinc/05/80/70/832058070.db2.gz XHBWHJPAIWTMJC-IAQYHMDHSA-N 1 3 313.373 -0.026 20 0 DBADHO CN(C[C@H]1CNCCO1)C(=O)[C@H]([NH3+])CCC(=O)OC(C)(C)C ZINC001157720155 832058234 /nfs/dbraw/zinc/05/82/34/832058234.db2.gz BGXQVEKNEYMPBX-VXGBXAGGSA-N 1 3 315.414 -0.118 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001157717005 832058502 /nfs/dbraw/zinc/05/85/02/832058502.db2.gz WCBVDVZKYOGFKA-OFQRWUPVSA-N 1 3 311.426 -0.018 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157878252 832069567 /nfs/dbraw/zinc/06/95/67/832069567.db2.gz XXCHPWUJPXAXOE-BBBLOLIVSA-N 1 3 307.316 -0.575 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157935562 832075356 /nfs/dbraw/zinc/07/53/56/832075356.db2.gz DOBKIPBROIOXTC-HZSPNIEDSA-N 1 3 301.431 -0.316 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001157944234 832076815 /nfs/dbraw/zinc/07/68/15/832076815.db2.gz ITQJGGLXQMGNJM-GZBFAFLISA-N 1 3 301.431 -0.363 20 0 DBADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157999531 832082269 /nfs/dbraw/zinc/08/22/69/832082269.db2.gz SIEPCEQSCFOYKZ-OLZOCXBDSA-N 1 3 324.425 -0.776 20 0 DBADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157999531 832082273 /nfs/dbraw/zinc/08/22/73/832082273.db2.gz SIEPCEQSCFOYKZ-OLZOCXBDSA-N 1 3 324.425 -0.776 20 0 DBADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158013021 832082969 /nfs/dbraw/zinc/08/29/69/832082969.db2.gz BEEOJVVRPFOIKC-CHWSQXEVSA-N 1 3 313.442 -0.159 20 0 DBADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158013021 832082975 /nfs/dbraw/zinc/08/29/75/832082975.db2.gz BEEOJVVRPFOIKC-CHWSQXEVSA-N 1 3 313.442 -0.159 20 0 DBADHO O=C(c1csc2c1CCNC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158109289 832091356 /nfs/dbraw/zinc/09/13/56/832091356.db2.gz ANBDMVPVUHQUPD-OAHLLOKOSA-N 1 3 320.418 -0.302 20 0 DBADHO N[C@@H](CC1CCC1)C(=O)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158120388 832091833 /nfs/dbraw/zinc/09/18/33/832091833.db2.gz LWQSDDCQVFPFKE-BLLLJJGKSA-N 1 3 306.410 -0.558 20 0 DBADHO N[C@@H](CC1CCC1)C(=O)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158120390 832092072 /nfs/dbraw/zinc/09/20/72/832092072.db2.gz LWQSDDCQVFPFKE-LRDDRELGSA-N 1 3 306.410 -0.558 20 0 DBADHO [NH3+][C@@H](CO)Cc1cncn1-c1nc(Cl)nc2c1CCNC2 ZINC001158203555 832099305 /nfs/dbraw/zinc/09/93/05/832099305.db2.gz FHGSUTQEZDCSCV-MRVPVSSYSA-N 1 3 308.773 -0.177 20 0 DBADHO O=C([C@@H]1CNC[C@H](F)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260776 832101405 /nfs/dbraw/zinc/10/14/05/832101405.db2.gz GVWMTUBVEWWNGA-NWDGAFQWSA-N 1 3 322.388 -0.353 20 0 DBADHO CN1CC[NH2+]C[C@@H]1C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158334572 832105569 /nfs/dbraw/zinc/10/55/69/832105569.db2.gz AFZZZXHHRPPZEG-ARFHVFGLSA-N 1 3 300.406 -0.012 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CCC2(CNC2)O1 ZINC001158495684 832117170 /nfs/dbraw/zinc/11/71/70/832117170.db2.gz CUGXHDRXMZODRW-RVMXOQNASA-N 1 3 323.393 -0.741 20 0 DBADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158486994 832117861 /nfs/dbraw/zinc/11/78/61/832117861.db2.gz UPDFRNSKNPLKMK-LSDHHAIUSA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158486994 832117863 /nfs/dbraw/zinc/11/78/63/832117863.db2.gz UPDFRNSKNPLKMK-LSDHHAIUSA-N 1 3 321.425 -0.121 20 0 DBADHO CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H](N)CSCC[NH3+] ZINC001158535898 832121001 /nfs/dbraw/zinc/12/10/01/832121001.db2.gz YZPPAIIXSJJTBH-NRUUGDAUSA-N 1 3 301.412 -0.440 20 0 DBADHO O=C(c1[nH]nc2c1CNCC2)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158547681 832121826 /nfs/dbraw/zinc/12/18/26/832121826.db2.gz OYSCOPICRZHFNE-LYOVBCGYSA-N 1 3 317.393 -0.352 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576622 832122915 /nfs/dbraw/zinc/12/29/15/832122915.db2.gz CICOGZNWRCJGOK-UKKRHICBSA-N 1 3 300.378 -0.626 20 0 DBADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001158791047 832136898 /nfs/dbraw/zinc/13/68/98/832136898.db2.gz SHXRFGSAAIHINV-MNOVXSKESA-N 1 3 310.402 -0.564 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821290 832139336 /nfs/dbraw/zinc/13/93/36/832139336.db2.gz GWRWFIXOQGNBCZ-GFCCVEGCSA-N 1 3 318.381 -0.130 20 0 DBADHO COC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)Cc2cn(C)nc21 ZINC001159019000 832152231 /nfs/dbraw/zinc/15/22/31/832152231.db2.gz OMSNVQAOFDBSRM-STQMWFEESA-N 1 3 319.409 -0.699 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001159156012 832159599 /nfs/dbraw/zinc/15/95/99/832159599.db2.gz ZWWHJWZVKJTYBE-CYBMUJFWSA-N 1 3 316.421 -0.006 20 0 DBADHO [NH3+][C@H]1CN[C@H](C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001159136108 832159976 /nfs/dbraw/zinc/15/99/76/832159976.db2.gz MGMLYQFJQHWMGL-FXUDXRNXSA-N 1 3 315.421 -0.054 20 0 DBADHO N[C@H]1C[NH2+][C@H](C(=O)N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)C1 ZINC001159136108 832159977 /nfs/dbraw/zinc/15/99/77/832159977.db2.gz MGMLYQFJQHWMGL-FXUDXRNXSA-N 1 3 315.421 -0.054 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001159155073 832160384 /nfs/dbraw/zinc/16/03/84/832160384.db2.gz ICXCVXMCJJFVKZ-NEPJUHHUSA-N 1 3 302.394 -0.349 20 0 DBADHO N[C@@H](C[NH3+])C(=O)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159160785 832161395 /nfs/dbraw/zinc/16/13/95/832161395.db2.gz RBKUNWLBDVDREW-ZDUSSCGKSA-N 1 3 306.414 -0.850 20 0 DBADHO [NH3+]CCNCC(=O)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001159158952 832161691 /nfs/dbraw/zinc/16/16/91/832161691.db2.gz VPWMQZUNVUMPAG-UHFFFAOYSA-N 1 3 320.441 -0.588 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCOCCO)C2)CC[N@@H+]1C ZINC001269241244 832394905 /nfs/dbraw/zinc/39/49/05/832394905.db2.gz STQSXTCFKSAVTH-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(CCOCCO)C2)CC[N@H+]1C ZINC001269241244 832394913 /nfs/dbraw/zinc/39/49/13/832394913.db2.gz STQSXTCFKSAVTH-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO CN(C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001269248781 832397673 /nfs/dbraw/zinc/39/76/73/832397673.db2.gz RACOWXBLYARZFN-RHSMWYFYSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1CC[C@]2(CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001269248781 832397683 /nfs/dbraw/zinc/39/76/83/832397683.db2.gz RACOWXBLYARZFN-RHSMWYFYSA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001270986982 832603206 /nfs/dbraw/zinc/60/32/06/832603206.db2.gz NFILMEBXNQYYKU-VXGBXAGGSA-N 1 3 324.425 -0.288 20 0 DBADHO C[C@H](C(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C)N1CCCC1 ZINC001271214335 832640230 /nfs/dbraw/zinc/64/02/30/832640230.db2.gz QVWZOQDCKKCUFE-OAGGEKHMSA-N 1 3 324.469 -0.056 20 0 DBADHO Cc1nn(C)cc1CNCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272307362 832769947 /nfs/dbraw/zinc/76/99/47/832769947.db2.gz PCIRGKRMVQGELB-CQSZACIVSA-N 1 3 323.441 -0.409 20 0 DBADHO Cc1nn(C)cc1CNCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272307362 832769953 /nfs/dbraw/zinc/76/99/53/832769953.db2.gz PCIRGKRMVQGELB-CQSZACIVSA-N 1 3 323.441 -0.409 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001272414742 832783856 /nfs/dbraw/zinc/78/38/56/832783856.db2.gz SHNQFGFFFVPGNW-KGLIPLIRSA-N 1 3 324.429 -0.782 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001272524365 832793952 /nfs/dbraw/zinc/79/39/52/832793952.db2.gz IKYFHIUOGSNLKS-XJKSGUPXSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001272524365 832793955 /nfs/dbraw/zinc/79/39/55/832793955.db2.gz IKYFHIUOGSNLKS-XJKSGUPXSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001272524362 832794021 /nfs/dbraw/zinc/79/40/21/832794021.db2.gz IKYFHIUOGSNLKS-CJNGLKHVSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001272524362 832794027 /nfs/dbraw/zinc/79/40/27/832794027.db2.gz IKYFHIUOGSNLKS-CJNGLKHVSA-N 1 3 308.426 -0.249 20 0 DBADHO C[NH+](C)CCN1CC[C@@]2(CCCN2CCN2CCOCC2)C1=O ZINC001272661011 832817511 /nfs/dbraw/zinc/81/75/11/832817511.db2.gz JREXZLMATDZBPE-KRWDZBQOSA-N 1 3 324.469 -0.053 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159768732 832842602 /nfs/dbraw/zinc/84/26/02/832842602.db2.gz ATPHZAWKJYJKFX-SYQHCUMBSA-N 1 3 324.425 -0.663 20 0 DBADHO N[C@@H](C[NH3+])C(=O)N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856087 832851586 /nfs/dbraw/zinc/85/15/86/832851586.db2.gz RKHFFKVWLRTTSL-SNPRPXQTSA-N 1 3 322.384 -0.224 20 0 DBADHO CN(C)C1(C(=O)NCCC[NH2+]CCN2CCNC2=O)CCC1 ZINC001159854669 832851961 /nfs/dbraw/zinc/85/19/61/832851961.db2.gz QHZXWHFYKZTNDU-UHFFFAOYSA-N 1 3 311.430 -0.408 20 0 DBADHO CN(C)C1(C(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)CCC1 ZINC001159862118 832852822 /nfs/dbraw/zinc/85/28/22/832852822.db2.gz VNEPTHYZPARDQQ-UHFFFAOYSA-N 1 3 324.425 -0.284 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CC2CC1(C(=O)NCc1ccco1)C2 ZINC001159930377 832860772 /nfs/dbraw/zinc/86/07/72/832860772.db2.gz SYIUHTYRHPRILO-RYCVTPFZSA-N 1 3 320.393 -0.047 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(C)C1CCC1 ZINC001159997048 832864643 /nfs/dbraw/zinc/86/46/43/832864643.db2.gz CXOBMWMXURXXKV-UHFFFAOYSA-N 1 3 313.402 -0.978 20 0 DBADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@H]21 ZINC001160085702 832873676 /nfs/dbraw/zinc/87/36/76/832873676.db2.gz OTYPOOXIHRGNGQ-XQHKEYJVSA-N 1 3 306.410 -0.976 20 0 DBADHO COCCN(C(=O)[C@@H](N)Cc1cncn1C)C1CC[NH+](C)CC1 ZINC001160439013 832903983 /nfs/dbraw/zinc/90/39/83/832903983.db2.gz FRDDTMYPZRZHCI-HNNXBMFYSA-N 1 3 323.441 -0.141 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)n1ccc([C@@H]2CCC[NH2+]2)nc1=N ZINC001160539336 832915391 /nfs/dbraw/zinc/91/53/91/832915391.db2.gz QLQKWDCPAWBKMI-RYUDHWBXSA-N 1 3 315.381 -0.269 20 0 DBADHO CC(C)(C)N1CCN(C(=O)[C@H](N)CN2CCC([NH3+])CC2)CC1 ZINC001160583196 832921127 /nfs/dbraw/zinc/92/11/27/832921127.db2.gz WGHDZFKAANWVCX-CQSZACIVSA-N 1 3 311.474 -0.321 20 0 DBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647605 832930309 /nfs/dbraw/zinc/93/03/09/832930309.db2.gz PELBVVNDUOMKIR-CHWSQXEVSA-N 1 3 306.410 -0.306 20 0 DBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647605 832930312 /nfs/dbraw/zinc/93/03/12/832930312.db2.gz PELBVVNDUOMKIR-CHWSQXEVSA-N 1 3 306.410 -0.306 20 0 DBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647606 832930347 /nfs/dbraw/zinc/93/03/47/832930347.db2.gz PELBVVNDUOMKIR-OLZOCXBDSA-N 1 3 306.410 -0.306 20 0 DBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647606 832930351 /nfs/dbraw/zinc/93/03/51/832930351.db2.gz PELBVVNDUOMKIR-OLZOCXBDSA-N 1 3 306.410 -0.306 20 0 DBADHO Cn1cnnc1C1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160704456 832935404 /nfs/dbraw/zinc/93/54/04/832935404.db2.gz FCPVNSLAXBCBOM-NSHDSACASA-N 1 3 312.443 -0.460 20 0 DBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001160696352 832935432 /nfs/dbraw/zinc/93/54/32/832935432.db2.gz VGCNVPMRTDHDNT-NWDGAFQWSA-N 1 3 315.439 -0.779 20 0 DBADHO CCN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCCN1C ZINC001273546015 832936214 /nfs/dbraw/zinc/93/62/14/832936214.db2.gz GPEQKUMIEDTJNH-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160761101 832941759 /nfs/dbraw/zinc/94/17/59/832941759.db2.gz VRWJNWKVAPHSJT-OUAUKWLOSA-N 1 3 301.337 -0.465 20 0 DBADHO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1C[C@H](N)C[NH2+]1 ZINC001160789559 832943586 /nfs/dbraw/zinc/94/35/86/832943586.db2.gz XQVWQUFBVIIXJG-PTOFAABTSA-N 1 3 307.354 -0.912 20 0 DBADHO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160789560 832943866 /nfs/dbraw/zinc/94/38/66/832943866.db2.gz XQVWQUFBVIIXJG-QRTLGDNMSA-N 1 3 307.354 -0.912 20 0 DBADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001160820519 832946650 /nfs/dbraw/zinc/94/66/50/832946650.db2.gz YKRIZZQQZABRJI-QNWHQSFQSA-N 1 3 307.394 -0.405 20 0 DBADHO COC(=O)[C@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160819968 832946768 /nfs/dbraw/zinc/94/67/68/832946768.db2.gz PNGWVSJGQQEKOB-JEJJNBGPSA-N 1 3 321.421 -0.014 20 0 DBADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCOC[C@H]1CN(C)C ZINC001160840561 832948723 /nfs/dbraw/zinc/94/87/23/832948723.db2.gz XPXCJPAQGAEBHK-KGLIPLIRSA-N 1 3 314.430 -0.591 20 0 DBADHO COC(=O)C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001160832666 832948847 /nfs/dbraw/zinc/94/88/47/832948847.db2.gz MFFGMRGMPZHNTN-WOSRLPQWSA-N 1 3 309.410 -0.013 20 0 DBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001273710258 832956261 /nfs/dbraw/zinc/95/62/61/832956261.db2.gz ODFQUQXTURMDRX-NEPJUHHUSA-N 1 3 312.414 -0.430 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883900 832957162 /nfs/dbraw/zinc/95/71/62/832957162.db2.gz YJWYKPPJWACKTH-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@H](N)C1CC[NH2+]CC1)CC2 ZINC001160902596 832958994 /nfs/dbraw/zinc/95/89/94/832958994.db2.gz UHSQRQFXCDNIQA-CYBMUJFWSA-N 1 3 321.381 -0.661 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160915852 832960200 /nfs/dbraw/zinc/96/02/00/832960200.db2.gz PEFZHNZBHFGMAT-GWCFXTLKSA-N 1 3 320.397 -0.729 20 0 DBADHO CC(C)(C)C(=O)N1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160948975 832961149 /nfs/dbraw/zinc/96/11/49/832961149.db2.gz OTFALNVVWNMFRF-LBPRGKRZSA-N 1 3 308.426 -0.488 20 0 DBADHO C[NH+]1CCC2(CCN(C(=O)[C@H]3COC4(CNC4)CN3)CC2)CC1 ZINC001160991432 832964267 /nfs/dbraw/zinc/96/42/67/832964267.db2.gz DBJQAKKMNBAQPJ-CQSZACIVSA-N 1 3 322.453 -0.349 20 0 DBADHO N[C@H](C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1)C1CCC(O)CC1 ZINC001161006404 832965006 /nfs/dbraw/zinc/96/50/06/832965006.db2.gz CNGLSJCTIWFYOE-HOAMVYINSA-N 1 3 311.426 -0.420 20 0 DBADHO CN(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)C1(C)CC[NH2+]CC1 ZINC001161066525 832970856 /nfs/dbraw/zinc/97/08/56/832970856.db2.gz AJPXLMUDERUPLP-NSHDSACASA-N 1 3 315.439 -0.636 20 0 DBADHO COC(=O)[C@]1(N)CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001161137805 832981477 /nfs/dbraw/zinc/98/14/77/832981477.db2.gz HGGCCZYKGPGPRE-FZMZJTMJSA-N 1 3 300.403 -0.852 20 0 DBADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@@H](N)CCCC[NH2+]C(C)C)C1 ZINC001161139484 832983319 /nfs/dbraw/zinc/98/33/19/832983319.db2.gz VPYZNDNKYJSBQJ-SWLSCSKDSA-N 1 3 314.430 -0.415 20 0 DBADHO CCOC(=O)CN(CCC[NH3+])C(=O)c1[nH]nc2c1CNCC2 ZINC001161158318 832986526 /nfs/dbraw/zinc/98/65/26/832986526.db2.gz DANKTNUJSKBVHS-UHFFFAOYSA-N 1 3 309.370 -0.591 20 0 DBADHO N[C@H](C(=O)N1Cc2ccnn2CC[C@@H]1CO)C1CC[NH2+]CC1 ZINC001161172879 832988878 /nfs/dbraw/zinc/98/88/78/832988878.db2.gz YKVLSWXJVSSJCB-KGLIPLIRSA-N 1 3 307.398 -0.697 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)[C@H]1CCCN1C ZINC001178356427 833502784 /nfs/dbraw/zinc/50/27/84/833502784.db2.gz MOKIHAHSVFEIDG-FPMFFAJLSA-N 1 3 308.426 -0.062 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179538431 833549788 /nfs/dbraw/zinc/54/97/88/833549788.db2.gz DHRNERYXYQZECQ-XQLPTFJDSA-N 1 3 313.442 -0.086 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001182964661 833697585 /nfs/dbraw/zinc/69/75/85/833697585.db2.gz OJPLXBWYTFBJNQ-OLZOCXBDSA-N 1 3 316.421 -0.055 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001183229589 833710577 /nfs/dbraw/zinc/71/05/77/833710577.db2.gz OCPQNBWWDUDJCX-CYBMUJFWSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001183288731 833712358 /nfs/dbraw/zinc/71/23/58/833712358.db2.gz MHJGYTGQEODLMZ-CYBMUJFWSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001183581917 833723618 /nfs/dbraw/zinc/72/36/18/833723618.db2.gz PERTZTYDTCMVEV-VXGBXAGGSA-N 1 3 320.459 -0.934 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001183759193 833735130 /nfs/dbraw/zinc/73/51/30/833735130.db2.gz GWVNGJHILBUKJI-CHWSQXEVSA-N 1 3 301.431 -0.086 20 0 DBADHO CNC(=O)[C@H](C)N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939404 833742602 /nfs/dbraw/zinc/74/26/02/833742602.db2.gz CTLQNJLRDWPNPO-QWHCGFSZSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CC[C@@H]([NH2+]CCCO)C1 ZINC001184423105 833759395 /nfs/dbraw/zinc/75/93/95/833759395.db2.gz AHXMLTRJRRGPQX-MYMJJRTCSA-N 1 3 309.410 -0.578 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)C(=O)N(C)C ZINC001185230619 833784297 /nfs/dbraw/zinc/78/42/97/833784297.db2.gz XEAKJIORRHMMFH-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001185251729 833786695 /nfs/dbraw/zinc/78/66/95/833786695.db2.gz OJUWBALKXXTSJF-XHSDSOJGSA-N 1 3 322.453 -0.446 20 0 DBADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001185251729 833786698 /nfs/dbraw/zinc/78/66/98/833786698.db2.gz OJUWBALKXXTSJF-XHSDSOJGSA-N 1 3 322.453 -0.446 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385836 833793909 /nfs/dbraw/zinc/79/39/09/833793909.db2.gz VHNUWLVLMHAMOK-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555292 833857000 /nfs/dbraw/zinc/85/70/00/833857000.db2.gz NUXXBWRXHPFOLC-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001187114944 833902324 /nfs/dbraw/zinc/90/23/24/833902324.db2.gz DAHGHIMVSWPNCY-CYBMUJFWSA-N 1 3 312.414 -0.966 20 0 DBADHO Cn1cc(CN[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)cn1 ZINC001187114909 833902994 /nfs/dbraw/zinc/90/29/94/833902994.db2.gz BFGYCUBMFLULJV-CQSZACIVSA-N 1 3 309.414 -0.311 20 0 DBADHO Cc1nc([C@H](C)N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)n[nH]1 ZINC001187122691 833903547 /nfs/dbraw/zinc/90/35/47/833903547.db2.gz YWZKBCCUSLFICF-WCQYABFASA-N 1 3 324.429 -0.057 20 0 DBADHO Cc1nc([C@@H](C)N[C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)n[nH]1 ZINC001187122687 833903879 /nfs/dbraw/zinc/90/38/79/833903879.db2.gz YWZKBCCUSLFICF-DGCLKSJQSA-N 1 3 324.429 -0.057 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001187322688 833917316 /nfs/dbraw/zinc/91/73/16/833917316.db2.gz RQDHKJZVEHOMMB-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001277092550 833925191 /nfs/dbraw/zinc/92/51/91/833925191.db2.gz GUQRRIUHHNYCPF-AVGNSLFASA-N 1 3 324.425 -0.384 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001187817581 833951654 /nfs/dbraw/zinc/95/16/54/833951654.db2.gz ILFAEMVJLGAFKU-VXGBXAGGSA-N 1 3 303.428 -0.827 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001187817581 833951659 /nfs/dbraw/zinc/95/16/59/833951659.db2.gz ILFAEMVJLGAFKU-VXGBXAGGSA-N 1 3 303.428 -0.827 20 0 DBADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@H]4COCCO4)CC3)[C@H]2C1 ZINC001277524974 833964905 /nfs/dbraw/zinc/96/49/05/833964905.db2.gz NEZKGBCWOHXGGB-IHRRRGAJSA-N 1 3 309.410 -0.456 20 0 DBADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@H]4COCCO4)CC3)[C@H]2C1 ZINC001277524974 833964910 /nfs/dbraw/zinc/96/49/10/833964910.db2.gz NEZKGBCWOHXGGB-IHRRRGAJSA-N 1 3 309.410 -0.456 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CCNS(C)(=O)=O ZINC001277772404 833989955 /nfs/dbraw/zinc/98/99/55/833989955.db2.gz XGEZPAZMBBSROP-NWDGAFQWSA-N 1 3 320.459 -0.934 20 0 DBADHO CC(=O)NCC[NH+]1CCC2(CCN(CC(=O)N(C)C)C2)CC1 ZINC001277906151 834005040 /nfs/dbraw/zinc/00/50/40/834005040.db2.gz SVGXQWHECCXMTG-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@H](O)CN1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1 ZINC001277961330 834013989 /nfs/dbraw/zinc/01/39/89/834013989.db2.gz WONNYKSONJNLCX-GOEBONIOSA-N 1 3 312.458 -0.415 20 0 DBADHO CN1CC[C@@H](N2C[C@@H]3CCN(C(=O)CC[NH+](C)C)[C@@H]3C2)C1=O ZINC001189055202 834042173 /nfs/dbraw/zinc/04/21/73/834042173.db2.gz OYGPULSZBMQRNJ-BFHYXJOUSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(CCN1C(=O)CCC1=O)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153517 834336262 /nfs/dbraw/zinc/33/62/62/834336262.db2.gz QGSHOESCXPIYMO-ZDUSSCGKSA-N 1 3 324.425 -0.380 20 0 DBADHO CCOCCS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244268 834349910 /nfs/dbraw/zinc/34/99/10/834349910.db2.gz ZJCHIRSCARJKPD-GFCCVEGCSA-N 1 3 305.444 -0.184 20 0 DBADHO CCOCCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238244268 834349923 /nfs/dbraw/zinc/34/99/23/834349923.db2.gz ZJCHIRSCARJKPD-GFCCVEGCSA-N 1 3 305.444 -0.184 20 0 DBADHO O=S(=O)(C[C@H]1CCCO1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239155 834349973 /nfs/dbraw/zinc/34/99/73/834349973.db2.gz CCYQQHKPLWKRDP-CHWSQXEVSA-N 1 3 317.455 -0.041 20 0 DBADHO O=S(=O)(C[C@H]1CCCO1)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238239155 834349981 /nfs/dbraw/zinc/34/99/81/834349981.db2.gz CCYQQHKPLWKRDP-CHWSQXEVSA-N 1 3 317.455 -0.041 20 0 DBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001238325594 834351719 /nfs/dbraw/zinc/35/17/19/834351719.db2.gz JSCAFAKUKBTYHR-IHRRRGAJSA-N 1 3 317.455 -0.328 20 0 DBADHO O=S(=O)(NC[C@@H]1CC[C@H]2NCCO[C@@H]21)C1CC[NH2+]CC1 ZINC001238328750 834352833 /nfs/dbraw/zinc/35/28/33/834352833.db2.gz UQSBNHWTCVXIKV-CYZMBNFOSA-N 1 3 303.428 -0.575 20 0 DBADHO O=S(=O)(NC[C@@H]1CC[C@@H]2NCCO[C@@H]12)C1CC[NH2+]CC1 ZINC001238328752 834353229 /nfs/dbraw/zinc/35/32/29/834353229.db2.gz UQSBNHWTCVXIKV-DRZSPHRISA-N 1 3 303.428 -0.575 20 0 DBADHO CC(C)(C)OC(=O)[C@H](CCC[NH3+])[N-]S(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238454466 834356249 /nfs/dbraw/zinc/35/62/49/834356249.db2.gz AOBQIDHIQYSMAE-MNOVXSKESA-N 1 3 321.443 -0.283 20 0 DBADHO COC(=O)[C@@H]([N-]S(=O)(=O)CC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001238896862 834369569 /nfs/dbraw/zinc/36/95/69/834369569.db2.gz CLBBEKRVBIDRCJ-RYUDHWBXSA-N 1 3 319.427 -0.944 20 0 DBADHO CCOC(=O)CNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239361590 834395835 /nfs/dbraw/zinc/39/58/35/834395835.db2.gz ASYAOQXDETYBSN-NSHDSACASA-N 1 3 314.455 -0.112 20 0 DBADHO COC(=O)CNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364239 834396268 /nfs/dbraw/zinc/39/62/68/834396268.db2.gz URQFZIHJECNFJD-SNVBAGLBSA-N 1 3 300.428 -0.502 20 0 DBADHO O=C1C[C@@H]2[NH2+]CC[C@]2(NC(=S)NCCN2CCCCC2)N1 ZINC001239367321 834396782 /nfs/dbraw/zinc/39/67/82/834396782.db2.gz QBGVJZMWIKKYFP-SMDDNHRTSA-N 1 3 311.455 -0.486 20 0 DBADHO NCCC[NH2+]CCCNC(=S)NCCN1CCOCC1 ZINC001239397306 834397883 /nfs/dbraw/zinc/39/78/83/834397883.db2.gz ZGJPAKLQEHOVEX-UHFFFAOYSA-N 1 3 303.476 -0.889 20 0 DBADHO COC(=O)[C@@H]1CN(C(=S)NCCN2CCCCC2)C[C@@H]1[NH3+] ZINC001239452942 834399706 /nfs/dbraw/zinc/39/97/06/834399706.db2.gz SRVANCGULQPDMJ-NEPJUHHUSA-N 1 3 314.455 -0.221 20 0 DBADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@H]1COCCN1 ZINC001245996286 834407719 /nfs/dbraw/zinc/40/77/19/834407719.db2.gz VDYOJQVUQFBHOK-SOUVJXGZSA-N 1 3 315.364 -0.227 20 0 DBADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H]2NCCO[C@H]2C1 ZINC001246022675 834410200 /nfs/dbraw/zinc/41/02/00/834410200.db2.gz ASALFGQNKIGTLM-NXOAAHMSSA-N 1 3 305.422 -0.020 20 0 DBADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@@H]2OCCN[C@H]2C1 ZINC001246036666 834412881 /nfs/dbraw/zinc/41/28/81/834412881.db2.gz YNRSJBBWYSVUAN-NXOAAHMSSA-N 1 3 305.422 -0.020 20 0 DBADHO CS(=O)(=O)N1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246079287 834416485 /nfs/dbraw/zinc/41/64/85/834416485.db2.gz DBLTZQBZKGRHOY-NWDGAFQWSA-N 1 3 309.407 -0.938 20 0 DBADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246088042 834417308 /nfs/dbraw/zinc/41/73/08/834417308.db2.gz IBDGSOSGWOSCJC-OXJKWZBOSA-N 1 3 317.405 -0.289 20 0 DBADHO O=c1cc(CN[C@H]2CSC3(C[NH2+]C3)C2)nc2n1CCCNC2 ZINC001246130396 834418914 /nfs/dbraw/zinc/41/89/14/834418914.db2.gz GRKFGBSFQMHRFW-GFCCVEGCSA-N 1 3 321.450 -0.326 20 0 DBADHO COC(=O)C1C[C@@H]2CC([NH2+][C@@H]3CCOC34CNC4)C[C@H](C1)N2 ZINC001246125067 834418994 /nfs/dbraw/zinc/41/89/94/834418994.db2.gz JAJQVSGKTFUDHF-OONHEIRLSA-N 1 3 309.410 -0.221 20 0 DBADHO COC(=O)[C@@H]1C[C@@H](NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])CN1 ZINC001246286195 834427140 /nfs/dbraw/zinc/42/71/40/834427140.db2.gz IKDKBYQXEQVKON-OJROKELRSA-N 1 3 301.387 -0.796 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])N[C@@H]1CCN[C@H](C(=O)OC)C1 ZINC001246513278 834439596 /nfs/dbraw/zinc/43/95/96/834439596.db2.gz SEYAVVFURRALPN-WOPDTQHZSA-N 1 3 300.403 -0.887 20 0 DBADHO COC(=O)C1C[C@@H]2CC(N3CC4(C3)CNCCO4)C[C@H](C1)[NH2+]2 ZINC001246616494 834443020 /nfs/dbraw/zinc/44/30/20/834443020.db2.gz ASFDFTUZDRCRRY-AKJUYKBHSA-N 1 3 309.410 -0.267 20 0 DBADHO O=C1CCC[C@@]2(CNCC[N@@H+](C3C[C@@H]4COC[C@H](C3)N4)C2)N1 ZINC001246649127 834444868 /nfs/dbraw/zinc/44/48/68/834444868.db2.gz AIPXWFZGPSZBLK-DXBFTMOHSA-N 1 3 308.426 -0.550 20 0 DBADHO O=C1CCC[C@@]2(CNCC[N@H+](C3C[C@@H]4COC[C@H](C3)N4)C2)N1 ZINC001246649127 834444874 /nfs/dbraw/zinc/44/48/74/834444874.db2.gz AIPXWFZGPSZBLK-DXBFTMOHSA-N 1 3 308.426 -0.550 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001192970658 834449310 /nfs/dbraw/zinc/44/93/10/834449310.db2.gz WNYDCKAYCNNXNW-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001192970658 834449315 /nfs/dbraw/zinc/44/93/15/834449315.db2.gz WNYDCKAYCNNXNW-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO CN(C)C(=O)CN1CCO[C@@H]2CN(C3CC[NH2+]CC3)CC[C@@H]2C1 ZINC001246718012 834451391 /nfs/dbraw/zinc/45/13/91/834451391.db2.gz GAVKRKMVORQGTQ-GDBMZVCRSA-N 1 3 324.469 -0.151 20 0 DBADHO COC(=O)[C@@H]1COCCC12CN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854250 834458865 /nfs/dbraw/zinc/45/88/65/834458865.db2.gz PQELVJFRIRQWMD-OLZOCXBDSA-N 1 3 309.410 -0.408 20 0 DBADHO COC(=O)[C@@H]1C[C@H](N2CCC(N3CCC([NH3+])CC3)CC2)CN1 ZINC001246970839 834465134 /nfs/dbraw/zinc/46/51/34/834465134.db2.gz WVLVOJUTGFEJLC-GJZGRUSLSA-N 1 3 310.442 -0.223 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[C@H]2CC[NH2+][C@H]2C1)O3 ZINC001247008885 834467613 /nfs/dbraw/zinc/46/76/13/834467613.db2.gz ILDKCONQSPCUEF-TVQXOTEMSA-N 1 3 313.423 -0.728 20 0 DBADHO C[C@H]1C[NH2+]CC[C@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247007107 834467876 /nfs/dbraw/zinc/46/78/76/834467876.db2.gz DYVSIDIOWUGRSO-QWQWKMKNSA-N 1 3 301.412 -0.871 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12)O3 ZINC001247007918 834467887 /nfs/dbraw/zinc/46/78/87/834467887.db2.gz HHTMMKNZEHZOON-PRFQISJJSA-N 1 3 313.423 -0.871 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[NH2+]CCC[C@H]1F)O3 ZINC001247006708 834468319 /nfs/dbraw/zinc/46/83/19/834468319.db2.gz AICUWSSLPVIKSJ-BNDIWNMDSA-N 1 3 319.402 -0.779 20 0 DBADHO C[C@@H]1CC[NH2+]CC[C@@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247012545 834469445 /nfs/dbraw/zinc/46/94/45/834469445.db2.gz UGMJJISNTSSCLS-DGTMBMJNSA-N 1 3 315.439 -0.481 20 0 DBADHO C[C@H]1C[NH2+]CCC[C@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247012971 834469477 /nfs/dbraw/zinc/46/94/77/834469477.db2.gz VKHYAKPGEQSDAS-ZSLBOAEBSA-N 1 3 315.439 -0.481 20 0 DBADHO CN(CCn1cncn1)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487984 834503247 /nfs/dbraw/zinc/50/32/47/834503247.db2.gz JTBHITRQGUQDBP-AWEZNQCLSA-N 1 3 324.429 -0.611 20 0 DBADHO CCN(CC)C[C@H](O)C[N@@H+]1C[C@H]2CN(CCOC)C(=O)[C@H]2C1 ZINC001253187127 834563676 /nfs/dbraw/zinc/56/36/76/834563676.db2.gz VIZIXSSJBGHGBG-KKUMJFAQSA-N 1 3 313.442 -0.274 20 0 DBADHO CCN(CC)C[C@H](O)C[N@H+]1C[C@H]2CN(CCOC)C(=O)[C@H]2C1 ZINC001253187127 834563684 /nfs/dbraw/zinc/56/36/84/834563684.db2.gz VIZIXSSJBGHGBG-KKUMJFAQSA-N 1 3 313.442 -0.274 20 0 DBADHO CN(C)CCN1CCN(C[C@H](O)C[NH2+]C(C)(C)C)CCC1=O ZINC001253394162 834568661 /nfs/dbraw/zinc/56/86/61/834568661.db2.gz HNLKWXMJHXSHQW-CQSZACIVSA-N 1 3 314.474 -0.169 20 0 DBADHO CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)OC ZINC001195700364 834717463 /nfs/dbraw/zinc/71/74/63/834717463.db2.gz BSBVSTBFSFNHHJ-MGPQQGTHSA-N 1 3 301.431 -0.086 20 0 DBADHO CO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001195860533 834731089 /nfs/dbraw/zinc/73/10/89/834731089.db2.gz YRNCTACAJGEEGG-KFWWJZLASA-N 1 3 313.442 -0.086 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@H]1O ZINC001195860511 834731155 /nfs/dbraw/zinc/73/11/55/834731155.db2.gz YBMXTKPZDMSSQW-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO CCO[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001195859663 834731690 /nfs/dbraw/zinc/73/16/90/834731690.db2.gz MZDGZNXNJSKACU-KFWWJZLASA-N 1 3 313.442 -0.086 20 0 DBADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869905 834733268 /nfs/dbraw/zinc/73/32/68/834733268.db2.gz FSLCLXCUHNWWST-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@H]1O ZINC001197535756 834879733 /nfs/dbraw/zinc/87/97/33/834879733.db2.gz CTPCNFSEQPZZHP-BFHYXJOUSA-N 1 3 301.431 -0.350 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCC[C@H](C)O)C[C@H]1O ZINC001197535756 834879743 /nfs/dbraw/zinc/87/97/43/834879743.db2.gz CTPCNFSEQPZZHP-BFHYXJOUSA-N 1 3 301.431 -0.350 20 0 DBADHO CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1)OC ZINC001197536091 834880885 /nfs/dbraw/zinc/88/08/85/834880885.db2.gz IYUMAPBIYAJCEW-BFHYXJOUSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1)OC ZINC001197536091 834880889 /nfs/dbraw/zinc/88/08/89/834880889.db2.gz IYUMAPBIYAJCEW-BFHYXJOUSA-N 1 3 301.431 -0.086 20 0 DBADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197791585 834903096 /nfs/dbraw/zinc/90/30/96/834903096.db2.gz FLCIPATURJCTIF-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001197791585 834903102 /nfs/dbraw/zinc/90/31/02/834903102.db2.gz FLCIPATURJCTIF-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO CCCCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826257 834907251 /nfs/dbraw/zinc/90/72/51/834907251.db2.gz STILVVILTHFEBL-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+](C[C@H]3CCOC3)CC2)C1=O ZINC001262200562 834917079 /nfs/dbraw/zinc/91/70/79/834917079.db2.gz AFUGETIERYRFKI-OCCSQVGLSA-N 1 3 324.425 -0.031 20 0 DBADHO CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+]CCO ZINC001264538860 835035139 /nfs/dbraw/zinc/03/51/39/835035139.db2.gz NDWOQPLJJADJAO-ZIAGYGMSSA-N 1 3 301.431 -0.228 20 0 DBADHO NC(=O)CNC[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528698 835135294 /nfs/dbraw/zinc/13/52/94/835135294.db2.gz MNYHUABRMWLFKI-UONOGXRCSA-N 1 3 324.425 -0.979 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200850046 835155188 /nfs/dbraw/zinc/15/51/88/835155188.db2.gz CWLCBBRQXHTJLJ-CYBMUJFWSA-N 1 3 301.431 -0.084 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC1 ZINC001201308874 835182611 /nfs/dbraw/zinc/18/26/11/835182611.db2.gz GSLGVSJILRFFEP-CYBMUJFWSA-N 1 3 312.414 -0.979 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334246 835183453 /nfs/dbraw/zinc/18/34/53/835183453.db2.gz HRDRRROPZOPLKM-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO Cc1nc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)CCCO2)n[nH]1 ZINC001201333860 835184076 /nfs/dbraw/zinc/18/40/76/835184076.db2.gz DYGQOTXVPHRJMS-ZDUSSCGKSA-N 1 3 324.429 -0.228 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001201403670 835189114 /nfs/dbraw/zinc/18/91/14/835189114.db2.gz ONHKPXNINCFRSS-GJZGRUSLSA-N 1 3 313.442 -0.082 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201679280 835203269 /nfs/dbraw/zinc/20/32/69/835203269.db2.gz ULBDLRSMQGPOPM-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CCCO)CC1 ZINC001201701833 835203780 /nfs/dbraw/zinc/20/37/80/835203780.db2.gz SNCRTAICTAQJGS-GNHJJJEISA-N 1 3 323.437 -0.187 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001201808382 835210240 /nfs/dbraw/zinc/21/02/40/835210240.db2.gz CMNXQPHECJVESF-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001201808382 835210247 /nfs/dbraw/zinc/21/02/47/835210247.db2.gz CMNXQPHECJVESF-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CNC(=O)CNC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201873131 835216247 /nfs/dbraw/zinc/21/62/47/835216247.db2.gz VDSDCORBHOHVOG-CYBMUJFWSA-N 1 3 324.425 -0.965 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001201924837 835220150 /nfs/dbraw/zinc/22/01/50/835220150.db2.gz UMEWSOPTSYRWQV-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266149314 835238839 /nfs/dbraw/zinc/23/88/39/835238839.db2.gz UKICGPBSOMQERU-AAEUAGOBSA-N 1 3 324.425 -0.240 20 0 DBADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H](O)COC)CC1)N(C)C ZINC001202531256 835253364 /nfs/dbraw/zinc/25/33/64/835253364.db2.gz DQPZHZCPNOZZMI-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO CN(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204799457 835328444 /nfs/dbraw/zinc/32/84/44/835328444.db2.gz XJWCDLMYTPEUKU-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001266533788 835331269 /nfs/dbraw/zinc/33/12/69/835331269.db2.gz QOGWOMKYIGLJDX-LSDHHAIUSA-N 1 3 313.442 -0.225 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266533788 835331278 /nfs/dbraw/zinc/33/12/78/835331278.db2.gz QOGWOMKYIGLJDX-LSDHHAIUSA-N 1 3 313.442 -0.225 20 0 DBADHO CN(Cc1cccc(C(=O)NCC[NH3+])c1)C[C@H]1CNCCO1 ZINC001205375981 835341424 /nfs/dbraw/zinc/34/14/24/835341424.db2.gz BLXYLKCQRBGCSD-OAHLLOKOSA-N 1 3 306.410 -0.205 20 0 DBADHO CN(Cc1ccc(N2CC[NH2+]CC2)nc1)C[C@H]1CNCCO1 ZINC001205537475 835347425 /nfs/dbraw/zinc/34/74/25/835347425.db2.gz HHZLVFZLASLUIU-OAHLLOKOSA-N 1 3 305.426 -0.089 20 0 DBADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702336 835363697 /nfs/dbraw/zinc/36/36/97/835363697.db2.gz YBLZUOYHAIFVPD-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CNC(=O)C[NH2+]CC1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001206275574 835388765 /nfs/dbraw/zinc/38/87/65/835388765.db2.gz VMPJYYRALDIJHN-ZDUSSCGKSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CC[NH2+]CCN(C)S(C)(=O)=O)C(=O)CN1CCCC1 ZINC001267081821 835440400 /nfs/dbraw/zinc/44/04/00/835440400.db2.gz UWLIRSOHWNPDQR-UHFFFAOYSA-N 1 3 320.459 -0.978 20 0 DBADHO CCS(=O)(=O)NCC[NH2+]CCN(C)C(=O)[C@H]1CCCN1C ZINC001267354955 835492142 /nfs/dbraw/zinc/49/21/42/835492142.db2.gz CUAZETYFJCBFQM-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001267372447 835496794 /nfs/dbraw/zinc/49/67/94/835496794.db2.gz QBJNNAHXCVMQTP-STQMWFEESA-N 1 3 324.425 -0.288 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001267372447 835496800 /nfs/dbraw/zinc/49/68/00/835496800.db2.gz QBJNNAHXCVMQTP-STQMWFEESA-N 1 3 324.425 -0.288 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001268091133 835632017 /nfs/dbraw/zinc/63/20/17/835632017.db2.gz AWYBXBIRTPLCKS-RYUDHWBXSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001268091133 835632018 /nfs/dbraw/zinc/63/20/18/835632018.db2.gz AWYBXBIRTPLCKS-RYUDHWBXSA-N 1 3 312.414 -0.430 20 0 DBADHO CN(CC(=O)N1CC[C@H]2CN(CCn3ccnc3)C[C@H]21)C(N)=[NH2+] ZINC001268995780 835854230 /nfs/dbraw/zinc/85/42/30/835854230.db2.gz APYLHMJROKCPFG-QWHCGFSZSA-N 1 3 319.413 -0.759 20 0 DBADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCOCCO ZINC001485302068 1013106389 /nfs/dbraw/zinc/10/63/89/1013106389.db2.gz KZJDZLMMWVNXED-HIFRSBDPSA-N 1 3 313.442 -0.226 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001485954915 1013446718 /nfs/dbraw/zinc/44/67/18/1013446718.db2.gz AUFMAILTCLBZQP-RYUDHWBXSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001485954915 1013446727 /nfs/dbraw/zinc/44/67/27/1013446727.db2.gz AUFMAILTCLBZQP-RYUDHWBXSA-N 1 3 305.444 -0.581 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001485962477 1013451754 /nfs/dbraw/zinc/45/17/54/1013451754.db2.gz YGYRABSWRBGVSB-VXGBXAGGSA-N 1 3 312.414 -0.432 20 0 DBADHO C[C@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001486122213 1013690300 /nfs/dbraw/zinc/69/03/00/1013690300.db2.gz PXCDEVYAEKXERC-STQMWFEESA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@H]1C[C@@H](NCCS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001486122211 1013689196 /nfs/dbraw/zinc/68/91/96/1013689196.db2.gz PXCDEVYAEKXERC-QWHCGFSZSA-N 1 3 319.471 -0.048 20 0 DBADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000869779597 977415930 /nfs/dbraw/zinc/41/59/30/977415930.db2.gz ZVRALEZHRCRWMJ-UONOGXRCSA-N 1 3 310.442 -0.662 20 0 DBADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000869779597 977415933 /nfs/dbraw/zinc/41/59/33/977415933.db2.gz ZVRALEZHRCRWMJ-UONOGXRCSA-N 1 3 310.442 -0.662 20 0 DBADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000869779596 977416629 /nfs/dbraw/zinc/41/66/29/977416629.db2.gz ZVRALEZHRCRWMJ-KBPBESRZSA-N 1 3 310.442 -0.662 20 0 DBADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000869779596 977416633 /nfs/dbraw/zinc/41/66/33/977416633.db2.gz ZVRALEZHRCRWMJ-KBPBESRZSA-N 1 3 310.442 -0.662 20 0 DBADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051931387 977563164 /nfs/dbraw/zinc/56/31/64/977563164.db2.gz ZOSMCASYBMFTPZ-DZGCQCFKSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931387 977563173 /nfs/dbraw/zinc/56/31/73/977563173.db2.gz ZOSMCASYBMFTPZ-DZGCQCFKSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051931390 977563338 /nfs/dbraw/zinc/56/33/38/977563338.db2.gz ZOSMCASYBMFTPZ-ZFWWWQNUSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931390 977563347 /nfs/dbraw/zinc/56/33/47/977563347.db2.gz ZOSMCASYBMFTPZ-ZFWWWQNUSA-N 1 3 321.425 -0.311 20 0 DBADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001488535011 1014458416 /nfs/dbraw/zinc/45/84/16/1014458416.db2.gz WOUGAFZMBVFPKD-JHJVBQTASA-N 1 3 308.426 -0.347 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157969317 978154185 /nfs/dbraw/zinc/15/41/85/978154185.db2.gz LSSMSIHSJYWHFG-SECBINFHSA-N 1 3 320.315 -0.972 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001208261595 978328644 /nfs/dbraw/zinc/32/86/44/978328644.db2.gz QEMGDFCLMDSUND-VXGBXAGGSA-N 1 3 302.394 -0.268 20 0 DBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001208489215 978380758 /nfs/dbraw/zinc/38/07/58/978380758.db2.gz GBGMSSQUBMKBGX-CYBMUJFWSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209447388 978456848 /nfs/dbraw/zinc/45/68/48/978456848.db2.gz ZQZSWXISFKKEMT-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001209640970 978468966 /nfs/dbraw/zinc/46/89/66/978468966.db2.gz GCYSEWMLBSOHMF-CABCVRRESA-N 1 3 313.442 -0.082 20 0 DBADHO Nc1cc[nH+]cc1CN1CCN(CCN2CCOCC2)CC1 ZINC001209734942 978476393 /nfs/dbraw/zinc/47/63/93/978476393.db2.gz UVQUDHSTLRFGEV-UHFFFAOYSA-N 1 3 305.426 -0.056 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210673635 978524437 /nfs/dbraw/zinc/52/44/37/978524437.db2.gz FLGAMLLAGNWZMP-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210673630 978525952 /nfs/dbraw/zinc/52/59/52/978525952.db2.gz FLGAMLLAGNWZMP-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@H](N[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(N)=O ZINC001210685032 978527693 /nfs/dbraw/zinc/52/76/93/978527693.db2.gz LUBHJIGIMWZFBB-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685053 978528257 /nfs/dbraw/zinc/52/82/57/978528257.db2.gz MAHHKELKSSEACJ-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001210811184 978532343 /nfs/dbraw/zinc/53/23/43/978532343.db2.gz KWKSEGWEDHWUME-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001211063827 978553338 /nfs/dbraw/zinc/55/33/38/978553338.db2.gz AUQCKTXCWATHJU-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001211063827 978553344 /nfs/dbraw/zinc/55/33/44/978553344.db2.gz AUQCKTXCWATHJU-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1C ZINC001214344231 978725893 /nfs/dbraw/zinc/72/58/93/978725893.db2.gz PKZSWZDZPNFGEW-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861243 978754393 /nfs/dbraw/zinc/75/43/93/978754393.db2.gz MKAPSVWNGVAGTH-VHDGCEQUSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1N[C@H]1CCNC1=O ZINC001215416011 978769325 /nfs/dbraw/zinc/76/93/25/978769325.db2.gz MMXAQBVWHAVSCO-FRRDWIJNSA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001215423193 978769514 /nfs/dbraw/zinc/76/95/14/978769514.db2.gz BBFUIGBEFYSHAO-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001215540012 978772728 /nfs/dbraw/zinc/77/27/28/978772728.db2.gz GLNRPWQWNMNHTP-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001216001482 978781550 /nfs/dbraw/zinc/78/15/50/978781550.db2.gz DHRGUYFOWJOFPQ-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001216511167 978788239 /nfs/dbraw/zinc/78/82/39/978788239.db2.gz KVICAUXMNQEKHC-JHJVBQTASA-N 1 3 324.425 -0.430 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@H]32)cc1 ZINC001218151130 978820492 /nfs/dbraw/zinc/82/04/92/978820492.db2.gz UZJFRCRVNWIYPL-ZQDZILKHSA-N 1 3 305.378 -0.060 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1nnco1 ZINC001218501514 978825129 /nfs/dbraw/zinc/82/51/29/978825129.db2.gz PYGDWPRQMGFBGQ-UWVGGRQHSA-N 1 3 310.358 -0.545 20 0 DBADHO Cn1cnc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218504914 978825328 /nfs/dbraw/zinc/82/53/28/978825328.db2.gz VSGXGHMDKMBYNY-QWRGUYRKSA-N 1 3 323.401 -0.799 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218510798 978826285 /nfs/dbraw/zinc/82/62/85/978826285.db2.gz OGHBCMKTBQIWPS-LBPRGKRZSA-N 1 3 321.381 -0.441 20 0 DBADHO O=C(Nc1cncnc1Br)[C@@H]1C[NH2+]CC12CNC2 ZINC001218570140 978832921 /nfs/dbraw/zinc/83/29/21/978832921.db2.gz FZGCFZKMNWXEAB-ZETCQYMHSA-N 1 3 312.171 -0.013 20 0 DBADHO N[C@H](C(=O)Nc1cncc(N2CCOCC2)n1)C1CC[NH2+]CC1 ZINC001218575108 978833109 /nfs/dbraw/zinc/83/31/09/978833109.db2.gz BXHNSRYEJJDAOP-AWEZNQCLSA-N 1 3 320.397 -0.421 20 0 DBADHO COC(=O)c1n[nH]c(C)c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218640409 978840058 /nfs/dbraw/zinc/84/00/58/978840058.db2.gz OKJHMUSOEDCIPI-YMTOWFKASA-N 1 3 307.354 -0.358 20 0 DBADHO CN[C@H](C(=O)N(c1ncccc1N)C1CC[NH2+]CC1)[C@@H](C)O ZINC001218695876 978845215 /nfs/dbraw/zinc/84/52/15/978845215.db2.gz IFYDXYOKASQWNL-MFKMUULPSA-N 1 3 307.398 -0.282 20 0 DBADHO Cc1nc2nc[nH]c2c(NC(=O)[C@@H](N)CN2CCC([NH3+])CC2)n1 ZINC001218699799 978845802 /nfs/dbraw/zinc/84/58/02/978845802.db2.gz QSWREVRHNLDTBT-JTQLQIEISA-N 1 3 318.385 -0.650 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ncccc1CN1CCOCC1 ZINC001218701021 978845906 /nfs/dbraw/zinc/84/59/06/978845906.db2.gz XGNFTNAVSBFIDY-ZDUSSCGKSA-N 1 3 307.398 -0.082 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cc([C@H]2CCCN2)no1 ZINC001218711012 978847080 /nfs/dbraw/zinc/84/70/80/978847080.db2.gz KFYQMGLKWOHQCI-ZJUUUORDSA-N 1 3 307.354 -0.094 20 0 DBADHO CN1CCNC[C@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730777 978848367 /nfs/dbraw/zinc/84/83/67/978848367.db2.gz FDZAUOLAWMRGSR-OLZOCXBDSA-N 1 3 305.382 -0.336 20 0 DBADHO COC[C@@H](C)Oc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)[nH]n1 ZINC001218720108 978848532 /nfs/dbraw/zinc/84/85/32/978848532.db2.gz XWEMTTIKZFBYTD-NXEZZACHSA-N 1 3 309.370 -0.429 20 0 DBADHO COC(=O)c1c[nH]c2ncnc(NC(=O)[C@@H](N)CCC[NH3+])c12 ZINC001218772857 978851821 /nfs/dbraw/zinc/85/18/21/978851821.db2.gz XOKZFFCKOORGGK-QMMMGPOBSA-N 1 3 306.326 -0.251 20 0 DBADHO CCc1c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(C(N)=O)nn1C ZINC001218789018 978852696 /nfs/dbraw/zinc/85/26/96/978852696.db2.gz XKDWRAZRPVATON-JTQLQIEISA-N 1 3 308.386 -0.653 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC001218873120 978856414 /nfs/dbraw/zinc/85/64/14/978856414.db2.gz GAMAOSNNTCPTAC-ZDUSSCGKSA-N 1 3 305.382 -0.373 20 0 DBADHO CS(=O)(=O)N(CC[NH3+])CC(=O)Nc1cccc2c1CNC2 ZINC001218992664 978865098 /nfs/dbraw/zinc/86/50/98/978865098.db2.gz AQUYRWNNOMRZSU-UHFFFAOYSA-N 1 3 312.395 -0.551 20 0 DBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001219027958 978865191 /nfs/dbraw/zinc/86/51/91/978865191.db2.gz JESULZLEVSAGRH-CYBMUJFWSA-N 1 3 318.377 -0.563 20 0 DBADHO COC(=O)c1ccc(N)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001219146617 978883391 /nfs/dbraw/zinc/88/33/91/978883391.db2.gz FVMHUVZTOMJNNI-JTQLQIEISA-N 1 3 304.350 -0.197 20 0 DBADHO [NH3+]Cc1ccc(NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)cc1 ZINC001219345559 978918307 /nfs/dbraw/zinc/91/83/07/978918307.db2.gz UBNVHMLOLJLNCA-GFCCVEGCSA-N 1 3 309.391 -0.140 20 0 DBADHO Cc1cccn2c(CNC(=O)[C@@H]3C[NH2+]CC34CNC4)nnc12 ZINC001219597564 978976669 /nfs/dbraw/zinc/97/66/69/978976669.db2.gz LXKBVUDPFKWFRW-NSHDSACASA-N 1 3 300.366 -0.537 20 0 DBADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)C(=O)N2 ZINC001219687585 978995296 /nfs/dbraw/zinc/99/52/96/978995296.db2.gz UGMDFGVYGSMLCM-DGCLKSJQSA-N 1 3 300.362 -0.087 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@H]1CN(C)CCO1 ZINC001219695849 978996150 /nfs/dbraw/zinc/99/61/50/978996150.db2.gz ZTZTZJBMWNLXMC-KBPBESRZSA-N 1 3 300.447 -0.071 20 0 DBADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CNCc2ccnn2C1 ZINC001219736894 979003229 /nfs/dbraw/zinc/00/32/29/979003229.db2.gz KOPCSZUGJRVUDE-YPMHNXCESA-N 1 3 305.382 -0.903 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741892 979004564 /nfs/dbraw/zinc/00/45/64/979004564.db2.gz XFWRDHVBTPJRHE-RYUDHWBXSA-N 1 3 313.398 -0.316 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219769210 979010978 /nfs/dbraw/zinc/01/09/78/979010978.db2.gz UIYNDCXMTNTAEK-MJVIPROJSA-N 1 3 300.378 -0.468 20 0 DBADHO O=C(C[C@H]1COCCN1)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796256 979016312 /nfs/dbraw/zinc/01/63/12/979016312.db2.gz SVFIHOQHTONUGT-AWEZNQCLSA-N 1 3 310.442 -0.303 20 0 DBADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001219813606 979024272 /nfs/dbraw/zinc/02/42/72/979024272.db2.gz WWHCUGXEFPIVNM-DARAHFNDSA-N 1 3 309.410 -0.503 20 0 DBADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1ccc2c(n1)CCNC2 ZINC001219815024 979025298 /nfs/dbraw/zinc/02/52/98/979025298.db2.gz RAMLCVZIQFGITI-LRDDRELGSA-N 1 3 302.378 -0.307 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001219847677 979030628 /nfs/dbraw/zinc/03/06/28/979030628.db2.gz OVOTZQIQJFCERG-FXUDXRNXSA-N 1 3 322.453 -0.304 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219847282 979030719 /nfs/dbraw/zinc/03/07/19/979030719.db2.gz BSTBXFXRYWZNMN-OLMNGRFOSA-N 1 3 322.453 -0.304 20 0 DBADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)[C@@H](C)O ZINC001219881404 979037534 /nfs/dbraw/zinc/03/75/34/979037534.db2.gz WYKNKKOQYKFGPZ-WOPDTQHZSA-N 1 3 303.403 -0.479 20 0 DBADHO O=C(N[C@@H]1CCc2[nH]c(=O)ccc2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219889899 979039713 /nfs/dbraw/zinc/03/97/13/979039713.db2.gz CCPAPGWDSIQUNN-NEPJUHHUSA-N 1 3 302.378 -0.430 20 0 DBADHO O=C(N[C@@H]1CCc2[nH]c(=O)ccc2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001219889903 979040026 /nfs/dbraw/zinc/04/00/26/979040026.db2.gz CCPAPGWDSIQUNN-VXGBXAGGSA-N 1 3 302.378 -0.430 20 0 DBADHO O=C(N[C@H]1CCc2[nH]c(=O)ccc2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219890854 979040082 /nfs/dbraw/zinc/04/00/82/979040082.db2.gz LNMVGBDIMUOOHA-IIYDPXPESA-N 1 3 316.405 -0.040 20 0 DBADHO COc1ccc(CCNC(=O)[C@H]2C[NH2+]CC23CNC3)cc1O ZINC001219910235 979043530 /nfs/dbraw/zinc/04/35/30/979043530.db2.gz UURQVKGXHLRSCR-GFCCVEGCSA-N 1 3 305.378 -0.132 20 0 DBADHO O=C(NC[C@@H](O)COc1ccccc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219918116 979043852 /nfs/dbraw/zinc/04/38/52/979043852.db2.gz FEACCPZNGHSRAK-TZMCWYRMSA-N 1 3 305.378 -0.649 20 0 DBADHO CS(=O)(=O)N(C(=O)[C@@H]1C[C@H](O)CN1)c1ccc(C[NH3+])cc1 ZINC001219939038 979047199 /nfs/dbraw/zinc/04/71/99/979047199.db2.gz PFJMNUQHWFJLOU-RYUDHWBXSA-N 1 3 313.379 -0.839 20 0 DBADHO O=C(CNC(=O)[C@H]1C[NH2+]CC12CNC2)N1CCc2ccccc21 ZINC001219978139 979055775 /nfs/dbraw/zinc/05/57/75/979055775.db2.gz DVJVXXFURFEQLR-CYBMUJFWSA-N 1 3 314.389 -0.499 20 0 DBADHO Cn1c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(N=O)c(=O)[nH]c1=O ZINC001219984272 979056874 /nfs/dbraw/zinc/05/68/74/979056874.db2.gz BXCPZBWWACULKG-SSDOTTSWSA-N 1 3 310.314 -0.851 20 0 DBADHO COC(=O)C1(NC(=O)C2(N)Cc3ccccc3C2)CC[NH2+]CC1 ZINC001220001252 979058329 /nfs/dbraw/zinc/05/83/29/979058329.db2.gz NLCQNEDGSPHTAK-UHFFFAOYSA-N 1 3 317.389 -0.106 20 0 DBADHO COC(=O)C1(NC(=O)c2[nH]nc3c2CNCC3)CC[NH2+]CC1 ZINC001220003714 979060897 /nfs/dbraw/zinc/06/08/97/979060897.db2.gz TUTSRUFBTRFOLA-UHFFFAOYSA-N 1 3 307.354 -0.920 20 0 DBADHO COC(=O)C1(NC(=O)c2cncc3c2CCNC3)CC[NH2+]CC1 ZINC001220003144 979061053 /nfs/dbraw/zinc/06/10/53/979061053.db2.gz JAZKOQBUNVGZRM-UHFFFAOYSA-N 1 3 318.377 -0.248 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2 ZINC001220023359 979069610 /nfs/dbraw/zinc/06/96/10/979069610.db2.gz WCGVRVYTZLGURY-WPRPVWTQSA-N 1 3 320.422 -0.211 20 0 DBADHO C[NH2+]CCCCNC(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001220077838 979087792 /nfs/dbraw/zinc/08/77/92/979087792.db2.gz YDNHGCASAGOMTI-LBPRGKRZSA-N 1 3 322.413 -0.570 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)C2CC[NH2+]CC2)[C@@H](C)OC1 ZINC001220139353 979110089 /nfs/dbraw/zinc/11/00/89/979110089.db2.gz QSYWFKNOOLTIPB-SKDRFNHKSA-N 1 3 311.382 -0.335 20 0 DBADHO O=C(NCCC1CCS(=O)(=O)CC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220140915 979110963 /nfs/dbraw/zinc/11/09/63/979110963.db2.gz DBXOTTQOPLCCHZ-LBPRGKRZSA-N 1 3 315.439 -0.874 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@H](N)C2CC[NH2+]CC2)[C@H](C)OC1 ZINC001220139352 979111218 /nfs/dbraw/zinc/11/12/18/979111218.db2.gz QSYWFKNOOLTIPB-JOYOIKCWSA-N 1 3 311.382 -0.335 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC1CC(CO)(CO)C1 ZINC001220152083 979116663 /nfs/dbraw/zinc/11/66/63/979116663.db2.gz TVTGTPCRHNYBLP-ZDUSSCGKSA-N 1 3 301.431 -0.268 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159178 979119331 /nfs/dbraw/zinc/11/93/31/979119331.db2.gz NDJFRLPJKKZQDT-TYNCELHUSA-N 1 3 311.430 -0.199 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159175 979119733 /nfs/dbraw/zinc/11/97/33/979119733.db2.gz NDJFRLPJKKZQDT-LALPHHSUSA-N 1 3 311.430 -0.199 20 0 DBADHO COc1ccnc(C(=N)NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)n1 ZINC001220183263 979128341 /nfs/dbraw/zinc/12/83/41/979128341.db2.gz JWVXEGHFCSBJTI-SNVBAGLBSA-N 1 3 318.381 -0.199 20 0 DBADHO COc1ccnc(C(=N)NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001220183263 979128351 /nfs/dbraw/zinc/12/83/51/979128351.db2.gz JWVXEGHFCSBJTI-SNVBAGLBSA-N 1 3 318.381 -0.199 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220227431 979140640 /nfs/dbraw/zinc/14/06/40/979140640.db2.gz SXLDHFFXYGVFRQ-MCIONIFRSA-N 1 3 311.426 -0.474 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC2CCOCC2)C[C@@H]1O ZINC001220277371 979153876 /nfs/dbraw/zinc/15/38/76/979153876.db2.gz YBMXTKPZDMSSQW-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO O=C(NCCNC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccc(F)cc1 ZINC001220286448 979159204 /nfs/dbraw/zinc/15/92/04/979159204.db2.gz JASPYHSHXMLKFD-CYBMUJFWSA-N 1 3 320.368 -0.519 20 0 DBADHO CN(CC(=O)NCc1ncn2c1CNCCC2)[C@@H]1CCC[NH2+]C1 ZINC001220310940 979161690 /nfs/dbraw/zinc/16/16/90/979161690.db2.gz IJXRJONEIYVVJK-CYBMUJFWSA-N 1 3 320.441 -0.324 20 0 DBADHO O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@@H]1CNCc2ccnn2C1 ZINC001220315685 979164222 /nfs/dbraw/zinc/16/42/22/979164222.db2.gz HAFGVXYXJCCRSA-WWGRRREGSA-N 1 3 319.409 -0.370 20 0 DBADHO COc1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)nn1 ZINC001220343360 979177108 /nfs/dbraw/zinc/17/71/08/979177108.db2.gz KXGZSQWLJHHLPG-GFCCVEGCSA-N 1 3 305.382 -0.024 20 0 DBADHO COc1ccc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)nn1 ZINC001220343360 979177115 /nfs/dbraw/zinc/17/71/15/979177115.db2.gz KXGZSQWLJHHLPG-GFCCVEGCSA-N 1 3 305.382 -0.024 20 0 DBADHO NCc1ccc2c(n1)N(C(=O)[C@@H]1C[C@H]3C[NH2+]C[C@H]3N1)CCC2 ZINC001220377140 979180015 /nfs/dbraw/zinc/18/00/15/979180015.db2.gz KYADUWMFLITIJD-FPMFFAJLSA-N 1 3 301.394 -0.231 20 0 DBADHO COC(=O)C[C@H](NC(=O)[C@H](N)CCC[NH3+])C(=O)OC(C)(C)C ZINC001220378461 979180866 /nfs/dbraw/zinc/18/08/66/979180866.db2.gz AIXAKNJJGYKCJB-ZJUUUORDSA-N 1 3 317.386 -0.558 20 0 DBADHO N[C@@H](C(=O)N[C@H]1c2ccccc2CNC1=O)C1CC[NH2+]CC1 ZINC001220403343 979192225 /nfs/dbraw/zinc/19/22/25/979192225.db2.gz OJEJBZMHDDKMRW-KGLIPLIRSA-N 1 3 302.378 -0.199 20 0 DBADHO CSc1nc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cc(=O)n1C ZINC001220435699 979200073 /nfs/dbraw/zinc/20/00/73/979200073.db2.gz LRPSOIMNHGJBFW-LLVKDONJSA-N 1 3 311.411 -0.232 20 0 DBADHO COCCOc1ccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)cn1 ZINC001220458484 979206493 /nfs/dbraw/zinc/20/64/93/979206493.db2.gz SSOJMAYTWQZHPQ-CYBMUJFWSA-N 1 3 320.393 -0.468 20 0 DBADHO CN(CC[NH3+])CCNC(=O)[C@@H](N)CCOCc1ccccc1 ZINC001220517612 979220716 /nfs/dbraw/zinc/22/07/16/979220716.db2.gz STBONBBVULASEH-HNNXBMFYSA-N 1 3 308.426 -0.073 20 0 DBADHO COC(=O)[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(F)(F)F ZINC001220588583 979243010 /nfs/dbraw/zinc/24/30/10/979243010.db2.gz VFKRXIZAYMOWLN-SOCHQFKDSA-N 1 3 309.288 -0.594 20 0 DBADHO O=C(N[C@@H]1NC(=O)c2ccccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220619003 979248788 /nfs/dbraw/zinc/24/87/88/979248788.db2.gz BZPHZVIVQISFGA-AKWBHNSASA-N 1 3 300.362 -0.256 20 0 DBADHO CCOCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755163 979276442 /nfs/dbraw/zinc/27/64/42/979276442.db2.gz FLCIPATURJCTIF-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO CCOCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755163 979276455 /nfs/dbraw/zinc/27/64/55/979276455.db2.gz FLCIPATURJCTIF-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790089 979285597 /nfs/dbraw/zinc/28/55/97/979285597.db2.gz OLFNUMNLFPZGJX-CDGCEXEKSA-N 1 3 319.409 -0.300 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799488 979287962 /nfs/dbraw/zinc/28/79/62/979287962.db2.gz BPDQAPKGNUTWNX-AEJSXWLSSA-N 1 3 305.304 -0.064 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220800270 979290304 /nfs/dbraw/zinc/29/03/04/979290304.db2.gz OALVVHICAYUFHA-HRDYMLBCSA-N 1 3 311.304 -0.077 20 0 DBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220857772 979309708 /nfs/dbraw/zinc/30/97/08/979309708.db2.gz RBMSWOWMRATETM-ZJUUUORDSA-N 1 3 303.428 -0.747 20 0 DBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001220882053 979314817 /nfs/dbraw/zinc/31/48/17/979314817.db2.gz RJIDJLIKZDTGDM-RYUDHWBXSA-N 1 3 320.397 -0.818 20 0 DBADHO O=C(CNC(=O)[C@@H]1CC[NH2+]1)N1CCN(C2CCCCC2)CC1 ZINC001220898483 979319364 /nfs/dbraw/zinc/31/93/64/979319364.db2.gz LLDMCTIOJCPMFW-AWEZNQCLSA-N 1 3 308.426 -0.059 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001220921037 979326402 /nfs/dbraw/zinc/32/64/02/979326402.db2.gz XHEYEXBGSNBNRA-CHWSQXEVSA-N 1 3 305.382 -0.522 20 0 DBADHO [NH3+][C@H]1CC[C@H](N(C(=O)[C@H]2CNCCN2)c2ccncn2)CC1 ZINC001220941568 979333011 /nfs/dbraw/zinc/33/30/11/979333011.db2.gz UFYZYTPMZTUCFJ-JHJVBQTASA-N 1 3 304.398 -0.359 20 0 DBADHO C[C@@H]([NH3+])C(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001220969273 979337390 /nfs/dbraw/zinc/33/73/90/979337390.db2.gz VORJFLQAHKBPGN-GFCCVEGCSA-N 1 3 304.394 -0.030 20 0 DBADHO O=C(N[C@H]1CC[C@H](N2CCOCC2)CC1)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001221056652 979355716 /nfs/dbraw/zinc/35/57/16/979355716.db2.gz XBPIQUHLURQWHO-QBYUYEEZSA-N 1 3 322.453 -0.303 20 0 DBADHO CC(=O)OCN1CCC(NC(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001221258312 979388992 /nfs/dbraw/zinc/38/89/92/979388992.db2.gz DXDKHRAUHFIVGH-AWEZNQCLSA-N 1 3 312.414 -0.586 20 0 DBADHO O=C(NCc1ccc2c(c1)CC(=O)N2)[C@@H]1C[NH2+]CC12CNC2 ZINC001221298163 979398309 /nfs/dbraw/zinc/39/83/09/979398309.db2.gz DZBAAZMMXRSDDV-LBPRGKRZSA-N 1 3 300.362 -0.394 20 0 DBADHO O=C(NCc1ccc(-n2ccnn2)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221336480 979405731 /nfs/dbraw/zinc/40/57/31/979405731.db2.gz FZXZHMHWZSYMLV-AWEZNQCLSA-N 1 3 312.377 -0.308 20 0 DBADHO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001221339357 979409130 /nfs/dbraw/zinc/40/91/30/979409130.db2.gz HPHSHKXJETVPBC-ZIAGYGMSSA-N 1 3 320.393 -0.391 20 0 DBADHO NC(=O)CC[C@H]([NH3+])CC(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221390201 979412531 /nfs/dbraw/zinc/41/25/31/979412531.db2.gz BJTWKDNKZBDBKP-LBPRGKRZSA-N 1 3 321.425 -0.462 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC1(CO)CC[NH+](C)CC1 ZINC001221403263 979413092 /nfs/dbraw/zinc/41/30/92/979413092.db2.gz AOXIXKBHCYQSIX-AAEUAGOBSA-N 1 3 314.430 -0.951 20 0 DBADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H]2COC3(CNC3)CN2)c1 ZINC001221403274 979414569 /nfs/dbraw/zinc/41/45/69/979414569.db2.gz AVJDMHGIYWMQOU-UONOGXRCSA-N 1 3 320.393 -0.858 20 0 DBADHO NC(=O)CC[C@H]([NH3+])CC(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221398347 979415125 /nfs/dbraw/zinc/41/51/25/979415125.db2.gz YFCAMSYDAWEADN-KBPBESRZSA-N 1 3 304.394 -0.200 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001221397146 979416125 /nfs/dbraw/zinc/41/61/25/979416125.db2.gz GGRPMKHNJRPARL-ZFWWWQNUSA-N 1 3 314.389 -0.705 20 0 DBADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CCCNC(N)=O)[C@H](C)C1 ZINC001221409263 979416927 /nfs/dbraw/zinc/41/69/27/979416927.db2.gz SXXHDEQAYMHXMB-JHJVBQTASA-N 1 3 313.446 -0.003 20 0 DBADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)CCCNC(N)=O)[C@H](C)C1 ZINC001221409263 979416932 /nfs/dbraw/zinc/41/69/32/979416932.db2.gz SXXHDEQAYMHXMB-JHJVBQTASA-N 1 3 313.446 -0.003 20 0 DBADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)[C@H](C)C1 ZINC001221408825 979417881 /nfs/dbraw/zinc/41/78/81/979417881.db2.gz RSGJGJFBWBIZLL-HZSPNIEDSA-N 1 3 310.442 -0.448 20 0 DBADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]2COC3(CNC3)CN2)[C@H](C)C1 ZINC001221408825 979417889 /nfs/dbraw/zinc/41/78/89/979417889.db2.gz RSGJGJFBWBIZLL-HZSPNIEDSA-N 1 3 310.442 -0.448 20 0 DBADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H](N)CCCNC(N)=O)[C@@H](C)C1 ZINC001221409273 979418083 /nfs/dbraw/zinc/41/80/83/979418083.db2.gz SXXHDEQAYMHXMB-YNEHKIRRSA-N 1 3 313.446 -0.003 20 0 DBADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H](N)CCCNC(N)=O)[C@@H](C)C1 ZINC001221409273 979418088 /nfs/dbraw/zinc/41/80/88/979418088.db2.gz SXXHDEQAYMHXMB-YNEHKIRRSA-N 1 3 313.446 -0.003 20 0 DBADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](C)N)c1 ZINC001221404558 979418330 /nfs/dbraw/zinc/41/83/30/979418330.db2.gz NQFCFXPNMXZULD-KWBADKCTSA-N 1 3 308.382 -0.337 20 0 DBADHO CCOC(=O)[C@H]1CC2(CN1C[C@@H]1COCCN1)CC[NH2+]CC2 ZINC001222216166 979502791 /nfs/dbraw/zinc/50/27/91/979502791.db2.gz YJQKWTTVXQQXNQ-ZIAGYGMSSA-N 1 3 311.426 -0.018 20 0 DBADHO CC1(C)O[C@@H]2O[C@@H](CN3CCC(F)(C[NH3+])CC3)[C@@H](O)[C@@H]2O1 ZINC001222527220 979517706 /nfs/dbraw/zinc/51/77/06/979517706.db2.gz JZKMBBDVVACVGG-USZNOCQGSA-N 1 3 304.362 -0.014 20 0 DBADHO CCOCC[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001325158075 979707632 /nfs/dbraw/zinc/70/76/32/979707632.db2.gz AEZKMRLLVMKHGI-HNNXBMFYSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCC[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001325158075 979707648 /nfs/dbraw/zinc/70/76/48/979707648.db2.gz AEZKMRLLVMKHGI-HNNXBMFYSA-N 1 3 301.431 -0.084 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCOCCO)C1 ZINC001326224138 979731714 /nfs/dbraw/zinc/73/17/14/979731714.db2.gz LKGSJZCMKLYTMO-LSDHHAIUSA-N 1 3 313.442 -0.082 20 0 DBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC001331169095 979863001 /nfs/dbraw/zinc/86/30/01/979863001.db2.gz NIYOOJVIQGCPOV-XDQVBPFNSA-N 1 3 308.426 -0.027 20 0 DBADHO CC(C)OCCN[C@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331713078 979893533 /nfs/dbraw/zinc/89/35/33/979893533.db2.gz VZVYJKYTMZKTKE-GJZGRUSLSA-N 1 3 313.442 -0.180 20 0 DBADHO CO[C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001344757392 980008093 /nfs/dbraw/zinc/00/80/93/980008093.db2.gz OXVSHGWWJSORQC-CYBMUJFWSA-N 1 3 314.430 -0.815 20 0 DBADHO CN1CCN(C(=O)CCN2CCN([C@@H]3CC[NH2+]C3)CC2)CC1 ZINC001346017291 980108699 /nfs/dbraw/zinc/10/86/99/980108699.db2.gz MGMGAXIFGIEXLQ-OAHLLOKOSA-N 1 3 309.458 -0.870 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001347087152 980197309 /nfs/dbraw/zinc/19/73/09/980197309.db2.gz ULZCLHMDTMRUAT-ZIAGYGMSSA-N 1 3 324.425 -0.824 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001350069227 980536963 /nfs/dbraw/zinc/53/69/63/980536963.db2.gz JESNHGOZAZQCLG-LBPRGKRZSA-N 1 3 307.398 -0.165 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001350069227 980536970 /nfs/dbraw/zinc/53/69/70/980536970.db2.gz JESNHGOZAZQCLG-LBPRGKRZSA-N 1 3 307.398 -0.165 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001353526910 980808187 /nfs/dbraw/zinc/80/81/87/980808187.db2.gz QASNNDWBFZAPOX-CBBWQLFWSA-N 1 3 322.453 -0.099 20 0 DBADHO CN(C)CCn1nccc1C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC001363372015 982367746 /nfs/dbraw/zinc/36/77/46/982367746.db2.gz VTYLCZQWCYYMMJ-UONOGXRCSA-N 1 3 321.425 -0.274 20 0 DBADHO CN(C)CCn1nccc1C(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC001363372015 982367756 /nfs/dbraw/zinc/36/77/56/982367756.db2.gz VTYLCZQWCYYMMJ-UONOGXRCSA-N 1 3 321.425 -0.274 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)n1 ZINC001363678160 982568280 /nfs/dbraw/zinc/56/82/80/982568280.db2.gz MZMRFXCDNYEGPW-LBPRGKRZSA-N 1 3 307.398 -0.352 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nc(N)n[nH]1 ZINC001365427534 983378347 /nfs/dbraw/zinc/37/83/47/983378347.db2.gz UBLLXIIGNZEZRK-JTQLQIEISA-N 1 3 312.422 -0.542 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nc(N)n[nH]1 ZINC001365427534 983378352 /nfs/dbraw/zinc/37/83/52/983378352.db2.gz UBLLXIIGNZEZRK-JTQLQIEISA-N 1 3 312.422 -0.542 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366203147 983738819 /nfs/dbraw/zinc/73/88/19/983738819.db2.gz MTHVKWDFBFCYBV-GXTWGEPZSA-N 1 3 310.398 -0.212 20 0 DBADHO O=C(NCCCN1CCN(CCO)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001490465718 1014976285 /nfs/dbraw/zinc/97/62/85/1014976285.db2.gz ANQGITVRTFIDLJ-MRXNPFEDSA-N 1 3 324.469 -0.556 20 0 DBADHO COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001366706875 983931224 /nfs/dbraw/zinc/93/12/24/983931224.db2.gz XXXNMRQNIZXUSW-UONOGXRCSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001366706875 983931239 /nfs/dbraw/zinc/93/12/39/983931239.db2.gz XXXNMRQNIZXUSW-UONOGXRCSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CC1CCN(C(=O)CC[NH+](C)C)CC1)[C@@H]1CCNC1=O ZINC001366885780 984038935 /nfs/dbraw/zinc/03/89/35/984038935.db2.gz YGHVYNOYBMORBV-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366899386 984049202 /nfs/dbraw/zinc/04/92/02/984049202.db2.gz XMMTWHXAVOLHBF-KGLIPLIRSA-N 1 3 311.426 -0.330 20 0 DBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366913582 984057061 /nfs/dbraw/zinc/05/70/61/984057061.db2.gz XMMTWHXAVOLHBF-KBPBESRZSA-N 1 3 311.426 -0.330 20 0 DBADHO COC[C@H](O)CN1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001367062250 984175461 /nfs/dbraw/zinc/17/54/61/984175461.db2.gz VNINKBISPIABGQ-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@H](O)CN1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001367062252 984176181 /nfs/dbraw/zinc/17/61/81/984176181.db2.gz VNINKBISPIABGQ-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CNC(=O)CNC[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001367200286 984213284 /nfs/dbraw/zinc/21/32/84/984213284.db2.gz SOGRFBAVVOWNLU-BLLLJJGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001367200286 984213290 /nfs/dbraw/zinc/21/32/90/984213290.db2.gz SOGRFBAVVOWNLU-BLLLJJGKSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NC[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001367393713 984297068 /nfs/dbraw/zinc/29/70/68/984297068.db2.gz RMPBJVYZWILCLV-NWDGAFQWSA-N 1 3 324.429 -0.631 20 0 DBADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367393712 984298432 /nfs/dbraw/zinc/29/84/32/984298432.db2.gz RMPBJVYZWILCLV-NEPJUHHUSA-N 1 3 324.429 -0.631 20 0 DBADHO C[C@@H](CN[C@@H](C)C(N)=O)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001367402424 984299665 /nfs/dbraw/zinc/29/96/65/984299665.db2.gz XYBNMWHCHKEOOH-RYUDHWBXSA-N 1 3 314.430 -0.593 20 0 DBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001367533829 984338555 /nfs/dbraw/zinc/33/85/55/984338555.db2.gz LDUJDKFYJAMDKJ-AWEZNQCLSA-N 1 3 301.431 -0.274 20 0 DBADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001367558413 984350655 /nfs/dbraw/zinc/35/06/55/984350655.db2.gz ZDYAYKKKDNNBNI-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001367577413 984370818 /nfs/dbraw/zinc/37/08/18/984370818.db2.gz FWLHHXVRZCITFP-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001367577413 984370833 /nfs/dbraw/zinc/37/08/33/984370833.db2.gz FWLHHXVRZCITFP-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CCCN1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001367577413 984370846 /nfs/dbraw/zinc/37/08/46/984370846.db2.gz FWLHHXVRZCITFP-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[C@@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001367598775 984418222 /nfs/dbraw/zinc/41/82/22/984418222.db2.gz BIILMYCDSGIBOF-NWDGAFQWSA-N 1 3 314.430 -0.809 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCN1C(C)C ZINC001367673583 984528296 /nfs/dbraw/zinc/52/82/96/984528296.db2.gz UFZVUIUEBSGLLJ-MCIONIFRSA-N 1 3 301.431 -0.039 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001367673585 984529280 /nfs/dbraw/zinc/52/92/80/984529280.db2.gz UFZVUIUEBSGLLJ-MGPQQGTHSA-N 1 3 301.431 -0.039 20 0 DBADHO CNC(=O)NC(=O)CNC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001367677270 984530574 /nfs/dbraw/zinc/53/05/74/984530574.db2.gz PKLWDGVDGHAUEO-PWSUYJOCSA-N 1 3 315.418 -0.878 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)N(C)C ZINC001367698906 984545816 /nfs/dbraw/zinc/54/58/16/984545816.db2.gz NKZVLWMNKNCDFQ-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](CNCC(=O)NC1CCOCC1)NC(=O)CC[NH+](C)C ZINC001367753072 984593927 /nfs/dbraw/zinc/59/39/27/984593927.db2.gz MCTAUPQELGGGCO-LBPRGKRZSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(=O)N(C)C)C2CC2)CC[N@@H+]1C ZINC001367889505 984763225 /nfs/dbraw/zinc/76/32/25/984763225.db2.gz UKUAUJSBRNCRIZ-MRVWCRGKSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H](CNCC(=O)N(C)C)C2CC2)CC[N@H+]1C ZINC001367889505 984763239 /nfs/dbraw/zinc/76/32/39/984763239.db2.gz UKUAUJSBRNCRIZ-MRVWCRGKSA-N 1 3 310.442 -0.101 20 0 DBADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001368114753 984877898 /nfs/dbraw/zinc/87/78/98/984877898.db2.gz IVJWJWIYMVNVBO-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CNC[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001368114753 984877900 /nfs/dbraw/zinc/87/79/00/984877900.db2.gz IVJWJWIYMVNVBO-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CC(=O)NC[C@@H]([NH2+][C@@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001490673984 1015079222 /nfs/dbraw/zinc/07/92/22/1015079222.db2.gz OBHXINJSWIEGOU-ZIAGYGMSSA-N 1 3 308.426 -0.156 20 0 DBADHO COC[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001368276770 985024153 /nfs/dbraw/zinc/02/41/53/985024153.db2.gz PAAFJNWRYSDCLW-DZGCQCFKSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001368276770 985024166 /nfs/dbraw/zinc/02/41/66/985024166.db2.gz PAAFJNWRYSDCLW-DZGCQCFKSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2C1)N(C)C ZINC001368362058 985116456 /nfs/dbraw/zinc/11/64/56/985116456.db2.gz FERHMPJIXWJZHR-LXTVHRRPSA-N 1 3 313.442 -0.276 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2C1)N(C)C ZINC001368362058 985116462 /nfs/dbraw/zinc/11/64/62/985116462.db2.gz FERHMPJIXWJZHR-LXTVHRRPSA-N 1 3 313.442 -0.276 20 0 DBADHO COC[C@@H](C)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001368376331 985132730 /nfs/dbraw/zinc/13/27/30/985132730.db2.gz NUNFCCZQANPMMW-UKRRQHHQSA-N 1 3 301.431 -0.084 20 0 DBADHO COC[C@@H](C)N1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001368376326 985133855 /nfs/dbraw/zinc/13/38/55/985133855.db2.gz NUNFCCZQANPMMW-HIFRSBDPSA-N 1 3 301.431 -0.084 20 0 DBADHO Cn1cncc1CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001368504900 985231020 /nfs/dbraw/zinc/23/10/20/985231020.db2.gz LHUCUJXZINESNM-CQSZACIVSA-N 1 3 309.414 -0.311 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCC[N@H+](C)CC(N)=O ZINC001368563943 985276778 /nfs/dbraw/zinc/27/67/78/985276778.db2.gz ISBIPVAEGOBXLI-CYBMUJFWSA-N 1 3 314.430 -0.780 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001368563943 985276793 /nfs/dbraw/zinc/27/67/93/985276793.db2.gz ISBIPVAEGOBXLI-CYBMUJFWSA-N 1 3 314.430 -0.780 20 0 DBADHO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCCN(C)CC(N)=O ZINC001368563943 985276805 /nfs/dbraw/zinc/27/68/05/985276805.db2.gz ISBIPVAEGOBXLI-CYBMUJFWSA-N 1 3 314.430 -0.780 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCCS(C)(=O)=O ZINC001368663344 985336959 /nfs/dbraw/zinc/33/69/59/985336959.db2.gz ZIEAOSBGNPASSB-NWDGAFQWSA-N 1 3 305.444 -0.581 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001490852604 1015132100 /nfs/dbraw/zinc/13/21/00/1015132100.db2.gz MKXBYLJELLMHMF-GJZGRUSLSA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@@H](NCC(=O)NC1CC1)[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001368896218 985548496 /nfs/dbraw/zinc/54/84/96/985548496.db2.gz LCANCZXOPAYKAF-VXGBXAGGSA-N 1 3 308.426 -0.156 20 0 DBADHO COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001369078372 985705540 /nfs/dbraw/zinc/70/55/40/985705540.db2.gz BOIKQSVPAVQLGW-DOMZBBRYSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@@H](O)C[NH+]1CC([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001369097045 985717078 /nfs/dbraw/zinc/71/70/78/985717078.db2.gz PCSVQPZEFHASGD-JSGCOSHPSA-N 1 3 301.431 -0.230 20 0 DBADHO COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001369097035 985717906 /nfs/dbraw/zinc/71/79/06/985717906.db2.gz PCSVQPZEFHASGD-GXTWGEPZSA-N 1 3 301.431 -0.230 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001369143889 985766154 /nfs/dbraw/zinc/76/61/54/985766154.db2.gz CVJGQBJZFWXCPF-QKDCVEJESA-N 1 3 320.441 -0.088 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001369143889 985766168 /nfs/dbraw/zinc/76/61/68/985766168.db2.gz CVJGQBJZFWXCPF-QKDCVEJESA-N 1 3 320.441 -0.088 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001369162859 985784148 /nfs/dbraw/zinc/78/41/48/985784148.db2.gz SDRMPSVPCGMRTI-NWDGAFQWSA-N 1 3 300.403 -0.983 20 0 DBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001369280362 985840294 /nfs/dbraw/zinc/84/02/94/985840294.db2.gz DOKXIDRWZFLHMC-NWDGAFQWSA-N 1 3 314.430 -0.593 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001369340244 985924296 /nfs/dbraw/zinc/92/42/96/985924296.db2.gz PLGZIFZNWSMOMW-CABCVRRESA-N 1 3 323.441 -0.177 20 0 DBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001369465454 986131758 /nfs/dbraw/zinc/13/17/58/986131758.db2.gz GRENFRIEQYGPEJ-CHWSQXEVSA-N 1 3 314.430 -0.986 20 0 DBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001369465454 986131776 /nfs/dbraw/zinc/13/17/76/986131776.db2.gz GRENFRIEQYGPEJ-CHWSQXEVSA-N 1 3 314.430 -0.986 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC(=O)NC ZINC001369492580 986227295 /nfs/dbraw/zinc/22/72/95/986227295.db2.gz WFASFPYMBCDOTK-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515747 986262821 /nfs/dbraw/zinc/26/28/21/986262821.db2.gz ZDJFMXBGPHJALD-CYBMUJFWSA-N 1 3 301.431 -0.132 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515747 986262832 /nfs/dbraw/zinc/26/28/32/986262832.db2.gz ZDJFMXBGPHJALD-CYBMUJFWSA-N 1 3 301.431 -0.132 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H]([NH2+][C@@H]2CCNC2=O)C2CC2)CCC1 ZINC001370166200 986627614 /nfs/dbraw/zinc/62/76/14/986627614.db2.gz JQKRZRWZAOXMKJ-CHWSQXEVSA-N 1 3 308.426 -0.156 20 0 DBADHO CN(C)C(=O)CN[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001370210663 986647961 /nfs/dbraw/zinc/64/79/61/986647961.db2.gz DLQUGYULTCDMDB-ZDUSSCGKSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1)N(C)C ZINC001370713098 986918342 /nfs/dbraw/zinc/91/83/42/986918342.db2.gz NRWFCQLISZEQQJ-OUAUKWLOSA-N 1 3 313.402 -0.981 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001371187347 987267061 /nfs/dbraw/zinc/26/70/61/987267061.db2.gz MFFSBZRQFKNJIF-OUCADQQQSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001371187347 987267065 /nfs/dbraw/zinc/26/70/65/987267065.db2.gz MFFSBZRQFKNJIF-OUCADQQQSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C1CC1 ZINC001371435507 987347852 /nfs/dbraw/zinc/34/78/52/987347852.db2.gz YVQPENBGMNMIAT-LBPRGKRZSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001371514623 987388787 /nfs/dbraw/zinc/38/87/87/987388787.db2.gz WMAQCRDSHHQBJJ-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001371514623 987388792 /nfs/dbraw/zinc/38/87/92/987388792.db2.gz WMAQCRDSHHQBJJ-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001371592719 987435487 /nfs/dbraw/zinc/43/54/87/987435487.db2.gz ZEZKCWQBEJCEKQ-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO CC(C)N(C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001371979677 987583777 /nfs/dbraw/zinc/58/37/77/987583777.db2.gz HBIVKXRXRQEJNU-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N(C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001371979677 987583794 /nfs/dbraw/zinc/58/37/94/987583794.db2.gz HBIVKXRXRQEJNU-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001372023749 987615291 /nfs/dbraw/zinc/61/52/91/987615291.db2.gz QKMPGYOYTUEEJV-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001372023749 987615299 /nfs/dbraw/zinc/61/52/99/987615299.db2.gz QKMPGYOYTUEEJV-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001372622726 987830210 /nfs/dbraw/zinc/83/02/10/987830210.db2.gz DUCMKVUCJMPGDJ-DZGCQCFKSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001372622726 987830215 /nfs/dbraw/zinc/83/02/15/987830215.db2.gz DUCMKVUCJMPGDJ-DZGCQCFKSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001373295339 988210289 /nfs/dbraw/zinc/21/02/89/988210289.db2.gz UYEGNVOCOICUCP-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001373295339 988210310 /nfs/dbraw/zinc/21/03/10/988210310.db2.gz UYEGNVOCOICUCP-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO CN(C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001373294882 988210790 /nfs/dbraw/zinc/21/07/90/988210790.db2.gz SHVRVJJWSYKURV-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)C[N@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373301567 988213126 /nfs/dbraw/zinc/21/31/26/988213126.db2.gz QEAYCEZLIOFNOX-TZMCWYRMSA-N 1 3 310.398 -0.260 20 0 DBADHO COC[C@H](O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001373301567 988213135 /nfs/dbraw/zinc/21/31/35/988213135.db2.gz QEAYCEZLIOFNOX-TZMCWYRMSA-N 1 3 310.398 -0.260 20 0 DBADHO CN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)[C@H]1CCCN1C ZINC001373466048 988377475 /nfs/dbraw/zinc/37/74/75/988377475.db2.gz XROWXFZCFINRHD-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2CNCC(N)=O)n1 ZINC001373960695 988692914 /nfs/dbraw/zinc/69/29/14/988692914.db2.gz LFLBDFHMLKTQOI-GFCCVEGCSA-N 1 3 322.413 -0.876 20 0 DBADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)CN(C)C1CCC1 ZINC001374230866 988828473 /nfs/dbraw/zinc/82/84/73/988828473.db2.gz CMWVUOJHTSAJKZ-SNVBAGLBSA-N 1 3 313.402 -0.898 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001374640922 989071472 /nfs/dbraw/zinc/07/14/72/989071472.db2.gz HYJOYZHWFAZVRB-OAHLLOKOSA-N 1 3 323.441 -0.363 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCc1cncn1C)[NH+](C)C ZINC001374645824 989077473 /nfs/dbraw/zinc/07/74/73/989077473.db2.gz JWUZDIQUZJGSPO-UONOGXRCSA-N 1 3 311.430 -0.427 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@H](O)CN[C@H](C)C(N)=O)CC1 ZINC001374662783 989108827 /nfs/dbraw/zinc/10/88/27/989108827.db2.gz PUTTXHLBDRRXNW-DGCLKSJQSA-N 1 3 314.430 -0.953 20 0 DBADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374672591 989122988 /nfs/dbraw/zinc/12/29/88/989122988.db2.gz FXMRDWNWRKAMQJ-DZGCQCFKSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1ccncc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374672591 989122993 /nfs/dbraw/zinc/12/29/93/989122993.db2.gz FXMRDWNWRKAMQJ-DZGCQCFKSA-N 1 3 306.410 -0.092 20 0 DBADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)NCC(=O)NC(N)=O ZINC001491486817 1015449584 /nfs/dbraw/zinc/44/95/84/1015449584.db2.gz PRYMWJWNSMGVQY-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)NCC(=O)NC(N)=O ZINC001491486817 1015449590 /nfs/dbraw/zinc/44/95/90/1015449590.db2.gz PRYMWJWNSMGVQY-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC001374720119 989168749 /nfs/dbraw/zinc/16/87/49/989168749.db2.gz WZONUIQDUZIDAN-BNOWGMLFSA-N 1 3 310.442 -0.006 20 0 DBADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001374720119 989168751 /nfs/dbraw/zinc/16/87/51/989168751.db2.gz WZONUIQDUZIDAN-BNOWGMLFSA-N 1 3 310.442 -0.006 20 0 DBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001374906083 989305144 /nfs/dbraw/zinc/30/51/44/989305144.db2.gz NVZVIJUXDMTQPK-RWMBFGLXSA-N 1 3 319.471 -0.144 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001375272673 989520813 /nfs/dbraw/zinc/52/08/13/989520813.db2.gz MWAYAQJTSBCWMN-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001375272673 989520821 /nfs/dbraw/zinc/52/08/21/989520821.db2.gz MWAYAQJTSBCWMN-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO CCO[C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001375588917 989675255 /nfs/dbraw/zinc/67/52/55/989675255.db2.gz LFDKNFALCXNEFE-CHWSQXEVSA-N 1 3 314.430 -0.735 20 0 DBADHO CC(C)N(C)CC(=O)NCC1([NH2+]C[C@@H](C)O)CCOCC1 ZINC001375980363 989834245 /nfs/dbraw/zinc/83/42/45/989834245.db2.gz AXCCMSUAXAYJOH-CYBMUJFWSA-N 1 3 301.431 -0.038 20 0 DBADHO CC(C)[C@H](C(=O)NCC1(NCC(N)=O)CCOCC1)[NH+](C)C ZINC001375986283 989834916 /nfs/dbraw/zinc/83/49/16/989834916.db2.gz ZPEMCANQNBXSMC-CYBMUJFWSA-N 1 3 314.430 -0.687 20 0 DBADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001491623908 1015525778 /nfs/dbraw/zinc/52/57/78/1015525778.db2.gz BLKPLFNTFHPZQN-QWRGUYRKSA-N 1 3 300.403 -0.935 20 0 DBADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001376849250 990349886 /nfs/dbraw/zinc/34/98/86/990349886.db2.gz YQJVCAJVQWPIBX-MGPQQGTHSA-N 1 3 317.430 -0.849 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)C1 ZINC001376902252 990375725 /nfs/dbraw/zinc/37/57/25/990375725.db2.gz KZOHTKKKOSHHMQ-RYUDHWBXSA-N 1 3 302.394 -0.397 20 0 DBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001377105647 990442892 /nfs/dbraw/zinc/44/28/92/990442892.db2.gz SCLSFTBTTKSBOW-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCCS(C)(=O)=O)C1 ZINC001377290380 990519361 /nfs/dbraw/zinc/51/93/61/990519361.db2.gz WXWYCUNBBCPNHR-OLZOCXBDSA-N 1 3 319.471 -0.191 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCCS(C)(=O)=O)C1 ZINC001377290380 990519367 /nfs/dbraw/zinc/51/93/67/990519367.db2.gz WXWYCUNBBCPNHR-OLZOCXBDSA-N 1 3 319.471 -0.191 20 0 DBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377572963 990661145 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DBADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCCCO1)C(=O)Cc1c[nH]cn1 ZINC001379838306 991951850 /nfs/dbraw/zinc/95/18/50/991951850.db2.gz HKOKYVSJULXPMS-KGLIPLIRSA-N 1 3 310.398 -0.070 20 0 DBADHO COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H](C)O ZINC001380118028 992157459 /nfs/dbraw/zinc/15/74/59/992157459.db2.gz UXWGVYUXHXIHPP-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H](C)O ZINC001380118028 992157465 /nfs/dbraw/zinc/15/74/65/992157465.db2.gz UXWGVYUXHXIHPP-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001380288953 992236889 /nfs/dbraw/zinc/23/68/89/992236889.db2.gz ZVBOKPAOLDCCPX-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO CCC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001549049285 1015699358 /nfs/dbraw/zinc/69/93/58/1015699358.db2.gz JUSMQDDQEKLOGS-BFHYXJOUSA-N 1 3 323.441 -0.140 20 0 DBADHO C[C@H](NCCN(CCO)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001380766498 992529306 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CC[C@H](C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001381343190 992766089 /nfs/dbraw/zinc/76/60/89/992766089.db2.gz WTFFCELTXYWFAV-VQXHTEKXSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001382147148 993007702 /nfs/dbraw/zinc/00/77/02/993007702.db2.gz CFZPKGMXIYEZMA-QWHCGFSZSA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001382147148 993007710 /nfs/dbraw/zinc/00/77/10/993007710.db2.gz CFZPKGMXIYEZMA-QWHCGFSZSA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001382157562 993011298 /nfs/dbraw/zinc/01/12/98/993011298.db2.gz SYMJBECPEJBCDF-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001382157562 993011304 /nfs/dbraw/zinc/01/13/04/993011304.db2.gz SYMJBECPEJBCDF-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001382277831 993117945 /nfs/dbraw/zinc/11/79/45/993117945.db2.gz AKUQQDNWXCMETB-AWEZNQCLSA-N 1 3 324.425 -0.708 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@H]1C ZINC001382314444 993144469 /nfs/dbraw/zinc/14/44/69/993144469.db2.gz KWMHPZQFBXNLOP-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001382314542 993145721 /nfs/dbraw/zinc/14/57/21/993145721.db2.gz KWMHPZQFBXNLOP-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@H](c3cn(C)cn3)C2)CCCCN1 ZINC001549738726 1015765591 /nfs/dbraw/zinc/76/55/91/1015765591.db2.gz RRCFKMDTEXZXPU-WWGRRREGSA-N 1 3 321.425 -0.168 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnn(C)c2)C1 ZINC001382423024 993237149 /nfs/dbraw/zinc/23/71/49/993237149.db2.gz INHIBJNKUSHRFN-ZFWWWQNUSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](CO)NC(=O)CC[NH+](C)C)CCC1 ZINC001382479960 993313143 /nfs/dbraw/zinc/31/31/43/993313143.db2.gz LCKSBIUMSBIANV-GFCCVEGCSA-N 1 3 314.430 -0.984 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)C2)nn1 ZINC001550096264 1015791395 /nfs/dbraw/zinc/79/13/95/1015791395.db2.gz ILHUEOBLKZEAAI-GHMZBOCLSA-N 1 3 314.340 -0.245 20 0 DBADHO COC[C@@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC001550097089 1015791526 /nfs/dbraw/zinc/79/15/26/1015791526.db2.gz YLOAWOXNDDCTFB-TZMCWYRMSA-N 1 3 308.386 -0.721 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550096035 1015791602 /nfs/dbraw/zinc/79/16/02/1015791602.db2.gz UDMTUCDVQRIMBZ-OBJOEFQTSA-N 1 3 308.386 -0.723 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)nn1 ZINC001550096265 1015792132 /nfs/dbraw/zinc/79/21/32/1015792132.db2.gz ILHUEOBLKZEAAI-MNOVXSKESA-N 1 3 314.340 -0.245 20 0 DBADHO Cn1ncc(CN)c1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001550113288 1015792878 /nfs/dbraw/zinc/79/28/78/1015792878.db2.gz HIVSEMSQUAJOHT-GFCCVEGCSA-N 1 3 307.398 -0.233 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1Cc2ccccc2CN1 ZINC001550114952 1015795067 /nfs/dbraw/zinc/79/50/67/1015795067.db2.gz JVDGYYYKEFUORD-CABCVRRESA-N 1 3 316.405 -0.315 20 0 DBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC001550275294 1015801209 /nfs/dbraw/zinc/80/12/09/1015801209.db2.gz CZSANEXBBVMDDE-AVGNSLFASA-N 1 3 323.441 -0.282 20 0 DBADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001550277740 1015801228 /nfs/dbraw/zinc/80/12/28/1015801228.db2.gz OJVAVPXGSWXRMT-ARQSVGKCSA-N 1 3 308.426 -0.023 20 0 DBADHO CN1CCN([C@@H]2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)C2)CC1 ZINC001550415518 1015805692 /nfs/dbraw/zinc/80/56/92/1015805692.db2.gz AVBFTAMYKKRYGN-MRXNPFEDSA-N 1 3 323.485 -0.672 20 0 DBADHO CN1CCN([C@@H]2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)C2)CC1 ZINC001550415518 1015805695 /nfs/dbraw/zinc/80/56/95/1015805695.db2.gz AVBFTAMYKKRYGN-MRXNPFEDSA-N 1 3 323.485 -0.672 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001550734705 1015812666 /nfs/dbraw/zinc/81/26/66/1015812666.db2.gz HDNPHVRBJYKPDM-IQXANGCESA-N 1 3 308.426 -0.021 20 0 DBADHO C[NH+]1CCC(n2cc(NC(=O)N3CCNC[C@@H](O)C3)cn2)CC1 ZINC001550748382 1015812847 /nfs/dbraw/zinc/81/28/47/1015812847.db2.gz RXKORJCVJNZIGQ-CQSZACIVSA-N 1 3 322.413 -0.052 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCNC[C@@H](O)C1 ZINC001550758917 1015813304 /nfs/dbraw/zinc/81/33/04/1015813304.db2.gz XCNWRLUXAJYJSU-LSDHHAIUSA-N 1 3 304.394 -0.323 20 0 DBADHO CC(C)CNC(=O)CN[C@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001550911576 1015815173 /nfs/dbraw/zinc/81/51/73/1015815173.db2.gz DUPCPQMNCWNPBM-BBRMVZONSA-N 1 3 310.442 -0.005 20 0 DBADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC001551503446 1015828354 /nfs/dbraw/zinc/82/83/54/1015828354.db2.gz JJGHZSLDUUMUMV-BPLDGKMQSA-N 1 3 304.394 -0.023 20 0 DBADHO CN1C[C@H](O)C[C@@H]1CNC(=O)N[C@H]1Cc2ccccc2[C@@H]1[NH3+] ZINC001551489664 1015828469 /nfs/dbraw/zinc/82/84/69/1015828469.db2.gz JQVALYLATMZJQT-UXOAXIEHSA-N 1 3 304.394 -0.025 20 0 DBADHO Cn1cc([C@H]2CN(C(=O)N[C@H]3CCCN(C)C3)C[C@@H]2[NH3+])cn1 ZINC001552096253 1015839946 /nfs/dbraw/zinc/83/99/46/1015839946.db2.gz JMTGWLFGRUSERZ-MJBXVCDLSA-N 1 3 306.414 -0.050 20 0 DBADHO Cn1cc([C@H]2CN(C(=O)NC[C@H]3CCCN3C)C[C@@H]2[NH3+])cn1 ZINC001552096190 1015840118 /nfs/dbraw/zinc/84/01/18/1015840118.db2.gz JBSPKCXRNPGKHH-MCIONIFRSA-N 1 3 306.414 -0.050 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@@H](C)NC[C@H]2C)nn1 ZINC001552161094 1015843578 /nfs/dbraw/zinc/84/35/78/1015843578.db2.gz JNEULMPXMHKOCI-HKUMRIAESA-N 1 3 322.413 -0.811 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCN[C@@H](C)[C@H]2C)nn1 ZINC001552164302 1015844222 /nfs/dbraw/zinc/84/42/22/1015844222.db2.gz SAWSDRLGUSSHRD-FMCLSXCISA-N 1 3 322.413 -0.811 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)NC[C@@H]2CCCN2C)nn1 ZINC001552168577 1015844797 /nfs/dbraw/zinc/84/47/97/1015844797.db2.gz CPSHZVDMSSMNJV-SGMGOOAPSA-N 1 3 322.413 -0.810 20 0 DBADHO C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1CNCC(N)=O ZINC001401318107 994518121 /nfs/dbraw/zinc/51/81/21/994518121.db2.gz YVDCEEAWTVTCCO-STQMWFEESA-N 1 3 308.426 -0.216 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H](N(C)C)[C@H](n3ccnn3)C2)CC[N@@H+]1C ZINC001553023092 1015873999 /nfs/dbraw/zinc/87/39/99/1015873999.db2.gz WTRGKXXMZUMPOC-AAVRWANBSA-N 1 3 321.429 -0.133 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2C[C@@H](N(C)C)[C@H](n3ccnn3)C2)CC[N@H+]1C ZINC001553023092 1015874003 /nfs/dbraw/zinc/87/40/03/1015874003.db2.gz WTRGKXXMZUMPOC-AAVRWANBSA-N 1 3 321.429 -0.133 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2ccnn2C)CCC1 ZINC001401546371 994633098 /nfs/dbraw/zinc/63/30/98/994633098.db2.gz HVNXVZIURMTENH-CYBMUJFWSA-N 1 3 309.414 -0.529 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2ccnn2C)CCC1 ZINC001401546375 994633689 /nfs/dbraw/zinc/63/36/89/994633689.db2.gz HVNXVZIURMTENH-ZDUSSCGKSA-N 1 3 309.414 -0.529 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001401560691 994652210 /nfs/dbraw/zinc/65/22/10/994652210.db2.gz DUGYABJMONBSRH-ZDUSSCGKSA-N 1 3 309.414 -0.671 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001401572643 994667463 /nfs/dbraw/zinc/66/74/63/994667463.db2.gz VRQXPNLZMVHHLK-OLZOCXBDSA-N 1 3 310.398 -0.104 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2ccnn2C)CC[N@@H+]1C ZINC001401574967 994670475 /nfs/dbraw/zinc/67/04/75/994670475.db2.gz RDOQHWUVMDNDBS-YDHLFZDLSA-N 1 3 323.441 -0.283 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2ccnn2C)CC[N@H+]1C ZINC001401574967 994670481 /nfs/dbraw/zinc/67/04/81/994670481.db2.gz RDOQHWUVMDNDBS-YDHLFZDLSA-N 1 3 323.441 -0.283 20 0 DBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001401712028 994773702 /nfs/dbraw/zinc/77/37/02/994773702.db2.gz UNPAFPYVDUPONT-QWRGUYRKSA-N 1 3 300.403 -0.935 20 0 DBADHO CCN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401863935 994833874 /nfs/dbraw/zinc/83/38/74/994833874.db2.gz LAOGMIKMILSNBW-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401863935 994833876 /nfs/dbraw/zinc/83/38/76/994833876.db2.gz LAOGMIKMILSNBW-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](C(=O)NCC1([NH2+]CC(N)=O)CCOCC1)N(C)C ZINC001402236414 994994517 /nfs/dbraw/zinc/99/45/17/994994517.db2.gz WRUBEYOQIGXYDM-LLVKDONJSA-N 1 3 300.403 -0.933 20 0 DBADHO CCNC(=O)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001402342820 995094474 /nfs/dbraw/zinc/09/44/74/995094474.db2.gz KZOCJXFRZSYOAL-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001402369520 995112122 /nfs/dbraw/zinc/11/21/22/995112122.db2.gz FMFGFRKOGRUBEN-NSHDSACASA-N 1 3 313.402 -0.994 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001402425977 995129418 /nfs/dbraw/zinc/12/94/18/995129418.db2.gz WKRPVWULAANSDB-MJBXVCDLSA-N 1 3 308.426 -0.393 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001402425977 995129426 /nfs/dbraw/zinc/12/94/26/995129426.db2.gz WKRPVWULAANSDB-MJBXVCDLSA-N 1 3 308.426 -0.393 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001402425193 995129961 /nfs/dbraw/zinc/12/99/61/995129961.db2.gz UBIWFIXKADCJIY-ZNMIVQPWSA-N 1 3 322.453 -0.051 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001402425193 995129963 /nfs/dbraw/zinc/12/99/63/995129963.db2.gz UBIWFIXKADCJIY-ZNMIVQPWSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H](O)CN1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402455950 995148846 /nfs/dbraw/zinc/14/88/46/995148846.db2.gz ASODNQVPDXWMNK-CJNGLKHVSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H](O)CN1CCC[C@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402455946 995149536 /nfs/dbraw/zinc/14/95/36/995149536.db2.gz ASODNQVPDXWMNK-BBRMVZONSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001402519619 995176329 /nfs/dbraw/zinc/17/63/29/995176329.db2.gz PKFJBWXXICPILF-AVGNSLFASA-N 1 3 317.455 -0.390 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001402540519 995183497 /nfs/dbraw/zinc/18/34/97/995183497.db2.gz XKHGEJUHVWLZIZ-GMTAPVOTSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)N(C)C ZINC001402589781 995202509 /nfs/dbraw/zinc/20/25/09/995202509.db2.gz CLEWACHYYMEVOQ-OLZOCXBDSA-N 1 3 314.430 -0.768 20 0 DBADHO CCCN(C)CC(=O)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001387032571 995224452 /nfs/dbraw/zinc/22/44/52/995224452.db2.gz SMQIVXAWSDEPHS-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001402627705 995224858 /nfs/dbraw/zinc/22/48/58/995224858.db2.gz JYHZJHHNUGIBIJ-XQQFMLRXSA-N 1 3 319.471 -0.146 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@](CO)([NH2+]C[C@H]2CCOC2)C1 ZINC001402732657 995263413 /nfs/dbraw/zinc/26/34/13/995263413.db2.gz WTPFNMAHNSQCGT-CJNGLKHVSA-N 1 3 322.409 -0.068 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@](CO)([NH2+]C[C@@H]2CCOC2)C1 ZINC001402732671 995263656 /nfs/dbraw/zinc/26/36/56/995263656.db2.gz WTPFNMAHNSQCGT-XJKSGUPXSA-N 1 3 322.409 -0.068 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001402758685 995273595 /nfs/dbraw/zinc/27/35/95/995273595.db2.gz DRRHZJUTVZAAQV-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001402758684 995274267 /nfs/dbraw/zinc/27/42/67/995274267.db2.gz DRRHZJUTVZAAQV-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001402862257 995312687 /nfs/dbraw/zinc/31/26/87/995312687.db2.gz JVSYMOSVZFVJAY-BFHYXJOUSA-N 1 3 313.442 -0.350 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001402862257 995312698 /nfs/dbraw/zinc/31/26/98/995312698.db2.gz JVSYMOSVZFVJAY-BFHYXJOUSA-N 1 3 313.442 -0.350 20 0 DBADHO C[NH+](C)CCCC(=O)NC1(CO)CCN(CCCO)CC1 ZINC001402885351 995322392 /nfs/dbraw/zinc/32/23/92/995322392.db2.gz UWSZADCHQHGPDT-UHFFFAOYSA-N 1 3 301.431 -0.346 20 0 DBADHO C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)NCC(=O)NC(N)=O ZINC001403027077 995381490 /nfs/dbraw/zinc/38/14/90/995381490.db2.gz ZQMRSMBELGKYSA-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCCS(C)(=O)=O ZINC001403022332 995381860 /nfs/dbraw/zinc/38/18/60/995381860.db2.gz HNYLRHQFJWBIMW-NWDGAFQWSA-N 1 3 317.455 -0.390 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001403035103 995384245 /nfs/dbraw/zinc/38/42/45/995384245.db2.gz KIBIIILTIBOEJT-GHMZBOCLSA-N 1 3 315.418 -0.735 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001403035107 995384654 /nfs/dbraw/zinc/38/46/54/995384654.db2.gz KIBIIILTIBOEJT-QWRGUYRKSA-N 1 3 315.418 -0.735 20 0 DBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001403089985 995402418 /nfs/dbraw/zinc/40/24/18/995402418.db2.gz WRSMPBUYVBPGKP-NEPJUHHUSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001403089985 995402421 /nfs/dbraw/zinc/40/24/21/995402421.db2.gz WRSMPBUYVBPGKP-NEPJUHHUSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001403139102 995422764 /nfs/dbraw/zinc/42/27/64/995422764.db2.gz NOCKJDJAFLPXAO-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001403139102 995422767 /nfs/dbraw/zinc/42/27/67/995422767.db2.gz NOCKJDJAFLPXAO-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO O=C(C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)NC1CC1 ZINC001403260769 995470969 /nfs/dbraw/zinc/47/09/69/995470969.db2.gz OEKYDZJVJVGOCP-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001403429426 995522149 /nfs/dbraw/zinc/52/21/49/995522149.db2.gz WTRSPQZUMBKKAD-XDQVBPFNSA-N 1 3 322.409 -0.438 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cc3nc[nH]c3C)[C@@H]2C1 ZINC001403429426 995522157 /nfs/dbraw/zinc/52/21/57/995522157.db2.gz WTRSPQZUMBKKAD-XDQVBPFNSA-N 1 3 322.409 -0.438 20 0 DBADHO C[C@H](NC[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001403854137 995732705 /nfs/dbraw/zinc/73/27/05/995732705.db2.gz AVKWNCGXYGXPLJ-NWDGAFQWSA-N 1 3 314.430 -0.857 20 0 DBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001388687613 995734371 /nfs/dbraw/zinc/73/43/71/995734371.db2.gz OBLWCCQTOKJLKR-MELADBBJSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001388701310 995738016 /nfs/dbraw/zinc/73/80/16/995738016.db2.gz BMMPBGKUNFEWGE-BETUJISGSA-N 1 3 319.471 -0.144 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001403865640 995742498 /nfs/dbraw/zinc/74/24/98/995742498.db2.gz FYQHDMWCPXJSDI-CQSZACIVSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001404014570 995802206 /nfs/dbraw/zinc/80/22/06/995802206.db2.gz GIHASHRYQOWNEH-UHFFFAOYSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001404334120 995858146 /nfs/dbraw/zinc/85/81/46/995858146.db2.gz XXRHUJFKJSBPIZ-STQMWFEESA-N 1 3 316.421 -0.007 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001389250881 995909893 /nfs/dbraw/zinc/90/98/93/995909893.db2.gz TZDMNVYMWSHBMD-ZDUSSCGKSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001389250881 995909896 /nfs/dbraw/zinc/90/98/96/995909896.db2.gz TZDMNVYMWSHBMD-ZDUSSCGKSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001389452473 995991943 /nfs/dbraw/zinc/99/19/43/995991943.db2.gz FDDRWTIVTHJVHY-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001389684988 996069419 /nfs/dbraw/zinc/06/94/19/996069419.db2.gz GAWVBHVUAOEWPD-OCCSQVGLSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001389684988 996069422 /nfs/dbraw/zinc/06/94/22/996069422.db2.gz GAWVBHVUAOEWPD-OCCSQVGLSA-N 1 3 308.426 -0.299 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001389815146 996110516 /nfs/dbraw/zinc/11/05/16/996110516.db2.gz NUXXBWRXHPFOLC-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001389860595 996122555 /nfs/dbraw/zinc/12/25/55/996122555.db2.gz YHRFMPVFYZVEBB-UHFFFAOYSA-N 1 3 307.398 -0.213 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001390073814 996179269 /nfs/dbraw/zinc/17/92/69/996179269.db2.gz XWYCGHZFNONDHO-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)N[C@H](C)C(N)=O ZINC001390359190 996231761 /nfs/dbraw/zinc/23/17/61/996231761.db2.gz AVXNKKLFUOIYOU-GHMZBOCLSA-N 1 3 310.402 -0.974 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCCS(C)(=O)=O)CC[N@@H+]1C ZINC001390379923 996237279 /nfs/dbraw/zinc/23/72/79/996237279.db2.gz VLGRSGCEUCAHRP-FRRDWIJNSA-N 1 3 319.471 -0.144 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCCS(C)(=O)=O)CC[N@H+]1C ZINC001390379923 996237281 /nfs/dbraw/zinc/23/72/81/996237281.db2.gz VLGRSGCEUCAHRP-FRRDWIJNSA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)N[C@@H](C)C(N)=O ZINC001390490347 996277466 /nfs/dbraw/zinc/27/74/66/996277466.db2.gz CSEAMBSGUSQARM-MNOVXSKESA-N 1 3 310.402 -0.974 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001390557265 996301971 /nfs/dbraw/zinc/30/19/71/996301971.db2.gz OJPLXBWYTFBJNQ-STQMWFEESA-N 1 3 316.421 -0.055 20 0 DBADHO CN1CCC[C@@H](N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001391092495 996445987 /nfs/dbraw/zinc/44/59/87/996445987.db2.gz CVMPRAZTEDWPMJ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)CCN[C@H](C)C(=O)NC(=O)NC ZINC001391227724 996496372 /nfs/dbraw/zinc/49/63/72/996496372.db2.gz YDYZOETVFBAZJD-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)CCN[C@H](C)C(=O)NC(=O)NC ZINC001391227724 996496377 /nfs/dbraw/zinc/49/63/77/996496377.db2.gz YDYZOETVFBAZJD-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)N2CCCC2)C1 ZINC001493694070 1016040339 /nfs/dbraw/zinc/04/03/39/1016040339.db2.gz BMXNXUPKPAMVOM-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)N2CCCC2)C1 ZINC001493694070 1016040346 /nfs/dbraw/zinc/04/03/46/1016040346.db2.gz BMXNXUPKPAMVOM-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)N2CCC(CN(C)CC(N)=O)CC2)C1 ZINC001391366726 996524977 /nfs/dbraw/zinc/52/49/77/996524977.db2.gz HGOHNDHRILCKOW-CYBMUJFWSA-N 1 3 310.442 -0.016 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)N2CCC(CN(C)CC(N)=O)CC2)C1 ZINC001391366726 996524984 /nfs/dbraw/zinc/52/49/84/996524984.db2.gz HGOHNDHRILCKOW-CYBMUJFWSA-N 1 3 310.442 -0.016 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001391479738 996553606 /nfs/dbraw/zinc/55/36/06/996553606.db2.gz CEDVUSKXAVFFOQ-HUUCEWRRSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001391479738 996553610 /nfs/dbraw/zinc/55/36/10/996553610.db2.gz CEDVUSKXAVFFOQ-HUUCEWRRSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001391483790 996554899 /nfs/dbraw/zinc/55/48/99/996554899.db2.gz WPZKGKQHGZVFBD-GJZGRUSLSA-N 1 3 311.426 -0.617 20 0 DBADHO C[C@@H](C[NH2+]CCN(C)C(=O)Cc1c[nH]cn1)CS(C)(=O)=O ZINC001493709110 1016044062 /nfs/dbraw/zinc/04/40/62/1016044062.db2.gz NGODVDOKFHLGCY-NSHDSACASA-N 1 3 316.427 -0.319 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C[C@@H](O)COC)C2)CC[N@@H+]1C ZINC001391576061 996579688 /nfs/dbraw/zinc/57/96/88/996579688.db2.gz DQBWCGZIUHEUIM-APIJFGDWSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C[C@@H](O)COC)C2)CC[N@H+]1C ZINC001391576061 996579693 /nfs/dbraw/zinc/57/96/93/996579693.db2.gz DQBWCGZIUHEUIM-APIJFGDWSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001392077163 996719488 /nfs/dbraw/zinc/71/94/88/996719488.db2.gz WEXVSILBDIYHHZ-STQMWFEESA-N 1 3 301.431 -0.086 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001392122414 996735508 /nfs/dbraw/zinc/73/55/08/996735508.db2.gz TZBGIOFVENQMHU-MNOVXSKESA-N 1 3 315.418 -0.652 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001392122414 996735511 /nfs/dbraw/zinc/73/55/11/996735511.db2.gz TZBGIOFVENQMHU-MNOVXSKESA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)CC(N)=O)CC2)CC[N@@H+]1C ZINC001404619440 996828093 /nfs/dbraw/zinc/82/80/93/996828093.db2.gz UEOBRLNMTOJISE-TZMCWYRMSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC(CN(C)CC(N)=O)CC2)CC[N@H+]1C ZINC001404619440 996828097 /nfs/dbraw/zinc/82/80/97/996828097.db2.gz UEOBRLNMTOJISE-TZMCWYRMSA-N 1 3 310.442 -0.018 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001392379016 996849885 /nfs/dbraw/zinc/84/98/85/996849885.db2.gz PGDFPVNTLWYIEG-KCPJHIHWSA-N 1 3 321.425 -0.308 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cn1 ZINC001392379016 996849888 /nfs/dbraw/zinc/84/98/88/996849888.db2.gz PGDFPVNTLWYIEG-KCPJHIHWSA-N 1 3 321.425 -0.308 20 0 DBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001392461783 996944344 /nfs/dbraw/zinc/94/43/44/996944344.db2.gz RXWGWVJNSDIFOQ-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001392592707 997065509 /nfs/dbraw/zinc/06/55/09/997065509.db2.gz ULKDNLGCACSYGO-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]CC(=O)NC(=O)NC ZINC001405278774 997153400 /nfs/dbraw/zinc/15/34/00/997153400.db2.gz ZNTJABSEUQVHGX-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CN(CC(=O)N[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001392777507 997201086 /nfs/dbraw/zinc/20/10/86/997201086.db2.gz VCSMAKVCKLFMTO-KBPBESRZSA-N 1 3 308.426 -0.156 20 0 DBADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)NC(=O)NC ZINC001405350428 997218411 /nfs/dbraw/zinc/21/84/11/997218411.db2.gz ZNTJABSEUQVHGX-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001392796589 997219415 /nfs/dbraw/zinc/21/94/15/997219415.db2.gz XOKBRFFOMMZHLR-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001405357969 997225688 /nfs/dbraw/zinc/22/56/88/997225688.db2.gz FEKRKOYALZHKPR-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]C[C@H](O)COC)N(C)C ZINC001393046011 997387721 /nfs/dbraw/zinc/38/77/21/997387721.db2.gz HBRQDAJIPUBINU-IHRRRGAJSA-N 1 3 301.431 -0.086 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCC(=O)NC(N)=O ZINC001393058662 997396192 /nfs/dbraw/zinc/39/61/92/997396192.db2.gz TYHCKHPSJIJLNW-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO C[C@H](C[NH2+]C[C@@H](O)Cn1cccn1)N(C)C(=O)CN1CCCC1 ZINC001405896754 997460088 /nfs/dbraw/zinc/46/00/88/997460088.db2.gz RUZDNGPIUOIGRE-HUUCEWRRSA-N 1 3 323.441 -0.224 20 0 DBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001393251771 997498635 /nfs/dbraw/zinc/49/86/35/997498635.db2.gz XUBBGJPWVXAYTC-GDBMZVCRSA-N 1 3 313.442 -0.348 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001393251771 997498634 /nfs/dbraw/zinc/49/86/34/997498634.db2.gz XUBBGJPWVXAYTC-GDBMZVCRSA-N 1 3 313.442 -0.348 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H](C)OC)C1 ZINC001393292805 997548126 /nfs/dbraw/zinc/54/81/26/997548126.db2.gz QEWSLLDDVXBIEZ-UKRRQHHQSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H](C)OC)C1 ZINC001393292805 997548131 /nfs/dbraw/zinc/54/81/31/997548131.db2.gz QEWSLLDDVXBIEZ-UKRRQHHQSA-N 1 3 301.431 -0.084 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406226273 997595518 /nfs/dbraw/zinc/59/55/18/997595518.db2.gz VRLOWNXSQXMMEL-BPLDGKMQSA-N 1 3 323.441 -0.365 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406226273 997595526 /nfs/dbraw/zinc/59/55/26/997595526.db2.gz VRLOWNXSQXMMEL-BPLDGKMQSA-N 1 3 323.441 -0.365 20 0 DBADHO O=C(C[NH+]1CCCC1)NCC1(O)CN(CC2CCOCC2)C1 ZINC001393354582 997613370 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DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001406329923 997696191 /nfs/dbraw/zinc/69/61/91/997696191.db2.gz ORICTJWYXMSXGQ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001406329923 997696198 /nfs/dbraw/zinc/69/61/98/997696198.db2.gz ORICTJWYXMSXGQ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CNC[C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CCO1 ZINC001393581589 997749366 /nfs/dbraw/zinc/74/93/66/997749366.db2.gz GEJSUPBHIRPPAR-JSGCOSHPSA-N 1 3 314.430 -0.864 20 0 DBADHO Cc1nc(CNC[C@H]2CN(C(=O)CCC[NH+](C)C)CCO2)n[nH]1 ZINC001393589132 997753540 /nfs/dbraw/zinc/75/35/40/997753540.db2.gz LUJGKFRLMSVZTH-ZDUSSCGKSA-N 1 3 324.429 -0.228 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC ZINC001406427008 997758726 /nfs/dbraw/zinc/75/87/26/997758726.db2.gz BOWHMFPYYWHKEH-MCIONIFRSA-N 1 3 301.431 -0.038 20 0 DBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001407118448 998024219 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CNC(=O)CN[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001394711559 998397492 /nfs/dbraw/zinc/39/74/92/998397492.db2.gz GANMZODJUNRNAG-CHWSQXEVSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001394711561 998397669 /nfs/dbraw/zinc/39/76/69/998397669.db2.gz GANMZODJUNRNAG-QWHCGFSZSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001394711561 998397680 /nfs/dbraw/zinc/39/76/80/998397680.db2.gz GANMZODJUNRNAG-QWHCGFSZSA-N 1 3 310.442 -0.099 20 0 DBADHO Cc1nc([C@@H](C)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001407847634 998400654 /nfs/dbraw/zinc/40/06/54/998400654.db2.gz IIJAFUKSPBVNJD-YPMHNXCESA-N 1 3 324.429 -0.057 20 0 DBADHO C[C@H](NCC1(O)CCN(C(=O)CCC[NH+](C)C)CC1)C(N)=O ZINC001408149816 998524639 /nfs/dbraw/zinc/52/46/39/998524639.db2.gz BYOOUECJWIZZCP-LBPRGKRZSA-N 1 3 314.430 -0.855 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1)N(C)C ZINC001397206795 998991575 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CN(CCN[C@H]1CCCN(C)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001420721236 1000218475 /nfs/dbraw/zinc/21/84/75/1000218475.db2.gz CNWOGYWNYFXEQD-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001408574723 1000230096 /nfs/dbraw/zinc/23/00/96/1000230096.db2.gz YPCDOVHRVSROFK-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001408574723 1000230104 /nfs/dbraw/zinc/23/01/04/1000230104.db2.gz YPCDOVHRVSROFK-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001420967703 1000316521 /nfs/dbraw/zinc/31/65/21/1000316521.db2.gz DRRHZJUTVZAAQV-KKUMJFAQSA-N 1 3 313.442 -0.084 20 0 DBADHO CCN(CC)CC(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001409054719 1000346091 /nfs/dbraw/zinc/34/60/91/1000346091.db2.gz CFPYUJABPWJPAF-OAHLLOKOSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)CCC(=O)NC1CN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001409103703 1000364673 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/nfs/dbraw/zinc/06/48/63/1001064863.db2.gz XTIXMJQMUBRICP-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001423397185 1001279459 /nfs/dbraw/zinc/27/94/59/1001279459.db2.gz PDKLMHCFLRMHES-KGLIPLIRSA-N 1 3 322.453 -0.099 20 0 DBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001423500420 1001346485 /nfs/dbraw/zinc/34/64/85/1001346485.db2.gz AKIQUAJPRLDBAC-ZIAGYGMSSA-N 1 3 301.431 -0.396 20 0 DBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001423500420 1001346492 /nfs/dbraw/zinc/34/64/92/1001346492.db2.gz AKIQUAJPRLDBAC-ZIAGYGMSSA-N 1 3 301.431 -0.396 20 0 DBADHO CN(CCO)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001423500414 1001347275 /nfs/dbraw/zinc/34/72/75/1001347275.db2.gz AKIQUAJPRLDBAC-KGLIPLIRSA-N 1 3 301.431 -0.396 20 0 DBADHO CN(CCO)C[C@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001423500414 1001347281 /nfs/dbraw/zinc/34/72/81/1001347281.db2.gz AKIQUAJPRLDBAC-KGLIPLIRSA-N 1 3 301.431 -0.396 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO ZINC001423517927 1001358664 /nfs/dbraw/zinc/35/86/64/1001358664.db2.gz VFCBCSLLPUHOOK-CABCVRRESA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO ZINC001423517927 1001358668 /nfs/dbraw/zinc/35/86/68/1001358668.db2.gz VFCBCSLLPUHOOK-CABCVRRESA-N 1 3 315.458 -0.007 20 0 DBADHO CN(C[C@H](O)C[N@H+](C)C[C@@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001423547678 1001372588 /nfs/dbraw/zinc/37/25/88/1001372588.db2.gz XXJXDCJQGHBDIH-GXTWGEPZSA-N 1 3 310.398 -0.260 20 0 DBADHO CN(C[C@H](O)C[N@@H+](C)C[C@@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001423547678 1001372593 /nfs/dbraw/zinc/37/25/93/1001372593.db2.gz XXJXDCJQGHBDIH-GXTWGEPZSA-N 1 3 310.398 -0.260 20 0 DBADHO CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001424240519 1001606474 /nfs/dbraw/zinc/60/64/74/1001606474.db2.gz RBLUFUMQTXHOJP-STQMWFEESA-N 1 3 324.425 -0.966 20 0 DBADHO CC(C)N(C)CC(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCOCC1 ZINC001424436447 1001642400 /nfs/dbraw/zinc/64/24/00/1001642400.db2.gz JBVOLIROQPUADB-GFCCVEGCSA-N 1 3 314.430 -0.545 20 0 DBADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001425359669 1002012867 /nfs/dbraw/zinc/01/28/67/1002012867.db2.gz LZMVWSJJCBCIEK-STQMWFEESA-N 1 3 314.430 -0.722 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC001425365726 1002019464 /nfs/dbraw/zinc/01/94/64/1002019464.db2.gz SEKVGJGFSKYPRY-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC001425365726 1002019478 /nfs/dbraw/zinc/01/94/78/1002019478.db2.gz SEKVGJGFSKYPRY-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CCN(C)C(=O)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCCN1C ZINC001425777161 1002416794 /nfs/dbraw/zinc/41/67/94/1002416794.db2.gz YHXYTQYGDKMTKG-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001426032207 1002631514 /nfs/dbraw/zinc/63/15/14/1002631514.db2.gz OMVFCAZXBDSTTJ-AWEZNQCLSA-N 1 3 321.425 -0.575 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001436421099 1002704665 /nfs/dbraw/zinc/70/46/65/1002704665.db2.gz HIKSCGBMIUNNPG-HZSPNIEDSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC[NH+](C)C)n1 ZINC001436430897 1002706104 /nfs/dbraw/zinc/70/61/04/1002706104.db2.gz IPYYIPRQJXQBLG-JTQLQIEISA-N 1 3 311.386 -0.780 20 0 DBADHO C[C@@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)CC[NH+](C)C)n1 ZINC001436430906 1002708578 /nfs/dbraw/zinc/70/85/78/1002708578.db2.gz IPYYIPRQJXQBLG-SNVBAGLBSA-N 1 3 311.386 -0.780 20 0 DBADHO CC(C)[C@H](C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1)N(C)C ZINC001436462189 1002720143 /nfs/dbraw/zinc/72/01/43/1002720143.db2.gz GBWSBNXOQKRCDQ-HUUCEWRRSA-N 1 3 315.458 -0.150 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+][C@H]3CCN(C)C3=O)C2)CCC1 ZINC001436894706 1002821407 /nfs/dbraw/zinc/82/14/07/1002821407.db2.gz KAQCQKBZKBGYCZ-AVGNSLFASA-N 1 3 308.426 -0.062 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001436902219 1002823749 /nfs/dbraw/zinc/82/37/49/1002823749.db2.gz ZLKNHCFWKOMQQQ-KKOKHZNYSA-N 1 3 302.394 -0.223 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001436902209 1002824089 /nfs/dbraw/zinc/82/40/89/1002824089.db2.gz ZLKNHCFWKOMQQQ-BJDJZHNGSA-N 1 3 302.394 -0.223 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436953611 1002832226 /nfs/dbraw/zinc/83/22/26/1002832226.db2.gz JTHJBMVPKPZLDS-QNWHQSFQSA-N 1 3 314.405 -0.208 20 0 DBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCO[C@H](C)C1 ZINC001437199997 1002880758 /nfs/dbraw/zinc/88/07/58/1002880758.db2.gz KIZVNFWBMDXYRV-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC(F)(F)F ZINC001437265003 1002897398 /nfs/dbraw/zinc/89/73/98/1002897398.db2.gz XYRKXSBEGGSVRR-NXEZZACHSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC(F)(F)F ZINC001437265003 1002897402 /nfs/dbraw/zinc/89/74/02/1002897402.db2.gz XYRKXSBEGGSVRR-NXEZZACHSA-N 1 3 324.347 -0.289 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001416005751 1003086213 /nfs/dbraw/zinc/08/62/13/1003086213.db2.gz NGGOKHCAGVNJMH-HNNXBMFYSA-N 1 3 322.453 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001416005753 1003086471 /nfs/dbraw/zinc/08/64/71/1003086471.db2.gz NGGOKHCAGVNJMH-OAHLLOKOSA-N 1 3 322.453 -0.005 20 0 DBADHO CN(C)C(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001437944567 1003296090 /nfs/dbraw/zinc/29/60/90/1003296090.db2.gz IJXWYKRQEJKHNO-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001437944567 1003296099 /nfs/dbraw/zinc/29/60/99/1003296099.db2.gz IJXWYKRQEJKHNO-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438643428 1003559409 /nfs/dbraw/zinc/55/94/09/1003559409.db2.gz OSDWTFOPALVTHQ-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001438992038 1003822238 /nfs/dbraw/zinc/82/22/38/1003822238.db2.gz JBECUHIWTDUDIQ-HUUCEWRRSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001438992038 1003822239 /nfs/dbraw/zinc/82/22/39/1003822239.db2.gz JBECUHIWTDUDIQ-HUUCEWRRSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001428450903 1003840718 /nfs/dbraw/zinc/84/07/18/1003840718.db2.gz SUXGNKULOKVYNB-VIKVFOODSA-N 1 3 310.442 -0.149 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCCN(C)C1=O ZINC001439038170 1003846631 /nfs/dbraw/zinc/84/66/31/1003846631.db2.gz XRCWBBZARKZUCM-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H](O)CN[C@H]1CCCN(C)C1=O ZINC001439038170 1003846630 /nfs/dbraw/zinc/84/66/30/1003846630.db2.gz XRCWBBZARKZUCM-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001417251088 1003853968 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1004342073 /nfs/dbraw/zinc/34/20/73/1004342073.db2.gz UXNUJSITCZKZCO-FRRDWIJNSA-N 1 3 317.455 -0.438 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001418328517 1004342082 /nfs/dbraw/zinc/34/20/82/1004342082.db2.gz UXNUJSITCZKZCO-FRRDWIJNSA-N 1 3 317.455 -0.438 20 0 DBADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001418334285 1004346700 /nfs/dbraw/zinc/34/67/00/1004346700.db2.gz ZKHIGAPWNTULFI-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)CNC(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001418334285 1004346710 /nfs/dbraw/zinc/34/67/10/1004346710.db2.gz ZKHIGAPWNTULFI-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO O=C(C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)NC1CC1 ZINC001418349326 1004354088 /nfs/dbraw/zinc/35/40/88/1004354088.db2.gz GCXMRPZGPCHRIT-NSHDSACASA-N 1 3 305.382 -0.331 20 0 DBADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001418442232 1004392599 /nfs/dbraw/zinc/39/25/99/1004392599.db2.gz MZVXNWOMBCGROP-WDEREUQCSA-N 1 3 315.418 -0.606 20 0 DBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001496251804 1016875990 /nfs/dbraw/zinc/87/59/90/1016875990.db2.gz WIYVDZAAASONHU-NWDGAFQWSA-N 1 3 312.414 -0.432 20 0 DBADHO COC[C@H](O)CN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001418803123 1004650805 /nfs/dbraw/zinc/65/08/05/1004650805.db2.gz OXCAXVLNCASPLI-MCIONIFRSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001418942662 1004726501 /nfs/dbraw/zinc/72/65/01/1004726501.db2.gz KTUXWYWWVJBARB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@@H]2CCNC2=O)C1 ZINC001418942662 1004726506 /nfs/dbraw/zinc/72/65/06/1004726506.db2.gz KTUXWYWWVJBARB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001419240965 1004840241 /nfs/dbraw/zinc/84/02/41/1004840241.db2.gz JLHXRSJXLVNAFG-GHMZBOCLSA-N 1 3 313.402 -0.993 20 0 DBADHO CN(C)C(=O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001419312354 1004855924 /nfs/dbraw/zinc/85/59/24/1004855924.db2.gz OUNNQOVTADDOGX-ZDUSSCGKSA-N 1 3 308.426 -0.345 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N1CC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001419386657 1004865664 /nfs/dbraw/zinc/86/56/64/1004865664.db2.gz PWZLHDGGMQZUEO-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001419382927 1004866094 /nfs/dbraw/zinc/86/60/94/1004866094.db2.gz ILFAEMVJLGAFKU-RYUDHWBXSA-N 1 3 303.428 -0.827 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001419382927 1004866097 /nfs/dbraw/zinc/86/60/97/1004866097.db2.gz ILFAEMVJLGAFKU-RYUDHWBXSA-N 1 3 303.428 -0.827 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001419529800 1004893425 /nfs/dbraw/zinc/89/34/25/1004893425.db2.gz QWGCLTOVNJOAPW-CMPLNLGQSA-N 1 3 315.418 -0.891 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419624353 1004920652 /nfs/dbraw/zinc/92/06/52/1004920652.db2.gz JCTVUACWIIUGMJ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419624353 1004920659 /nfs/dbraw/zinc/92/06/59/1004920659.db2.gz JCTVUACWIIUGMJ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001419973524 1005036743 /nfs/dbraw/zinc/03/67/43/1005036743.db2.gz SWBYHZLLONABEY-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@H](O)C[N@@H+](C)CCN(C)C(=O)[C@H]1CCCCN1C ZINC001419973524 1005036745 /nfs/dbraw/zinc/03/67/45/1005036745.db2.gz SWBYHZLLONABEY-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CN(C)C(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001420083274 1005073723 /nfs/dbraw/zinc/07/37/23/1005073723.db2.gz XLBGFHGRAIPRPY-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN1CCC[C@H](NC[C@H](O)CNC(=O)CCC[NH+](C)C)C1=O ZINC001420161888 1005128239 /nfs/dbraw/zinc/12/82/39/1005128239.db2.gz YEDLJNFXRJGASH-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO Cc1nc(CNC[C@H](O)CNC(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001420183812 1005138992 /nfs/dbraw/zinc/13/89/92/1005138992.db2.gz QKUCPNVJWKOFQQ-ZDUSSCGKSA-N 1 3 324.429 -0.588 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2ccccn2)C1 ZINC001420185125 1005140627 /nfs/dbraw/zinc/14/06/27/1005140627.db2.gz CIHCVIOTVPPEJB-UKRRQHHQSA-N 1 3 306.410 -0.010 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@H](O)CNCc2ccccn2)C1 ZINC001420185125 1005140631 /nfs/dbraw/zinc/14/06/31/1005140631.db2.gz CIHCVIOTVPPEJB-UKRRQHHQSA-N 1 3 306.410 -0.010 20 0 DBADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420190085 1005142869 /nfs/dbraw/zinc/14/28/69/1005142869.db2.gz KQPCQMDJEJSRKD-ZIAGYGMSSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420190085 1005142872 /nfs/dbraw/zinc/14/28/72/1005142872.db2.gz KQPCQMDJEJSRKD-ZIAGYGMSSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1cccnc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001420190079 1005143108 /nfs/dbraw/zinc/14/31/08/1005143108.db2.gz KQPCQMDJEJSRKD-KGLIPLIRSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1cccnc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001420190079 1005143111 /nfs/dbraw/zinc/14/31/11/1005143111.db2.gz KQPCQMDJEJSRKD-KGLIPLIRSA-N 1 3 306.410 -0.092 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420200183 1005150031 /nfs/dbraw/zinc/15/00/31/1005150031.db2.gz VUSVBAHXNLYNPU-TZMCWYRMSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420200183 1005150034 /nfs/dbraw/zinc/15/00/34/1005150034.db2.gz VUSVBAHXNLYNPU-TZMCWYRMSA-N 1 3 309.414 -0.671 20 0 DBADHO COC[C@@H](O)CN(C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420284239 1005184830 /nfs/dbraw/zinc/18/48/30/1005184830.db2.gz LVGGPVFOTVCSHX-ZDUSSCGKSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001420503818 1005282511 /nfs/dbraw/zinc/28/25/11/1005282511.db2.gz RRWPJXJTKQVHBX-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001440403136 1006097454 /nfs/dbraw/zinc/09/74/54/1006097454.db2.gz QVZKRPFTMXFGNE-CYBMUJFWSA-N 1 3 314.430 -0.768 20 0 DBADHO C[C@@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001440440040 1006126577 /nfs/dbraw/zinc/12/65/77/1006126577.db2.gz IQNVOZKQGVDFIM-MNOVXSKESA-N 1 3 323.397 -0.780 20 0 DBADHO C[C@@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001440440040 1006126584 /nfs/dbraw/zinc/12/65/84/1006126584.db2.gz IQNVOZKQGVDFIM-MNOVXSKESA-N 1 3 323.397 -0.780 20 0 DBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001440606479 1006224642 /nfs/dbraw/zinc/22/46/42/1006224642.db2.gz MCNDTMOGBRXVAW-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC2(CO)CCN(CCCO)CC2)CC[N@@H+]1C ZINC001440698295 1006264779 /nfs/dbraw/zinc/26/47/79/1006264779.db2.gz ZIDBQLGQCFIPDV-ZIAGYGMSSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC2(CO)CCN(CCCO)CC2)CC[N@H+]1C ZINC001440698295 1006264793 /nfs/dbraw/zinc/26/47/93/1006264793.db2.gz ZIDBQLGQCFIPDV-ZIAGYGMSSA-N 1 3 313.442 -0.348 20 0 DBADHO CNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001440819144 1006318602 /nfs/dbraw/zinc/31/86/02/1006318602.db2.gz MTNCFRMMMFVBBW-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CC(C)N(C)CC(=O)NCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001429308706 1006347075 /nfs/dbraw/zinc/34/70/75/1006347075.db2.gz UJSHZEPLVSXDGB-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441013185 1006417008 /nfs/dbraw/zinc/41/70/08/1006417008.db2.gz PHFWOVMMDKGSIL-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441013185 1006417021 /nfs/dbraw/zinc/41/70/21/1006417021.db2.gz PHFWOVMMDKGSIL-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](NC(=O)COC1CC[NH+](C)CC1)C1CN(CCCO)C1 ZINC001441217894 1006522696 /nfs/dbraw/zinc/52/26/96/1006522696.db2.gz UGPOQWXUDCMQAZ-ZDUSSCGKSA-N 1 3 313.442 -0.084 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001441256985 1006544358 /nfs/dbraw/zinc/54/43/58/1006544358.db2.gz NEHFSERLGWHNGF-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441256985 1006544365 /nfs/dbraw/zinc/54/43/65/1006544365.db2.gz NEHFSERLGWHNGF-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cc2nc[nH]c2C)C1 ZINC001441375744 1006613526 /nfs/dbraw/zinc/61/35/26/1006613526.db2.gz JRBNTAFJJXOUGZ-JHJVBQTASA-N 1 3 310.398 -0.248 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001441387263 1006624154 /nfs/dbraw/zinc/62/41/54/1006624154.db2.gz VOXANBGZZVEMAM-AVGNSLFASA-N 1 3 308.426 -0.014 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001441494495 1006687234 /nfs/dbraw/zinc/68/72/34/1006687234.db2.gz ZLKNHCFWKOMQQQ-NNYUYHANSA-N 1 3 302.394 -0.223 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCC(=O)Nc2ccon2)C1 ZINC001441501030 1006689033 /nfs/dbraw/zinc/68/90/33/1006689033.db2.gz 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C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)NCc1nccn1C ZINC001442047846 1007136532 /nfs/dbraw/zinc/13/65/32/1007136532.db2.gz JKJHNMOZZXNURI-KBPBESRZSA-N 1 3 323.441 -0.017 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCc1ccco1 ZINC001442048647 1007138384 /nfs/dbraw/zinc/13/83/84/1007138384.db2.gz KBBRCTBKOGZPLK-STQMWFEESA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCc1ccco1 ZINC001442048647 1007138398 /nfs/dbraw/zinc/13/83/98/1007138398.db2.gz KBBRCTBKOGZPLK-STQMWFEESA-N 1 3 322.409 -0.058 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001442086628 1007209303 /nfs/dbraw/zinc/20/93/03/1007209303.db2.gz BAAKKATWLLXZKU-UONOGXRCSA-N 1 3 301.431 -0.396 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001442086628 1007209318 /nfs/dbraw/zinc/20/93/18/1007209318.db2.gz BAAKKATWLLXZKU-UONOGXRCSA-N 1 3 301.431 -0.396 20 0 DBADHO COC[C@H](O)CN(C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001442430386 1007436893 /nfs/dbraw/zinc/43/68/93/1007436893.db2.gz IMMITFAKMPQHRI-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO COC[C@H](O)CN(C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001442566032 1007551309 /nfs/dbraw/zinc/55/13/09/1007551309.db2.gz LVGGPVFOTVCSHX-CYBMUJFWSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001431537689 1007584136 /nfs/dbraw/zinc/58/41/36/1007584136.db2.gz MBNASEUGTHYRFT-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001431537689 1007584147 /nfs/dbraw/zinc/58/41/47/1007584147.db2.gz MBNASEUGTHYRFT-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO CNC(=O)CNC[C@@H](O)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497075370 1017244778 /nfs/dbraw/zinc/24/47/78/1017244778.db2.gz HXKMWIPMSJXKRB-CQSZACIVSA-N 1 3 322.409 -0.826 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001432025403 1007791091 /nfs/dbraw/zinc/79/10/91/1007791091.db2.gz PCNQGISEFSLYNU-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001432025403 1007791101 /nfs/dbraw/zinc/79/11/01/1007791101.db2.gz PCNQGISEFSLYNU-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443825847 1007941534 /nfs/dbraw/zinc/94/15/34/1007941534.db2.gz VNINKBISPIABGQ-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCCCN1C ZINC001444615352 1008195054 /nfs/dbraw/zinc/19/50/54/1008195054.db2.gz DHAPVAGUQUOJCE-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]C[C@@H]2CCCOC2)CCC1 ZINC001445188817 1008297956 /nfs/dbraw/zinc/29/79/56/1008297956.db2.gz KZCBOCIXDIDBIW-UONOGXRCSA-N 1 3 313.442 -0.036 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001445202717 1008300677 /nfs/dbraw/zinc/30/06/77/1008300677.db2.gz KVMGKBMSXSFCNY-AWEZNQCLSA-N 1 3 321.425 -0.385 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001445225060 1008310073 /nfs/dbraw/zinc/31/00/73/1008310073.db2.gz MQHVFGVVFAUBRD-AWEZNQCLSA-N 1 3 309.414 -0.671 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001445263663 1008325070 /nfs/dbraw/zinc/32/50/70/1008325070.db2.gz RRKBCJZXDCMDHU-CQSZACIVSA-N 1 3 319.409 -0.552 20 0 DBADHO CNC(=O)C[NH2+]C[C@H](O)CNC(=O)c1cccc(CN(C)C)c1 ZINC001445275954 1008356267 /nfs/dbraw/zinc/35/62/67/1008356267.db2.gz YXBFBDWAHJPJHC-AWEZNQCLSA-N 1 3 322.409 -0.826 20 0 DBADHO CN(C)C(=O)CNC[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001445962720 1008453643 /nfs/dbraw/zinc/45/36/43/1008453643.db2.gz BWXABPYZWSGCBO-CQSZACIVSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001445996239 1008459081 /nfs/dbraw/zinc/45/90/81/1008459081.db2.gz WBNDALXYXSYKNA-ZDUSSCGKSA-N 1 3 308.426 -0.297 20 0 DBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCO)C1 ZINC001446798633 1008803558 /nfs/dbraw/zinc/80/35/58/1008803558.db2.gz ZOZHFAIWBBZQDA-GDBMZVCRSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1 ZINC001446798633 1008803565 /nfs/dbraw/zinc/80/35/65/1008803565.db2.gz ZOZHFAIWBBZQDA-GDBMZVCRSA-N 1 3 313.442 -0.205 20 0 DBADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001459264457 1009002963 /nfs/dbraw/zinc/00/29/63/1009002963.db2.gz HGDNGWPRRGTOLI-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001459264457 1009002978 /nfs/dbraw/zinc/00/29/78/1009002978.db2.gz HGDNGWPRRGTOLI-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)N(C)C ZINC001447699751 1009245332 /nfs/dbraw/zinc/24/53/32/1009245332.db2.gz CCUBPLGXVFYESM-COMQUAJESA-N 1 3 310.442 -0.149 20 0 DBADHO CC(C)N(C)CC(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1 ZINC001447740258 1009271010 /nfs/dbraw/zinc/27/10/10/1009271010.db2.gz WTWFFXCXMBNMEO-ZDUSSCGKSA-N 1 3 301.431 -0.350 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCN1CCNC1=O ZINC001448141610 1009559600 /nfs/dbraw/zinc/55/96/00/1009559600.db2.gz AHQWWOVGHAUVLF-OLZOCXBDSA-N 1 3 311.430 -0.600 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCN1CCNC1=O ZINC001448141610 1009559606 /nfs/dbraw/zinc/55/96/06/1009559606.db2.gz AHQWWOVGHAUVLF-OLZOCXBDSA-N 1 3 311.430 -0.600 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001448425683 1009764343 /nfs/dbraw/zinc/76/43/43/1009764343.db2.gz GDYHVKNIOHYFJB-FQUUOJAGSA-N 1 3 322.453 -0.114 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001448468238 1009791837 /nfs/dbraw/zinc/79/18/37/1009791837.db2.gz PTWUSBAMBZWDRN-QKDCVEJESA-N 1 3 320.441 -0.086 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001448468238 1009791865 /nfs/dbraw/zinc/79/18/65/1009791865.db2.gz PTWUSBAMBZWDRN-QKDCVEJESA-N 1 3 320.441 -0.086 20 0 DBADHO Cc1cnc(C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O)cn1 ZINC001448626965 1009829613 /nfs/dbraw/zinc/82/96/13/1009829613.db2.gz UEKHFTAWQDPVLF-SECBINFHSA-N 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CCCN(C)CC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1 ZINC001479511062 1010298410 /nfs/dbraw/zinc/29/84/10/1010298410.db2.gz OCKPFUJNSCFPHJ-LSDHHAIUSA-N 1 3 323.441 -0.362 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001449217743 1010384036 /nfs/dbraw/zinc/38/40/36/1010384036.db2.gz RIDPIFSAYHHQCZ-ZIAGYGMSSA-N 1 3 301.431 -0.274 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN1CC[C@@H](C)C1 ZINC001449217743 1010384052 /nfs/dbraw/zinc/38/40/52/1010384052.db2.gz RIDPIFSAYHHQCZ-ZIAGYGMSSA-N 1 3 301.431 -0.274 20 0 DBADHO CN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001479812038 1010399626 /nfs/dbraw/zinc/39/96/26/1010399626.db2.gz FMRRFCOVTNFPKY-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001479812038 1010399637 /nfs/dbraw/zinc/39/96/37/1010399637.db2.gz FMRRFCOVTNFPKY-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+]1CCC(C(=O)NC[C@@H](N[C@H]2CCNC2=O)C2CC2)CC1 ZINC001480043053 1010513115 /nfs/dbraw/zinc/51/31/15/1010513115.db2.gz IXLGQYAXPYNQMX-UONOGXRCSA-N 1 3 308.426 -0.299 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001480394725 1010626300 /nfs/dbraw/zinc/62/63/00/1010626300.db2.gz CREOVSBJXZOOEU-ZUWCUPBKSA-N 1 3 308.426 -0.396 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001480394725 1010626308 /nfs/dbraw/zinc/62/63/08/1010626308.db2.gz CREOVSBJXZOOEU-ZUWCUPBKSA-N 1 3 308.426 -0.396 20 0 DBADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@H]1CCNC1=O ZINC001480485614 1010662668 /nfs/dbraw/zinc/66/26/68/1010662668.db2.gz FFYQKLHJVKKWGW-STQMWFEESA-N 1 3 308.426 -0.155 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001481243191 1010872516 /nfs/dbraw/zinc/87/25/16/1010872516.db2.gz IMZMBFJFPSBTCV-QWRGUYRKSA-N 1 3 315.418 -0.796 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CC[NH2+]CCNC(=O)C2CC2)C1 ZINC001481279035 1010880358 /nfs/dbraw/zinc/88/03/58/1010880358.db2.gz DSMSFFGWTMASRI-ZDUSSCGKSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CC(N)=O)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001481520439 1010896811 /nfs/dbraw/zinc/89/68/11/1010896811.db2.gz QEJXVGZUKBVITO-UHFFFAOYSA-N 1 3 308.426 -0.262 20 0 DBADHO CC[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001481820956 1011006770 /nfs/dbraw/zinc/00/67/70/1011006770.db2.gz RQFCDSQPOCAOKW-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H]1CCNC1=O ZINC001481828883 1011010535 /nfs/dbraw/zinc/01/05/35/1011010535.db2.gz HMFOJUPOOLUXBV-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001481883303 1011023122 /nfs/dbraw/zinc/02/31/22/1011023122.db2.gz XNYVVZKBFWUIPN-WDEREUQCSA-N 1 3 315.418 -0.606 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C(C)(C)[NH+]2CCCC2)cn1 ZINC001482756055 1011393108 /nfs/dbraw/zinc/39/31/08/1011393108.db2.gz NNFDEGGOKDPEKQ-CQSZACIVSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482776671 1011436528 /nfs/dbraw/zinc/43/65/28/1011436528.db2.gz ZMODPXIDFAEMGF-OAHLLOKOSA-N 1 3 323.441 -0.281 20 0 DBADHO O=C(NC[C@@H](O)CNCc1ccccn1)C12CC[NH+](CC1)C2 ZINC001482785262 1011455143 /nfs/dbraw/zinc/45/51/43/1011455143.db2.gz HHNDXBFMILIZRH-AWEZNQCLSA-N 1 3 304.394 -0.256 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001453195436 1011552589 /nfs/dbraw/zinc/55/25/89/1011552589.db2.gz PGIPIQNZFKIMOP-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001453195436 1011552605 /nfs/dbraw/zinc/55/26/05/1011552605.db2.gz PGIPIQNZFKIMOP-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN1CC[C@H](NC/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001483092152 1011678379 /nfs/dbraw/zinc/67/83/79/1011678379.db2.gz CKSSWHVKYNHPQE-CTXXGXLOSA-N 1 3 308.426 -0.179 20 0 DBADHO CCN1CC[C@H](NC/C=C/CNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001483092152 1011678402 /nfs/dbraw/zinc/67/84/02/1011678402.db2.gz 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Cc1[nH]cnc1CC(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001454030342 1011850169 /nfs/dbraw/zinc/85/01/69/1011850169.db2.gz ONKYHAOCQZUNCI-LBPRGKRZSA-N 1 3 307.398 -0.071 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484111962 1012313705 /nfs/dbraw/zinc/31/37/05/1012313705.db2.gz AXBHKVINNGEEOU-OAHLLOKOSA-N 1 3 307.398 -0.084 20 0 DBADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@@H]1CCCN1C ZINC001455365665 1012363653 /nfs/dbraw/zinc/36/36/53/1012363653.db2.gz KBXBECZMUUFMQV-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484346218 1012578174 /nfs/dbraw/zinc/57/81/74/1012578174.db2.gz ADMZROUXJMEARQ-VXGBXAGGSA-N 1 3 307.398 -0.085 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1 ZINC001484414627 1012615092 /nfs/dbraw/zinc/61/50/92/1012615092.db2.gz VWSCYLANLHKQCS-GASCZTMLSA-N 1 3 313.442 -0.273 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001484414627 1012615101 /nfs/dbraw/zinc/61/51/01/1012615101.db2.gz VWSCYLANLHKQCS-GASCZTMLSA-N 1 3 313.442 -0.273 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001456330962 1012657878 /nfs/dbraw/zinc/65/78/78/1012657878.db2.gz ITUJCGABFNPXRY-UHFFFAOYSA-N 1 3 308.426 -0.251 20 0 DBADHO CCN(CC)CC(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001456490196 1012737732 /nfs/dbraw/zinc/73/77/32/1012737732.db2.gz AGNFFYRXSSCWQK-UHFFFAOYSA-N 1 3 322.453 -0.001 20 0 DBADHO CCCN(C)CC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001485107591 1013001445 /nfs/dbraw/zinc/00/14/45/1013001445.db2.gz AEZIJUWTMAADSC-UHFFFAOYSA-N 1 3 313.402 -0.993 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2ccccn2)CC[N@@H+]1C ZINC001496978576 1017158294 /nfs/dbraw/zinc/15/82/94/1017158294.db2.gz GLRUTPLUABGWOK-BPLDGKMQSA-N 1 3 306.410 -0.012 20 0 DBADHO O=C(NC[C@H](O)CNCc1cccnc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001496981226 1017164717 /nfs/dbraw/zinc/16/47/17/1017164717.db2.gz IIMQRCMICUUEBX-HZPDHXFCSA-N 1 3 318.421 -0.010 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496997870 1017183574 /nfs/dbraw/zinc/18/35/74/1017183574.db2.gz KHVFQEPZVRUTAP-HIFRSBDPSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001496997870 1017183585 /nfs/dbraw/zinc/18/35/85/1017183585.db2.gz KHVFQEPZVRUTAP-HIFRSBDPSA-N 1 3 323.441 -0.139 20 0 DBADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@@H](O)C[NH2+]CCCO)C1 ZINC001497053419 1017225719 /nfs/dbraw/zinc/22/57/19/1017225719.db2.gz IVVJNIRUQPPYKQ-SWLSCSKDSA-N 1 3 319.421 -0.352 20 0 DBADHO C[C@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)CN1CC[C@@H](C)C1 ZINC001497911321 1017544155 /nfs/dbraw/zinc/54/41/55/1017544155.db2.gz VKPIMBXLQQRGNP-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001498234958 1017689565 /nfs/dbraw/zinc/68/95/65/1017689565.db2.gz RQTNZABYYIVSPW-CYBMUJFWSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001498234958 1017689569 /nfs/dbraw/zinc/68/95/69/1017689569.db2.gz RQTNZABYYIVSPW-CYBMUJFWSA-N 1 3 310.442 -0.005 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001499950841 1018216286 /nfs/dbraw/zinc/21/62/86/1018216286.db2.gz OIQYLNVXMMBDNV-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCC(=O)N2CCC2)C1 ZINC001499950841 1018216297 /nfs/dbraw/zinc/21/62/97/1018216297.db2.gz OIQYLNVXMMBDNV-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001500683661 1018405751 /nfs/dbraw/zinc/40/57/51/1018405751.db2.gz IXRLMILWGNTAHT-ZBFHGGJFSA-N 1 3 313.442 -0.204 20 0 DBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001500683661 1018405754 /nfs/dbraw/zinc/40/57/54/1018405754.db2.gz IXRLMILWGNTAHT-ZBFHGGJFSA-N 1 3 313.442 -0.204 20 0 DBADHO CN(C)C1(C(=O)NCCNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001575348102 1019540367 /nfs/dbraw/zinc/54/03/67/1019540367.db2.gz ONIXMQXSZJTJMK-UHFFFAOYSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@H]1[C@H](N2CCCC2)CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC001576573307 1019869032 /nfs/dbraw/zinc/86/90/32/1019869032.db2.gz QLNITVHTBSTLJM-QWHCGFSZSA-N 1 3 302.444 -0.305 20 0 DBADHO C[C@@H]1CN(C2CCC2)CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001576797129 1019890654 /nfs/dbraw/zinc/89/06/54/1019890654.db2.gz AHBZCTJBQCZDKF-CYBMUJFWSA-N 1 3 316.471 -0.057 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001506886023 1019982974 /nfs/dbraw/zinc/98/29/74/1019982974.db2.gz FDMNQFJMMVVEAH-JHJVBQTASA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001507131022 1020099970 /nfs/dbraw/zinc/09/99/70/1020099970.db2.gz WLJZUEIRWMDRKO-GXTWGEPZSA-N 1 3 320.397 -0.354 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)CN2CCC([NH3+])CC2)CC1 ZINC001577775790 1020118634 /nfs/dbraw/zinc/11/86/34/1020118634.db2.gz QGBLWCJZOGJHJF-CQSZACIVSA-N 1 3 311.474 -0.448 20 0 DBADHO CCOC(=O)c1nnc(C2CC[NH+](C[C@H](O)CC[NH3+])CC2)[n-]1 ZINC001578065466 1020185906 /nfs/dbraw/zinc/18/59/06/1020185906.db2.gz BJHOSRKFXNCCDT-LLVKDONJSA-N 1 3 311.386 -0.130 20 0 DBADHO CCOC(=O)c1n[n-]c(C2CC[NH+](C[C@H](O)CC[NH3+])CC2)n1 ZINC001578065466 1020185912 /nfs/dbraw/zinc/18/59/12/1020185912.db2.gz BJHOSRKFXNCCDT-LLVKDONJSA-N 1 3 311.386 -0.130 20 0 DBADHO CN(C)CC1CN(C(=O)C[C@@H]2CS(=O)(=O)[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001578412482 1020230850 /nfs/dbraw/zinc/23/08/50/1020230850.db2.gz NTFDBMXMQRRJGL-JHJVBQTASA-N 1 3 315.439 -0.971 20 0 DBADHO CN(C)CCN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC001578418393 1020234985 /nfs/dbraw/zinc/23/49/85/1020234985.db2.gz KRKDBUNOPYDMJC-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO CN(C)CCN1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC1=O ZINC001578418418 1020235084 /nfs/dbraw/zinc/23/50/84/1020235084.db2.gz LYBIWUIRPIDHGB-JTQLQIEISA-N 1 3 321.372 -0.616 20 0 DBADHO CN(C)CCn1nccc1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001578419099 1020235531 /nfs/dbraw/zinc/23/55/31/1020235531.db2.gz OVAIECWLDQZLIX-LBPRGKRZSA-N 1 3 310.402 -0.055 20 0 DBADHO CN(C)[C@H]1C[C@@H](CNC(=O)C2(S(C)(=O)=O)CC[NH2+]CC2)C1 ZINC001578423320 1020237800 /nfs/dbraw/zinc/23/78/00/1020237800.db2.gz BCCYWYNYBULFSU-TXEJJXNPSA-N 1 3 317.455 -0.390 20 0 DBADHO CN1CCC(N(CCO)C(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)CC1 ZINC001578524843 1020256460 /nfs/dbraw/zinc/25/64/60/1020256460.db2.gz KHBVQVABOKCMOH-HNNXBMFYSA-N 1 3 310.398 -0.590 20 0 DBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001578538778 1020263372 /nfs/dbraw/zinc/26/33/72/1020263372.db2.gz SBLPLMDQOFLIKA-HUUCEWRRSA-N 1 3 310.442 -0.350 20 0 DBADHO CN1CCNC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC001578538779 1020264351 /nfs/dbraw/zinc/26/43/51/1020264351.db2.gz SBLPLMDQOFLIKA-LSDHHAIUSA-N 1 3 310.442 -0.350 20 0 DBADHO COCCN(C)CCN1C[C@@H](NC(=O)C[NH2+]C(C)C)CC1=O ZINC001579021672 1020354611 /nfs/dbraw/zinc/35/46/11/1020354611.db2.gz PBDHNDJZSZKMGO-ZDUSSCGKSA-N 1 3 314.430 -0.720 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC001579272266 1020402354 /nfs/dbraw/zinc/40/23/54/1020402354.db2.gz HGVGVDXVJKSSJI-GDBMZVCRSA-N 1 3 307.394 -0.252 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001579272266 1020402360 /nfs/dbraw/zinc/40/23/60/1020402360.db2.gz HGVGVDXVJKSSJI-GDBMZVCRSA-N 1 3 307.394 -0.252 20 0 DBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001507626553 1020453618 /nfs/dbraw/zinc/45/36/18/1020453618.db2.gz LEWNOBMTDOLNIP-HUUCEWRRSA-N 1 3 313.442 -0.274 20 0 DBADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCO ZINC001507705975 1020472025 /nfs/dbraw/zinc/47/20/25/1020472025.db2.gz KCCBMUVWESOJPE-GJZGRUSLSA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO ZINC001507705975 1020472032 /nfs/dbraw/zinc/47/20/32/1020472032.db2.gz KCCBMUVWESOJPE-GJZGRUSLSA-N 1 3 315.458 -0.007 20 0 DBADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)C[C@H](C)N1CCO ZINC001579490137 1020478052 /nfs/dbraw/zinc/47/80/52/1020478052.db2.gz CLBVPQGZLMVFBT-QLFBSQMISA-N 1 3 312.458 -0.429 20 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OSTSSGJJIGZAJB-AWEZNQCLSA-N 1 3 314.430 -0.096 20 0 DBADHO NS(=O)(=O)C1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001580362143 1020698703 /nfs/dbraw/zinc/69/87/03/1020698703.db2.gz PZQZNRRIKHRWEM-LBPRGKRZSA-N 1 3 317.455 -0.102 20 0 DBADHO O=C(N1CC[C@@H]2[C@@H]1CCCN2CCO)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001580584776 1020757169 /nfs/dbraw/zinc/75/71/69/1020757169.db2.gz LRQKFWCQEUOFJJ-QSJFSLAZSA-N 1 3 323.437 -0.330 20 0 DBADHO O=C1C[C@H](NCc2ccccc2-n2cncn2)CN1C1C[NH2+]C1 ZINC001580838290 1020802570 /nfs/dbraw/zinc/80/25/70/1020802570.db2.gz PXTSUCJPQHJJSC-ZDUSSCGKSA-N 1 3 312.377 -0.070 20 0 DBADHO O=C1CCCN1CCCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001580845016 1020804936 /nfs/dbraw/zinc/80/49/36/1020804936.db2.gz CMZRFYYMYPCAGR-MJBXVCDLSA-N 1 3 322.409 -0.134 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001526185554 1022458721 /nfs/dbraw/zinc/45/87/21/1022458721.db2.gz JRGPXBZYFNLMCY-TTZDDIAXSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001526185554 1022458730 /nfs/dbraw/zinc/45/87/30/1022458730.db2.gz JRGPXBZYFNLMCY-TTZDDIAXSA-N 1 3 322.453 -0.149 20 0 DBADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC001566574958 1024254412 /nfs/dbraw/zinc/25/44/12/1024254412.db2.gz PAAYFWCHYUJDMK-QWHCGFSZSA-N 1 3 324.425 -0.429 20 0 DBADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC001566574958 1024254433 /nfs/dbraw/zinc/25/44/33/1024254433.db2.gz PAAYFWCHYUJDMK-QWHCGFSZSA-N 1 3 324.425 -0.429 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001566852873 1024394194 /nfs/dbraw/zinc/39/41/94/1024394194.db2.gz KAIIJKZSNHZDOH-TUAOUCFPSA-N 1 3 320.459 -0.887 20 0 DBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001567023759 1024470000 /nfs/dbraw/zinc/47/00/00/1024470000.db2.gz ZRGWMOONFOWDHW-MNOVXSKESA-N 1 3 310.398 -0.630 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCCNS(C)(=O)=O)C1 ZINC001567101377 1024518060 /nfs/dbraw/zinc/51/80/60/1024518060.db2.gz DBKYNSVRABUCKH-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001567141109 1024543875 /nfs/dbraw/zinc/54/38/75/1024543875.db2.gz VKTQRPNRBIHHNX-CABCVRRESA-N 1 3 313.442 -0.225 20 0 DBADHO CN(CCNCC(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567604638 1024804000 /nfs/dbraw/zinc/80/40/00/1024804000.db2.gz IZXKSDLFMSMVQE-SNVBAGLBSA-N 1 3 324.347 -0.335 20 0 DBADHO CN(CCNCC(=O)NCC(F)(F)F)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001567604638 1024804001 /nfs/dbraw/zinc/80/40/01/1024804001.db2.gz IZXKSDLFMSMVQE-SNVBAGLBSA-N 1 3 324.347 -0.335 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CCc2cnn(C)c2)CCC1 ZINC001568564714 1024944673 /nfs/dbraw/zinc/94/46/73/1024944673.db2.gz YVOJUBCFZKXMFX-AWEZNQCLSA-N 1 3 323.441 -0.486 20 0 DBADHO COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCCN1C(C)C ZINC001568583279 1024955391 /nfs/dbraw/zinc/95/53/91/1024955391.db2.gz RLLDCQBOHCWIHQ-KGLIPLIRSA-N 1 3 301.431 -0.038 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791424 1025017216 /nfs/dbraw/zinc/01/72/16/1025017216.db2.gz IVMDPDXTTBLMIY-QWHCGFSZSA-N 1 3 324.425 -0.429 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001568791424 1025017228 /nfs/dbraw/zinc/01/72/28/1025017228.db2.gz IVMDPDXTTBLMIY-QWHCGFSZSA-N 1 3 324.425 -0.429 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001568791455 1025019600 /nfs/dbraw/zinc/01/96/00/1025019600.db2.gz KCSRZVQMBLXOSP-LBPRGKRZSA-N 1 3 322.409 -0.675 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCN1C(=O)CCC1=O ZINC001568826931 1025027467 /nfs/dbraw/zinc/02/74/67/1025027467.db2.gz ISBHXJWZBUAYDT-ZRMMWKCHSA-N 1 3 322.409 -0.508 20 0 DBADHO C[C@H](CN(C)CCOCCO)NC(=O)C1CC[NH+](C)CC1 ZINC001569136731 1025153911 /nfs/dbraw/zinc/15/39/11/1025153911.db2.gz XTBDSOLXHQABCV-CYBMUJFWSA-N 1 3 301.431 -0.226 20 0 DBADHO O=C(NCC1(N[C@H]2CCC(=O)NC2=O)CC1)C12CC[NH+](CC1)C2 ZINC001569426038 1025250084 /nfs/dbraw/zinc/25/00/84/1025250084.db2.gz COYLUWJPSKOMQR-NSHDSACASA-N 1 3 320.393 -0.874 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(CCOCCO)C2)C1 ZINC001569651442 1025300218 /nfs/dbraw/zinc/30/02/18/1025300218.db2.gz RPODJZGGGYWVOQ-GOEBONIOSA-N 1 3 313.442 -0.082 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@]2(C)CCN(CCOCCO)C2)C1 ZINC001569651442 1025300227 /nfs/dbraw/zinc/30/02/27/1025300227.db2.gz RPODJZGGGYWVOQ-GOEBONIOSA-N 1 3 313.442 -0.082 20 0 DBADHO Cn1cc(CNCCN(CCO)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001569956064 1025440436 /nfs/dbraw/zinc/44/04/36/1025440436.db2.gz KVXUEOZARJDGPN-AWEZNQCLSA-N 1 3 309.414 -0.718 20 0 DBADHO Cn1cc(CNCCN(CCO)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001569956064 1025440439 /nfs/dbraw/zinc/44/04/39/1025440439.db2.gz KVXUEOZARJDGPN-AWEZNQCLSA-N 1 3 309.414 -0.718 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]CCn2cncn2)C1 ZINC001570153673 1025501239 /nfs/dbraw/zinc/50/12/39/1025501239.db2.gz RDRJWBJKHGMFRO-CYBMUJFWSA-N 1 3 319.369 -0.939 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001570153674 1025501315 /nfs/dbraw/zinc/50/13/15/1025501315.db2.gz RDRJWBJKHGMFRO-ZDUSSCGKSA-N 1 3 319.369 -0.939 20 0 DBADHO C[NH+](C)CCC(=O)N1CC2(C1)CCCN(CCOCCO)C2 ZINC001571044018 1025809212 /nfs/dbraw/zinc/80/92/12/1025809212.db2.gz RAYFOAXWNHNALM-UHFFFAOYSA-N 1 3 313.442 -0.129 20 0 DBADHO COCCN(CCC(=O)N1CCN(C)CC1)C1CC[NH2+]CC1 ZINC001573987042 1026685520 /nfs/dbraw/zinc/68/55/20/1026685520.db2.gz XFLKWCBFBKPEJU-UHFFFAOYSA-N 1 3 312.458 -0.149 20 0 DBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC001574001246 1026688239 /nfs/dbraw/zinc/68/82/39/1026688239.db2.gz PHFFZSMPLDFKIB-MCIONIFRSA-N 1 3 324.425 -0.696 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000340827070 138100264 /nfs/dbraw/zinc/10/02/64/138100264.db2.gz PIOAVSUCYQSEAD-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000340827070 138100265 /nfs/dbraw/zinc/10/02/65/138100265.db2.gz PIOAVSUCYQSEAD-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)N1CCN(C)CC1 ZINC000356519160 138143180 /nfs/dbraw/zinc/14/31/80/138143180.db2.gz HEJZNFCZYSEJEC-HNNXBMFYSA-N 1 3 313.490 -0.378 20 0 DBADHO C[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)N1CCN(C)CC1 ZINC000356519160 138143181 /nfs/dbraw/zinc/14/31/81/138143181.db2.gz HEJZNFCZYSEJEC-HNNXBMFYSA-N 1 3 313.490 -0.378 20 0 DBADHO C[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000356519160 138143182 /nfs/dbraw/zinc/14/31/82/138143182.db2.gz HEJZNFCZYSEJEC-HNNXBMFYSA-N 1 3 313.490 -0.378 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)Cn2cccn2)C1 ZINC000562984577 284018785 /nfs/dbraw/zinc/01/87/85/284018785.db2.gz DJACNDSJRXUMSP-KGLIPLIRSA-N 1 3 309.414 -0.579 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@H](O)Cn2cccn2)C1 ZINC000562984577 284018790 /nfs/dbraw/zinc/01/87/90/284018790.db2.gz DJACNDSJRXUMSP-KGLIPLIRSA-N 1 3 309.414 -0.579 20 0 DBADHO N[C@@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563437332 284039798 /nfs/dbraw/zinc/03/97/98/284039798.db2.gz YSMFXBPEJVJOHW-MELADBBJSA-N 1 3 302.378 -0.673 20 0 DBADHO COCCNCC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563884450 284051528 /nfs/dbraw/zinc/05/15/28/284051528.db2.gz UUNVJHOSOGYHAH-SNVBAGLBSA-N 1 3 312.336 -0.825 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H](N2CCCC2)C1 ZINC000564074679 284054430 /nfs/dbraw/zinc/05/44/30/284054430.db2.gz JSXQXALTFIEQFQ-RDBSUJKOSA-N 1 3 306.410 -0.497 20 0 DBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H](N)C2CCOCC2)CC1 ZINC000564923470 284071893 /nfs/dbraw/zinc/07/18/93/284071893.db2.gz QCPZMEODWFSYIL-LSDHHAIUSA-N 1 3 313.442 -0.051 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000565033546 284078491 /nfs/dbraw/zinc/07/84/91/284078491.db2.gz HPAFXEABFZZJKS-IOASZLSFSA-N 1 3 308.426 -0.203 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000565608394 284100379 /nfs/dbraw/zinc/10/03/79/284100379.db2.gz BXWLJLJSYWVPCW-MRVWCRGKSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000565608394 284100380 /nfs/dbraw/zinc/10/03/80/284100380.db2.gz BXWLJLJSYWVPCW-MRVWCRGKSA-N 1 3 321.425 -0.576 20 0 DBADHO COCC[NH2+]C1CCN(C(=O)NC[C@H]2CNCCO2)CC1 ZINC000565896904 284106866 /nfs/dbraw/zinc/10/68/66/284106866.db2.gz AIDWOEWWWYVXOI-CYBMUJFWSA-N 1 3 300.403 -0.615 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)NCCN1CC[NH2+]CC1 ZINC000565891429 284107012 /nfs/dbraw/zinc/10/70/12/284107012.db2.gz ILNBSWHXBJPADQ-WOSRLPQWSA-N 1 3 310.442 -0.460 20 0 DBADHO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CCO1 ZINC000643544171 374260198 /nfs/dbraw/zinc/26/01/98/374260198.db2.gz VRLHGZCGZBHDRN-YPMHNXCESA-N 1 3 312.414 -0.886 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643544117 374260573 /nfs/dbraw/zinc/26/05/73/374260573.db2.gz MFPXRMNZVANUDR-GXTWGEPZSA-N 1 3 308.426 -0.251 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000643545365 374262874 /nfs/dbraw/zinc/26/28/74/374262874.db2.gz GEBSTJGHPZBBJE-HZSPNIEDSA-N 1 3 324.425 -0.742 20 0 DBADHO C[N@@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3CN)C2)C1 ZINC000643571206 374280349 /nfs/dbraw/zinc/28/03/49/374280349.db2.gz RFZCMRXKKYQOJR-XJKSGUPXSA-N 1 3 308.426 -0.120 20 0 DBADHO C[N@H+]1CC[C@@]2(CCN(C(=O)C(=O)N3CCCC[C@H]3CN)C2)C1 ZINC000643571206 374280354 /nfs/dbraw/zinc/28/03/54/374280354.db2.gz RFZCMRXKKYQOJR-XJKSGUPXSA-N 1 3 308.426 -0.120 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000643552751 374269343 /nfs/dbraw/zinc/26/93/43/374269343.db2.gz BJKRUQKPMLZGRU-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1 ZINC000643552830 374269950 /nfs/dbraw/zinc/26/99/50/374269950.db2.gz PFMAIDXPXYVTJH-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@@H]1C[NH3+] ZINC000643593543 374295353 /nfs/dbraw/zinc/29/53/53/374295353.db2.gz AWZYPAPHPGZMEA-ZOBORPQBSA-N 1 3 308.426 -0.408 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000643594212 374299061 /nfs/dbraw/zinc/29/90/61/374299061.db2.gz NGRICEIRUJIPOX-MJBXVCDLSA-N 1 3 308.426 -0.393 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642713062 374433077 /nfs/dbraw/zinc/43/30/77/374433077.db2.gz ZBKQKUWDPZZNFC-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(C)C1=O ZINC000530649083 374425373 /nfs/dbraw/zinc/42/53/73/374425373.db2.gz RUFJBPRSGBHVHE-CYBMUJFWSA-N 1 3 313.446 -0.258 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cn2c(n1)COCC2 ZINC000625285795 374446054 /nfs/dbraw/zinc/44/60/54/374446054.db2.gz GUFBOBPANDZIMH-UHFFFAOYSA-N 1 3 309.414 -0.021 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000237936899 374446509 /nfs/dbraw/zinc/44/65/09/374446509.db2.gz UDIZIWUBWIKGMD-RYUDHWBXSA-N 1 3 314.455 -0.605 20 0 DBADHO Cc1noc(COCC(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000530881168 374450675 /nfs/dbraw/zinc/45/06/75/374450675.db2.gz FGSFFJFXYXIRQL-UHFFFAOYSA-N 1 3 313.402 -0.154 20 0 DBADHO CCS(=O)(=O)N(C)CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530919305 374455442 /nfs/dbraw/zinc/45/54/42/374455442.db2.gz GHTCIJWNAIWIFG-UHFFFAOYSA-N 1 3 322.475 -0.780 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000642756044 374495242 /nfs/dbraw/zinc/49/52/42/374495242.db2.gz LWHDFRWJHOIGGL-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785839 374572661 /nfs/dbraw/zinc/57/26/61/374572661.db2.gz MPDSVWBRCZFYKN-KGLIPLIRSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 ZINC000642785879 374574100 /nfs/dbraw/zinc/57/41/00/374574100.db2.gz ORMKNBIAJODSRO-YUTCNCBUSA-N 1 3 324.425 -0.839 20 0 DBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642786043 374575195 /nfs/dbraw/zinc/57/51/95/374575195.db2.gz YMTZBLWEXZQUNL-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642786053 374575249 /nfs/dbraw/zinc/57/52/49/374575249.db2.gz ZRQPWJDUSOMBHI-KWCYVHTRSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@H]1C[N@H+](CCCNC[C@@H](O)CN2CCOCC2)CCCO1 ZINC000568990411 374627175 /nfs/dbraw/zinc/62/71/75/374627175.db2.gz CWRIDERFWQLBPB-JKSUJKDBSA-N 1 3 315.458 -0.230 20 0 DBADHO C[C@H]1C[N@@H+](CCCNC[C@@H](O)CN2CCOCC2)CCCO1 ZINC000568990411 374627184 /nfs/dbraw/zinc/62/71/84/374627184.db2.gz CWRIDERFWQLBPB-JKSUJKDBSA-N 1 3 315.458 -0.230 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CC1 ZINC000642898764 374948644 /nfs/dbraw/zinc/94/86/44/374948644.db2.gz BMYBWQIRKMOEFM-AWEZNQCLSA-N 1 3 317.393 -0.416 20 0 DBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@@H](C)[NH3+])o1 ZINC000642909561 374989625 /nfs/dbraw/zinc/98/96/25/374989625.db2.gz PDXQBNQRAZQHIM-LLVKDONJSA-N 1 3 310.398 -0.058 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000642918886 375018399 /nfs/dbraw/zinc/01/83/99/375018399.db2.gz GNRKKDNHJBHXJG-AWEZNQCLSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642929827 375042635 /nfs/dbraw/zinc/04/26/35/375042635.db2.gz PBZFGSQFOSYEEN-HZSPNIEDSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)COC[C@H]1CCOC1 ZINC000531118940 375070185 /nfs/dbraw/zinc/07/01/85/375070185.db2.gz JVYPPANGQQXSFX-AWEZNQCLSA-N 1 3 301.431 -0.009 20 0 DBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CN(C)CCO1 ZINC000081044392 375149170 /nfs/dbraw/zinc/14/91/70/375149170.db2.gz HVVMVNBDIOJETJ-OAHLLOKOSA-N 1 3 312.458 -0.199 20 0 DBADHO CC[NH+]1CCC(NC(=O)CN[C@](C)(CCO)COC)CC1 ZINC000085981228 375163832 /nfs/dbraw/zinc/16/38/32/375163832.db2.gz DCOOXXYHFHQRPL-OAHLLOKOSA-N 1 3 301.431 -0.036 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642952023 375220985 /nfs/dbraw/zinc/22/09/85/375220985.db2.gz JOFFWOGUYXWNKM-GFCCVEGCSA-N 1 3 305.382 -0.416 20 0 DBADHO C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635741136 375262852 /nfs/dbraw/zinc/26/28/52/375262852.db2.gz ZODOUUDJUPOFNM-CABCVRRESA-N 1 3 311.426 -0.235 20 0 DBADHO C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635741136 375262854 /nfs/dbraw/zinc/26/28/54/375262854.db2.gz ZODOUUDJUPOFNM-CABCVRRESA-N 1 3 311.426 -0.235 20 0 DBADHO C[N@H+](CCO)C1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635741140 375263303 /nfs/dbraw/zinc/26/33/03/375263303.db2.gz ZODOUUDJUPOFNM-HUUCEWRRSA-N 1 3 311.426 -0.235 20 0 DBADHO C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000635741140 375263305 /nfs/dbraw/zinc/26/33/05/375263305.db2.gz ZODOUUDJUPOFNM-HUUCEWRRSA-N 1 3 311.426 -0.235 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000574907294 375401676 /nfs/dbraw/zinc/40/16/76/375401676.db2.gz RFAOBMFSYVFGTA-ZDUSSCGKSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)c1cc(=O)n(C)cn1 ZINC000636161762 375364497 /nfs/dbraw/zinc/36/44/97/375364497.db2.gz OYBBKHIFRYJEEB-LBPRGKRZSA-N 1 3 309.414 -0.218 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)c1cc(=O)n(C)cn1 ZINC000636161762 375364501 /nfs/dbraw/zinc/36/45/01/375364501.db2.gz OYBBKHIFRYJEEB-LBPRGKRZSA-N 1 3 309.414 -0.218 20 0 DBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642989031 375473149 /nfs/dbraw/zinc/47/31/49/375473149.db2.gz KMGHADDPRAGMAM-CRWXNKLISA-N 1 3 308.426 -0.062 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CC1 ZINC000642960450 375464119 /nfs/dbraw/zinc/46/41/19/375464119.db2.gz SFANEPXYNORFHT-CQSZACIVSA-N 1 3 317.393 -0.416 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC[C@@H]21 ZINC000642960672 375466137 /nfs/dbraw/zinc/46/61/37/375466137.db2.gz WXORYGJFACGSHQ-RDBSUJKOSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC[C@@H]21 ZINC000642960672 375466139 /nfs/dbraw/zinc/46/61/39/375466139.db2.gz WXORYGJFACGSHQ-RDBSUJKOSA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000580075251 375428291 /nfs/dbraw/zinc/42/82/91/375428291.db2.gz ZKJOXCKREVGZPR-QWHCGFSZSA-N 1 3 315.462 -0.820 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000643005774 375474959 /nfs/dbraw/zinc/47/49/59/375474959.db2.gz FQHDTRDIMKOKDV-MCIONIFRSA-N 1 3 324.425 -0.824 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591450636 375714530 /nfs/dbraw/zinc/71/45/30/375714530.db2.gz HTHRULUISPNNPA-TZMCWYRMSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591450636 375714536 /nfs/dbraw/zinc/71/45/36/375714536.db2.gz HTHRULUISPNNPA-TZMCWYRMSA-N 1 3 308.426 -0.121 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)COC3(C)C[NH2+]C3)C2)CC1 ZINC000592965348 375842163 /nfs/dbraw/zinc/84/21/63/375842163.db2.gz XPAYWPFIJDTLOY-OAHLLOKOSA-N 1 3 324.469 -0.008 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3C(F)(F)F)CCN2C1=O ZINC000594878238 375964184 /nfs/dbraw/zinc/96/41/84/375964184.db2.gz UAKPNPJKWCBHRO-SGIHWFKDSA-N 1 3 320.315 -0.845 20 0 DBADHO C[C@H](CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000594874010 375967375 /nfs/dbraw/zinc/96/73/75/375967375.db2.gz ZNNPYBBPPQZFHJ-AAVRWANBSA-N 1 3 308.426 -0.217 20 0 DBADHO CCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000595262066 375981753 /nfs/dbraw/zinc/98/17/53/375981753.db2.gz HWJSJRDKWBKCDR-ZIAGYGMSSA-N 1 3 323.441 -0.186 20 0 DBADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CNC[C@H](C)O3)C2)CC1 ZINC000595926775 376042710 /nfs/dbraw/zinc/04/27/10/376042710.db2.gz RKDZBNFEIPAQGG-JYJNAYRXSA-N 1 3 324.469 -0.010 20 0 DBADHO COC(=O)c1cn([C@H]2CCN(C[C@H]3CCC4(C[NH2+]C4)O3)C2)nn1 ZINC000595894584 376043744 /nfs/dbraw/zinc/04/37/44/376043744.db2.gz XBIWQNOVQMQRCH-NWDGAFQWSA-N 1 3 321.381 -0.168 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595266313 375982061 /nfs/dbraw/zinc/98/20/61/375982061.db2.gz PVKIVNBIOSGDEZ-MQYQWHSLSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595266313 375982068 /nfs/dbraw/zinc/98/20/68/375982068.db2.gz PVKIVNBIOSGDEZ-MQYQWHSLSA-N 1 3 321.425 -0.433 20 0 DBADHO CCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000595262065 375983093 /nfs/dbraw/zinc/98/30/93/375983093.db2.gz HWJSJRDKWBKCDR-UONOGXRCSA-N 1 3 323.441 -0.186 20 0 DBADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595267289 375987643 /nfs/dbraw/zinc/98/76/43/375987643.db2.gz WCPZRRLQHOZRLX-JHJVBQTASA-N 1 3 311.430 -0.332 20 0 DBADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000595267289 375987648 /nfs/dbraw/zinc/98/76/48/375987648.db2.gz WCPZRRLQHOZRLX-JHJVBQTASA-N 1 3 311.430 -0.332 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NCCC3CC[NH2+]CC3)CCN2C1=O ZINC000595271930 375988440 /nfs/dbraw/zinc/98/84/40/375988440.db2.gz QHMSRUZKJAJDEM-STQMWFEESA-N 1 3 309.414 -0.671 20 0 DBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000597225851 376120122 /nfs/dbraw/zinc/12/01/22/376120122.db2.gz KDTXZRZIKQLZBK-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CCN1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000597225851 376120126 /nfs/dbraw/zinc/12/01/26/376120126.db2.gz KDTXZRZIKQLZBK-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)[C@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)C1CC1 ZINC000602477225 376447601 /nfs/dbraw/zinc/44/76/01/376447601.db2.gz ZIZNIWCGOXXDFA-MPBGBICISA-N 1 3 301.456 -0.057 20 0 DBADHO CC(C)[C@H]1CN(C(=O)C2([S@](C)=O)CC[NH2+]CC2)CCN1 ZINC000602487447 376448021 /nfs/dbraw/zinc/44/80/21/376448021.db2.gz MSXVWULAWRCUSM-ODXCJYRJSA-N 1 3 301.456 -0.057 20 0 DBADHO C[NH+](C)[C@@]1(CNC(=O)NCCN2CC[C@@H](O)C2)CCSC1 ZINC000636900559 376590870 /nfs/dbraw/zinc/59/08/70/376590870.db2.gz DRYNOLWPPDVVAC-TZMCWYRMSA-N 1 3 316.471 -0.211 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000337650851 376859122 /nfs/dbraw/zinc/85/91/22/376859122.db2.gz JZMJNMBZTFDYFE-OCCSQVGLSA-N 1 3 302.419 -0.681 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1=O ZINC000365925627 376918949 /nfs/dbraw/zinc/91/89/49/376918949.db2.gz JLUALMUMWVISJC-MCIONIFRSA-N 1 3 308.426 -0.584 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1=O ZINC000365925627 376918956 /nfs/dbraw/zinc/91/89/56/376918956.db2.gz JLUALMUMWVISJC-MCIONIFRSA-N 1 3 308.426 -0.584 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCc1ncn(C)n1 ZINC000531781079 377084577 /nfs/dbraw/zinc/08/45/77/377084577.db2.gz AYPDDQDDRFKWTK-UHFFFAOYSA-N 1 3 311.434 -0.508 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637863800 377605693 /nfs/dbraw/zinc/60/56/93/377605693.db2.gz HDRCRADWAIFOER-HOTGVXAUSA-N 1 3 319.453 -0.453 20 0 DBADHO CN1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)[C@H](CN)C1 ZINC000637864527 377607973 /nfs/dbraw/zinc/60/79/73/377607973.db2.gz STNSUKJVXJCSNY-OAHLLOKOSA-N 1 3 302.422 -0.024 20 0 DBADHO CN1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)[C@@H](CN)C1 ZINC000637864526 377609588 /nfs/dbraw/zinc/60/95/88/377609588.db2.gz STNSUKJVXJCSNY-HNNXBMFYSA-N 1 3 302.422 -0.024 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000638268638 377866357 /nfs/dbraw/zinc/86/63/57/377866357.db2.gz ZZRRUPSORYBHSK-HZPDHXFCSA-N 1 3 320.437 -0.060 20 0 DBADHO COC[C@@]1(C(=O)NCCCN2CCN(C)CC2)CCCC[NH2+]1 ZINC000638136500 377851271 /nfs/dbraw/zinc/85/12/71/377851271.db2.gz HMNAVTCDEPCJPW-MRXNPFEDSA-N 1 3 312.458 -0.101 20 0 DBADHO COC[C@@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCCN1 ZINC000638227008 377860315 /nfs/dbraw/zinc/86/03/15/377860315.db2.gz LSRXJZMJKGWYKB-GOEBONIOSA-N 1 3 310.442 -0.349 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000638438752 377917388 /nfs/dbraw/zinc/91/73/88/377917388.db2.gz ZGZLQUZKJSLWBN-CQSZACIVSA-N 1 3 305.378 -0.234 20 0 DBADHO CCS(=O)(=O)NCC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000638442188 377919168 /nfs/dbraw/zinc/91/91/68/377919168.db2.gz PLOAKIORMDFTQY-UHFFFAOYSA-N 1 3 307.460 -0.249 20 0 DBADHO CC(C)[C@@H]1CNCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638490836 377941616 /nfs/dbraw/zinc/94/16/16/377941616.db2.gz YRYLPLNOQALDMY-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1=O ZINC000638505844 377957642 /nfs/dbraw/zinc/95/76/42/377957642.db2.gz OUQQNUQUURWDSD-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CC1 ZINC000340478236 377996926 /nfs/dbraw/zinc/99/69/26/377996926.db2.gz BHFJYWIMTULEOF-OCCSQVGLSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000340478236 377996933 /nfs/dbraw/zinc/99/69/33/377996933.db2.gz BHFJYWIMTULEOF-OCCSQVGLSA-N 1 3 308.426 -0.060 20 0 DBADHO COC[C@@]1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CCCCN1 ZINC000638754716 378073981 /nfs/dbraw/zinc/07/39/81/378073981.db2.gz DBIPJYGNSKEHLO-UKRRQHHQSA-N 1 3 322.413 -0.413 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000342766791 378114625 /nfs/dbraw/zinc/11/46/25/378114625.db2.gz XKGPOJQARGHQQJ-GXFFZTMASA-N 1 3 303.428 -0.180 20 0 DBADHO NCc1ccc2c(c1)N(C(=O)CNC(=O)[C@@H]1CCC[NH2+]1)CCO2 ZINC000638806814 378146469 /nfs/dbraw/zinc/14/64/69/378146469.db2.gz WQALOUPPRZVXBE-LBPRGKRZSA-N 1 3 318.377 -0.261 20 0 DBADHO CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@@H]1CN2CCC1CC2 ZINC000638854538 378148239 /nfs/dbraw/zinc/14/82/39/378148239.db2.gz RCGPELJGOSJQMN-UONOGXRCSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CN1C1CC1 ZINC000343305618 378331068 /nfs/dbraw/zinc/33/10/68/378331068.db2.gz SAXRFVFGFQYUBC-NEPJUHHUSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000343305618 378331071 /nfs/dbraw/zinc/33/10/71/378331071.db2.gz SAXRFVFGFQYUBC-NEPJUHHUSA-N 1 3 308.426 -0.062 20 0 DBADHO COC(=O)[C@@](C)(O)CN(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000343685411 378358170 /nfs/dbraw/zinc/35/81/70/378358170.db2.gz HULSEFWICVTEGW-HNNXBMFYSA-N 1 3 301.431 -0.132 20 0 DBADHO COC(=O)[C@@](C)(O)CN(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000343685411 378358176 /nfs/dbraw/zinc/35/81/76/378358176.db2.gz HULSEFWICVTEGW-HNNXBMFYSA-N 1 3 301.431 -0.132 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367051782 378400400 /nfs/dbraw/zinc/40/04/00/378400400.db2.gz DCYVMRJBFBLNQY-MRXNPFEDSA-N 1 3 323.485 -0.528 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@H]1C[N@H+]2CCN1CCC2 ZINC000367051782 378400403 /nfs/dbraw/zinc/40/04/03/378400403.db2.gz DCYVMRJBFBLNQY-MRXNPFEDSA-N 1 3 323.485 -0.528 20 0 DBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000366941647 378378978 /nfs/dbraw/zinc/37/89/78/378378978.db2.gz BEYHZURYSGFWJY-AGIUHOORSA-N 1 3 314.405 -0.445 20 0 DBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418956764 284701427 /nfs/dbraw/zinc/70/14/27/284701427.db2.gz ZDJFPOIKURLXOX-MELADBBJSA-N 1 3 310.442 -0.099 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000167407785 378499333 /nfs/dbraw/zinc/49/93/33/378499333.db2.gz AXJRHQDVUZQKQX-AWEZNQCLSA-N 1 3 308.426 -0.247 20 0 DBADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000332188543 378542317 /nfs/dbraw/zinc/54/23/17/378542317.db2.gz XHRUGELUJNRDFR-HZSPNIEDSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000332188543 378542329 /nfs/dbraw/zinc/54/23/29/378542329.db2.gz XHRUGELUJNRDFR-HZSPNIEDSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332550476 378544682 /nfs/dbraw/zinc/54/46/82/378544682.db2.gz JIXOQEBTCPFYJW-MJBXVCDLSA-N 1 3 308.426 -0.060 20 0 DBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)C1 ZINC000332654988 378545792 /nfs/dbraw/zinc/54/57/92/378545792.db2.gz VOHIDJUUWMABQS-MGPQQGTHSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1=O ZINC000353432267 378659498 /nfs/dbraw/zinc/65/94/98/378659498.db2.gz VLUMRIGPXMUCDX-MGPQQGTHSA-N 1 3 308.426 -0.536 20 0 DBADHO CO[C@H](CN)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000353449151 378662326 /nfs/dbraw/zinc/66/23/26/378662326.db2.gz NIILPJSOUXHOBS-RBSFLKMASA-N 1 3 312.458 -0.023 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(N)C(F)(F)F)C1 ZINC000353518193 378667473 /nfs/dbraw/zinc/66/74/73/378667473.db2.gz MWJCVRKHHUFIIW-BDAKNGLRSA-N 1 3 310.320 -0.420 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(N)C(F)(F)F)C1 ZINC000353518193 378667479 /nfs/dbraw/zinc/66/74/79/378667479.db2.gz MWJCVRKHHUFIIW-BDAKNGLRSA-N 1 3 310.320 -0.420 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000627498063 378692935 /nfs/dbraw/zinc/69/29/35/378692935.db2.gz HJSMPJMVEHKOAK-BFHYXJOUSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]1(F)CCNC1 ZINC000367179871 378757451 /nfs/dbraw/zinc/75/74/51/378757451.db2.gz QQOCLIRUHZXDMD-ONGXEEELSA-N 1 3 312.311 -0.360 20 0 DBADHO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000355354153 378808550 /nfs/dbraw/zinc/80/85/50/378808550.db2.gz RKFMCGJLWMOIIU-XHSDSOJGSA-N 1 3 322.453 -0.302 20 0 DBADHO CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000355354153 378808552 /nfs/dbraw/zinc/80/85/52/378808552.db2.gz RKFMCGJLWMOIIU-XHSDSOJGSA-N 1 3 322.453 -0.302 20 0 DBADHO C[C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1C[NH2+]C1 ZINC000357249980 378930315 /nfs/dbraw/zinc/93/03/15/378930315.db2.gz SRGYFMKBCQWAEO-ZDUSSCGKSA-N 1 3 308.426 -0.392 20 0 DBADHO CN1CCN(C(=O)CC2CCN(CCOCC[NH3+])CC2)CC1 ZINC000357087039 378917659 /nfs/dbraw/zinc/91/76/59/378917659.db2.gz VPYCCUQDBOTKPE-UHFFFAOYSA-N 1 3 312.458 -0.162 20 0 DBADHO CC(C)N1CCO[C@@H](CN2CCN(CCOCC[NH3+])CC2)C1 ZINC000357082829 378918053 /nfs/dbraw/zinc/91/80/53/378918053.db2.gz PKCYQTGWTWCJHA-INIZCTEOSA-N 1 3 314.474 -0.312 20 0 DBADHO Cn1c(CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc(=O)n(C)c1=O ZINC000357086278 378918088 /nfs/dbraw/zinc/91/80/88/378918088.db2.gz UNMHHODQZRBTCW-CYBMUJFWSA-N 1 3 306.410 -0.095 20 0 DBADHO Cn1cc(C(=O)NCC2CCN(CCOCC[NH3+])CC2)cn1 ZINC000357091728 378918298 /nfs/dbraw/zinc/91/82/98/378918298.db2.gz WNHILQKKIVCDSZ-UHFFFAOYSA-N 1 3 309.414 -0.163 20 0 DBADHO CC(=O)N1CCN(C(=O)CN2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000358497171 379044608 /nfs/dbraw/zinc/04/46/08/379044608.db2.gz AMCBPTGNNLELIF-UHFFFAOYSA-N 1 3 308.426 -0.247 20 0 DBADHO CCOCCC[N@@H+]1CC[C@@H](Nc2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623976128 379070494 /nfs/dbraw/zinc/07/04/94/379070494.db2.gz ZGABQOYZTXXJDB-WDEREUQCSA-N 1 3 309.418 -0.332 20 0 DBADHO CCOCCC[N@H+]1CC[C@@H](Nc2nc(N)nc(N)n2)[C@@H](C)C1 ZINC000623976128 379070503 /nfs/dbraw/zinc/07/05/03/379070503.db2.gz ZGABQOYZTXXJDB-WDEREUQCSA-N 1 3 309.418 -0.332 20 0 DBADHO COCCNC(=O)CN1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359211523 379135074 /nfs/dbraw/zinc/13/50/74/379135074.db2.gz CXKAQTOBIGBORB-UHFFFAOYSA-N 1 3 312.458 -0.244 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000367365078 379242178 /nfs/dbraw/zinc/24/21/78/379242178.db2.gz KSSLLPXTMUZLTD-AWEZNQCLSA-N 1 3 322.453 -0.001 20 0 DBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278997 379250341 /nfs/dbraw/zinc/25/03/41/379250341.db2.gz MDDWKVLNNHSRBC-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@]1(C(N)=O)CCN(C/C=C\C[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361557395 379367150 /nfs/dbraw/zinc/36/71/50/379367150.db2.gz QQRKHMURLHBALD-SSGMOAHOSA-N 1 3 308.426 -0.063 20 0 DBADHO C[C@@]1(C(N)=O)CCN(C/C=C\C[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361557395 379367157 /nfs/dbraw/zinc/36/71/57/379367157.db2.gz QQRKHMURLHBALD-SSGMOAHOSA-N 1 3 308.426 -0.063 20 0 DBADHO C[C@@]1(C(N)=O)CC[N@@H+](C/C=C\CN2CC[C@](C)(C(N)=O)C2)C1 ZINC000361557395 379367162 /nfs/dbraw/zinc/36/71/62/379367162.db2.gz QQRKHMURLHBALD-SSGMOAHOSA-N 1 3 308.426 -0.063 20 0 DBADHO C[C@@]1(C(N)=O)CC[N@H+](C/C=C\CN2CC[C@](C)(C(N)=O)C2)C1 ZINC000361557395 379367168 /nfs/dbraw/zinc/36/71/68/379367168.db2.gz QQRKHMURLHBALD-SSGMOAHOSA-N 1 3 308.426 -0.063 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)C)CC1=O ZINC000362506706 379444463 /nfs/dbraw/zinc/44/44/63/379444463.db2.gz NAEFGJPOWDXIIZ-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CN1CCN(CCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362556324 379446113 /nfs/dbraw/zinc/44/61/13/379446113.db2.gz SPUIVWOCWRFRMM-CYBMUJFWSA-N 1 3 320.441 -0.146 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000643453674 379644399 /nfs/dbraw/zinc/64/43/99/379644399.db2.gz QYXAUXYHZALKBI-ZIAGYGMSSA-N 1 3 318.487 -0.187 20 0 DBADHO C[C@@H]1CC[NH2+]CC[C@@H]1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000643453711 379646577 /nfs/dbraw/zinc/64/65/77/379646577.db2.gz UXSUHCHTPYQFMD-KGLIPLIRSA-N 1 3 318.487 -0.459 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@@H]2CCC[NH2+]2)cn1 ZINC000178812350 379738690 /nfs/dbraw/zinc/73/86/90/379738690.db2.gz BWJYITAHLAYKEX-LBPRGKRZSA-N 1 3 322.413 -0.359 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000584712649 379839944 /nfs/dbraw/zinc/83/99/44/379839944.db2.gz NXGSLFNFHHUFSH-RDBSUJKOSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCCC2)C[C@H]1C[NH3+] ZINC000633111820 379842274 /nfs/dbraw/zinc/84/22/74/379842274.db2.gz UJDNSDGRKUCTQA-ZIAGYGMSSA-N 1 3 310.442 -0.016 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478962 379922312 /nfs/dbraw/zinc/92/23/12/379922312.db2.gz VZQZCWHRXNUSRQ-CYBMUJFWSA-N 1 3 317.393 -0.450 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419680920 379962704 /nfs/dbraw/zinc/96/27/04/379962704.db2.gz RILLKEHIZLUHLY-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419785078 379969692 /nfs/dbraw/zinc/96/96/92/379969692.db2.gz YHFVKEMQHVEHBF-QWHCGFSZSA-N 1 3 314.430 -0.686 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C[C@H]1[NH3+] ZINC000419576185 379941597 /nfs/dbraw/zinc/94/15/97/379941597.db2.gz BVBVHBINIZNQCR-GYSYKLTISA-N 1 3 314.455 -0.655 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCSC1 ZINC000419593725 379943236 /nfs/dbraw/zinc/94/32/36/379943236.db2.gz YDBRTPTXJZQIRO-BXUZGUMPSA-N 1 3 314.455 -0.607 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)C1 ZINC000419590305 379943664 /nfs/dbraw/zinc/94/36/64/379943664.db2.gz UEASTXMMGCRVBA-FZMZJTMJSA-N 1 3 314.455 -0.640 20 0 DBADHO C[NH2+]C[C@H](C)CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419582527 379943940 /nfs/dbraw/zinc/94/39/40/379943940.db2.gz KGLBIORGMZBTBM-SMDDNHRTSA-N 1 3 316.471 -0.488 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)CCSC1 ZINC000419583474 379943979 /nfs/dbraw/zinc/94/39/79/379943979.db2.gz LEYBEBLKBNWEER-BXUZGUMPSA-N 1 3 314.455 -0.592 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419671625 379950155 /nfs/dbraw/zinc/95/01/55/379950155.db2.gz FFHKQFPWWVFNQM-QWHCGFSZSA-N 1 3 314.430 -0.733 20 0 DBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)CCO1 ZINC000419694251 379953172 /nfs/dbraw/zinc/95/31/72/379953172.db2.gz JZSKPZSXNKPRLH-JSGCOSHPSA-N 1 3 324.425 -0.694 20 0 DBADHO [NH3+]C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCO1 ZINC000419694252 379954232 /nfs/dbraw/zinc/95/42/32/379954232.db2.gz JZSKPZSXNKPRLH-OCCSQVGLSA-N 1 3 324.425 -0.694 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419689633 379954375 /nfs/dbraw/zinc/95/43/75/379954375.db2.gz ARGUAMRYMBBEHS-QWHCGFSZSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C1CC1 ZINC000419701278 379956035 /nfs/dbraw/zinc/95/60/35/379956035.db2.gz ZEQHAAVDXKXBER-OCCSQVGLSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419696212 379956244 /nfs/dbraw/zinc/95/62/44/379956244.db2.gz NVYKUUMFVMOGLS-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C[C@@H]1[NH3+] ZINC000419697435 379956304 /nfs/dbraw/zinc/95/63/04/379956304.db2.gz QPTRPNGQUGDXNF-DYEKYZERSA-N 1 3 308.426 -0.075 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419696211 379956627 /nfs/dbraw/zinc/95/66/27/379956627.db2.gz NVYKUUMFVMOGLS-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419698405 379956863 /nfs/dbraw/zinc/95/68/63/379956863.db2.gz SIJSJKLKOCMFDC-CHWSQXEVSA-N 1 3 308.426 -0.012 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000419718378 379958536 /nfs/dbraw/zinc/95/85/36/379958536.db2.gz ASBGZOXPLMVJSR-MELADBBJSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1cccs1 ZINC000419899063 379991189 /nfs/dbraw/zinc/99/11/89/379991189.db2.gz QGXMRUDGZDDJIG-UHFFFAOYSA-N 1 3 312.439 -0.026 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CC1 ZINC000420061806 380016717 /nfs/dbraw/zinc/01/67/17/380016717.db2.gz LQIVUHWOIHIYTL-UONOGXRCSA-N 1 3 308.426 -0.073 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000420181901 380039022 /nfs/dbraw/zinc/03/90/22/380039022.db2.gz JAGQIYLNGIMMRR-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000571821956 380120787 /nfs/dbraw/zinc/12/07/87/380120787.db2.gz YZMDPUBKTLKWIV-AGIUHOORSA-N 1 3 311.430 -0.330 20 0 DBADHO C[C@@H](C(=O)N1CCOCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262235654 380176386 /nfs/dbraw/zinc/17/63/86/380176386.db2.gz ONDPARSXFAIRHZ-HNNXBMFYSA-N 1 3 324.469 -0.149 20 0 DBADHO CN(C)CC[NH+]1CCC(CNC(=O)C[C@H]2COCCN2)CC1 ZINC000262386228 380190358 /nfs/dbraw/zinc/19/03/58/380190358.db2.gz NQJFLADNANSZDP-HNNXBMFYSA-N 1 3 312.458 -0.245 20 0 DBADHO C[NH+](C)CCN1CCC(CNC(=O)C[C@H]2COCCN2)CC1 ZINC000262386228 380190366 /nfs/dbraw/zinc/19/03/66/380190366.db2.gz NQJFLADNANSZDP-HNNXBMFYSA-N 1 3 312.458 -0.245 20 0 DBADHO NC1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CCOCC1 ZINC000261820078 380157843 /nfs/dbraw/zinc/15/78/43/380157843.db2.gz KCKWSDHCWXRHQS-UHFFFAOYSA-N 1 3 305.382 -0.062 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C[C@H]1[NH3+] ZINC000423367496 380329529 /nfs/dbraw/zinc/32/95/29/380329529.db2.gz MOUDEYWNFDONSJ-TZMCWYRMSA-N 1 3 322.409 -0.025 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C[C@H]1[NH3+] ZINC000423152804 380310738 /nfs/dbraw/zinc/31/07/38/380310738.db2.gz MLLDWRALKKBORC-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423147597 380311571 /nfs/dbraw/zinc/31/15/71/380311571.db2.gz DAWFEJTYVUQHPV-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO O=S(=O)(C[C@@H]1CNCCO1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000313902785 380364004 /nfs/dbraw/zinc/36/40/04/380364004.db2.gz HAXMXNSSJUOSQQ-KBPBESRZSA-N 1 3 317.455 -0.135 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000423504372 380341220 /nfs/dbraw/zinc/34/12/20/380341220.db2.gz LBHVDMXGYVOPML-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@H]1[NH3+] ZINC000643498845 380486237 /nfs/dbraw/zinc/48/62/37/380486237.db2.gz LLVHPEVEQBADNN-MGPQQGTHSA-N 1 3 308.426 -0.121 20 0 DBADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CC[C@H](N2CCCC2)C1 ZINC000643504129 380500255 /nfs/dbraw/zinc/50/02/55/380500255.db2.gz FEKYYHWLVBWWQW-QLFBSQMISA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CCO1 ZINC000643505782 380503356 /nfs/dbraw/zinc/50/33/56/380503356.db2.gz NGAKIAVMHRIKCM-YNEHKIRRSA-N 1 3 312.414 -0.886 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C1 ZINC000643505791 380503604 /nfs/dbraw/zinc/50/36/04/380503604.db2.gz PGMHRXGAWPPRDO-MCIONIFRSA-N 1 3 308.426 -0.251 20 0 DBADHO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCN2CCC[C@@H]2C1 ZINC000643513200 380528537 /nfs/dbraw/zinc/52/85/37/380528537.db2.gz DVACZYRCPPLGHN-RHSMWYFYSA-N 1 3 320.437 -0.105 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@@H]1N(C)C ZINC000643520826 380548258 /nfs/dbraw/zinc/54/82/58/380548258.db2.gz WASZCAWXMBYFLZ-RFGFWPKPSA-N 1 3 308.426 -0.395 20 0 DBADHO CS(=O)(=O)N1CCC(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629560440 380687601 /nfs/dbraw/zinc/68/76/01/380687601.db2.gz YSMHZHRHLPULQL-AWEZNQCLSA-N 1 3 319.471 -0.296 20 0 DBADHO CN(CCOCC[NH3+])Cc1cnc(N2CCN(C)CC2)nc1 ZINC000629665325 380707139 /nfs/dbraw/zinc/70/71/39/380707139.db2.gz UTAMZSYYJBNICG-UHFFFAOYSA-N 1 3 308.430 -0.365 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000629793216 380723346 /nfs/dbraw/zinc/72/33/46/380723346.db2.gz DBBBQVWWXPECIS-UHFFFAOYSA-N 1 3 314.430 -0.637 20 0 DBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000629795674 380723394 /nfs/dbraw/zinc/72/33/94/380723394.db2.gz KUXCYIVRABFLSM-CYBMUJFWSA-N 1 3 312.414 -0.883 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000629796739 380726930 /nfs/dbraw/zinc/72/69/30/380726930.db2.gz SDYHVFUQZVKGEX-XYPHTWIQSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000629805650 380729092 /nfs/dbraw/zinc/72/90/92/380729092.db2.gz BOROCJOMFWVTHF-ZDUSSCGKSA-N 1 3 314.430 -0.637 20 0 DBADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)C[C@H]2CNCCO2)CC[N@@H+]1C ZINC000631923043 381014640 /nfs/dbraw/zinc/01/46/40/381014640.db2.gz LHFQJCAYOWCQGL-FRRDWIJNSA-N 1 3 305.444 -0.281 20 0 DBADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)C[C@H]2CNCCO2)CC[N@H+]1C ZINC000631923043 381014648 /nfs/dbraw/zinc/01/46/48/381014648.db2.gz LHFQJCAYOWCQGL-FRRDWIJNSA-N 1 3 305.444 -0.281 20 0 DBADHO C[C@H]([NH3+])CNC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000642104455 380990035 /nfs/dbraw/zinc/99/00/35/380990035.db2.gz XFMPVSMZZPFQER-GXTWGEPZSA-N 1 3 306.410 -0.261 20 0 DBADHO CN1CCN(CCNC(=O)NCCOCCC[NH3+])CC1(C)C ZINC000627028084 381060547 /nfs/dbraw/zinc/06/05/47/381060547.db2.gz FBOXZAUJCWSATK-UHFFFAOYSA-N 1 3 315.462 -0.323 20 0 DBADHO CCN(CC[NH3+])C(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000626973851 381043284 /nfs/dbraw/zinc/04/32/84/381043284.db2.gz JLCKWCZUQXJTLI-UHFFFAOYSA-N 1 3 313.446 -0.081 20 0 DBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642329805 381103939 /nfs/dbraw/zinc/10/39/39/381103939.db2.gz WWILSVZZZFPZMT-BARDWOONSA-N 1 3 322.453 -0.099 20 0 DBADHO [NH3+]C1(CNC(=O)NC[C@H]2CCCCN2CCO)CCOCC1 ZINC000627148445 381111437 /nfs/dbraw/zinc/11/14/37/381111437.db2.gz DBJFIUIIOGQLTB-CYBMUJFWSA-N 1 3 314.430 -0.360 20 0 DBADHO C[C@H]1CC[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[NH2+]1 ZINC000627209748 381147312 /nfs/dbraw/zinc/14/73/12/381147312.db2.gz IMSNBMDFOWNHID-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)NCCOCCC[NH3+] ZINC000627216075 381150924 /nfs/dbraw/zinc/15/09/24/381150924.db2.gz OIFNDYJXVDTOPD-UHFFFAOYSA-N 1 3 315.462 -0.369 20 0 DBADHO CCN(C)C(=O)[C@H](C)NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000530386038 381309874 /nfs/dbraw/zinc/30/98/74/381309874.db2.gz NKEJEDIDIFVTKJ-ZDUSSCGKSA-N 1 3 315.462 -0.012 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccn(C)n1 ZINC000130570944 381407649 /nfs/dbraw/zinc/40/76/49/381407649.db2.gz ZPKMMHIDHJGNGY-UHFFFAOYSA-N 1 3 310.402 -0.690 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000130676804 381410227 /nfs/dbraw/zinc/41/02/27/381410227.db2.gz MENBQBDMXRAPIT-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2c(c1)nnn2C ZINC000543649231 381412456 /nfs/dbraw/zinc/41/24/56/381412456.db2.gz SWUBLCKBHSMMKT-UHFFFAOYSA-N 1 3 319.413 -0.071 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000545175948 381432098 /nfs/dbraw/zinc/43/20/98/381432098.db2.gz MOKLFOVBCAEJAO-TZMCWYRMSA-N 1 3 300.403 -0.927 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000545175948 381432104 /nfs/dbraw/zinc/43/21/04/381432104.db2.gz MOKLFOVBCAEJAO-TZMCWYRMSA-N 1 3 300.403 -0.927 20 0 DBADHO CN1CCN(CCCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630559476 381444822 /nfs/dbraw/zinc/44/48/22/381444822.db2.gz SRHDYSIISYLYQO-UHFFFAOYSA-N 1 3 322.457 -0.188 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC[NH+](C)C ZINC000133581555 381461319 /nfs/dbraw/zinc/46/13/19/381461319.db2.gz DKSWLFIFHAZDEG-CYBMUJFWSA-N 1 3 313.446 -0.210 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1=O ZINC000245458551 381564612 /nfs/dbraw/zinc/56/46/12/381564612.db2.gz KNMHLYOQEKVOLX-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](C)C2)CC1=O ZINC000245458551 381564617 /nfs/dbraw/zinc/56/46/17/381564617.db2.gz KNMHLYOQEKVOLX-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO CN1CC[C@@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)[C@H]2C1 ZINC000566008250 381634555 /nfs/dbraw/zinc/63/45/55/381634555.db2.gz SGZWHWRXMXCEJM-RDBSUJKOSA-N 1 3 308.426 -0.203 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN1CCN(C(C)(C)COC)CC1 ZINC000566428986 381656030 /nfs/dbraw/zinc/65/60/30/381656030.db2.gz MXYWWPDDZFCUGT-OAHLLOKOSA-N 1 3 317.474 -0.032 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN(C(C)(C)COC)CC1 ZINC000566428986 381656039 /nfs/dbraw/zinc/65/60/39/381656039.db2.gz MXYWWPDDZFCUGT-OAHLLOKOSA-N 1 3 317.474 -0.032 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000566509647 381661445 /nfs/dbraw/zinc/66/14/45/381661445.db2.gz WATKZJJCZTZDBA-JHJVBQTASA-N 1 3 309.414 -0.671 20 0 DBADHO CC(C)(N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000567471268 381697862 /nfs/dbraw/zinc/69/78/62/381697862.db2.gz GGXJHFSAKMMUAX-UHFFFAOYSA-N 1 3 300.384 -0.401 20 0 DBADHO O=C(NC1CNC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000568374116 381757132 /nfs/dbraw/zinc/75/71/32/381757132.db2.gz QEFBWUZXYLIEMX-SMDDNHRTSA-N 1 3 306.410 -0.450 20 0 DBADHO O=C(NC1CNC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000568374116 381757139 /nfs/dbraw/zinc/75/71/39/381757139.db2.gz QEFBWUZXYLIEMX-SMDDNHRTSA-N 1 3 306.410 -0.450 20 0 DBADHO C[C@@H](NC1CC1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000568624460 381766499 /nfs/dbraw/zinc/76/64/99/381766499.db2.gz KPLKWYDPAXYWEE-LLVKDONJSA-N 1 3 322.413 -0.360 20 0 DBADHO CN(CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)C1CC1 ZINC000572952867 381807456 /nfs/dbraw/zinc/80/74/56/381807456.db2.gz MUNUPSRZXVJEHL-UONOGXRCSA-N 1 3 306.414 -0.050 20 0 DBADHO O=C(N[C@@H]1CCCC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000573075141 381811421 /nfs/dbraw/zinc/81/14/21/381811421.db2.gz HWEBUCBULOEFND-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000573104240 381814487 /nfs/dbraw/zinc/81/44/87/381814487.db2.gz CTNLTIVMMFVPCK-KBPBESRZSA-N 1 3 323.441 -0.187 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@H+](C)C1CC1 ZINC000574466553 381864556 /nfs/dbraw/zinc/86/45/56/381864556.db2.gz LFYZHCULUMFNMB-RTXFEEFZSA-N 1 3 309.414 -0.578 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)[N@@H+](C)C1CC1 ZINC000574466553 381864565 /nfs/dbraw/zinc/86/45/65/381864565.db2.gz LFYZHCULUMFNMB-RTXFEEFZSA-N 1 3 309.414 -0.578 20 0 DBADHO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000575794093 381898648 /nfs/dbraw/zinc/89/86/48/381898648.db2.gz IJPTZOSIMXQCHC-MJBXVCDLSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000580551036 381942998 /nfs/dbraw/zinc/94/29/98/381942998.db2.gz SHJSEPWAHKGUHM-XJKSGUPXSA-N 1 3 308.426 -0.249 20 0 DBADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000580557898 381943059 /nfs/dbraw/zinc/94/30/59/381943059.db2.gz MFBYJIXYHZUTNF-OLZOCXBDSA-N 1 3 308.426 -0.025 20 0 DBADHO O=C(NCCNc1ccncc1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000578129543 381994813 /nfs/dbraw/zinc/99/48/13/381994813.db2.gz MXMGFJXCELMSPC-CYBMUJFWSA-N 1 3 315.381 -0.139 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000579221141 382054615 /nfs/dbraw/zinc/05/46/15/382054615.db2.gz DTOIEWSVLNWAAJ-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000579334005 382060525 /nfs/dbraw/zinc/06/05/25/382060525.db2.gz XQVDAHXDGVRZSX-MRXNPFEDSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CNC1 ZINC000579453828 382066634 /nfs/dbraw/zinc/06/66/34/382066634.db2.gz DKBQOFGJZOIDDZ-AWEZNQCLSA-N 1 3 316.405 -0.287 20 0 DBADHO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CNC1 ZINC000579453828 382066639 /nfs/dbraw/zinc/06/66/39/382066639.db2.gz DKBQOFGJZOIDDZ-AWEZNQCLSA-N 1 3 316.405 -0.287 20 0 DBADHO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CNC1 ZINC000579453829 382067764 /nfs/dbraw/zinc/06/77/64/382067764.db2.gz DKBQOFGJZOIDDZ-CQSZACIVSA-N 1 3 316.405 -0.287 20 0 DBADHO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C(=O)NC1CNC1 ZINC000579453829 382067771 /nfs/dbraw/zinc/06/77/71/382067771.db2.gz DKBQOFGJZOIDDZ-CQSZACIVSA-N 1 3 316.405 -0.287 20 0 DBADHO O=C(NCCC[NH2+]C1CC1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000578745560 382032773 /nfs/dbraw/zinc/03/27/73/382032773.db2.gz GOUPRBDYSWHGIS-CQSZACIVSA-N 1 3 308.426 -0.059 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578878109 382038941 /nfs/dbraw/zinc/03/89/41/382038941.db2.gz JKILKZOUASXHBR-BARDWOONSA-N 1 3 320.437 -0.251 20 0 DBADHO O=C(N[C@@H]1CNCCC1(F)F)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000579956905 382103746 /nfs/dbraw/zinc/10/37/46/382103746.db2.gz WCIFKGMCJAXBQE-GXSJLCMTSA-N 1 3 314.340 -0.243 20 0 DBADHO C[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)N(C)Cc1ccccc1 ZINC000580882827 382117028 /nfs/dbraw/zinc/11/70/28/382117028.db2.gz NJFVDHZOXTUELL-LBPRGKRZSA-N 1 3 304.394 -0.289 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1=O ZINC000579478966 382071653 /nfs/dbraw/zinc/07/16/53/382071653.db2.gz GEITUHNRTZDIKH-PBHICJAKSA-N 1 3 322.453 -0.001 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(C[C@H](C)O)C[C@@H]1C ZINC000581556109 382157232 /nfs/dbraw/zinc/15/72/32/382157232.db2.gz QVUVVDOVHSVDOJ-KKUMJFAQSA-N 1 3 303.447 -0.688 20 0 DBADHO Cn1c(CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(=O)n(C)c1=O ZINC000581726743 382173262 /nfs/dbraw/zinc/17/32/62/382173262.db2.gz CVYDCJQMIQYVQE-STQMWFEESA-N 1 3 306.410 -0.095 20 0 DBADHO C[C@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCCO1 ZINC000627297027 382358188 /nfs/dbraw/zinc/35/81/88/382358188.db2.gz ZTIFRODARLBXQR-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO O=C([C@H]1CN2CCN1CCC2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620481813 382448343 /nfs/dbraw/zinc/44/83/43/382448343.db2.gz XOABKLFYVFGYCG-HZPDHXFCSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C([C@H]1CN2CCN1CCC2)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620481813 382448351 /nfs/dbraw/zinc/44/83/51/382448351.db2.gz XOABKLFYVFGYCG-HZPDHXFCSA-N 1 3 322.453 -0.566 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1C ZINC000627305153 382445735 /nfs/dbraw/zinc/44/57/35/382445735.db2.gz PIECJMGNQIRMHC-AGIUHOORSA-N 1 3 308.426 -0.014 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622031228 382538092 /nfs/dbraw/zinc/53/80/92/382538092.db2.gz JIJBKMQIRUQLFX-HEHGZKQESA-N 1 3 308.426 -0.121 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627483180 382632476 /nfs/dbraw/zinc/63/24/76/382632476.db2.gz AHQFBAHCDWKPJJ-CYBMUJFWSA-N 1 3 314.430 -0.591 20 0 DBADHO CN(c1nc(N)nc(N)n1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000623964640 382592384 /nfs/dbraw/zinc/59/23/84/382592384.db2.gz MMSOITBWECRENZ-NSHDSACASA-N 1 3 306.418 -0.699 20 0 DBADHO CN(c1nc(N)nc(N)n1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000623964640 382592389 /nfs/dbraw/zinc/59/23/89/382592389.db2.gz MMSOITBWECRENZ-NSHDSACASA-N 1 3 306.418 -0.699 20 0 DBADHO CN(c1nc(N)nc(N)n1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000623964640 382592395 /nfs/dbraw/zinc/59/23/95/382592395.db2.gz MMSOITBWECRENZ-NSHDSACASA-N 1 3 306.418 -0.699 20 0 DBADHO C[NH+](C)CCOc1cc(CNc2nc(N)nc(N)n2)ccn1 ZINC000624073957 382599477 /nfs/dbraw/zinc/59/94/77/382599477.db2.gz MKZAGJUPQHVPKK-UHFFFAOYSA-N 1 3 304.358 -0.934 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)NCCOCCC[NH3+])CCC1 ZINC000627488773 382633563 /nfs/dbraw/zinc/63/35/63/382633563.db2.gz IMUVVRMSPBPRAW-UHFFFAOYSA-N 1 3 314.430 -0.589 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627361821 382618294 /nfs/dbraw/zinc/61/82/94/382618294.db2.gz ZXQIFOBRILNOOE-OLZOCXBDSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCOCC1)N(C)C1CC1 ZINC000627372234 382619678 /nfs/dbraw/zinc/61/96/78/382619678.db2.gz GRXSQCUGMSZAHM-LLVKDONJSA-N 1 3 312.414 -0.791 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627428723 382625868 /nfs/dbraw/zinc/62/58/68/382625868.db2.gz MXDVYDKOFLTWNW-CHWSQXEVSA-N 1 3 308.426 -0.012 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627440676 382626902 /nfs/dbraw/zinc/62/69/02/382626902.db2.gz QXGXSYDSHYUPKY-ZDUSSCGKSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627445928 382627929 /nfs/dbraw/zinc/62/79/29/382627929.db2.gz BGZOKHSJFKKIFC-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627452715 382628002 /nfs/dbraw/zinc/62/80/02/382628002.db2.gz RTCVCKCQQNOLHW-LBPRGKRZSA-N 1 3 312.414 -0.837 20 0 DBADHO COCC1(CNS(=O)(=O)CCCN(C)C)CC[NH2+]CC1 ZINC000631937778 382655888 /nfs/dbraw/zinc/65/58/88/382655888.db2.gz ZTUTTWPNUICYCG-UHFFFAOYSA-N 1 3 307.460 -0.126 20 0 DBADHO C[NH+](C)CCCS(=O)(=O)NC[C@H](O)CN1CCCCC1 ZINC000632001851 382658470 /nfs/dbraw/zinc/65/84/70/382658470.db2.gz FBKLMAUAXXIBLO-ZDUSSCGKSA-N 1 3 307.460 -0.296 20 0 DBADHO CN(C)CCn1cc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cn1 ZINC000632774672 382678236 /nfs/dbraw/zinc/67/82/36/382678236.db2.gz PHCWXJUCTLDZAF-INIZCTEOSA-N 1 3 323.441 -0.027 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633080307 382681080 /nfs/dbraw/zinc/68/10/80/382681080.db2.gz NGHNSJTXRIGOJF-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN(C)C2)C[C@H]1C[NH3+] ZINC000633080673 382681088 /nfs/dbraw/zinc/68/10/88/382681088.db2.gz ROBHVTUYOBBGGD-HZSPNIEDSA-N 1 3 310.442 -0.160 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)C[C@H]1C[NH3+] ZINC000633094960 382682071 /nfs/dbraw/zinc/68/20/71/382682071.db2.gz NQUQBWIJSCPGSX-XJFOESAGSA-N 1 3 310.442 -0.162 20 0 DBADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC000633094877 382682223 /nfs/dbraw/zinc/68/22/23/382682223.db2.gz MVEWLWIWCSSCIB-IGQOVBAYSA-N 1 3 308.426 -0.110 20 0 DBADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)C1 ZINC000633115624 382683476 /nfs/dbraw/zinc/68/34/76/382683476.db2.gz VVDPOVOOBAUTRB-XEZPLFJOSA-N 1 3 306.410 -0.497 20 0 DBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000633117150 382683706 /nfs/dbraw/zinc/68/37/06/382683706.db2.gz ZZFZOWGBUDENSJ-OLZOCXBDSA-N 1 3 317.393 -0.322 20 0 DBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000633117149 382683732 /nfs/dbraw/zinc/68/37/32/382683732.db2.gz ZZFZOWGBUDENSJ-CHWSQXEVSA-N 1 3 317.393 -0.322 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000627507395 382635143 /nfs/dbraw/zinc/63/51/43/382635143.db2.gz QLLAVEVUSRJDBV-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1=O ZINC000627650655 382639319 /nfs/dbraw/zinc/63/93/19/382639319.db2.gz PSGLIWWXPIIAJH-RMRHIDDWSA-N 1 3 308.426 -0.585 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1=O ZINC000627650654 382639357 /nfs/dbraw/zinc/63/93/57/382639357.db2.gz PSGLIWWXPIIAJH-CXTNEJHOSA-N 1 3 308.426 -0.585 20 0 DBADHO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000357296275 220707263 /nfs/dbraw/zinc/70/72/63/220707263.db2.gz LAIOOAOTBXJARG-CXTNEJHOSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]([NH2+]C1CC1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000449119252 533331748 /nfs/dbraw/zinc/33/17/48/533331748.db2.gz XPTOWKLGWZZATM-CYBMUJFWSA-N 1 3 308.426 -0.107 20 0 DBADHO CO[C@@H]1CN(CCCCC[N@@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000451756158 533474400 /nfs/dbraw/zinc/47/44/00/533474400.db2.gz GKALYGHKUDDQMG-KBUPBQIOSA-N 1 3 302.415 -0.460 20 0 DBADHO CO[C@@H]1CN(CCCCC[N@H+]2C[C@@H](O)[C@H](OC)C2)C[C@H]1O ZINC000451756158 533474403 /nfs/dbraw/zinc/47/44/03/533474403.db2.gz GKALYGHKUDDQMG-KBUPBQIOSA-N 1 3 302.415 -0.460 20 0 DBADHO CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CNCCO2)CC1 ZINC000649351678 392049197 /nfs/dbraw/zinc/04/91/97/392049197.db2.gz JEEQPMGCCJEBSK-CQSZACIVSA-N 1 3 305.382 -0.240 20 0 DBADHO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[C@H]1[NH3+] ZINC000649359129 392056975 /nfs/dbraw/zinc/05/69/75/392056975.db2.gz OJROTARSZWMXOO-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO C[N@@H+]1CCC[C@@H](N2CCN(CCC(=O)N3CCNCC3)CC2)C1 ZINC000649414786 392067264 /nfs/dbraw/zinc/06/72/64/392067264.db2.gz XQHZPMXDUKRDKH-MRXNPFEDSA-N 1 3 323.485 -0.480 20 0 DBADHO C[N@H+]1CCC[C@@H](N2CCN(CCC(=O)N3CCNCC3)CC2)C1 ZINC000649414786 392067269 /nfs/dbraw/zinc/06/72/69/392067269.db2.gz XQHZPMXDUKRDKH-MRXNPFEDSA-N 1 3 323.485 -0.480 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000649410625 392067659 /nfs/dbraw/zinc/06/76/59/392067659.db2.gz KOWDAZSXDMIXNI-WFASDCNBSA-N 1 3 310.442 -0.223 20 0 DBADHO CC1(OCC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])CNC1 ZINC000648128471 392356658 /nfs/dbraw/zinc/35/66/58/392356658.db2.gz VCVTYRBTFNQEJC-GFCCVEGCSA-N 1 3 312.414 -0.789 20 0 DBADHO CC1(OCC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])CNC1 ZINC000648128472 392356716 /nfs/dbraw/zinc/35/67/16/392356716.db2.gz VCVTYRBTFNQEJC-LBPRGKRZSA-N 1 3 312.414 -0.789 20 0 DBADHO O=C([C@@H]1CNCCC1(F)F)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000648136346 392359284 /nfs/dbraw/zinc/35/92/84/392359284.db2.gz ZXDHKFLLDMSIIH-RYUDHWBXSA-N 1 3 302.369 -0.263 20 0 DBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000648153020 392442975 /nfs/dbraw/zinc/44/29/75/392442975.db2.gz ZGDKOEINCGDTIX-HNNXBMFYSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)COC2(C)CNC2)CC1 ZINC000648153020 392442980 /nfs/dbraw/zinc/44/29/80/392442980.db2.gz ZGDKOEINCGDTIX-HNNXBMFYSA-N 1 3 324.469 -0.007 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419671253 392477548 /nfs/dbraw/zinc/47/75/48/392477548.db2.gz DOWXNIRGBWWSSH-STQMWFEESA-N 1 3 314.430 -0.543 20 0 DBADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000643895040 392582445 /nfs/dbraw/zinc/58/24/45/392582445.db2.gz QKYOWIHJNOUSCB-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO CN1CCN(C[C@H](O)CNC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000647517793 392632091 /nfs/dbraw/zinc/63/20/91/392632091.db2.gz DPAOHFVSUZFLJE-HZPDHXFCSA-N 1 3 314.474 -0.969 20 0 DBADHO CN1CCN(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCCCC2)CC1 ZINC000647517793 392632094 /nfs/dbraw/zinc/63/20/94/392632094.db2.gz DPAOHFVSUZFLJE-HZPDHXFCSA-N 1 3 314.474 -0.969 20 0 DBADHO CO[C@H](CN)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000353449153 392950225 /nfs/dbraw/zinc/95/02/25/392950225.db2.gz NIILPJSOUXHOBS-SOUVJXGZSA-N 1 3 312.458 -0.023 20 0 DBADHO CC[C@@H]([NH3+])CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426534 393043867 /nfs/dbraw/zinc/04/38/67/393043867.db2.gz HAQJYPWTMQMNTA-CHWSQXEVSA-N 1 3 313.446 -0.034 20 0 DBADHO COCCN(C)CCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417448653 393046961 /nfs/dbraw/zinc/04/69/61/393046961.db2.gz VUECWEBVYWWMEI-UHFFFAOYSA-N 1 3 301.435 -0.841 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417566798 393061639 /nfs/dbraw/zinc/06/16/39/393061639.db2.gz NCZFJNPZNYWGHE-KBPBESRZSA-N 1 3 313.446 -0.700 20 0 DBADHO COCCCN(C)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417759231 393070616 /nfs/dbraw/zinc/07/06/16/393070616.db2.gz WBMDDTFUMYHHSB-ZDUSSCGKSA-N 1 3 301.435 -0.843 20 0 DBADHO CN(C)[C@]1(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CCSC1 ZINC000351573991 393286879 /nfs/dbraw/zinc/28/68/79/393286879.db2.gz UMIQPGHVTNYYKV-RISCZKNCSA-N 1 3 314.455 -0.592 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000331778054 393325716 /nfs/dbraw/zinc/32/57/16/393325716.db2.gz HCLWQSPUPGHGPJ-KFWWJZLASA-N 1 3 322.453 -0.005 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN)CC[C@@H]21 ZINC000332187609 393328100 /nfs/dbraw/zinc/32/81/00/393328100.db2.gz YMVFNHFYHUWMAE-RDBSUJKOSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN)CC[C@@H]21 ZINC000332187609 393328107 /nfs/dbraw/zinc/32/81/07/393328107.db2.gz YMVFNHFYHUWMAE-RDBSUJKOSA-N 1 3 308.426 -0.121 20 0 DBADHO COCCN(C)CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000355232996 393434548 /nfs/dbraw/zinc/43/45/48/393434548.db2.gz RERCXPQZAAJXEL-UHFFFAOYSA-N 1 3 302.419 -0.680 20 0 DBADHO COC[C@H](O)CN(C)[C@H]1CCC[N@H+](C[C@@H](O)COC)CC1 ZINC000128494755 393511289 /nfs/dbraw/zinc/51/12/89/393511289.db2.gz YVFMTJRNAWQERU-RRFJBIMHSA-N 1 3 304.431 -0.213 20 0 DBADHO COC[C@H](O)CN(C)[C@H]1CCC[N@@H+](C[C@@H](O)COC)CC1 ZINC000128494755 393511291 /nfs/dbraw/zinc/51/12/91/393511291.db2.gz YVFMTJRNAWQERU-RRFJBIMHSA-N 1 3 304.431 -0.213 20 0 DBADHO COCCNCCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000418846947 393514489 /nfs/dbraw/zinc/51/44/89/393514489.db2.gz ZGRMBMQPKJAZSW-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO CN(C)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000418857320 393518474 /nfs/dbraw/zinc/51/84/74/393518474.db2.gz YUJKXWSYYLXMAW-GJZGRUSLSA-N 1 3 318.421 -0.165 20 0 DBADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418857605 393520689 /nfs/dbraw/zinc/52/06/89/393520689.db2.gz ZJVINORSGHVJQH-HUUCEWRRSA-N 1 3 318.421 -0.246 20 0 DBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000418874973 393525056 /nfs/dbraw/zinc/52/50/56/393525056.db2.gz JRIDQHWIOWMXFV-CABCVRRESA-N 1 3 318.421 -0.165 20 0 DBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419034519 393534822 /nfs/dbraw/zinc/53/48/22/393534822.db2.gz ZWJJASJAYFULOR-QWHCGFSZSA-N 1 3 314.430 -0.997 20 0 DBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419230658 393555720 /nfs/dbraw/zinc/55/57/20/393555720.db2.gz QDDUYQGQYSJYKT-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000419290039 393564097 /nfs/dbraw/zinc/56/40/97/393564097.db2.gz UYXXTSVIRZRIFW-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000419406841 393573231 /nfs/dbraw/zinc/57/32/31/393573231.db2.gz JJKUPCGWQSKUOK-AWEZNQCLSA-N 1 3 310.442 -0.050 20 0 DBADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000419410128 393574367 /nfs/dbraw/zinc/57/43/67/393574367.db2.gz OFSOXCYXYHYIHQ-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N(C)CC[NH3+])Cc2ccccc2C1 ZINC000419375729 393568842 /nfs/dbraw/zinc/56/88/42/393568842.db2.gz QQHIYUKXFKYJHO-UHFFFAOYSA-N 1 3 318.421 -0.381 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419403418 393571825 /nfs/dbraw/zinc/57/18/25/393571825.db2.gz DOWGNIYOAZUULT-MCIONIFRSA-N 1 3 310.442 -0.051 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419443623 393579073 /nfs/dbraw/zinc/57/90/73/393579073.db2.gz BMYWPPQHXCBEMB-QWHCGFSZSA-N 1 3 314.430 -0.815 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000419447463 393579896 /nfs/dbraw/zinc/57/98/96/393579896.db2.gz HGVCHGSKGAJYQL-OLZOCXBDSA-N 1 3 314.430 -0.733 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419447462 393580085 /nfs/dbraw/zinc/58/00/85/393580085.db2.gz HGVCHGSKGAJYQL-CHWSQXEVSA-N 1 3 314.430 -0.733 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419455973 393582062 /nfs/dbraw/zinc/58/20/62/393582062.db2.gz YMHORXPKVFQCKV-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419582526 393590992 /nfs/dbraw/zinc/59/09/92/393590992.db2.gz KGLBIORGMZBTBM-RISCZKNCSA-N 1 3 316.471 -0.488 20 0 DBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419590587 393591143 /nfs/dbraw/zinc/59/11/43/393591143.db2.gz UILXXDSYVABUBH-RISCZKNCSA-N 1 3 316.471 -0.361 20 0 DBADHO COCCCN(C)CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424140438 393629472 /nfs/dbraw/zinc/62/94/72/393629472.db2.gz FZYCHEFAKJXOSH-ZDUSSCGKSA-N 1 3 324.429 -0.099 20 0 DBADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](O)CN(C)C)c1 ZINC000424436468 393639575 /nfs/dbraw/zinc/63/95/75/393639575.db2.gz HJEHEPGVRTZGDP-CYBMUJFWSA-N 1 3 308.382 -0.569 20 0 DBADHO COCCN(C)CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424455949 393642014 /nfs/dbraw/zinc/64/20/14/393642014.db2.gz VCSBRRCUWBQBMO-UONOGXRCSA-N 1 3 324.429 -0.566 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953424 393735440 /nfs/dbraw/zinc/73/54/40/393735440.db2.gz SVIQEIJALYUVEC-KGLIPLIRSA-N 1 3 308.426 -0.155 20 0 DBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3COCCN3)C2)CC1 ZINC000645978140 393738012 /nfs/dbraw/zinc/73/80/12/393738012.db2.gz UEALQRNNRLPEIL-KGLIPLIRSA-N 1 3 310.442 -0.350 20 0 DBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@H]3COCCN3)C2)CC1 ZINC000645978140 393738016 /nfs/dbraw/zinc/73/80/16/393738016.db2.gz UEALQRNNRLPEIL-KGLIPLIRSA-N 1 3 310.442 -0.350 20 0 DBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@H]3COCCN3)C2)CC1 ZINC000645978140 393738018 /nfs/dbraw/zinc/73/80/18/393738018.db2.gz UEALQRNNRLPEIL-KGLIPLIRSA-N 1 3 310.442 -0.350 20 0 DBADHO CN(C)CCn1cc(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cn1 ZINC000645803422 393710724 /nfs/dbraw/zinc/71/07/24/393710724.db2.gz YXTLHIVSMSCXOO-LBPRGKRZSA-N 1 3 308.386 -0.749 20 0 DBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000633038812 545847539 /nfs/dbraw/zinc/84/75/39/545847539.db2.gz AKSIOASRVZCEAQ-GHMZBOCLSA-N 1 3 308.386 -0.669 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000332561402 287218583 /nfs/dbraw/zinc/21/85/83/287218583.db2.gz QUIOQYJNHVTBNI-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000662660726 411644506 /nfs/dbraw/zinc/64/45/06/411644506.db2.gz YRMILZMVXHNZPQ-ZDUSSCGKSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)CN1CCN(C)CC1 ZINC000653124580 411647393 /nfs/dbraw/zinc/64/73/93/411647393.db2.gz ASGCIZICDYXBKL-DZKIICNBSA-N 1 3 310.442 -0.778 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000642801246 411663142 /nfs/dbraw/zinc/66/31/42/411663142.db2.gz NHHFHAWDFLJZDE-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CCO[C@@H]1CN(C(=O)CCN2CCN(CC)CC2)C[C@H]1C[NH3+] ZINC000653247288 411676938 /nfs/dbraw/zinc/67/69/38/411676938.db2.gz UXPPDXGZUDYIFJ-HUUCEWRRSA-N 1 3 312.458 -0.164 20 0 DBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655417418 411678708 /nfs/dbraw/zinc/67/87/08/411678708.db2.gz KMEHIABQHOWESO-HZMBPMFUSA-N 1 3 305.386 -0.458 20 0 DBADHO COCCC[N@H+](C)CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664216750 411690894 /nfs/dbraw/zinc/69/08/94/411690894.db2.gz AANMATPHJNMCJF-STQMWFEESA-N 1 3 302.419 -0.729 20 0 DBADHO COCCC[N@@H+](C)CCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664216750 411690897 /nfs/dbraw/zinc/69/08/97/411690897.db2.gz AANMATPHJNMCJF-STQMWFEESA-N 1 3 302.419 -0.729 20 0 DBADHO C[NH+](C)CCN1CCN(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1=O ZINC000650877335 411696677 /nfs/dbraw/zinc/69/66/77/411696677.db2.gz SJTWBNFWHPSHEE-CYBMUJFWSA-N 1 3 323.441 -0.362 20 0 DBADHO NC[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(F)(F)F ZINC000655519835 411797493 /nfs/dbraw/zinc/79/74/93/411797493.db2.gz XYTYBRMUCZZIDN-APPZFPTMSA-N 1 3 306.292 -0.178 20 0 DBADHO CCC[NH2+]CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622768 411806370 /nfs/dbraw/zinc/80/63/70/411806370.db2.gz SSINZQFIDJXVAZ-UHFFFAOYSA-N 1 3 310.402 -0.501 20 0 DBADHO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652621224 411806742 /nfs/dbraw/zinc/80/67/42/411806742.db2.gz DBAHUTXNVBLVER-GFCCVEGCSA-N 1 3 324.429 -0.127 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)cn1 ZINC000652624634 411807337 /nfs/dbraw/zinc/80/73/37/411807337.db2.gz LXEAWLAMLGVDSB-LBPRGKRZSA-N 1 3 322.413 -0.359 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cn1 ZINC000652623716 411808647 /nfs/dbraw/zinc/80/86/47/411808647.db2.gz PRYXSYKVAZITMP-UHFFFAOYSA-N 1 3 308.386 -0.669 20 0 DBADHO CC[NH2+]CCCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659505416 411826876 /nfs/dbraw/zinc/82/68/76/411826876.db2.gz MPZVFKKUWIERFP-UHFFFAOYSA-N 1 3 301.435 -0.353 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000659513817 411827557 /nfs/dbraw/zinc/82/75/57/411827557.db2.gz KAHWUVCTIJLLNE-ZDUSSCGKSA-N 1 3 313.446 -0.353 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000659507908 411828377 /nfs/dbraw/zinc/82/83/77/411828377.db2.gz LZYWQFFRPLWDAI-CYBMUJFWSA-N 1 3 313.446 -0.210 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])n1 ZINC000659524236 411830194 /nfs/dbraw/zinc/83/01/94/411830194.db2.gz SLLXGKSEQMXPMI-ONGXEEELSA-N 1 3 308.386 -0.042 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000659638614 411854835 /nfs/dbraw/zinc/85/48/35/411854835.db2.gz UFGOFDLHNIMRHR-STQMWFEESA-N 1 3 311.430 -0.458 20 0 DBADHO CC(C)[NH+]1CCC(NC(=O)CN2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000653826433 411909200 /nfs/dbraw/zinc/90/92/00/411909200.db2.gz CAXHYWDQNQFSNM-JKSUJKDBSA-N 1 3 324.469 -0.274 20 0 DBADHO O=C(CN1CCN2C[C@H](O)C[C@H]2C1)NC1CC[NH+](C2CC2)CC1 ZINC000653826040 411909395 /nfs/dbraw/zinc/90/93/95/411909395.db2.gz RZZWFDCXHLATST-JKSUJKDBSA-N 1 3 322.453 -0.520 20 0 DBADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654382258 411933872 /nfs/dbraw/zinc/93/38/72/411933872.db2.gz SGLWDXBTOMVLLC-AEGPPILISA-N 1 3 308.426 -0.069 20 0 DBADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654382258 411933875 /nfs/dbraw/zinc/93/38/75/411933875.db2.gz SGLWDXBTOMVLLC-AEGPPILISA-N 1 3 308.426 -0.069 20 0 DBADHO CN(C)CCn1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)n1 ZINC000654406856 411935425 /nfs/dbraw/zinc/93/54/25/411935425.db2.gz AGFVJKBFFOXBCD-UHFFFAOYSA-N 1 3 322.457 -0.236 20 0 DBADHO C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000653047788 411873292 /nfs/dbraw/zinc/87/32/92/411873292.db2.gz UCSXYKSDLJFKHZ-CYBMUJFWSA-N 1 3 306.414 -0.291 20 0 DBADHO O=C(Nc1ccc(N2CCNCC2)cn1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653047838 411873405 /nfs/dbraw/zinc/87/34/05/411873405.db2.gz YWYPGNOBEWYECL-LRDDRELGSA-N 1 3 317.393 -0.334 20 0 DBADHO COC[C@]1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC[NH2+]1 ZINC000655967018 411982503 /nfs/dbraw/zinc/98/25/03/411982503.db2.gz KKQJKQMSGDJHEN-GZBFAFLISA-N 1 3 312.414 -0.785 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656025107 411988955 /nfs/dbraw/zinc/98/89/55/411988955.db2.gz YJUSZDRYSBDQAQ-HZSPNIEDSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656019569 411989028 /nfs/dbraw/zinc/98/90/28/411989028.db2.gz GJTCRZPGCUMNCY-HZSPNIEDSA-N 1 3 308.426 -0.012 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028368 411989907 /nfs/dbraw/zinc/98/99/07/411989907.db2.gz KNQBNVPANLVWEN-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656029407 411990790 /nfs/dbraw/zinc/99/07/90/411990790.db2.gz ZNAWSTUJDFEXJP-LJISPDSOSA-N 1 3 320.437 -0.203 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCC(=O)N1 ZINC000656289662 412000564 /nfs/dbraw/zinc/00/05/64/412000564.db2.gz HANSBSIXKAXGED-OAHLLOKOSA-N 1 3 313.446 -0.210 20 0 DBADHO C[C@H](CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[NH+](C)C ZINC000658426772 412054887 /nfs/dbraw/zinc/05/48/87/412054887.db2.gz YIZIGHUYVIZDAI-GFCCVEGCSA-N 1 3 324.429 -0.160 20 0 DBADHO NC[C@H]1c2ccccc2CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000659324454 412086047 /nfs/dbraw/zinc/08/60/47/412086047.db2.gz DVSGYALRGJJESQ-AWEZNQCLSA-N 1 3 300.366 -0.065 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000659447454 412088094 /nfs/dbraw/zinc/08/80/94/412088094.db2.gz DXMSVUGWXMGQIO-OLZOCXBDSA-N 1 3 313.446 -0.164 20 0 DBADHO C[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)CN1CCN(C)CC1 ZINC000659458999 412088933 /nfs/dbraw/zinc/08/89/33/412088933.db2.gz BTIYHTTYIUJMNO-HLIUYOAVSA-N 1 3 309.458 -0.079 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000659508023 412090269 /nfs/dbraw/zinc/09/02/69/412090269.db2.gz PXIGNRBWSUPQFO-UHFFFAOYSA-N 1 3 313.446 -0.353 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[NH2+]1 ZINC000659538686 412092138 /nfs/dbraw/zinc/09/21/38/412092138.db2.gz BACGASPKLRIKTC-CHWSQXEVSA-N 1 3 313.446 -0.212 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000659556443 412094287 /nfs/dbraw/zinc/09/42/87/412094287.db2.gz XPPOXCFKHPRFIS-QWHCGFSZSA-N 1 3 313.446 -0.225 20 0 DBADHO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659681393 412103766 /nfs/dbraw/zinc/10/37/66/412103766.db2.gz HKGMZEOIMORPIC-FUJMWEONSA-N 1 3 308.426 -0.216 20 0 DBADHO C[N@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659681393 412103771 /nfs/dbraw/zinc/10/37/71/412103771.db2.gz HKGMZEOIMORPIC-FUJMWEONSA-N 1 3 308.426 -0.216 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659697427 412106866 /nfs/dbraw/zinc/10/68/66/412106866.db2.gz GTNCQXAJZZXLBM-VEAWUBTESA-N 1 3 308.426 -0.216 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659725592 412116168 /nfs/dbraw/zinc/11/61/68/412116168.db2.gz YEAKBLBUONVPLZ-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659740444 412119163 /nfs/dbraw/zinc/11/91/63/412119163.db2.gz BBQXZAHMOSKSSJ-UYJPIKCFSA-N 1 3 308.426 -0.204 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000659740406 412119277 /nfs/dbraw/zinc/11/92/77/412119277.db2.gz ANNNTMDRDCRTGT-MFOWVQHXSA-N 1 3 306.410 -0.449 20 0 DBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659739883 412119856 /nfs/dbraw/zinc/11/98/56/412119856.db2.gz IWAFOBXLYCXDPQ-BGMSHATGSA-N 1 3 308.426 -0.156 20 0 DBADHO CN1CCC2(CCCN2C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659742585 412119897 /nfs/dbraw/zinc/11/98/97/412119897.db2.gz AKKKKFGFHCXEFR-UHFFFAOYSA-N 1 3 320.437 -0.059 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000659757876 412123058 /nfs/dbraw/zinc/12/30/58/412123058.db2.gz XAPRJWHXIUMWCM-LBPRGKRZSA-N 1 3 305.382 -0.546 20 0 DBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000662715101 412196445 /nfs/dbraw/zinc/19/64/45/412196445.db2.gz FIVUWQPYRKBGAI-KGLIPLIRSA-N 1 3 324.425 -0.883 20 0 DBADHO COC[C@]1(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000662709855 412196452 /nfs/dbraw/zinc/19/64/52/412196452.db2.gz TVQAFCWMCLEJND-HOCLYGCPSA-N 1 3 311.426 -0.018 20 0 DBADHO [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000662715100 412197095 /nfs/dbraw/zinc/19/70/95/412197095.db2.gz FIVUWQPYRKBGAI-KBPBESRZSA-N 1 3 324.425 -0.883 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662759402 412199463 /nfs/dbraw/zinc/19/94/63/412199463.db2.gz VOKRCLNRZCOJNV-KFWWJZLASA-N 1 3 312.458 -0.260 20 0 DBADHO CN(CCC[NH+]1CCCC1)C(=O)C(=O)N1CC2CC1(CN)C2 ZINC000662932962 412213445 /nfs/dbraw/zinc/21/34/45/412213445.db2.gz OMOVNEHQSRBJCJ-UHFFFAOYSA-N 1 3 308.426 -0.120 20 0 DBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662934622 412213956 /nfs/dbraw/zinc/21/39/56/412213956.db2.gz NTBMHOFWJIOULX-UHFFFAOYSA-N 1 3 310.398 -0.023 20 0 DBADHO O=C(NC[C@@H]1CCCN(C[C@@H]2CNCCO2)C1)[C@H]1CCC[NH2+]1 ZINC000662264258 412174313 /nfs/dbraw/zinc/17/43/13/412174313.db2.gz HDKYOWUMEPJTLR-SOUVJXGZSA-N 1 3 310.442 -0.445 20 0 DBADHO CNC(=O)[C@H]1CCN(CC(C)C[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000664782973 412260845 /nfs/dbraw/zinc/26/08/45/412260845.db2.gz DJASKDWQQBXFLQ-KBPBESRZSA-N 1 3 310.442 -0.242 20 0 DBADHO CNC(=O)[C@H]1CCN(CC(C)C[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000664782973 412260849 /nfs/dbraw/zinc/26/08/49/412260849.db2.gz DJASKDWQQBXFLQ-KBPBESRZSA-N 1 3 310.442 -0.242 20 0 DBADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCOC2(CNC2)C1 ZINC000663493295 412234348 /nfs/dbraw/zinc/23/43/48/412234348.db2.gz GIFXGFCGGJYYBT-CQSZACIVSA-N 1 3 311.426 -0.020 20 0 DBADHO C[C@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C[NH+](C)C ZINC000340658697 412299426 /nfs/dbraw/zinc/29/94/26/412299426.db2.gz BITOIPBWHYPOSF-GFCCVEGCSA-N 1 3 324.429 -0.303 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000670545876 544420893 /nfs/dbraw/zinc/42/08/93/544420893.db2.gz IHIQXVRSJHAZFF-SMDDNHRTSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000665760859 544443652 /nfs/dbraw/zinc/44/36/52/544443652.db2.gz QLKNXHCVCHCDHG-IHRRRGAJSA-N 1 3 316.446 -0.605 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@@H](O)C[C@H]1CO ZINC000665760859 544443654 /nfs/dbraw/zinc/44/36/54/544443654.db2.gz QLKNXHCVCHCDHG-IHRRRGAJSA-N 1 3 316.446 -0.605 20 0 DBADHO CN(C)[C@H]1CCN(C(=O)C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000670783724 544495641 /nfs/dbraw/zinc/49/56/41/544495641.db2.gz WUQQFDZYRQWGSC-AWEZNQCLSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000073476663 544468424 /nfs/dbraw/zinc/46/84/24/544468424.db2.gz UBTJLKSIDCTFCK-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000073476663 544468426 /nfs/dbraw/zinc/46/84/26/544468426.db2.gz UBTJLKSIDCTFCK-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cn1 ZINC000127866939 544488947 /nfs/dbraw/zinc/48/89/47/544488947.db2.gz ACRBLOOPFMRLHY-UHFFFAOYSA-N 1 3 324.429 -0.113 20 0 DBADHO C[C@@H]1C[C@H](NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000675816440 544540130 /nfs/dbraw/zinc/54/01/30/544540130.db2.gz CIEFWYLEADQXRU-ZIAGYGMSSA-N 1 3 318.487 -0.364 20 0 DBADHO C[C@@H]1C[C@H](NCCN2CCN(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000675816440 544540133 /nfs/dbraw/zinc/54/01/33/544540133.db2.gz CIEFWYLEADQXRU-ZIAGYGMSSA-N 1 3 318.487 -0.364 20 0 DBADHO COCCCN(C)CCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000669498402 544572057 /nfs/dbraw/zinc/57/20/57/544572057.db2.gz MWXQOBJAWGCPJB-STQMWFEESA-N 1 3 302.419 -0.288 20 0 DBADHO COCCCN(C)CCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000669498400 544571947 /nfs/dbraw/zinc/57/19/47/544571947.db2.gz MWXQOBJAWGCPJB-OLZOCXBDSA-N 1 3 302.419 -0.288 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)CC1=O ZINC000681791162 544711552 /nfs/dbraw/zinc/71/15/52/544711552.db2.gz XDJKTRBXUOBDIG-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000677885821 544900070 /nfs/dbraw/zinc/90/00/70/544900070.db2.gz HNFFUTRDTWBIPW-CVEARBPZSA-N 1 3 324.469 -0.415 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CN1C1CC1 ZINC000685277796 545029413 /nfs/dbraw/zinc/02/94/13/545029413.db2.gz BPRUMUFNQUVLPM-MBNYWOFBSA-N 1 3 308.426 -0.110 20 0 DBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418828142 265751703 /nfs/dbraw/zinc/75/17/03/265751703.db2.gz CTDBAXRXJQWHKA-OCCSQVGLSA-N 1 3 306.410 -0.261 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000419403435 265785629 /nfs/dbraw/zinc/78/56/29/265785629.db2.gz DRSVDZQBHIQXSR-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000419579533 265799573 /nfs/dbraw/zinc/79/95/73/265799573.db2.gz HIABIMCBPZKJFU-BXUZGUMPSA-N 1 3 314.455 -0.592 20 0 DBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000420009458 265835226 /nfs/dbraw/zinc/83/52/26/265835226.db2.gz VUGOTGITTSEPLL-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1 ZINC000420025702 265836909 /nfs/dbraw/zinc/83/69/09/265836909.db2.gz BLOJFCFLTZKBCC-UONOGXRCSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)S(=O)(=O)CCCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609860 266007150 /nfs/dbraw/zinc/00/71/50/266007150.db2.gz IUWGZOBCNWMIBW-LBPRGKRZSA-N 1 3 320.459 -0.945 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)COC1C[NH2+]C1 ZINC000430873132 266015725 /nfs/dbraw/zinc/01/57/25/266015725.db2.gz PLIUQDSPSUPYEY-CYBMUJFWSA-N 1 3 312.414 -0.966 20 0 DBADHO CC(C)[C@@H](C[NH3+])C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000433159765 266037362 /nfs/dbraw/zinc/03/73/62/266037362.db2.gz FMNIDIVGNLNGQL-CYBMUJFWSA-N 1 3 324.429 -0.270 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000459900140 266145606 /nfs/dbraw/zinc/14/56/06/266145606.db2.gz RBSALMUQWNMIFZ-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459900140 266145612 /nfs/dbraw/zinc/14/56/12/266145612.db2.gz RBSALMUQWNMIFZ-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)CCN2C1=O ZINC000514614070 266261158 /nfs/dbraw/zinc/26/11/58/266261158.db2.gz AUUGSKMRCZCVOS-RRFJBIMHSA-N 1 3 316.405 -0.283 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)CCN2C1=O ZINC000514614071 266261830 /nfs/dbraw/zinc/26/18/30/266261830.db2.gz AUUGSKMRCZCVOS-SOUVJXGZSA-N 1 3 316.405 -0.283 20 0 DBADHO Cc1ncc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)cn1 ZINC000514774542 266264940 /nfs/dbraw/zinc/26/49/40/266264940.db2.gz XSYMOMCRNGWZND-UHFFFAOYSA-N 1 3 322.413 -0.325 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CCN2C1=O ZINC000516492520 266281868 /nfs/dbraw/zinc/28/18/68/266281868.db2.gz MJOYBKXIDSODMV-XUXIUFHCSA-N 1 3 323.441 -0.295 20 0 DBADHO C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NCCN(C)C ZINC000518561092 266302765 /nfs/dbraw/zinc/30/27/65/266302765.db2.gz GLRGEUGTRRAELW-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000518960526 266305489 /nfs/dbraw/zinc/30/54/89/266305489.db2.gz CKNBPSJRGCJAQW-FQUUOJAGSA-N 1 3 306.410 -0.641 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CCN2C1=O ZINC000519182984 266307651 /nfs/dbraw/zinc/30/76/51/266307651.db2.gz FQBXHOGQTQKKPP-YGOYTEALSA-N 1 3 320.315 -0.701 20 0 DBADHO CO[C@@H]1COC[C@@H]1NC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000519586699 266310866 /nfs/dbraw/zinc/31/08/66/266310866.db2.gz PXQBHMPGEXJJLU-QWHCGFSZSA-N 1 3 302.419 -0.465 20 0 DBADHO COCCN1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529312151 266385838 /nfs/dbraw/zinc/38/58/38/266385838.db2.gz YSXDXEXXNSJATK-LBPRGKRZSA-N 1 3 300.403 -0.486 20 0 DBADHO NC1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000377570025 279614734 /nfs/dbraw/zinc/61/47/34/279614734.db2.gz FFCPFBUJQHRGAK-MRXNPFEDSA-N 1 3 314.433 -0.011 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000332616414 288307355 /nfs/dbraw/zinc/30/73/55/288307355.db2.gz SKTXJMGYDDCTSW-RFGFWPKPSA-N 1 3 308.426 -0.062 20 0 DBADHO C[NH+](C)C1CCN(CCNC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188782998 289069028 /nfs/dbraw/zinc/06/90/28/289069028.db2.gz NDAPYZXJYKEJQC-UHFFFAOYSA-N 1 3 320.441 -0.189 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000331695972 289311139 /nfs/dbraw/zinc/31/11/39/289311139.db2.gz YTKNBHGNHZWALT-MGPQQGTHSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000331695972 289311140 /nfs/dbraw/zinc/31/11/40/289311140.db2.gz YTKNBHGNHZWALT-MGPQQGTHSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H](C(=O)N1CCOCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000262235658 298057150 /nfs/dbraw/zinc/05/71/50/298057150.db2.gz ONDPARSXFAIRHZ-OAHLLOKOSA-N 1 3 324.469 -0.149 20 0 DBADHO C[C@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1C[NH2+]C1 ZINC000357250334 298152812 /nfs/dbraw/zinc/15/28/12/298152812.db2.gz UDTZLEZHXMXOHQ-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H]1N(C)C ZINC000569473968 332099728 /nfs/dbraw/zinc/09/97/28/332099728.db2.gz DARUAXPZRPJWKS-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000572593276 332125051 /nfs/dbraw/zinc/12/50/51/332125051.db2.gz AZSJVUILJRTAPG-MELADBBJSA-N 1 3 306.410 -0.639 20 0 DBADHO CO[C@H](C[NH3+])CC(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000569967385 332697657 /nfs/dbraw/zinc/69/76/57/332697657.db2.gz MDFHFXVTJABJSL-OLZOCXBDSA-N 1 3 314.430 -0.543 20 0 DBADHO COCc1nc2n(n1)C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000582117268 333293391 /nfs/dbraw/zinc/29/33/91/333293391.db2.gz KIQPJPOWXKELOI-AAEUAGOBSA-N 1 3 309.414 -0.216 20 0 DBADHO COCc1nc2n(n1)C[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000582117268 333293393 /nfs/dbraw/zinc/29/33/93/333293393.db2.gz KIQPJPOWXKELOI-AAEUAGOBSA-N 1 3 309.414 -0.216 20 0 DBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000582477966 337096247 /nfs/dbraw/zinc/09/62/47/337096247.db2.gz DRIIYYKFKKGWDK-ZDUSSCGKSA-N 1 3 304.394 -0.637 20 0 DBADHO COCCN(CCN(C)C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582607086 337113038 /nfs/dbraw/zinc/11/30/38/337113038.db2.gz RHLSDIOHWMZYIE-CYBMUJFWSA-N 1 3 324.429 -0.320 20 0 DBADHO CNS(=O)(=O)CCCN1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000582667029 337118313 /nfs/dbraw/zinc/11/83/13/337118313.db2.gz SOJNUDFWGAAUBY-OLZOCXBDSA-N 1 3 305.444 -0.246 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000582793766 337170580 /nfs/dbraw/zinc/17/05/80/337170580.db2.gz OECFCYGCVQJTPW-GJZGRUSLSA-N 1 3 317.474 -0.298 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000582793766 337170581 /nfs/dbraw/zinc/17/05/81/337170581.db2.gz OECFCYGCVQJTPW-GJZGRUSLSA-N 1 3 317.474 -0.298 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000583015003 337229292 /nfs/dbraw/zinc/22/92/92/337229292.db2.gz CGIKKRQTQMTIAO-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CC1CC[NH+](CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000583095495 337240431 /nfs/dbraw/zinc/24/04/31/337240431.db2.gz LERHZOUNBTVWAL-KBPBESRZSA-N 1 3 323.441 -0.328 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@@H](O)C[N@H+](C)CC)CC1 ZINC000583301091 337311786 /nfs/dbraw/zinc/31/17/86/337311786.db2.gz SMFMIJLKNCHHSS-HNNXBMFYSA-N 1 3 314.474 -0.215 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000583301091 337311787 /nfs/dbraw/zinc/31/17/87/337311787.db2.gz SMFMIJLKNCHHSS-HNNXBMFYSA-N 1 3 314.474 -0.215 20 0 DBADHO CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000572901552 338242335 /nfs/dbraw/zinc/24/23/35/338242335.db2.gz PSMPYHTWJKQYCG-STQMWFEESA-N 1 3 309.414 -0.576 20 0 DBADHO CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000572901552 338242336 /nfs/dbraw/zinc/24/23/36/338242336.db2.gz PSMPYHTWJKQYCG-STQMWFEESA-N 1 3 309.414 -0.576 20 0 DBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000566180059 341549934 /nfs/dbraw/zinc/54/99/34/341549934.db2.gz XLBHMTARKQJTOJ-GJZGRUSLSA-N 1 3 313.442 -0.036 20 0 DBADHO CN(C)[C@@H](CNC(=O)C(=O)NC1C[NH2+]C1)Cc1ccccc1 ZINC000567149815 341582765 /nfs/dbraw/zinc/58/27/65/341582765.db2.gz WOZVUKCGPMADDU-CQSZACIVSA-N 1 3 304.394 -0.637 20 0 DBADHO CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347379933 521106686 /nfs/dbraw/zinc/10/66/86/521106686.db2.gz YNGJITPIEISRMP-CYBMUJFWSA-N 1 3 302.419 -0.680 20 0 DBADHO CC[N@@H+](CCO)CCNC(=O)N[C@@H]1CCN(CCOC)C1 ZINC000347379933 521106696 /nfs/dbraw/zinc/10/66/96/521106696.db2.gz YNGJITPIEISRMP-CYBMUJFWSA-N 1 3 302.419 -0.680 20 0 DBADHO CC[NH+]1CCC(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000344397326 521578444 /nfs/dbraw/zinc/57/84/44/521578444.db2.gz HNMNMPUVBQTTDU-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN(C)C)CC1=O ZINC000105315203 521654272 /nfs/dbraw/zinc/65/42/72/521654272.db2.gz RWZDIJCEGSENNT-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN1C[C@H](C(=O)NCCN(C)C)CC1=O ZINC000105315203 521654275 /nfs/dbraw/zinc/65/42/75/521654275.db2.gz RWZDIJCEGSENNT-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1=O ZINC000261740359 521770713 /nfs/dbraw/zinc/77/07/13/521770713.db2.gz IIISTTKNDALLSM-ZNMIVQPWSA-N 1 3 322.453 -0.146 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1=O ZINC000368216654 521775359 /nfs/dbraw/zinc/77/53/59/521775359.db2.gz RVCOFWBYTFGOND-OLZOCXBDSA-N 1 3 308.426 -0.345 20 0 DBADHO C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCSC1 ZINC000344007675 522063906 /nfs/dbraw/zinc/06/39/06/522063906.db2.gz DKAYZAMXOKRTDI-DZGCQCFKSA-N 1 3 312.483 -0.070 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000331699310 523481707 /nfs/dbraw/zinc/48/17/07/523481707.db2.gz ZCSGVTMDVCFKBB-BFHYXJOUSA-N 1 3 308.426 -0.060 20 0 DBADHO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000343874656 523819524 /nfs/dbraw/zinc/81/95/24/523819524.db2.gz UQDGJKXXIYSIFM-CQSZACIVSA-N 1 3 308.426 -0.153 20 0 DBADHO C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000343874656 523819529 /nfs/dbraw/zinc/81/95/29/523819529.db2.gz UQDGJKXXIYSIFM-CQSZACIVSA-N 1 3 308.426 -0.153 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333819251 523819657 /nfs/dbraw/zinc/81/96/57/523819657.db2.gz KPJDGNOKPJJVRC-RQJABVFESA-N 1 3 321.425 -0.848 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333819245 523843528 /nfs/dbraw/zinc/84/35/28/523843528.db2.gz KPJDGNOKPJJVRC-RFQIPJPRSA-N 1 3 321.425 -0.848 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000333710952 523843589 /nfs/dbraw/zinc/84/35/89/523843589.db2.gz SGTVZCPHSCLYAI-STQMWFEESA-N 1 3 309.414 -0.704 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000331468458 524223031 /nfs/dbraw/zinc/22/30/31/524223031.db2.gz VPQCJXSOZWKGSM-RBSFLKMASA-N 1 3 322.453 -0.098 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331468455 524223118 /nfs/dbraw/zinc/22/31/18/524223118.db2.gz VPQCJXSOZWKGSM-ILXRZTDVSA-N 1 3 322.453 -0.098 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C[C@@H]1N(C)C ZINC000332240524 524740866 /nfs/dbraw/zinc/74/08/66/524740866.db2.gz QFPZOUKSPUNTLC-MQYQWHSLSA-N 1 3 308.426 -0.395 20 0 DBADHO C[C@@H](CO)N1CCCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000347201740 524791938 /nfs/dbraw/zinc/79/19/38/524791938.db2.gz CCDMISLRFLTOCY-LSDHHAIUSA-N 1 3 310.442 -0.709 20 0 DBADHO C[C@@H](CO)N1CCCN(C(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000347201740 524791949 /nfs/dbraw/zinc/79/19/49/524791949.db2.gz CCDMISLRFLTOCY-LSDHHAIUSA-N 1 3 310.442 -0.709 20 0 DBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)N1CCCNCC1 ZINC000333742710 526568914 /nfs/dbraw/zinc/56/89/14/526568914.db2.gz XUMICOAKKWRSRT-NSHDSACASA-N 1 3 323.363 -0.173 20 0 DBADHO [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N1CCN2CCC[C@H]2C1 ZINC000332551363 527209505 /nfs/dbraw/zinc/20/95/05/527209505.db2.gz JVLCXBCAEUKUJT-IHRRRGAJSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000331685245 527226600 /nfs/dbraw/zinc/22/66/00/527226600.db2.gz VOTPEBZAPHTADG-KGLIPLIRSA-N 1 3 308.426 -0.073 20 0 DBADHO CCN(CCO)CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418649625 528537190 /nfs/dbraw/zinc/53/71/90/528537190.db2.gz FBWBIIHSOXSRRU-AWEZNQCLSA-N 1 3 302.419 -0.632 20 0 DBADHO CN(C)CCN(C)C(=O)COCC(=O)N(C)CC[NH+](C)C ZINC000342576693 535848105 /nfs/dbraw/zinc/84/81/05/535848105.db2.gz VAAQDCRXVRSZSH-UHFFFAOYSA-N 1 3 302.419 -0.957 20 0 DBADHO C[N@H+](CCn1cncn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407467 665759602 /nfs/dbraw/zinc/75/96/02/665759602.db2.gz YFKFLOLVRLZZOZ-AWEZNQCLSA-N 1 3 306.414 -0.093 20 0 DBADHO C[N@@H+](CCn1cncn1)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC000980407467 665759608 /nfs/dbraw/zinc/75/96/08/665759608.db2.gz YFKFLOLVRLZZOZ-AWEZNQCLSA-N 1 3 306.414 -0.093 20 0 DBADHO O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCN(CCCO)CC1 ZINC000981210646 665830053 /nfs/dbraw/zinc/83/00/53/665830053.db2.gz STTMQWKYZWNMLL-GJZGRUSLSA-N 1 3 311.426 -0.234 20 0 DBADHO O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCN(CCCO)CC1 ZINC000981210646 665830055 /nfs/dbraw/zinc/83/00/55/665830055.db2.gz STTMQWKYZWNMLL-GJZGRUSLSA-N 1 3 311.426 -0.234 20 0 DBADHO O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCN(CCCO)CC1 ZINC000981210647 665830139 /nfs/dbraw/zinc/83/01/39/665830139.db2.gz STTMQWKYZWNMLL-HUUCEWRRSA-N 1 3 311.426 -0.234 20 0 DBADHO O=C([C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCN(CCCO)CC1 ZINC000981210647 665830140 /nfs/dbraw/zinc/83/01/40/665830140.db2.gz 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C[C@H]1CCN(CC(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000999867438 678760375 /nfs/dbraw/zinc/76/03/75/678760375.db2.gz BJBPHSPUNUBYOV-STQMWFEESA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000999866792 678760613 /nfs/dbraw/zinc/76/06/13/678760613.db2.gz ZZKQEMOTVVXROP-OCCSQVGLSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@@H]3CCCN3C)C2)C1 ZINC000999866792 678760617 /nfs/dbraw/zinc/76/06/17/678760617.db2.gz ZZKQEMOTVVXROP-OCCSQVGLSA-N 1 3 308.426 -0.251 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCc2cn([C@@H]3CCN(CCO)C3)nn2)C1 ZINC001000046851 678787059 /nfs/dbraw/zinc/78/70/59/678787059.db2.gz WKWVDMJXFHZWSP-GXTWGEPZSA-N 1 3 322.413 -0.915 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCc2cn([C@@H]3CCN(CCO)C3)nn2)C1 ZINC001000046851 678787060 /nfs/dbraw/zinc/78/70/60/678787060.db2.gz WKWVDMJXFHZWSP-GXTWGEPZSA-N 1 3 322.413 -0.915 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001000084379 678793065 /nfs/dbraw/zinc/79/30/65/678793065.db2.gz ZSPRIDOPEQXATP-KBPBESRZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCC[C@@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001000084386 678793175 /nfs/dbraw/zinc/79/31/75/678793175.db2.gz ZSPRIDOPEQXATP-ZIAGYGMSSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001001978548 678963754 /nfs/dbraw/zinc/96/37/54/678963754.db2.gz QXSCCDUCMDOLFH-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001001978548 678963757 /nfs/dbraw/zinc/96/37/57/678963757.db2.gz QXSCCDUCMDOLFH-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001001999862 678965784 /nfs/dbraw/zinc/96/57/84/678965784.db2.gz SRELPUZXORVFPZ-HIFRSBDPSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001999862 678965786 /nfs/dbraw/zinc/96/57/86/678965786.db2.gz SRELPUZXORVFPZ-HIFRSBDPSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001001999861 678965982 /nfs/dbraw/zinc/96/59/82/678965982.db2.gz SRELPUZXORVFPZ-DZGCQCFKSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001999861 678965984 /nfs/dbraw/zinc/96/59/84/678965984.db2.gz SRELPUZXORVFPZ-DZGCQCFKSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+]1CCC(C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001002919777 679010070 /nfs/dbraw/zinc/01/00/70/679010070.db2.gz VBSKPMYWBSEXTQ-UHFFFAOYSA-N 1 3 319.409 -0.131 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001002927110 679010898 /nfs/dbraw/zinc/01/08/98/679010898.db2.gz VYDPURVTEPVCCA-HNNXBMFYSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003332858 679033645 /nfs/dbraw/zinc/03/36/45/679033645.db2.gz ORNXBVRBWNYJRC-KKVZTGDRSA-N 1 3 323.437 -0.189 20 0 DBADHO O=C(CN1CCCC1)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003333925 679033674 /nfs/dbraw/zinc/03/36/74/679033674.db2.gz OEJCQSUOYFQIHK-UHFFFAOYSA-N 1 3 320.437 -0.247 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1)N1CCCCC1 ZINC000842016337 805580267 /nfs/dbraw/zinc/58/02/67/805580267.db2.gz UIUNIBZKISKIMM-OLZOCXBDSA-N 1 3 312.414 -0.837 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884588071 807058501 /nfs/dbraw/zinc/05/85/01/807058501.db2.gz XOQILZPDPDDBMG-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000842165347 805585007 /nfs/dbraw/zinc/58/50/07/805585007.db2.gz VARYDNVMBJDUGB-IHRRRGAJSA-N 1 3 324.425 -0.694 20 0 DBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)N(C)C ZINC000849029678 805856774 /nfs/dbraw/zinc/85/67/74/805856774.db2.gz HDGOPOQMMQZHKX-LLVKDONJSA-N 1 3 305.448 -0.524 20 0 DBADHO COC(=O)N(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000849352684 805863021 /nfs/dbraw/zinc/86/30/21/805863021.db2.gz PLUMNUSODDCSTG-LBPRGKRZSA-N 1 3 300.403 -0.186 20 0 DBADHO COC(=O)N(C)CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CN)C1 ZINC000849352684 805863029 /nfs/dbraw/zinc/86/30/29/805863029.db2.gz PLUMNUSODDCSTG-LBPRGKRZSA-N 1 3 300.403 -0.186 20 0 DBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000851684364 805925605 /nfs/dbraw/zinc/92/56/05/805925605.db2.gz GQJZFSUURBYIGX-NWDGAFQWSA-N 1 3 312.414 -0.839 20 0 DBADHO CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000851684363 805925617 /nfs/dbraw/zinc/92/56/17/805925617.db2.gz GQJZFSUURBYIGX-NEPJUHHUSA-N 1 3 312.414 -0.839 20 0 DBADHO CN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@H]1CCCNC1=O ZINC001316858073 806010692 /nfs/dbraw/zinc/01/06/92/806010692.db2.gz BAEWTBWLGYDRNC-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCNC1=O ZINC001316858072 806011466 /nfs/dbraw/zinc/01/14/66/806011466.db2.gz BAEWTBWLGYDRNC-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1cnn(C)c1 ZINC000855346636 806074322 /nfs/dbraw/zinc/07/43/22/806074322.db2.gz HJAGMACSWLRMDH-GXTWGEPZSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H](O)c1cnn(C)c1 ZINC000855346636 806074330 /nfs/dbraw/zinc/07/43/30/806074330.db2.gz HJAGMACSWLRMDH-GXTWGEPZSA-N 1 3 311.430 -0.158 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001317120222 806091560 /nfs/dbraw/zinc/09/15/60/806091560.db2.gz RLJHQVRWWSTPNX-KXNHARMFSA-N 1 3 310.398 -0.631 20 0 DBADHO CC(C)NC(=O)NCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001317305932 806127848 /nfs/dbraw/zinc/12/78/48/806127848.db2.gz SYYXDTDXOXFRAC-LBPRGKRZSA-N 1 3 322.413 -0.150 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001317308639 806129018 /nfs/dbraw/zinc/12/90/18/806129018.db2.gz PFIRSTZAOZJXPP-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO CNC(=O)NC(=O)CNCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001317598590 806200271 /nfs/dbraw/zinc/20/02/71/806200271.db2.gz QJUKMCBJDJLYMI-LBPRGKRZSA-N 1 3 315.418 -0.924 20 0 DBADHO [NH3+]CC1(NC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC000861573521 806275538 /nfs/dbraw/zinc/27/55/38/806275538.db2.gz HZNSNPKYWPJLRT-QWHCGFSZSA-N 1 3 312.414 -0.343 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861572400 806276077 /nfs/dbraw/zinc/27/60/77/806276077.db2.gz RENYQMRYIULPDS-QWHCGFSZSA-N 1 3 300.403 -0.615 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C[NH2+]1 ZINC000861756248 806289684 /nfs/dbraw/zinc/28/96/84/806289684.db2.gz WDIZQMSFTULLNA-RFGFWPKPSA-N 1 3 324.425 -0.778 20 0 DBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000861762180 806290754 /nfs/dbraw/zinc/29/07/54/806290754.db2.gz SBUZZWZOPPIUBV-MFKMUULPSA-N 1 3 302.444 -0.655 20 0 DBADHO CCN(CCNCC(=O)N1CCC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001320827377 806532665 /nfs/dbraw/zinc/53/26/65/806532665.db2.gz VQBXCNVKUCLLER-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCCS(C)(=O)=O ZINC001320995964 806551827 /nfs/dbraw/zinc/55/18/27/806551827.db2.gz BJHHQJFLSWCFBR-SCOBNMCVSA-N 1 3 317.455 -0.223 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868421214 806555182 /nfs/dbraw/zinc/55/51/82/806555182.db2.gz JEUHZGDCCAANIF-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CCN(C2CCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)CC2)CC1 ZINC000870981599 806614937 /nfs/dbraw/zinc/61/49/37/806614937.db2.gz MIJQBOXLRCAHTH-YOEHRIQHSA-N 1 3 322.453 -0.539 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999437 806615575 /nfs/dbraw/zinc/61/55/75/806615575.db2.gz OGTHKCMUEXVUGZ-UPJWGTAASA-N 1 3 310.398 -0.278 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000871000665 806616733 /nfs/dbraw/zinc/61/67/33/806616733.db2.gz VYVQACDEUQARIH-RVMXOQNASA-N 1 3 310.398 -0.280 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000871000666 806617192 /nfs/dbraw/zinc/61/71/92/806617192.db2.gz VYVQACDEUQARIH-XQHKEYJVSA-N 1 3 310.398 -0.280 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCCS(C)(=O)=O)CC[N@@H+]1C ZINC001321522615 806635604 /nfs/dbraw/zinc/63/56/04/806635604.db2.gz PHDUBMNEADDDEF-FRRDWIJNSA-N 1 3 319.471 -0.144 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](C)CNCCS(C)(=O)=O)CC[N@H+]1C ZINC001321522615 806635607 /nfs/dbraw/zinc/63/56/07/806635607.db2.gz PHDUBMNEADDDEF-FRRDWIJNSA-N 1 3 319.471 -0.144 20 0 DBADHO CN(C)C[C@H](N)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000876891936 806811557 /nfs/dbraw/zinc/81/15/57/806811557.db2.gz HRRRVLNMQINHBH-AWEZNQCLSA-N 1 3 300.447 -0.165 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877344180 806834509 /nfs/dbraw/zinc/83/45/09/806834509.db2.gz VLMPAQJWIOWPFG-ZBFHGGJFSA-N 1 3 318.421 -0.083 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1=O ZINC000877375440 806835260 /nfs/dbraw/zinc/83/52/60/806835260.db2.gz XUQHSFHQXJRAPB-HEHGZKQESA-N 1 3 308.426 -0.536 20 0 DBADHO COC[C@H](C)NC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000104191967 803804238 /nfs/dbraw/zinc/80/42/38/803804238.db2.gz QDVKXHNDQRKTGG-QWHCGFSZSA-N 1 3 313.446 -0.132 20 0 DBADHO [NH3+]CC(NC(=O)CCN1C(=O)C2C3CCC(O3)C2C1=O)C1CC1 ZINC000262586054 803832462 /nfs/dbraw/zinc/83/24/62/803832462.db2.gz OWEYWEBEIBAECL-QPKSUZNQSA-N 1 3 321.377 -0.608 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C[C@@H](C)O ZINC001279710695 803913381 /nfs/dbraw/zinc/91/33/81/803913381.db2.gz BBAOPOZVHNGVEG-KGLIPLIRSA-N 1 3 301.431 -0.350 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000766143878 804312169 /nfs/dbraw/zinc/31/21/69/804312169.db2.gz HFDHTMDRSLCCJE-HOTGVXAUSA-N 1 3 324.469 -0.319 20 0 DBADHO O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC2(CN(CCO)C2)CC1 ZINC001035709431 815016974 /nfs/dbraw/zinc/01/69/74/815016974.db2.gz FPTVVTJZLRRIPH-CABCVRRESA-N 1 3 323.437 -0.234 20 0 DBADHO O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCC2(CN(CCO)C2)CC1 ZINC001035709431 815016981 /nfs/dbraw/zinc/01/69/81/815016981.db2.gz FPTVVTJZLRRIPH-CABCVRRESA-N 1 3 323.437 -0.234 20 0 DBADHO C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001284853805 804777512 /nfs/dbraw/zinc/77/75/12/804777512.db2.gz CIEQMQIMRPKHKX-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CCCN1C)C(N)=O ZINC001284853804 804777640 /nfs/dbraw/zinc/77/76/40/804777640.db2.gz CIEQMQIMRPKHKX-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817959345 805104677 /nfs/dbraw/zinc/10/46/77/805104677.db2.gz BOFORXAQEUCDFJ-CZUORRHYSA-N 1 3 306.410 -0.353 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817995867 805107434 /nfs/dbraw/zinc/10/74/34/805107434.db2.gz DYORRDNCJRZAFQ-XJKSGUPXSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@H](O)CN1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@H](C)C1 ZINC000821271814 805178213 /nfs/dbraw/zinc/17/82/13/805178213.db2.gz TWOJACWYEFXSNJ-VNHYZAJKSA-N 1 3 311.426 -0.379 20 0 DBADHO C[C@H](O)CN1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@H](C)C1 ZINC000821271807 805178686 /nfs/dbraw/zinc/17/86/86/805178686.db2.gz TWOJACWYEFXSNJ-IPYPFGDCSA-N 1 3 311.426 -0.379 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CCOC)CC1 ZINC000884211237 807040085 /nfs/dbraw/zinc/04/00/85/807040085.db2.gz XIAPYLBYBFFCJP-CYBMUJFWSA-N 1 3 314.430 -0.637 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000884555526 807054842 /nfs/dbraw/zinc/05/48/42/807054842.db2.gz SUQCPLJJJOTMGR-IACUBPJLSA-N 1 3 308.426 -0.075 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCSC1 ZINC000884612516 807059642 /nfs/dbraw/zinc/05/96/42/807059642.db2.gz MWPFAWALUVQGAL-COPLHBTASA-N 1 3 312.439 -0.887 20 0 DBADHO CCN(C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000884631338 807061538 /nfs/dbraw/zinc/06/15/38/807061538.db2.gz HERBEFAMDNWLOW-KBPBESRZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1C[NH3+] ZINC000884631574 807062255 /nfs/dbraw/zinc/06/22/55/807062255.db2.gz PBLPZKIQZJQGGT-BNOWGMLFSA-N 1 3 308.426 -0.360 20 0 DBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC001325363034 807064137 /nfs/dbraw/zinc/06/41/37/807064137.db2.gz RERMLOCVSRQXCY-BXUZGUMPSA-N 1 3 316.471 -0.346 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884721704 807073216 /nfs/dbraw/zinc/07/32/16/807073216.db2.gz RECYANRVPWBJJP-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)C1 ZINC000884787360 807076672 /nfs/dbraw/zinc/07/66/72/807076672.db2.gz OUZJYSOKCADDSN-MJBXVCDLSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884786624 807077361 /nfs/dbraw/zinc/07/73/61/807077361.db2.gz TURBAWIBXSPDMR-RDBSUJKOSA-N 1 3 308.426 -0.204 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884840103 807081306 /nfs/dbraw/zinc/08/13/06/807081306.db2.gz FHMFZXPTJUYXIO-UHFFFAOYSA-N 1 3 318.421 -0.032 20 0 DBADHO O=C(NC[C@@H]1CCN1C1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000885876037 807110445 /nfs/dbraw/zinc/11/04/45/807110445.db2.gz NFDQHTAYRANMLV-JKSUJKDBSA-N 1 3 322.453 -0.254 20 0 DBADHO O=C(NC[C@@H]1CCN1C1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000885876037 807110450 /nfs/dbraw/zinc/11/04/50/807110450.db2.gz NFDQHTAYRANMLV-JKSUJKDBSA-N 1 3 322.453 -0.254 20 0 DBADHO CCN(C(=O)C(=O)N1CC[C@H](N2CCCC2)C1)[C@@H]1CC[NH2+]C1 ZINC000887066172 807149144 /nfs/dbraw/zinc/14/91/44/807149144.db2.gz FKNIHWPOCDUBRL-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CCC[C@@H]1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H]1CCCN1C ZINC000888041352 807170323 /nfs/dbraw/zinc/17/03/23/807170323.db2.gz DOPNUDQMPSCGTF-XJFOESAGSA-N 1 3 324.425 -0.825 20 0 DBADHO CN1CCC[C@@H]1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000888041352 807170326 /nfs/dbraw/zinc/17/03/26/807170326.db2.gz DOPNUDQMPSCGTF-XJFOESAGSA-N 1 3 324.425 -0.825 20 0 DBADHO CN1CCC[C@@H]1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000888041352 807170330 /nfs/dbraw/zinc/17/03/30/807170330.db2.gz DOPNUDQMPSCGTF-XJFOESAGSA-N 1 3 324.425 -0.825 20 0 DBADHO CN1CCC[C@@H]1C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000888041352 807170332 /nfs/dbraw/zinc/17/03/32/807170332.db2.gz DOPNUDQMPSCGTF-XJFOESAGSA-N 1 3 324.425 -0.825 20 0 DBADHO CN1CCC[C@@H]1C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000888041352 807170334 /nfs/dbraw/zinc/17/03/34/807170334.db2.gz DOPNUDQMPSCGTF-XJFOESAGSA-N 1 3 324.425 -0.825 20 0 DBADHO COCCNCC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001326356530 807173436 /nfs/dbraw/zinc/17/34/36/807173436.db2.gz NSDGQKCCUJOMFO-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000889332768 807194051 /nfs/dbraw/zinc/19/40/51/807194051.db2.gz KTOHPRHEBQUXGJ-BFHYXJOUSA-N 1 3 316.446 -0.341 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N(C)[C@@H]1COC[C@H]1O ZINC000889332768 807194053 /nfs/dbraw/zinc/19/40/53/807194053.db2.gz KTOHPRHEBQUXGJ-BFHYXJOUSA-N 1 3 316.446 -0.341 20 0 DBADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@@H](O)CN2C)C1 ZINC000900015718 807280256 /nfs/dbraw/zinc/28/02/56/807280256.db2.gz YKUSTLGCWMVWEQ-FMKPAKJESA-N 1 3 313.442 -0.086 20 0 DBADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@]2(C)C[C@@H](O)CN2C)C1 ZINC000900015718 807280260 /nfs/dbraw/zinc/28/02/60/807280260.db2.gz YKUSTLGCWMVWEQ-FMKPAKJESA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327513617 807296587 /nfs/dbraw/zinc/29/65/87/807296587.db2.gz BXEGWCBRMHMQCR-YPMHNXCESA-N 1 3 312.414 -0.933 20 0 DBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)CN1CCCC1=O ZINC001327771401 807334652 /nfs/dbraw/zinc/33/46/52/807334652.db2.gz CNASYMNDWLZMDV-QWHCGFSZSA-N 1 3 311.430 -0.432 20 0 DBADHO CC1(C)C[NH2+]CC[C@H](NC[C@]23COCCN2C(=O)COC3)C1 ZINC000902406037 807373441 /nfs/dbraw/zinc/37/34/41/807373441.db2.gz NEAANJZLQYHDKN-XJKSGUPXSA-N 1 3 311.426 -0.018 20 0 DBADHO CC1(C)C[NH2+]CC[C@@H](NC[C@@]23COCCN2C(=O)COC3)C1 ZINC000902406033 807373578 /nfs/dbraw/zinc/37/35/78/807373578.db2.gz NEAANJZLQYHDKN-CJNGLKHVSA-N 1 3 311.426 -0.018 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H](N)CC(F)F)C1 ZINC001328175002 807388302 /nfs/dbraw/zinc/38/83/02/807388302.db2.gz ROOWLOZCBQJPOI-NXEZZACHSA-N 1 3 306.357 -0.328 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H](N)CC(F)F)C1 ZINC001328175002 807388311 /nfs/dbraw/zinc/38/83/11/807388311.db2.gz ROOWLOZCBQJPOI-NXEZZACHSA-N 1 3 306.357 -0.328 20 0 DBADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@@H]1[NH3+] ZINC000903735171 807404950 /nfs/dbraw/zinc/40/49/50/807404950.db2.gz ITNPPYADATYFNG-OLZOCXBDSA-N 1 3 308.426 -0.121 20 0 DBADHO O=C1CNCCN1[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903742542 807406749 /nfs/dbraw/zinc/40/67/49/807406749.db2.gz CMYFHFZDAVCXFP-HLLBOEOZSA-N 1 3 322.453 -0.349 20 0 DBADHO C[C@](Cn1cccn1)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(N)=O ZINC000903830067 807416899 /nfs/dbraw/zinc/41/68/99/807416899.db2.gz RTRFSYOHOSZHOM-UKRRQHHQSA-N 1 3 321.425 -0.125 20 0 DBADHO CO[C@H](C)CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001328384365 807420885 /nfs/dbraw/zinc/42/08/85/807420885.db2.gz FQCFPMRMMCCXBL-CYBMUJFWSA-N 1 3 316.446 -0.569 20 0 DBADHO CN1CCN(c2ncc(CN3CCNCC[NH2+]CC3)cn2)CC1 ZINC000904396987 807424542 /nfs/dbraw/zinc/42/45/42/807424542.db2.gz URCPMOYHXKUDBX-UHFFFAOYSA-N 1 3 319.457 -0.777 20 0 DBADHO [NH3+][C@H]1C[C@@H](CN2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000904340900 807424639 /nfs/dbraw/zinc/42/46/39/807424639.db2.gz NMOMNQBWTGBNEM-MJBXVCDLSA-N 1 3 317.455 -0.150 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)C[C@]2(O)CCOC2)CCCO1 ZINC000905230629 807450661 /nfs/dbraw/zinc/45/06/61/807450661.db2.gz GWIRDHFZLMLLHV-BZUAXINKSA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)C[C@]2(O)CCOC2)CCCO1 ZINC000905230629 807450665 /nfs/dbraw/zinc/45/06/65/807450665.db2.gz GWIRDHFZLMLLHV-BZUAXINKSA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@H]1C[N@H+](CCCNC[C@H](O)C2(O)CCOCC2)CCCO1 ZINC000905229951 807450840 /nfs/dbraw/zinc/45/08/40/807450840.db2.gz DJJNQCAFGWXYKS-GJZGRUSLSA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@H]1C[N@@H+](CCCNC[C@H](O)C2(O)CCOCC2)CCCO1 ZINC000905229951 807450843 /nfs/dbraw/zinc/45/08/43/807450843.db2.gz DJJNQCAFGWXYKS-GJZGRUSLSA-N 1 3 316.442 -0.021 20 0 DBADHO CC[C@H](C(=O)NC1CC(C[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001328942272 807491476 /nfs/dbraw/zinc/49/14/76/807491476.db2.gz WERASBOCMWJCPB-WXRRBKDZSA-N 1 3 319.471 -0.144 20 0 DBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCc1nnc2n1CCOC2 ZINC001329225517 807540983 /nfs/dbraw/zinc/54/09/83/807540983.db2.gz IVVZTXPZCSHZRG-LLVKDONJSA-N 1 3 307.402 -0.093 20 0 DBADHO CN(C)CCn1nccc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000907781521 807550049 /nfs/dbraw/zinc/55/00/49/807550049.db2.gz RGZQRJSOGYAIFT-INIZCTEOSA-N 1 3 323.441 -0.027 20 0 DBADHO CN(CCOCC[NH3+])C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001329431867 807564835 /nfs/dbraw/zinc/56/48/35/807564835.db2.gz CQQVCODLWLNEIM-CQSZACIVSA-N 1 3 314.430 -0.144 20 0 DBADHO COc1ccccc1[C@@H](N)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923562446 807678701 /nfs/dbraw/zinc/67/87/01/807678701.db2.gz JDOLETUAFJRFLI-LBPRGKRZSA-N 1 3 314.411 -0.565 20 0 DBADHO CC[NH+](CC)C[C@@H]1CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923620338 807689522 /nfs/dbraw/zinc/68/95/22/807689522.db2.gz CPAMVTKHHHEXEC-ZDUSSCGKSA-N 1 3 304.460 -0.200 20 0 DBADHO [NH3+][C@H]1CCO[C@@H](C2CCN(S(=O)(=O)C3CNC3)CC2)C1 ZINC000923646470 807695279 /nfs/dbraw/zinc/69/52/79/807695279.db2.gz KIYIYEYCNWFKGZ-WCQYABFASA-N 1 3 303.428 -0.494 20 0 DBADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(S(=O)(=O)C3CNC3)C2)C1 ZINC000923652089 807696299 /nfs/dbraw/zinc/69/62/99/807696299.db2.gz IBCBCPQIJWGCNA-NQBHXWOUSA-N 1 3 303.428 -0.494 20 0 DBADHO O=S(=O)(C1CNC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000923661901 807698205 /nfs/dbraw/zinc/69/82/05/807698205.db2.gz KGSQFALWHLTGCL-LBPRGKRZSA-N 1 3 303.428 -0.622 20 0 DBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@@H]1C(F)(F)F ZINC000923671209 807700809 /nfs/dbraw/zinc/70/08/09/807700809.db2.gz ONFORNVNEKBSGN-BDAKNGLRSA-N 1 3 316.349 -0.795 20 0 DBADHO [NH3+][C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@H]1C(F)(F)F ZINC000923677691 807702741 /nfs/dbraw/zinc/70/27/41/807702741.db2.gz NAZAJYOZOZRJOD-RKDXNWHRSA-N 1 3 316.349 -0.652 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CC[N@@H+]4C)C3)C[C@@H]21 ZINC001330542679 807731623 /nfs/dbraw/zinc/73/16/23/807731623.db2.gz XCFVHEVYXSSYDC-KBXIAJHMSA-N 1 3 320.437 -0.299 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)C[C@@H]21 ZINC001330542679 807731626 /nfs/dbraw/zinc/73/16/26/807731626.db2.gz XCFVHEVYXSSYDC-KBXIAJHMSA-N 1 3 320.437 -0.299 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(CCN2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000925309049 807734323 /nfs/dbraw/zinc/73/43/23/807734323.db2.gz VPKXMTZLHQXHGQ-LBPRGKRZSA-N 1 3 311.430 -0.506 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(CCN2CC[N@@H+](C)C(C)(C)C2)C1=O ZINC000925309049 807734326 /nfs/dbraw/zinc/73/43/26/807734326.db2.gz VPKXMTZLHQXHGQ-LBPRGKRZSA-N 1 3 311.430 -0.506 20 0 DBADHO O[C@@H](CN[C@@H]1C[NH2+]CCOC1)CN1CCc2ccccc2C1 ZINC000925604504 807745543 /nfs/dbraw/zinc/74/55/43/807745543.db2.gz KNBXTHRQUAOWQL-SJORKVTESA-N 1 3 305.422 -0.016 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC[C@@H]1C[NH3+] ZINC000926333346 807760845 /nfs/dbraw/zinc/76/08/45/807760845.db2.gz IZGRYIYLEVBGAS-MGPQQGTHSA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001331745365 807823601 /nfs/dbraw/zinc/82/36/01/807823601.db2.gz OJPOBLZHSJGICD-FPMFFAJLSA-N 1 3 324.425 -0.778 20 0 DBADHO CCOCCN[C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331772937 807829184 /nfs/dbraw/zinc/82/91/84/807829184.db2.gz ANKIOTLVFRIWGS-MELADBBJSA-N 1 3 301.431 -0.180 20 0 DBADHO CCOCCN[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331772937 807829193 /nfs/dbraw/zinc/82/91/93/807829193.db2.gz ANKIOTLVFRIWGS-MELADBBJSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]3C[N@@H+](CC(N)=O)C[C@H]3CC2)C1 ZINC000946779062 808137062 /nfs/dbraw/zinc/13/70/62/808137062.db2.gz FFJJATRQHRXUNA-SOUVJXGZSA-N 1 3 322.453 -0.016 20 0 DBADHO 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C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001114831884 828749370 /nfs/dbraw/zinc/74/93/70/828749370.db2.gz HZPNSVLOCWWSPC-NYTXWWLZSA-N 1 3 311.426 -0.617 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001114831884 828749380 /nfs/dbraw/zinc/74/93/80/828749380.db2.gz HZPNSVLOCWWSPC-NYTXWWLZSA-N 1 3 311.426 -0.617 20 0 DBADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086432604 825256839 /nfs/dbraw/zinc/25/68/39/825256839.db2.gz ZURLZJSKJFOYFW-LEODZMLMSA-N 1 3 323.437 -0.285 20 0 DBADHO O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086432153 825257175 /nfs/dbraw/zinc/25/71/75/825257175.db2.gz NCXMEAUYENSUFO-LCEPCISISA-N 1 3 309.410 -0.674 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CCN1CCO ZINC001088757042 825456702 /nfs/dbraw/zinc/45/67/02/825456702.db2.gz FTRFBZDRUWYENM-BCWAKEQVSA-N 1 3 309.410 -0.579 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CCN1CCO ZINC001088757042 825456704 /nfs/dbraw/zinc/45/67/04/825456704.db2.gz FTRFBZDRUWYENM-BCWAKEQVSA-N 1 3 309.410 -0.579 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001115154663 828794435 /nfs/dbraw/zinc/79/44/35/828794435.db2.gz OQPSDGTXMWUOLS-COMQUAJESA-N 1 3 308.426 -0.347 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001115154663 828794441 /nfs/dbraw/zinc/79/44/41/828794441.db2.gz OQPSDGTXMWUOLS-COMQUAJESA-N 1 3 308.426 -0.347 20 0 DBADHO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCN(CCO)C[C@@H]1O ZINC001090830654 825862956 /nfs/dbraw/zinc/86/29/56/825862956.db2.gz NZASOXZEPLSPDZ-HOTGVXAUSA-N 1 3 321.421 -0.095 20 0 DBADHO NC(=O)c1ccc(C[C@H](N)C(=O)N2CC[C@@](F)(C[NH3+])C2)cc1 ZINC001161246619 832994428 /nfs/dbraw/zinc/99/44/28/832994428.db2.gz NALWMVMAYSJUOF-SWLSCSKDSA-N 1 3 308.357 -0.445 20 0 DBADHO CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161288393 832997814 /nfs/dbraw/zinc/99/78/14/832997814.db2.gz JWPZSXQVBKTDMI-VXGBXAGGSA-N 1 3 309.414 -0.942 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](Oc2ncccn2)C1 ZINC001161297330 832998642 /nfs/dbraw/zinc/99/86/42/832998642.db2.gz XAASADATYQVENS-CHWSQXEVSA-N 1 3 317.393 -0.345 20 0 DBADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@H](N)CCC[NH3+])C2)nc1 ZINC001161299215 833000068 /nfs/dbraw/zinc/00/00/68/833000068.db2.gz SZIYYGSFWHFJJY-ZYHUDNBSSA-N 1 3 309.370 -0.469 20 0 DBADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937532 826076073 /nfs/dbraw/zinc/07/60/73/826076073.db2.gz VIOBTCIXKONGKW-YRGRVCCFSA-N 1 3 310.442 -0.114 20 0 DBADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092935116 826076765 /nfs/dbraw/zinc/07/67/65/826076765.db2.gz QMCOXJSEBMNCRQ-BPLDGKMQSA-N 1 3 322.453 -0.099 20 0 DBADHO CC(=O)NCCN1CCC2(C[C@H]2C(=O)NCC[NH+](C)C)CC1 ZINC001273999852 833002966 /nfs/dbraw/zinc/00/29/66/833002966.db2.gz OLQSFXXICBSPDG-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO COc1ccnc(OC2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)n1 ZINC001161367061 833008118 /nfs/dbraw/zinc/00/81/18/833008118.db2.gz DSPHQLHJUDDWCA-LBPRGKRZSA-N 1 3 323.397 -0.079 20 0 DBADHO COC(=O)[C@]1(C)COCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001161372490 833008195 /nfs/dbraw/zinc/00/81/95/833008195.db2.gz KAKZCCUZYBJHRA-WFASDCNBSA-N 1 3 315.414 -0.164 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCN(C)C1=O ZINC001094074465 826194334 /nfs/dbraw/zinc/19/43/34/826194334.db2.gz AZKDNCFAZJRGSG-BZPMIXESSA-N 1 3 319.409 -0.133 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCNC1=O ZINC001094075163 826194677 /nfs/dbraw/zinc/19/46/77/826194677.db2.gz YKJSWHNGAQWXHD-WZRBSPASSA-N 1 3 305.382 -0.475 20 0 DBADHO COC(=O)[C@@H](N)CC(=O)N(CCN(C)C)[C@H]1CCC[NH2+]C1 ZINC001161445512 833018287 /nfs/dbraw/zinc/01/82/87/833018287.db2.gz PPQVVYQCWWFWHW-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nncn1C ZINC001094219955 826208145 /nfs/dbraw/zinc/20/81/45/826208145.db2.gz XZYWABPPVAGXOV-MGPQQGTHSA-N 1 3 320.441 -0.049 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nncn1C ZINC001094219955 826208152 /nfs/dbraw/zinc/20/81/52/826208152.db2.gz XZYWABPPVAGXOV-MGPQQGTHSA-N 1 3 320.441 -0.049 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H]1CNC[C@H](F)C1)CC2 ZINC001161476200 833022729 /nfs/dbraw/zinc/02/27/29/833022729.db2.gz BEJFOZKMCZNITR-BLTAXRJOSA-N 1 3 313.373 -0.312 20 0 DBADHO C[C@@]1(C[NH3+])CCCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001161490333 833025751 /nfs/dbraw/zinc/02/57/51/833025751.db2.gz YTYMZAXLNXUSSD-YPMHNXCESA-N 1 3 315.439 -0.650 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098478906 826490168 /nfs/dbraw/zinc/49/01/68/826490168.db2.gz JFBWKDCMYHEXDO-AWEZNQCLSA-N 1 3 313.442 -0.252 20 0 DBADHO CCN(CC)CC(=O)N1CCC([N@H+](CCO)C[C@H](C)O)CC1 ZINC001098505835 826493687 /nfs/dbraw/zinc/49/36/87/826493687.db2.gz DMVWDQCEUDVFEG-AWEZNQCLSA-N 1 3 315.458 -0.006 20 0 DBADHO CCN(CC)CC(=O)N1CCC([N@@H+](CCO)C[C@H](C)O)CC1 ZINC001098505835 826493691 /nfs/dbraw/zinc/49/36/91/826493691.db2.gz DMVWDQCEUDVFEG-AWEZNQCLSA-N 1 3 315.458 -0.006 20 0 DBADHO Cn1nccc1CCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986941 826760130 /nfs/dbraw/zinc/76/01/30/826760130.db2.gz RKSRALACHQWBRB-GJZGRUSLSA-N 1 3 323.441 -0.534 20 0 DBADHO CC(C)OCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989265 826762174 /nfs/dbraw/zinc/76/21/74/826762174.db2.gz PWCKXGKTDSZJNN-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@H]1O)CC(C)(C)C ZINC001100013551 826772070 /nfs/dbraw/zinc/77/20/70/826772070.db2.gz OWHNANHMTDNGLH-UONOGXRCSA-N 1 3 315.458 -0.102 20 0 DBADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@H]1O)CC(C)(C)C ZINC001100013551 826772072 /nfs/dbraw/zinc/77/20/72/826772072.db2.gz OWHNANHMTDNGLH-UONOGXRCSA-N 1 3 315.458 -0.102 20 0 DBADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](CCCOC)C[C@@H]1O ZINC001100041229 826790615 /nfs/dbraw/zinc/79/06/15/826790615.db2.gz GIJZFRRMUZNNGJ-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001100041229 826790620 /nfs/dbraw/zinc/79/06/20/826790620.db2.gz GIJZFRRMUZNNGJ-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO COC(=O)[C@H](O)CN1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274603913 833107124 /nfs/dbraw/zinc/10/71/24/833107124.db2.gz KNZSKVLKRDAZDQ-JHJVBQTASA-N 1 3 313.398 -0.853 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001100084089 826836665 /nfs/dbraw/zinc/83/66/65/826836665.db2.gz XTBORZKMAIAOGM-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@H]1CCN(CCOC)C[C@@H]1O ZINC001100084089 826836670 /nfs/dbraw/zinc/83/66/70/826836670.db2.gz XTBORZKMAIAOGM-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO COCCC[N@@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100132692 826883733 /nfs/dbraw/zinc/88/37/33/826883733.db2.gz XNIDPKCLSQCXFK-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO COCCC[N@H+]1CC[C@@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100132692 826883745 /nfs/dbraw/zinc/88/37/45/826883745.db2.gz XNIDPKCLSQCXFK-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@@H]([NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)C(N)=O ZINC001162872402 833121778 /nfs/dbraw/zinc/12/17/78/833121778.db2.gz QPAVQQJJFHAKJK-LGESCRJUSA-N 1 3 324.425 -0.791 20 0 DBADHO CN(C)C(=O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872645 833123087 /nfs/dbraw/zinc/12/30/87/833123087.db2.gz ZCOFCKLLJXIMPU-MFOWVQHXSA-N 1 3 324.425 -0.966 20 0 DBADHO Cn1cncc1N1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274759856 833126094 /nfs/dbraw/zinc/12/60/94/833126094.db2.gz WMXXGKVHOQHWPX-OAHLLOKOSA-N 1 3 307.398 -0.211 20 0 DBADHO CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100408207 826959932 /nfs/dbraw/zinc/95/99/32/826959932.db2.gz YNCZVLIRWOKQBT-ABIUDSBCSA-N 1 3 310.442 -0.101 20 0 DBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100901587 827041952 /nfs/dbraw/zinc/04/19/52/827041952.db2.gz CZCDVXZLJFBFLE-UHFFFAOYSA-N 1 3 301.431 -0.179 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351797 827101339 /nfs/dbraw/zinc/10/13/39/827101339.db2.gz MZLVBYDPBNNWBA-WWGRRREGSA-N 1 3 310.442 -0.018 20 0 DBADHO COC[C@H](O)C[N@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532063 827219727 /nfs/dbraw/zinc/21/97/27/827219727.db2.gz SEVCUFZDCJNGNI-MRVWCRGKSA-N 1 3 324.425 -0.048 20 0 DBADHO COC[C@H](O)C[N@@H+]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)[C@H](C)C1 ZINC001102532063 827219729 /nfs/dbraw/zinc/21/97/29/827219729.db2.gz SEVCUFZDCJNGNI-MRVWCRGKSA-N 1 3 324.425 -0.048 20 0 DBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001103644514 827292644 /nfs/dbraw/zinc/29/26/44/827292644.db2.gz CTTPDNDMKNMZIH-MGPQQGTHSA-N 1 3 310.442 -0.112 20 0 DBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001103644514 827292654 /nfs/dbraw/zinc/29/26/54/827292654.db2.gz CTTPDNDMKNMZIH-MGPQQGTHSA-N 1 3 310.442 -0.112 20 0 DBADHO CN(c1cncc(N2CCC([NH3+])CC2)n1)S(=O)(=O)CCN ZINC001164287701 833200613 /nfs/dbraw/zinc/20/06/13/833200613.db2.gz VELWOEWBGHXUQD-UHFFFAOYSA-N 1 3 314.415 -0.871 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1C ZINC001106662769 827667904 /nfs/dbraw/zinc/66/79/04/827667904.db2.gz CFHIHVOLPBIMIJ-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C[NH2+]CC(N)=O ZINC001106668207 827667840 /nfs/dbraw/zinc/66/78/40/827667840.db2.gz HYAMMMWONRGMDS-CHWSQXEVSA-N 1 3 310.442 -0.112 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001106778246 827676561 /nfs/dbraw/zinc/67/65/61/827676561.db2.gz ANUBAWXIXXHKFC-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001166010054 833263251 /nfs/dbraw/zinc/26/32/51/833263251.db2.gz GCLOAZCZNCQJGG-GFCCVEGCSA-N 1 3 322.475 -0.782 20 0 DBADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001166764610 833280525 /nfs/dbraw/zinc/28/05/25/833280525.db2.gz HPPXXKPLTCFFLB-GFCCVEGCSA-N 1 3 324.425 -0.381 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001166858460 833283829 /nfs/dbraw/zinc/28/38/29/833283829.db2.gz VBWNCBWYHFIOOP-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1CN(c3cc(CN)ncn3)C[C@H]1C2 ZINC001167230864 833293230 /nfs/dbraw/zinc/29/32/30/833293230.db2.gz MHHWPHJALHASRP-HBCZOZSTSA-N 1 3 317.393 -0.230 20 0 DBADHO [NH3+]CCc1nnn(-c2cncc([C@@H]3CN4CCC3CC4)n2)n1 ZINC001167790073 833309934 /nfs/dbraw/zinc/30/99/34/833309934.db2.gz CMMXPRWSGBOZQS-LLVKDONJSA-N 1 3 300.370 -0.237 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001168764312 833328267 /nfs/dbraw/zinc/32/82/67/833328267.db2.gz YEVFTSODYWCALE-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001168762393 833328462 /nfs/dbraw/zinc/32/84/62/833328462.db2.gz AMKCHRUAOUJQEH-AWEZNQCLSA-N 1 3 311.430 -0.318 20 0 DBADHO O=C(CN1CCCN(CCN2CC[NH2+]CC2)CC1)N1CCCC1 ZINC001118223494 829052641 /nfs/dbraw/zinc/05/26/41/829052641.db2.gz WCQORJJYPZHRLX-UHFFFAOYSA-N 1 3 323.485 -0.478 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC001119352123 829251706 /nfs/dbraw/zinc/25/17/06/829251706.db2.gz JIYLXBQQWLIPPM-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119409456 829258151 /nfs/dbraw/zinc/25/81/51/829258151.db2.gz OIMLDFBQTCCATN-RFGFWPKPSA-N 1 3 308.426 -0.204 20 0 DBADHO CN(C)C1(C(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)CCC1 ZINC001121237731 829450571 /nfs/dbraw/zinc/45/05/71/829450571.db2.gz BXHMRXBZALTKTK-UHFFFAOYSA-N 1 3 308.426 -0.027 20 0 DBADHO CN(C)[C@@H](C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2)C1CC1 ZINC001121247069 829453464 /nfs/dbraw/zinc/45/34/64/829453464.db2.gz WUYMZXHRNXAYHS-VTUJEPCUSA-N 1 3 308.426 -0.171 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@H](O)COC ZINC001176986031 833444763 /nfs/dbraw/zinc/44/47/63/833444763.db2.gz CFCHGIXPGWRBSO-KBPBESRZSA-N 1 3 301.431 -0.036 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001176986795 833445329 /nfs/dbraw/zinc/44/53/29/833445329.db2.gz VZTLXZLEVVWALW-JTQLQIEISA-N 1 3 301.391 -0.994 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCC[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC001124879215 829799430 /nfs/dbraw/zinc/79/94/30/829799430.db2.gz QSNRTYYCCRCLOF-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226768 833573685 /nfs/dbraw/zinc/57/36/85/833573685.db2.gz LERHBDBEMRCGKR-MJBXVCDLSA-N 1 3 301.431 -0.087 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001180226999 833573913 /nfs/dbraw/zinc/57/39/13/833573913.db2.gz XJBBAVNIPBIYOX-AVGNSLFASA-N 1 3 324.425 -0.289 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475616 830014253 /nfs/dbraw/zinc/01/42/53/830014253.db2.gz XAHQFIYGAXHCEJ-HNNXBMFYSA-N 1 3 322.453 -0.098 20 0 DBADHO CC(C)CNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481648 830014369 /nfs/dbraw/zinc/01/43/69/830014369.db2.gz WAVRGKMGLCFGAS-AWEZNQCLSA-N 1 3 310.442 -0.194 20 0 DBADHO CN1CCC[C@@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481481 830014381 /nfs/dbraw/zinc/01/43/81/830014381.db2.gz UFZCBEDZBXHIFH-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO CC[C@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001127562053 830018128 /nfs/dbraw/zinc/01/81/28/830018128.db2.gz AJFPNCBNRLSTET-NSHDSACASA-N 1 3 310.402 -0.972 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2ccco2)CC[N@@H+]1C ZINC001127691027 830025177 /nfs/dbraw/zinc/02/51/77/830025177.db2.gz YHMLRHXTEJIAOE-TZMCWYRMSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCNCC(=O)NCc2ccco2)CC[N@H+]1C ZINC001127691027 830025185 /nfs/dbraw/zinc/02/51/85/830025185.db2.gz YHMLRHXTEJIAOE-TZMCWYRMSA-N 1 3 322.409 -0.058 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCC1 ZINC001127760431 830026760 /nfs/dbraw/zinc/02/67/60/830026760.db2.gz KRIQWBJTBWEADE-KBPBESRZSA-N 1 3 324.425 -0.822 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCC1 ZINC001127760431 830026765 /nfs/dbraw/zinc/02/67/65/830026765.db2.gz KRIQWBJTBWEADE-KBPBESRZSA-N 1 3 324.425 -0.822 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001128533131 830094001 /nfs/dbraw/zinc/09/40/01/830094001.db2.gz HEYQQKOWCQXGTJ-RYUDHWBXSA-N 1 3 302.394 -0.349 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001128534177 830096205 /nfs/dbraw/zinc/09/62/05/830096205.db2.gz XIKMVOFZFLOYOT-GFCCVEGCSA-N 1 3 317.409 -0.603 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001128782742 830130614 /nfs/dbraw/zinc/13/06/14/830130614.db2.gz AXHFHACMZXXZBC-LBPRGKRZSA-N 1 3 320.459 -0.884 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001128782742 830130616 /nfs/dbraw/zinc/13/06/16/830130616.db2.gz AXHFHACMZXXZBC-LBPRGKRZSA-N 1 3 320.459 -0.884 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001128783126 830130625 /nfs/dbraw/zinc/13/06/25/830130625.db2.gz FQWKRKXNHHMYMR-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001128783126 830130628 /nfs/dbraw/zinc/13/06/28/830130628.db2.gz FQWKRKXNHHMYMR-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001129329115 830172096 /nfs/dbraw/zinc/17/20/96/830172096.db2.gz VCYJZSINFKOYNT-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCN(C)C2=O)C1 ZINC001129329115 830172099 /nfs/dbraw/zinc/17/20/99/830172099.db2.gz VCYJZSINFKOYNT-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129421830 830180644 /nfs/dbraw/zinc/18/06/44/830180644.db2.gz CYCBQSIYBGFPSU-STQMWFEESA-N 1 3 324.425 -0.240 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129421830 830180647 /nfs/dbraw/zinc/18/06/47/830180647.db2.gz CYCBQSIYBGFPSU-STQMWFEESA-N 1 3 324.425 -0.240 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435225 830180828 /nfs/dbraw/zinc/18/08/28/830180828.db2.gz CQOQRXIDEJFTDF-CQSZACIVSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)C1CC1 ZINC001129455314 830181822 /nfs/dbraw/zinc/18/18/22/830181822.db2.gz SCKCXMGSQDTGAW-KBPBESRZSA-N 1 3 309.414 -0.710 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129449930 830181883 /nfs/dbraw/zinc/18/18/83/830181883.db2.gz SHIRZGYRXUSROL-XHDPSFHLSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H](C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C)CS(C)(=O)=O ZINC001129450359 830181900 /nfs/dbraw/zinc/18/19/00/830181900.db2.gz ZLGYHZOVEGMUSO-DGCLKSJQSA-N 1 3 319.471 -0.287 20 0 DBADHO C[C@H](C[NH2+]CCNC(=O)CN(C)C1CCC1)CS(C)(=O)=O ZINC001129535584 830188566 /nfs/dbraw/zinc/18/85/66/830188566.db2.gz XLUYHYCJGMSQTN-GFCCVEGCSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001129855544 830218545 /nfs/dbraw/zinc/21/85/45/830218545.db2.gz HHZFDLIUGUFYBF-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001129855544 830218552 /nfs/dbraw/zinc/21/85/52/830218552.db2.gz HHZFDLIUGUFYBF-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO CCNC(=O)NC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947016 830231218 /nfs/dbraw/zinc/23/12/18/830231218.db2.gz FSAKTBKGSVSJOT-LBPRGKRZSA-N 1 3 315.418 -0.876 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129949456 830232493 /nfs/dbraw/zinc/23/24/93/830232493.db2.gz DWRYTEFIMMWTAQ-ZDUSSCGKSA-N 1 3 315.462 -0.014 20 0 DBADHO CN1CC[C@H](NCCNC(=O)C23CCC[NH+](CCC2)C3)C1=O ZINC001130173516 830273406 /nfs/dbraw/zinc/27/34/06/830273406.db2.gz HDUFHNYMOOXEMJ-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC)N(C)C ZINC001130200643 830279990 /nfs/dbraw/zinc/27/99/90/830279990.db2.gz MCEVUJDWRJZVDG-CHWSQXEVSA-N 1 3 316.446 -0.426 20 0 DBADHO C[NH+](C)CCC(=O)NCc1c[nH]nc1[C@@H]1CCN(CCO)C1 ZINC001130418274 830319674 /nfs/dbraw/zinc/31/96/74/830319674.db2.gz PQVPGMHBXXGYTL-GFCCVEGCSA-N 1 3 309.414 -0.241 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001130426679 830320700 /nfs/dbraw/zinc/32/07/00/830320700.db2.gz ACGLQBLQIYUSHB-ZDUSSCGKSA-N 1 3 319.446 -0.554 20 0 DBADHO O=C(NCC[NH2+]CCn1cccn1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131520295 830479010 /nfs/dbraw/zinc/47/90/10/830479010.db2.gz XALSBRHQFATLFW-BBBYJDLNSA-N 1 3 319.409 -0.548 20 0 DBADHO CCOCCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131522192 830480809 /nfs/dbraw/zinc/48/08/09/830480809.db2.gz WCSWUSFODLTNNP-BBBYJDLNSA-N 1 3 311.426 -0.018 20 0 DBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001132738334 830688934 /nfs/dbraw/zinc/68/89/34/830688934.db2.gz ZGCZVMAUEJCGPM-CHWSQXEVSA-N 1 3 324.425 -0.381 20 0 DBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001132738334 830688937 /nfs/dbraw/zinc/68/89/37/830688937.db2.gz ZGCZVMAUEJCGPM-CHWSQXEVSA-N 1 3 324.425 -0.381 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001133040250 830736452 /nfs/dbraw/zinc/73/64/52/830736452.db2.gz HZPOEMUZEHLKJI-UHFFFAOYSA-N 1 3 310.398 -0.057 20 0 DBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040575 830737041 /nfs/dbraw/zinc/73/70/41/830737041.db2.gz XISACWVLEFMKBM-UHFFFAOYSA-N 1 3 315.418 -0.730 20 0 DBADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001133290941 830763300 /nfs/dbraw/zinc/76/33/00/830763300.db2.gz FNJOKVQNMSLKJQ-STQMWFEESA-N 1 3 314.430 -0.672 20 0 DBADHO CCOCCCNC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294805 830764527 /nfs/dbraw/zinc/76/45/27/830764527.db2.gz VCARJLYPWANPFZ-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO CC[C@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001133688416 830809711 /nfs/dbraw/zinc/80/97/11/830809711.db2.gz WQIUBORLQZIDSE-VXGBXAGGSA-N 1 3 312.414 -0.382 20 0 DBADHO CC[C@@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001133688415 830809791 /nfs/dbraw/zinc/80/97/91/830809791.db2.gz WQIUBORLQZIDSE-RYUDHWBXSA-N 1 3 312.414 -0.382 20 0 DBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133833784 830833107 /nfs/dbraw/zinc/83/31/07/830833107.db2.gz GKMDQNVXWJWMCM-LLVKDONJSA-N 1 3 313.402 -0.978 20 0 DBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133833784 830833116 /nfs/dbraw/zinc/83/31/16/830833116.db2.gz GKMDQNVXWJWMCM-LLVKDONJSA-N 1 3 313.402 -0.978 20 0 DBADHO C[C@H](C[NH2+]CCNC(=O)CN1CCC[C@H]1C)CS(C)(=O)=O ZINC001133833700 830833815 /nfs/dbraw/zinc/83/38/15/830833815.db2.gz CSCQOUOYCNIXSK-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001133846149 830837067 /nfs/dbraw/zinc/83/70/67/830837067.db2.gz UXJVUAYKQXDDCX-ZIAGYGMSSA-N 1 3 310.442 -0.050 20 0 DBADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001133849779 830837842 /nfs/dbraw/zinc/83/78/42/830837842.db2.gz DHLCCTCJKPVEQY-IAQYHMDHSA-N 1 3 314.405 -0.207 20 0 DBADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001133849779 830837850 /nfs/dbraw/zinc/83/78/50/830837850.db2.gz DHLCCTCJKPVEQY-IAQYHMDHSA-N 1 3 314.405 -0.207 20 0 DBADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001133849778 830838263 /nfs/dbraw/zinc/83/82/63/830838263.db2.gz DHLCCTCJKPVEQY-ABAIWWIYSA-N 1 3 314.405 -0.207 20 0 DBADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCN[C@@H]2CCNC2=O)C1 ZINC001133849778 830838268 /nfs/dbraw/zinc/83/82/68/830838268.db2.gz DHLCCTCJKPVEQY-ABAIWWIYSA-N 1 3 314.405 -0.207 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001133845927 830838310 /nfs/dbraw/zinc/83/83/10/830838310.db2.gz QCSMQMWZXPQEBP-OLZOCXBDSA-N 1 3 306.414 -0.187 20 0 DBADHO C[C@H](C[NH2+]CCNC(=O)CN1CC[C@H](C)C1)CS(C)(=O)=O ZINC001133849899 830838944 /nfs/dbraw/zinc/83/89/44/830838944.db2.gz GRZOZMQJHXCUDJ-QWHCGFSZSA-N 1 3 319.471 -0.285 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869666 830844385 /nfs/dbraw/zinc/84/43/85/830844385.db2.gz ISBDHBIPVAPZCK-CHWSQXEVSA-N 1 3 314.430 -0.957 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133869666 830844393 /nfs/dbraw/zinc/84/43/93/830844393.db2.gz ISBDHBIPVAPZCK-CHWSQXEVSA-N 1 3 314.430 -0.957 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CCOCCNC(C)=O)N(C)C ZINC001133965953 830867607 /nfs/dbraw/zinc/86/76/07/830867607.db2.gz QXEYBQOUSVUJDY-ZDUSSCGKSA-N 1 3 302.419 -0.815 20 0 DBADHO C[C@H](COCC(=O)NCCN[C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001134021281 830877839 /nfs/dbraw/zinc/87/78/39/830877839.db2.gz XCWDOJVUVCZZLV-NEPJUHHUSA-N 1 3 300.403 -0.933 20 0 DBADHO C[C@@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001134782718 830977920 /nfs/dbraw/zinc/97/79/20/830977920.db2.gz KILFGWISFKYXLL-SNVBAGLBSA-N 1 3 313.402 -0.993 20 0 DBADHO C[NH+]1CCC(OCC(=O)NCCNCC(=O)N2CCC2)CC1 ZINC001135958511 831140717 /nfs/dbraw/zinc/14/07/17/831140717.db2.gz BBYWEJWPUYRIPS-UHFFFAOYSA-N 1 3 312.414 -0.965 20 0 DBADHO C[C@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(=O)N(C)C ZINC001135963265 831141813 /nfs/dbraw/zinc/14/18/13/831141813.db2.gz DCOJYBCBZCTFBR-LBPRGKRZSA-N 1 3 314.430 -0.720 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135981046 831143676 /nfs/dbraw/zinc/14/36/76/831143676.db2.gz WWXHKBRXJFCLPE-GHMZBOCLSA-N 1 3 315.418 -0.604 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001146710754 831292160 /nfs/dbraw/zinc/29/21/60/831292160.db2.gz MTOHWZLCRPTENY-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001146710754 831292166 /nfs/dbraw/zinc/29/21/66/831292166.db2.gz MTOHWZLCRPTENY-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001146719311 831292663 /nfs/dbraw/zinc/29/26/63/831292663.db2.gz PRGYVGRDRWAADX-UHFFFAOYSA-N 1 3 313.402 -0.978 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001146719311 831292669 /nfs/dbraw/zinc/29/26/69/831292669.db2.gz PRGYVGRDRWAADX-UHFFFAOYSA-N 1 3 313.402 -0.978 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185204172 833783263 /nfs/dbraw/zinc/78/32/63/833783263.db2.gz ITROSIBBPLGIJN-RYUDHWBXSA-N 1 3 307.398 -0.228 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001147212738 831349980 /nfs/dbraw/zinc/34/99/80/831349980.db2.gz WFCBPOJNJRRCHE-CQSZACIVSA-N 1 3 311.426 -0.376 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001147212738 831349985 /nfs/dbraw/zinc/34/99/85/831349985.db2.gz WFCBPOJNJRRCHE-CQSZACIVSA-N 1 3 311.426 -0.376 20 0 DBADHO CCN(CC)C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842446 831411207 /nfs/dbraw/zinc/41/12/07/831411207.db2.gz YELNGQYEDZYXNK-UHFFFAOYSA-N 1 3 302.419 -0.861 20 0 DBADHO CCC[C@@H](C)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147893372 831415612 /nfs/dbraw/zinc/41/56/12/831415612.db2.gz OYXCIGJKFFADBZ-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO CCCC[C@@H](NCCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001147892021 831415978 /nfs/dbraw/zinc/41/59/78/831415978.db2.gz GWESDHZVXMHVFX-GFCCVEGCSA-N 1 3 302.419 -0.686 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NCCOCC ZINC001148571169 831463527 /nfs/dbraw/zinc/46/35/27/831463527.db2.gz YWKDDKCBXPGBHQ-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NCCOCC ZINC001148571169 831463530 /nfs/dbraw/zinc/46/35/30/831463530.db2.gz YWKDDKCBXPGBHQ-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001148642452 831467533 /nfs/dbraw/zinc/46/75/33/831467533.db2.gz JNEWOHKUWSKJLM-UHFFFAOYSA-N 1 3 302.419 -0.813 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001149123178 831498330 /nfs/dbraw/zinc/49/83/30/831498330.db2.gz IJPFGVMJYDPVLZ-LLVKDONJSA-N 1 3 303.370 -0.255 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@@H]2CN(CCCO)CCCO2)CC1 ZINC001150192377 831597701 /nfs/dbraw/zinc/59/77/01/831597701.db2.gz FUHNFNKYAAJVFI-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H](O)CN1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193477 831597982 /nfs/dbraw/zinc/59/79/82/831597982.db2.gz OJNOHNYZSUFWIU-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150547026 831628586 /nfs/dbraw/zinc/62/85/86/831628586.db2.gz MTFLTGRTFPWDJX-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150547026 831628589 /nfs/dbraw/zinc/62/85/89/831628589.db2.gz MTFLTGRTFPWDJX-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO COCCN1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586799 831630434 /nfs/dbraw/zinc/63/04/34/831630434.db2.gz AFZMWIKHBVGUKS-AWEZNQCLSA-N 1 3 317.430 -0.582 20 0 DBADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001151049609 831660596 /nfs/dbraw/zinc/66/05/96/831660596.db2.gz UGMLLZKOETVAGE-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001151049609 831660597 /nfs/dbraw/zinc/66/05/97/831660597.db2.gz UGMLLZKOETVAGE-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NCc1ccco1 ZINC001151073664 831661949 /nfs/dbraw/zinc/66/19/49/831661949.db2.gz OLTXOKOBGOSUSC-QWHCGFSZSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NCc1ccco1 ZINC001151073664 831661951 /nfs/dbraw/zinc/66/19/51/831661951.db2.gz OLTXOKOBGOSUSC-QWHCGFSZSA-N 1 3 322.409 -0.058 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001151066472 831662008 /nfs/dbraw/zinc/66/20/08/831662008.db2.gz VEQKOFLDEKMTMT-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCN(C3CCC3)C2=O)C1 ZINC001151066472 831662010 /nfs/dbraw/zinc/66/20/10/831662010.db2.gz VEQKOFLDEKMTMT-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001152459136 831752478 /nfs/dbraw/zinc/75/24/78/831752478.db2.gz ZOYAVQRMYQMGEF-NWDGAFQWSA-N 1 3 310.398 -0.628 20 0 DBADHO O=C(CCCC[NH+]1CCCC1)NCCN[C@H]1CCC(=O)NC1=O ZINC001153314911 831802131 /nfs/dbraw/zinc/80/21/31/831802131.db2.gz SCYUMKSOBCNYOP-ZDUSSCGKSA-N 1 3 324.425 -0.237 20 0 DBADHO [NH3+]CC1CN([C@@H]2CCCN(c3cc4c(nn3)CCNC4)C2)C1 ZINC001155375917 831930129 /nfs/dbraw/zinc/93/01/29/831930129.db2.gz IIMQVASMGXBLRN-CQSZACIVSA-N 1 3 302.426 -0.018 20 0 DBADHO CS(=O)(=O)c1nc2c(c(-n3cccc3CN)n1)CC[NH2+]CC2 ZINC001156724021 831996088 /nfs/dbraw/zinc/99/60/88/831996088.db2.gz SEMCGADMRONTNG-UHFFFAOYSA-N 1 3 321.406 -0.182 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157519597 832049934 /nfs/dbraw/zinc/04/99/34/832049934.db2.gz ZOZKKCIAELHRAH-ZETCQYMHSA-N 1 3 306.292 -0.295 20 0 DBADHO CC1([NH3+])CN(C(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)C1 ZINC001157629365 832055332 /nfs/dbraw/zinc/05/53/32/832055332.db2.gz KLTLZBFXFGJSCP-LBPRGKRZSA-N 1 3 319.409 -0.131 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C)C[C@@H]1C[NH2+]CCO1 ZINC001157716984 832057829 /nfs/dbraw/zinc/05/78/29/832057829.db2.gz VOSHHBKHSXZHBO-RYUDHWBXSA-N 1 3 315.414 -0.247 20 0 DBADHO CN(C[C@H]1CNCCO1)C(=O)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001157721463 832058956 /nfs/dbraw/zinc/05/89/56/832058956.db2.gz XZVZOBJOMOLZKZ-LSDHHAIUSA-N 1 3 310.442 -0.493 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)COC1(C)C ZINC001157809555 832064433 /nfs/dbraw/zinc/06/44/33/832064433.db2.gz AXTNXFDAIOGVDA-RHYQMDGZSA-N 1 3 312.414 -0.507 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157902932 832071288 /nfs/dbraw/zinc/07/12/88/832071288.db2.gz DFZKEAHJAPSJBL-HZSPNIEDSA-N 1 3 301.431 -0.316 20 0 DBADHO O=C(c1csc2c1CCNC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158109288 832091524 /nfs/dbraw/zinc/09/15/24/832091524.db2.gz ANBDMVPVUHQUPD-HNNXBMFYSA-N 1 3 320.418 -0.302 20 0 DBADHO O=C(c1ccc2c(n1)CCNC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158112263 832091807 /nfs/dbraw/zinc/09/18/07/832091807.db2.gz XHPPEYBCXIURRU-MRXNPFEDSA-N 1 3 315.377 -0.969 20 0 DBADHO NCc1ccc(C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)cn1 ZINC001158120730 832091914 /nfs/dbraw/zinc/09/19/14/832091914.db2.gz SYXXDDSZQGRPMZ-INIZCTEOSA-N 1 3 315.377 -0.908 20 0 DBADHO O=C(c1ccc2c(n1)CCNC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158112259 832092339 /nfs/dbraw/zinc/09/23/39/832092339.db2.gz XHPPEYBCXIURRU-INIZCTEOSA-N 1 3 315.377 -0.969 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC001158167008 832094885 /nfs/dbraw/zinc/09/48/85/832094885.db2.gz GRBFFEFYMGLORR-HZSPNIEDSA-N 1 3 320.393 -0.073 20 0 DBADHO [NH3+]C1CCN(c2cccc(NC[C@H]3CNC(=O)CO3)n2)CC1 ZINC001158392836 832108958 /nfs/dbraw/zinc/10/89/58/832108958.db2.gz FESOTYNRCPLBGF-LBPRGKRZSA-N 1 3 305.382 -0.064 20 0 DBADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158485857 832115954 /nfs/dbraw/zinc/11/59/54/832115954.db2.gz AMAPMNSTDFKMON-ZIAGYGMSSA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158485857 832115959 /nfs/dbraw/zinc/11/59/59/832115959.db2.gz AMAPMNSTDFKMON-ZIAGYGMSSA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158485855 832116227 /nfs/dbraw/zinc/11/62/27/832116227.db2.gz AMAPMNSTDFKMON-KGLIPLIRSA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158485855 832116231 /nfs/dbraw/zinc/11/62/31/832116231.db2.gz AMAPMNSTDFKMON-KGLIPLIRSA-N 1 3 321.425 -0.121 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CNC[C@H](F)C1 ZINC001158496585 832118356 /nfs/dbraw/zinc/11/83/56/832118356.db2.gz UAORDFZGHIDCKD-IEECTRCBSA-N 1 3 313.373 -0.314 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1CNC[C@@H](F)C1 ZINC001158496586 832118751 /nfs/dbraw/zinc/11/87/51/832118751.db2.gz UAORDFZGHIDCKD-PJSNJIKXSA-N 1 3 313.373 -0.314 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)c1ccc(CN)nc1 ZINC001158506858 832118977 /nfs/dbraw/zinc/11/89/77/832118977.db2.gz SRATZVJKEWOQHW-FPMFFAJLSA-N 1 3 318.377 -0.094 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158543963 832120690 /nfs/dbraw/zinc/12/06/90/832120690.db2.gz AQWVRBAFNRZDQI-IXEHHAQMSA-N 1 3 315.439 -0.938 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(c1ncc3c(n1)CCNC3)CC2 ZINC001158636990 832126989 /nfs/dbraw/zinc/12/69/89/832126989.db2.gz NTVCHVZSLIZWIM-CJNGLKHVSA-N 1 3 317.393 -0.146 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001270304018 832521148 /nfs/dbraw/zinc/52/11/48/832521148.db2.gz KZZMUGRBPLPGAP-QWHCGFSZSA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001270304018 832521151 /nfs/dbraw/zinc/52/11/51/832521151.db2.gz KZZMUGRBPLPGAP-QWHCGFSZSA-N 1 3 317.455 -0.437 20 0 DBADHO CN(C)CC[N@@H+]1CCC2(CN(C(=O)CN3CCN(C)CC3)C2)C1 ZINC001270702267 832567547 /nfs/dbraw/zinc/56/75/47/832567547.db2.gz JGEIKWUQZJYWOV-UHFFFAOYSA-N 1 3 323.485 -0.670 20 0 DBADHO CN(C)CC[N@H+]1CCC2(CN(C(=O)CN3CCN(C)CC3)C2)C1 ZINC001270702267 832567549 /nfs/dbraw/zinc/56/75/49/832567549.db2.gz JGEIKWUQZJYWOV-UHFFFAOYSA-N 1 3 323.485 -0.670 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001271122069 832623870 /nfs/dbraw/zinc/62/38/70/832623870.db2.gz UFVUIAWKWORCOR-NSHDSACASA-N 1 3 307.398 -0.085 20 0 DBADHO CCOCCN1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001271185457 832637524 /nfs/dbraw/zinc/63/75/24/832637524.db2.gz ZWNBBMDTMADDAL-INIZCTEOSA-N 1 3 313.442 -0.082 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272295208 832768429 /nfs/dbraw/zinc/76/84/29/832768429.db2.gz MKEDFSBFJJFRHM-CQSZACIVSA-N 1 3 323.441 -0.328 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272295208 832768434 /nfs/dbraw/zinc/76/84/34/832768434.db2.gz MKEDFSBFJJFRHM-CQSZACIVSA-N 1 3 323.441 -0.328 20 0 DBADHO CC[N@@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001272437536 832785187 /nfs/dbraw/zinc/78/51/87/832785187.db2.gz KZXCYVFFOKCGGP-KRWDZBQOSA-N 1 3 324.469 -0.053 20 0 DBADHO CC[N@H+]1CC[C@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001272437536 832785190 /nfs/dbraw/zinc/78/51/90/832785190.db2.gz KZXCYVFFOKCGGP-KRWDZBQOSA-N 1 3 324.469 -0.053 20 0 DBADHO CC[N@@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001272437537 832785385 /nfs/dbraw/zinc/78/53/85/832785385.db2.gz KZXCYVFFOKCGGP-QGZVFWFLSA-N 1 3 324.469 -0.053 20 0 DBADHO CC[N@H+]1CC[C@@]2(C1)CN(CCCN1CCN(C)CC1)C(=O)CO2 ZINC001272437537 832785390 /nfs/dbraw/zinc/78/53/90/832785390.db2.gz KZXCYVFFOKCGGP-QGZVFWFLSA-N 1 3 324.469 -0.053 20 0 DBADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(Cc3cn[nH]n3)C2)C1=O ZINC001272570444 832801681 /nfs/dbraw/zinc/80/16/81/832801681.db2.gz SKHCZKLIOBFGTR-OAHLLOKOSA-N 1 3 320.397 -0.293 20 0 DBADHO NC1(C(=O)N(C[C@H]2OC[C@@H]3CC[NH2+]C[C@@H]32)c2ncccn2)CC1 ZINC001159401831 832813045 /nfs/dbraw/zinc/81/30/45/832813045.db2.gz DBOQXZFTISXFKA-RWMBFGLXSA-N 1 3 317.393 -0.075 20 0 DBADHO [NH3+]CCNCC(=O)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001159560012 832824301 /nfs/dbraw/zinc/82/43/01/832824301.db2.gz HHPQRPUQPWABIE-UHFFFAOYSA-N 1 3 320.441 -0.194 20 0 DBADHO CC[C@H]1N(C(=O)[C@@H]2C[NH2+]CC23CNC3)CCC[C@]12CCC(=O)N2 ZINC001159586313 832826876 /nfs/dbraw/zinc/82/68/76/832826876.db2.gz YOHDHSZXDYTADR-AHIWAGSCSA-N 1 3 320.437 -0.155 20 0 DBADHO COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001159624856 832829243 /nfs/dbraw/zinc/82/92/43/832829243.db2.gz OFSCKHKPCZSMPQ-SQWLQELKSA-N 1 3 323.437 -0.161 20 0 DBADHO COC[C@]12CCCO[C@H]1CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001159624855 832829669 /nfs/dbraw/zinc/82/96/69/832829669.db2.gz OFSCKHKPCZSMPQ-OFQRWUPVSA-N 1 3 323.437 -0.161 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC001159917497 832859146 /nfs/dbraw/zinc/85/91/46/832859146.db2.gz XPZUAUMPJGQFGB-HNNXBMFYSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001159925504 832859217 /nfs/dbraw/zinc/85/92/17/832859217.db2.gz RPOCBPSHVIBIEK-AAEUAGOBSA-N 1 3 310.398 -0.772 20 0 DBADHO CC(=O)N1CCC[C@]2(C1)CN(C(=O)[C@H](N)CCC[NH3+])CCO2 ZINC001160180281 832881437 /nfs/dbraw/zinc/88/14/37/832881437.db2.gz SKUFNKNVSLYAMT-HIFRSBDPSA-N 1 3 312.414 -0.708 20 0 DBADHO CCOC(=O)[C@@H]1CCN(C(=O)[C@@H](N)CCCC[NH3+])CCC1=O ZINC001160426551 832901571 /nfs/dbraw/zinc/90/15/71/832901571.db2.gz FOYAMWKUCWNYGM-NEPJUHHUSA-N 1 3 313.398 -0.187 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(CCc2ccccn2)CC1 ZINC001160483749 832909153 /nfs/dbraw/zinc/90/91/53/832909153.db2.gz WMHBUFWMUILIAZ-HNNXBMFYSA-N 1 3 305.426 -0.166 20 0 DBADHO N=c1nc([C@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001160539433 832915426 /nfs/dbraw/zinc/91/54/26/832915426.db2.gz SOKHSHUTPITNFO-WDEREUQCSA-N 1 3 301.354 -0.280 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2nc(Cl)ncc2C1 ZINC001160575839 832919708 /nfs/dbraw/zinc/91/97/08/832919708.db2.gz KSUODXPZCJALSJ-SNVBAGLBSA-N 1 3 307.785 -0.176 20 0 DBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641265 832929260 /nfs/dbraw/zinc/92/92/60/832929260.db2.gz ZIMUWLAOQMAHGC-VXGBXAGGSA-N 1 3 308.382 -0.476 20 0 DBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641265 832929265 /nfs/dbraw/zinc/92/92/65/832929265.db2.gz ZIMUWLAOQMAHGC-VXGBXAGGSA-N 1 3 308.382 -0.476 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652877 832930867 /nfs/dbraw/zinc/93/08/67/832930867.db2.gz PFRLMHNBFRWANB-OUAUKWLOSA-N 1 3 301.387 -0.773 20 0 DBADHO N[C@@H](CCOCc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652711 832931389 /nfs/dbraw/zinc/93/13/89/832931389.db2.gz JFLXARLBVDFVEV-QLFBSQMISA-N 1 3 307.394 -0.159 20 0 DBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1[C@H]2COC[C@@H]1CC(=O)C2 ZINC001160661812 832931989 /nfs/dbraw/zinc/93/19/89/832931989.db2.gz RJFGEVVWGYBBPF-SCRDCRAPSA-N 1 3 307.394 -0.181 20 0 DBADHO CC1(N2CCOCC2)CCN(C(=O)[C@@]23CC[C@@H](N2)[C@H]([NH3+])C3)CC1 ZINC001160669991 832933412 /nfs/dbraw/zinc/93/34/12/832933412.db2.gz PESIMEBXOZMPBE-CPUCHLNUSA-N 1 3 322.453 -0.079 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)COC1(C)C ZINC001160703786 832935534 /nfs/dbraw/zinc/93/55/34/832935534.db2.gz DMXMFWJYGFKXPT-RVMXOQNASA-N 1 3 324.425 -0.683 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)COC1(C)C ZINC001160703786 832935539 /nfs/dbraw/zinc/93/55/39/832935539.db2.gz DMXMFWJYGFKXPT-RVMXOQNASA-N 1 3 324.425 -0.683 20 0 DBADHO CN(C(=O)[C@H](N)C1CC[NH2+]CC1)C1CCS(=O)(=O)CC1 ZINC001160718962 832937670 /nfs/dbraw/zinc/93/76/70/832937670.db2.gz YYVDUZNHGGSGRN-GFCCVEGCSA-N 1 3 303.428 -0.651 20 0 DBADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@H](N)CCC[NH3+])C1 ZINC001160747890 832939502 /nfs/dbraw/zinc/93/95/02/832939502.db2.gz YERRKMMXWKMLRA-NWDGAFQWSA-N 1 3 300.403 -0.804 20 0 DBADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001160747889 832939555 /nfs/dbraw/zinc/93/95/55/832939555.db2.gz YERRKMMXWKMLRA-NEPJUHHUSA-N 1 3 300.403 -0.804 20 0 DBADHO CCNC(=O)CO[C@H]1CCCN(C(=O)[C@@H](N)CCC[NH3+])C1 ZINC001160748038 832939753 /nfs/dbraw/zinc/93/97/53/832939753.db2.gz YERRKMMXWKMLRA-RYUDHWBXSA-N 1 3 300.403 -0.804 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCc2ccc(=O)[nH]c2CC1 ZINC001160755627 832940565 /nfs/dbraw/zinc/94/05/65/832940565.db2.gz MCTTYGHUEFLKNH-GFCCVEGCSA-N 1 3 302.378 -0.477 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@]2(C1)CC(F)(F)CO2 ZINC001160768954 832941835 /nfs/dbraw/zinc/94/18/35/832941835.db2.gz GRRLBGMHAIFYOB-ZWNOBZJWSA-N 1 3 301.337 -0.178 20 0 DBADHO CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)CNCCC[NH3+] ZINC001160787801 832942745 /nfs/dbraw/zinc/94/27/45/832942745.db2.gz MAUBDGFCEUQGQL-ZDUSSCGKSA-N 1 3 309.370 -0.663 20 0 DBADHO CCOC(=O)[C@]12CN(C(=O)C3(N)CC(F)C3)C[C@H]1C[NH2+]CC2 ZINC001160814070 832945431 /nfs/dbraw/zinc/94/54/31/832945431.db2.gz SMOVTSXRZJNEAR-FEZMJDKJSA-N 1 3 313.373 -0.183 20 0 DBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001160837615 832948878 /nfs/dbraw/zinc/94/88/78/832948878.db2.gz CJFNGFLYPILBRV-HRCADAONSA-N 1 3 324.469 -0.151 20 0 DBADHO COc1cccnc1N1CCN(C(=O)[C@H](N)CCC[NH3+])CC1 ZINC001160847073 832949918 /nfs/dbraw/zinc/94/99/18/832949918.db2.gz WYPPFGMTRRXBKY-GFCCVEGCSA-N 1 3 307.398 -0.195 20 0 DBADHO CCNC(=O)CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273698684 832950849 /nfs/dbraw/zinc/95/08/49/832950849.db2.gz ADGHHDKHGHWMBX-MRXNPFEDSA-N 1 3 324.425 -0.475 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001160883629 832957099 /nfs/dbraw/zinc/95/70/99/832957099.db2.gz QMUMFYBTKAKXFB-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160970743 832963306 /nfs/dbraw/zinc/96/33/06/832963306.db2.gz AVXQPJDTAHCWGS-GUBZILKMSA-N 1 3 304.341 -0.481 20 0 DBADHO CC(=O)NCCCC[C@H](N)C(=O)N1C[C@@H]([NH3+])CC(F)(F)C1 ZINC001160971697 832963395 /nfs/dbraw/zinc/96/33/95/832963395.db2.gz MBBMSLHFTSMKQN-QWRGUYRKSA-N 1 3 306.357 -0.185 20 0 DBADHO O=C([C@H]1CNCc2ccnn2C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000880 832964439 /nfs/dbraw/zinc/96/44/39/832964439.db2.gz VTTKZVPOFRAPCB-JSGCOSHPSA-N 1 3 319.409 -0.682 20 0 DBADHO C[NH+](C)CCN1CC[C@@]2(CCN(CC(=O)NC3CC3)C2)C1=O ZINC001273829788 832969590 /nfs/dbraw/zinc/96/95/90/832969590.db2.gz NKOOROGNCSQAAA-MRXNPFEDSA-N 1 3 308.426 -0.249 20 0 DBADHO COC(=O)[C@@]1(N)CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)C1 ZINC001161137810 832980792 /nfs/dbraw/zinc/98/07/92/832980792.db2.gz HGGCCZYKGPGPRE-SMDDNHRTSA-N 1 3 300.403 -0.852 20 0 DBADHO CC(C)(O)CCN1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC1 ZINC001161175646 832988541 /nfs/dbraw/zinc/98/85/41/832988541.db2.gz MYGKYBZHRRDPOM-IOASZLSFSA-N 1 3 310.442 -0.487 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001178716442 833521771 /nfs/dbraw/zinc/52/17/71/833521771.db2.gz OCISBEHAHMKFSK-CFVMTHIKSA-N 1 3 322.453 -0.005 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CCN(C)CC1 ZINC001178949127 833530254 /nfs/dbraw/zinc/53/02/54/833530254.db2.gz QOHFWFHHWIACDL-JKSUJKDBSA-N 1 3 323.485 -0.529 20 0 DBADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CCN(C)CC1 ZINC001178949127 833530257 /nfs/dbraw/zinc/53/02/57/833530257.db2.gz QOHFWFHHWIACDL-JKSUJKDBSA-N 1 3 323.485 -0.529 20 0 DBADHO C[C@H]1[C@@H](N[C@@H]2CCNC2=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179430763 833546441 /nfs/dbraw/zinc/54/64/41/833546441.db2.gz DZKBRHPLVHSSJQ-RWMBFGLXSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]2C)C1 ZINC001179538856 833550000 /nfs/dbraw/zinc/55/00/00/833550000.db2.gz JIDKEGZMKYVJHR-IHRRRGAJSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCCS(C)(=O)=O)[C@@H]1C ZINC001179856825 833561554 /nfs/dbraw/zinc/56/15/54/833561554.db2.gz LKDQZOLNMRJSHN-STQMWFEESA-N 1 3 319.471 -0.048 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCCS(C)(=O)=O)[C@@H]1C ZINC001179856825 833561556 /nfs/dbraw/zinc/56/15/56/833561556.db2.gz LKDQZOLNMRJSHN-STQMWFEESA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001179929109 833563714 /nfs/dbraw/zinc/56/37/14/833563714.db2.gz CJPSDUQDLNCTSV-JSGCOSHPSA-N 1 3 320.437 -0.060 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001180227000 833573620 /nfs/dbraw/zinc/57/36/20/833573620.db2.gz XJBBAVNIPBIYOX-RWMBFGLXSA-N 1 3 324.425 -0.289 20 0 DBADHO CN(C)S(=O)(=O)NCC[NH2+]C1CCN(CC2CC2)CC1 ZINC001181586239 833637070 /nfs/dbraw/zinc/63/70/70/833637070.db2.gz AOFZFBDLBFFCAP-UHFFFAOYSA-N 1 3 304.460 -0.154 20 0 DBADHO CNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001182741963 833688364 /nfs/dbraw/zinc/68/83/64/833688364.db2.gz YYNVOVBZXAIPFQ-IAQYHMDHSA-N 1 3 307.398 -0.228 20 0 DBADHO CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](F)CN(CC)CC)C1 ZINC001182964162 833697909 /nfs/dbraw/zinc/69/79/09/833697909.db2.gz IXMXQJDOFHXXTP-CHWSQXEVSA-N 1 3 316.421 -0.007 20 0 DBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1=C[C@](C)(O)C=C[C@H]1O ZINC001183547128 833722057 /nfs/dbraw/zinc/72/20/57/833722057.db2.gz JBSOFYDPYYAWSN-IUODEOHRSA-N 1 3 310.398 -0.342 20 0 DBADHO CNC(=O)CN[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001183783528 833736382 /nfs/dbraw/zinc/73/63/82/833736382.db2.gz ZZTNWXYKSKQKRF-CYBMUJFWSA-N 1 3 319.409 -0.156 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1)C(N)=O ZINC001183816114 833737087 /nfs/dbraw/zinc/73/70/87/833737087.db2.gz BEKXKNXIORYDPK-CHWSQXEVSA-N 1 3 319.409 -0.028 20 0 DBADHO CN(CCC(=O)N1CC[C@@H](NCC(N)=O)C1)c1cc[nH+]cc1 ZINC001183818433 833737228 /nfs/dbraw/zinc/73/72/28/833737228.db2.gz ZXGYGOKEZMOHAR-GFCCVEGCSA-N 1 3 305.382 -0.416 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC001185249164 833785272 /nfs/dbraw/zinc/78/52/72/833785272.db2.gz QNPCSOUVQGULJM-GFCCVEGCSA-N 1 3 305.444 -0.437 20 0 DBADHO CN1CC[N@H+](C)C[C@H]1C(=O)N1CCN(CCC(C)(C)O)CC1 ZINC001185255667 833786739 /nfs/dbraw/zinc/78/67/39/833786739.db2.gz ADGGTTGTPVCJIS-AWEZNQCLSA-N 1 3 312.458 -0.463 20 0 DBADHO CN1CC[N@@H+](C)C[C@H]1C(=O)N1CCN(CCC(C)(C)O)CC1 ZINC001185255667 833786742 /nfs/dbraw/zinc/78/67/42/833786742.db2.gz ADGGTTGTPVCJIS-AWEZNQCLSA-N 1 3 312.458 -0.463 20 0 DBADHO C[C@@H](COCC(=O)N1CC[C@@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001185742948 833809064 /nfs/dbraw/zinc/80/90/64/833809064.db2.gz RDUZJIYYHDEIDZ-QWHCGFSZSA-N 1 3 312.414 -0.837 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001185925004 833817356 /nfs/dbraw/zinc/81/73/56/833817356.db2.gz JQNKZRDYLDBORN-GFCCVEGCSA-N 1 3 305.382 -0.331 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CC[C@H](O)C1 ZINC001186036970 833821991 /nfs/dbraw/zinc/82/19/91/833821991.db2.gz CTIHPUJKHQYEKX-SOUVJXGZSA-N 1 3 310.442 -0.710 20 0 DBADHO CN(C)CC[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)CN1CC[C@H](O)C1 ZINC001186036970 833821995 /nfs/dbraw/zinc/82/19/95/833821995.db2.gz CTIHPUJKHQYEKX-SOUVJXGZSA-N 1 3 310.442 -0.710 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001186486652 833852845 /nfs/dbraw/zinc/85/28/45/833852845.db2.gz CLQZLGJRZKZJJR-VXGBXAGGSA-N 1 3 310.398 -0.676 20 0 DBADHO Cc1nn(C)cc1CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115578 833902651 /nfs/dbraw/zinc/90/26/51/833902651.db2.gz MXHRBJOLLVUHMW-OAHLLOKOSA-N 1 3 323.441 -0.003 20 0 DBADHO CN(C(=O)C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001187835152 833952436 /nfs/dbraw/zinc/95/24/36/833952436.db2.gz OGOIOJJGYHGMJD-CYBMUJFWSA-N 1 3 308.426 -0.107 20 0 DBADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C[C@H]4COCCO4)CC3)[C@@H]2C1 ZINC001277524972 833964823 /nfs/dbraw/zinc/96/48/23/833964823.db2.gz NEZKGBCWOHXGGB-BFHYXJOUSA-N 1 3 309.410 -0.456 20 0 DBADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C[C@H]4COCCO4)CC3)[C@@H]2C1 ZINC001277524972 833964832 /nfs/dbraw/zinc/96/48/32/833964832.db2.gz NEZKGBCWOHXGGB-BFHYXJOUSA-N 1 3 309.410 -0.456 20 0 DBADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@@H]4COCCO4)CC3)[C@H]2C1 ZINC001277524979 833965425 /nfs/dbraw/zinc/96/54/25/833965425.db2.gz NEZKGBCWOHXGGB-RDBSUJKOSA-N 1 3 309.410 -0.456 20 0 DBADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C[C@@H]4COCCO4)CC3)[C@H]2C1 ZINC001277524979 833965429 /nfs/dbraw/zinc/96/54/29/833965429.db2.gz NEZKGBCWOHXGGB-RDBSUJKOSA-N 1 3 309.410 -0.456 20 0 DBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H]1CCC(=O)NC1=O ZINC001277920920 834005297 /nfs/dbraw/zinc/00/52/97/834005297.db2.gz COBLGEPRVFQXEG-DGCLKSJQSA-N 1 3 324.425 -0.430 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC001188963774 834031120 /nfs/dbraw/zinc/03/11/20/834031120.db2.gz ROAJBYNUUAOQNW-BFHYXJOUSA-N 1 3 320.437 -0.251 20 0 DBADHO C[N@H+](CC1CCOC1)C1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090590 834218916 /nfs/dbraw/zinc/21/89/16/834218916.db2.gz DAUAYENQYYQACV-MNOVXSKESA-N 1 3 319.352 -0.063 20 0 DBADHO C[N@@H+](CC1CCOC1)C1CCN(C(=O)C(=O)NCC(F)F)C1 ZINC001191090590 834218922 /nfs/dbraw/zinc/21/89/22/834218922.db2.gz DAUAYENQYYQACV-MNOVXSKESA-N 1 3 319.352 -0.063 20 0 DBADHO [NH3+]CCS(=O)(=O)[N-]c1c(F)cccc1N1CC[NH2+]CC1 ZINC001237850884 834346808 /nfs/dbraw/zinc/34/68/08/834346808.db2.gz GJRVBTLIMLCOHX-UHFFFAOYSA-N 1 3 302.375 -0.064 20 0 DBADHO CCOC(=O)C[C@@H](NS(=O)(=O)CCN)C1CC[NH2+]CC1 ZINC001238512876 834356910 /nfs/dbraw/zinc/35/69/10/834356910.db2.gz RTQSHTUPWNBMEW-LLVKDONJSA-N 1 3 307.416 -0.814 20 0 DBADHO C[NH+](C)C[C@@H]1Cn2ccnc2CN(S(=O)(=O)CCN)C1 ZINC001239077703 834380404 /nfs/dbraw/zinc/38/04/04/834380404.db2.gz SZIZXTXGZZCNNU-LLVKDONJSA-N 1 3 301.416 -0.835 20 0 DBADHO S=C(NCCN1CCCCC1)N1CCN[C@]2(CC[NH2+]C2)C1 ZINC001239425761 834398582 /nfs/dbraw/zinc/39/85/82/834398582.db2.gz QAQOXBUFARCIHB-HNNXBMFYSA-N 1 3 311.499 -0.016 20 0 DBADHO COC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=S)NCCN1CCCCC1 ZINC001239447640 834400328 /nfs/dbraw/zinc/40/03/28/834400328.db2.gz GVRSSQGRUWSRIF-NEPJUHHUSA-N 1 3 314.455 -0.079 20 0 DBADHO O[C@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COCc1ccco1 ZINC001245975667 834405471 /nfs/dbraw/zinc/40/54/71/834405471.db2.gz PPTGQXZQODKVCF-KWCYVHTRSA-N 1 3 302.346 -0.191 20 0 DBADHO [NH3+][C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC[C@@H]1COCCN1 ZINC001245996284 834407451 /nfs/dbraw/zinc/40/74/51/834407451.db2.gz VDYOJQVUQFBHOK-QLFBSQMISA-N 1 3 315.364 -0.227 20 0 DBADHO CCOC[C@H](O)C[N@@H+]1C[C@H]2CNCC[C@@]2(C(=O)OCC)C1 ZINC001246046006 834413352 /nfs/dbraw/zinc/41/33/52/834413352.db2.gz MKZUFQAKJVTGDA-UMVBOHGHSA-N 1 3 300.399 -0.142 20 0 DBADHO CCOC[C@H](O)C[N@H+]1C[C@H]2CNCC[C@@]2(C(=O)OCC)C1 ZINC001246046006 834413360 /nfs/dbraw/zinc/41/33/60/834413360.db2.gz MKZUFQAKJVTGDA-UMVBOHGHSA-N 1 3 300.399 -0.142 20 0 DBADHO O[C@H](CN1CCNC[C@@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246059971 834414898 /nfs/dbraw/zinc/41/48/98/834414898.db2.gz RNCDQJRFZGRUQM-WDEREUQCSA-N 1 3 311.348 -0.312 20 0 DBADHO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246088041 834417077 /nfs/dbraw/zinc/41/70/77/834417077.db2.gz IBDGSOSGWOSCJC-JUFZMCDQSA-N 1 3 317.405 -0.289 20 0 DBADHO CC[C@]1(C(=O)OC)C[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246088903 834417886 /nfs/dbraw/zinc/41/78/86/834417886.db2.gz MAEVEVRZFYFAAJ-ZMJPVWNMSA-N 1 3 303.378 -0.678 20 0 DBADHO C[C@H](N[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)[C@H]1CNCCO1 ZINC001246288488 834427364 /nfs/dbraw/zinc/42/73/64/834427364.db2.gz AZNIHUSQUQMPST-QNWHQSFQSA-N 1 3 314.455 -0.784 20 0 DBADHO CC[C@]1(C(=O)OC)C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246406201 834434236 /nfs/dbraw/zinc/43/42/36/834434236.db2.gz RXSVXUQZABUJQR-UHIISALHSA-N 1 3 300.403 -0.757 20 0 DBADHO CC(C)(C)OC(=O)[C@@H](N)C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246495417 834438439 /nfs/dbraw/zinc/43/84/39/834438439.db2.gz PDYAQNHCYDLXNE-OLZOCXBDSA-N 1 3 310.442 -0.319 20 0 DBADHO CCOC(=O)[C@@H](N)Cc1cn([C@H]2CC[NH2+]C3(CNC3)C2)cn1 ZINC001246527451 834440953 /nfs/dbraw/zinc/44/09/53/834440953.db2.gz YEKNGNGJLKBWPG-STQMWFEESA-N 1 3 307.398 -0.418 20 0 DBADHO CN(C[C@@H]1CNCCO1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246551072 834441026 /nfs/dbraw/zinc/44/10/26/834441026.db2.gz OUWFAYBEAYDXLV-AVGNSLFASA-N 1 3 314.455 -0.830 20 0 DBADHO O[C@]1(C(F)(F)F)COCCN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246577547 834441076 /nfs/dbraw/zinc/44/10/76/834441076.db2.gz RYMQQPXKGGPSSA-JQWIXIFHSA-N 1 3 309.332 -0.294 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001192970659 834449138 /nfs/dbraw/zinc/44/91/38/834449138.db2.gz WNYDCKAYCNNXNW-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001192970659 834449143 /nfs/dbraw/zinc/44/91/43/834449143.db2.gz WNYDCKAYCNNXNW-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO CC(=O)N1CCC[C@@]2(C1)CN([C@@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246760749 834452619 /nfs/dbraw/zinc/45/26/19/834452619.db2.gz QOTVIGUTSGIDCT-NVXWUHKLSA-N 1 3 322.453 -0.206 20 0 DBADHO COC(=O)[C@H]1COCCC12CN([C@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854253 834458678 /nfs/dbraw/zinc/45/86/78/834458678.db2.gz PQELVJFRIRQWMD-QWHCGFSZSA-N 1 3 309.410 -0.408 20 0 DBADHO Nc1cccnc1N1CCN([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246854933 834458795 /nfs/dbraw/zinc/45/87/95/834458795.db2.gz IERPZWSWRWKMMG-CYBMUJFWSA-N 1 3 302.426 -0.120 20 0 DBADHO CCOC(=O)[C@@H]1C[C@@H](N2CCC[C@@H](N3CC([NH3+])C3)C2)CCN1 ZINC001246871573 834460252 /nfs/dbraw/zinc/46/02/52/834460252.db2.gz NKALRDQKBIAOLE-ZNMIVQPWSA-N 1 3 310.442 -0.223 20 0 DBADHO COC(=O)[C@@H]1CC[C@H](N2CC[C@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246976288 834465632 /nfs/dbraw/zinc/46/56/32/834465632.db2.gz NSEKAOMSMIPHFS-KKUMJFAQSA-N 1 3 310.442 -0.223 20 0 DBADHO C[C@@H]1C[C@@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)CC[NH2+]1 ZINC001247009807 834467601 /nfs/dbraw/zinc/46/76/01/834467601.db2.gz MDFPUDLLGZABBG-FHUSYTEZSA-N 1 3 301.412 -0.728 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247007097 834467688 /nfs/dbraw/zinc/46/76/88/834467688.db2.gz DYVSIDIOWUGRSO-KVSVUVNWSA-N 1 3 301.412 -0.871 20 0 DBADHO C[C@H]1C[NH2+]CC[C@@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247007099 834468007 /nfs/dbraw/zinc/46/80/07/834468007.db2.gz DYVSIDIOWUGRSO-PPCPHDFISA-N 1 3 301.412 -0.871 20 0 DBADHO CCC(=O)[C@H]1C[C@H](N2C[C@H]3CC[NH2+]CC[C@H]3S2(=O)=O)CN1 ZINC001247010084 834468872 /nfs/dbraw/zinc/46/88/72/834468872.db2.gz MSNOPNQVJKWIBN-GFQSEFKGSA-N 1 3 315.439 -0.290 20 0 DBADHO F[C@H]1CN([C@@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1N1CCOCC1 ZINC001247014093 834468996 /nfs/dbraw/zinc/46/89/96/834468996.db2.gz CPZAZEDRZKEUQA-QLFBSQMISA-N 1 3 312.433 -0.175 20 0 DBADHO CCOC(=O)C[C@H](O)C[NH2+]CCN1CCN(C(C)C)CC1 ZINC001253807597 834580740 /nfs/dbraw/zinc/58/07/40/834580740.db2.gz DGYRUCVTVHMPLB-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO OCC(CO)(CO)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001254049875 834585520 /nfs/dbraw/zinc/58/55/20/834585520.db2.gz QALAIMPMWAAJKZ-UHFFFAOYSA-N 1 3 324.421 -0.681 20 0 DBADHO C[C@@H](CC(=O)N1CCOCC1)N[C@]1(C[NH3+])CN2CCC1CC2 ZINC001256330317 834624784 /nfs/dbraw/zinc/62/47/84/834624784.db2.gz NHCXKEPIZDBAFW-XJKSGUPXSA-N 1 3 310.442 -0.364 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O ZINC001195700736 834717364 /nfs/dbraw/zinc/71/73/64/834717364.db2.gz GXOVPLIYPGFMMN-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H](CN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1)OC ZINC001195700363 834717508 /nfs/dbraw/zinc/71/75/08/834717508.db2.gz BSBVSTBFSFNHHJ-BFHYXJOUSA-N 1 3 301.431 -0.086 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195708084 834718330 /nfs/dbraw/zinc/71/83/30/834718330.db2.gz DOXHJCMREAFKPQ-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001262071191 834902614 /nfs/dbraw/zinc/90/26/14/834902614.db2.gz SVEAZNLSZSSYEG-MBNYWOFBSA-N 1 3 324.425 -0.696 20 0 DBADHO CN(CCCNC(=O)CCC[NH+](C)C)[C@@H]1CCC(=O)NC1=O ZINC001265028621 835077323 /nfs/dbraw/zinc/07/73/23/835077323.db2.gz DTEONLXXPOYFGN-GFCCVEGCSA-N 1 3 312.414 -0.429 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1)C1CC1 ZINC001200688092 835145297 /nfs/dbraw/zinc/14/52/97/835145297.db2.gz KODMQEQZNLTGRF-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@H](C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001200796273 835151872 /nfs/dbraw/zinc/15/18/72/835151872.db2.gz WXELJYHDXHUBRK-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201052962 835166314 /nfs/dbraw/zinc/16/63/14/835166314.db2.gz IMIKDRORBGGFGM-HUUCEWRRSA-N 1 3 313.442 -0.086 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336281 835183525 /nfs/dbraw/zinc/18/35/25/835183525.db2.gz UCWXQTPZLLZDJP-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001265941918 835204054 /nfs/dbraw/zinc/20/40/54/835204054.db2.gz PSWFXRWGKHHZTD-NWDGAFQWSA-N 1 3 310.398 -0.676 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001201932026 835220902 /nfs/dbraw/zinc/22/09/02/835220902.db2.gz REHGHABWNORYBM-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001202162849 835235981 /nfs/dbraw/zinc/23/59/81/835235981.db2.gz ALOXOJAISSTBSS-STQMWFEESA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001266149317 835238253 /nfs/dbraw/zinc/23/82/53/835238253.db2.gz UKICGPBSOMQERU-YPMHNXCESA-N 1 3 324.425 -0.240 20 0 DBADHO CC[C@@H](C(=O)N1CCC([NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001202531255 835253234 /nfs/dbraw/zinc/25/32/34/835253234.db2.gz DQPZHZCPNOZZMI-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO O=C(C[NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)NC1CC1 ZINC001202667403 835261006 /nfs/dbraw/zinc/26/10/06/835261006.db2.gz KDLAPNAGCNRUQL-UHFFFAOYSA-N 1 3 305.382 -0.189 20 0 DBADHO CCN(CC)CC(=O)N1CCC([NH2+]C[C@H](O)COC)CC1 ZINC001203010373 835277930 /nfs/dbraw/zinc/27/79/30/835277930.db2.gz LFIGIRCTQIFAJC-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001203456374 835296582 /nfs/dbraw/zinc/29/65/82/835296582.db2.gz WJNVYCAQFFRLSL-UHFFFAOYSA-N 1 3 319.471 -0.047 20 0 DBADHO CCCN(C)CC(=O)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC001203455679 835297364 /nfs/dbraw/zinc/29/73/64/835297364.db2.gz JLOMQHDLOJDRQJ-ZDUSSCGKSA-N 1 3 324.425 -0.286 20 0 DBADHO O=C(C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1)NC1CC1 ZINC001203705219 835306027 /nfs/dbraw/zinc/30/60/27/835306027.db2.gz ONUJUBPWLOSJHP-UHFFFAOYSA-N 1 3 308.426 -0.059 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001266439052 835308466 /nfs/dbraw/zinc/30/84/66/835308466.db2.gz HDEYVUQHHIKNOI-CHWSQXEVSA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203925474 835311559 /nfs/dbraw/zinc/31/15/59/835311559.db2.gz PARLGLSINNKVQK-UHFFFAOYSA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@H](O)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204794278 835327330 /nfs/dbraw/zinc/32/73/30/835327330.db2.gz ZYIVMRKPOKFULE-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001204794279 835327497 /nfs/dbraw/zinc/32/74/97/835327497.db2.gz ZYIVMRKPOKFULE-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)C(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204799456 835328315 /nfs/dbraw/zinc/32/83/15/835328315.db2.gz XJWCDLMYTPEUKU-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)C[NH2+]C[C@H]1O ZINC001204856059 835329696 /nfs/dbraw/zinc/32/96/96/835329696.db2.gz FCRWIUUNYJPHNJ-IUODEOHRSA-N 1 3 301.350 -0.001 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001266533787 835330786 /nfs/dbraw/zinc/33/07/86/835330786.db2.gz QOGWOMKYIGLJDX-HUUCEWRRSA-N 1 3 313.442 -0.225 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266533787 835330793 /nfs/dbraw/zinc/33/07/93/835330793.db2.gz QOGWOMKYIGLJDX-HUUCEWRRSA-N 1 3 313.442 -0.225 20 0 DBADHO NC(=O)[C@H](N)CCc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001205871672 835364865 /nfs/dbraw/zinc/36/48/65/835364865.db2.gz VXSWCXCPPNLBMT-SECBINFHSA-N 1 3 302.338 -0.478 20 0 DBADHO CN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCCN1C ZINC001266809378 835387895 /nfs/dbraw/zinc/38/78/95/835387895.db2.gz WWUNFKNDTWJIMJ-NEPJUHHUSA-N 1 3 310.398 -0.676 20 0 DBADHO CS(=O)(=O)CCC[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001267025162 835430960 /nfs/dbraw/zinc/43/09/60/835430960.db2.gz KZDOUBLDSQIRRN-ZDUSSCGKSA-N 1 3 317.455 -0.293 20 0 DBADHO COC[C@H](O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206929201 835438002 /nfs/dbraw/zinc/43/80/02/835438002.db2.gz YTNPHNFALIIZTF-OAHLLOKOSA-N 1 3 313.442 -0.082 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001267372446 835496595 /nfs/dbraw/zinc/49/65/95/835496595.db2.gz QBJNNAHXCVMQTP-QWHCGFSZSA-N 1 3 324.425 -0.288 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@H]1CCC(=O)NC1=O ZINC001267372446 835496600 /nfs/dbraw/zinc/49/66/00/835496600.db2.gz QBJNNAHXCVMQTP-QWHCGFSZSA-N 1 3 324.425 -0.288 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001268010659 835619691 /nfs/dbraw/zinc/61/96/91/835619691.db2.gz CSNPBJBTWRPHFC-KOLCDFICSA-N 1 3 321.381 -0.592 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268010661 835619877 /nfs/dbraw/zinc/61/98/77/835619877.db2.gz CSNPBJBTWRPHFC-MWLCHTKSSA-N 1 3 321.381 -0.592 20 0 DBADHO C[C@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)[C@H]1CCCN1C ZINC001268055215 835626969 /nfs/dbraw/zinc/62/69/69/835626969.db2.gz NFVZYEWJGMRLML-CHWSQXEVSA-N 1 3 324.425 -0.334 20 0 DBADHO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1CCCN1C ZINC001268080798 835629502 /nfs/dbraw/zinc/62/95/02/835629502.db2.gz ZANFWNJRNWRGPP-QWHCGFSZSA-N 1 3 311.430 -0.458 20 0 DBADHO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@H]1CCCN1C ZINC001268080797 835629698 /nfs/dbraw/zinc/62/96/98/835629698.db2.gz ZANFWNJRNWRGPP-CHWSQXEVSA-N 1 3 311.430 -0.458 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001268091134 835632002 /nfs/dbraw/zinc/63/20/02/835632002.db2.gz AWYBXBIRTPLCKS-VXGBXAGGSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@@H]1CCC(=O)NC1=O ZINC001268091134 835632006 /nfs/dbraw/zinc/63/20/06/835632006.db2.gz AWYBXBIRTPLCKS-VXGBXAGGSA-N 1 3 312.414 -0.430 20 0 DBADHO C[C@@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001268369307 835678413 /nfs/dbraw/zinc/67/84/13/835678413.db2.gz VEAWTFGDPWEDPW-NWDGAFQWSA-N 1 3 324.425 -0.240 20 0 DBADHO CCN(CCNCC(=O)NC)C(=O)COC1CC[NH+](C)CC1 ZINC001268488463 835707442 /nfs/dbraw/zinc/70/74/42/835707442.db2.gz KKCKFTUVFKWQPW-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCN1CCCC1=O ZINC001268524858 835717041 /nfs/dbraw/zinc/71/70/41/835717041.db2.gz WEQKHYORYMYUDY-BAABZTOOSA-N 1 3 308.426 -0.035 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001485625055 1013300818 /nfs/dbraw/zinc/30/08/18/1013300818.db2.gz ZWJWABUMTNREBI-YIYPIFLZSA-N 1 3 308.426 -0.489 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001485625055 1013300827 /nfs/dbraw/zinc/30/08/27/1013300827.db2.gz ZWJWABUMTNREBI-YIYPIFLZSA-N 1 3 308.426 -0.489 20 0 DBADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485834641 1013383632 /nfs/dbraw/zinc/38/36/32/1013383632.db2.gz QXPQUGQOWQSCGG-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485834641 1013383642 /nfs/dbraw/zinc/38/36/42/1013383642.db2.gz QXPQUGQOWQSCGG-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001485924162 1013435032 /nfs/dbraw/zinc/43/50/32/1013435032.db2.gz UYHBYRWFCILLMH-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCC(=O)NC1=O ZINC001485941295 1013437783 /nfs/dbraw/zinc/43/77/83/1013437783.db2.gz NSLZKIFDIJVLNO-NEPJUHHUSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H]1CCC(=O)NC1=O ZINC001485941295 1013437801 /nfs/dbraw/zinc/43/78/01/1013437801.db2.gz NSLZKIFDIJVLNO-NEPJUHHUSA-N 1 3 312.414 -0.430 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001485962475 1013450578 /nfs/dbraw/zinc/45/05/78/1013450578.db2.gz YGYRABSWRBGVSB-RYUDHWBXSA-N 1 3 312.414 -0.432 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001486233844 1013724167 /nfs/dbraw/zinc/72/41/67/1013724167.db2.gz OIVYKLQXBFUVHD-NEPJUHHUSA-N 1 3 316.421 -0.022 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]C[C@@H]2CCOC2)C1 ZINC001051848450 977516009 /nfs/dbraw/zinc/51/60/09/977516009.db2.gz RQMGYFOUEBZUAK-JSGCOSHPSA-N 1 3 308.382 -0.194 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCO[C@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001051848452 977517166 /nfs/dbraw/zinc/51/71/66/977517166.db2.gz RQMGYFOUEBZUAK-TZMCWYRMSA-N 1 3 308.382 -0.194 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157969318 978154935 /nfs/dbraw/zinc/15/49/35/978154935.db2.gz LSSMSIHSJYWHFG-VIFPVBQESA-N 1 3 320.315 -0.972 20 0 DBADHO CC(=O)N1CCOC[C@@]2(CN(CC3CC[NH2+]CC3)CCO2)C1 ZINC001207435340 978197168 /nfs/dbraw/zinc/19/71/68/978197168.db2.gz LSGPKWROFLOCOU-MRXNPFEDSA-N 1 3 311.426 -0.064 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]([NH2+]CC(N)=O)C1 ZINC001208261594 978326611 /nfs/dbraw/zinc/32/66/11/978326611.db2.gz QEMGDFCLMDSUND-RYUDHWBXSA-N 1 3 302.394 -0.268 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001208262202 978327581 /nfs/dbraw/zinc/32/75/81/978327581.db2.gz ZSZPDVTWORHQTM-CHWSQXEVSA-N 1 3 316.421 -0.007 20 0 DBADHO CN(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1)C1CC1 ZINC001208335396 978347461 /nfs/dbraw/zinc/34/74/61/978347461.db2.gz SWWZTYQSMWNZQN-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CCC(=O)N1CCC[C@H](NCC(N)=O)C1)c1cc[nH+]cc1 ZINC001208463782 978374777 /nfs/dbraw/zinc/37/47/77/978374777.db2.gz SPEROAKVMFCWFA-ZDUSSCGKSA-N 1 3 319.409 -0.026 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001209302988 978447836 /nfs/dbraw/zinc/44/78/36/978447836.db2.gz ILBIYIHMDSPMPX-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001210217350 978503098 /nfs/dbraw/zinc/50/30/98/978503098.db2.gz HQCKJFRIOKCRLQ-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673799 978524402 /nfs/dbraw/zinc/52/44/02/978524402.db2.gz IDHNGMCNLJERQF-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673799 978524407 /nfs/dbraw/zinc/52/44/07/978524407.db2.gz IDHNGMCNLJERQF-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO Cn1nncc1CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210678955 978528393 /nfs/dbraw/zinc/52/83/93/978528393.db2.gz YSIDRDAGVPCZMP-ZDUSSCGKSA-N 1 3 324.429 -0.526 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001211063825 978552694 /nfs/dbraw/zinc/55/26/94/978552694.db2.gz AUQCKTXCWATHJU-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001211063825 978552701 /nfs/dbraw/zinc/55/27/01/978552701.db2.gz AUQCKTXCWATHJU-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO CCOC(=O)[C@@H]1CNCCN1Cc1cnc2n1CC[NH2+]CC2 ZINC001211352690 978568350 /nfs/dbraw/zinc/56/83/50/978568350.db2.gz BSPILVTXPLTANZ-ZDUSSCGKSA-N 1 3 307.398 -0.634 20 0 DBADHO CCN(C)C(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1C ZINC001214344232 978725320 /nfs/dbraw/zinc/72/53/20/978725320.db2.gz PKZSWZDZPNFGEW-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214343848 978725850 /nfs/dbraw/zinc/72/58/50/978725850.db2.gz IDJPCEOSTYKFPU-MRVWCRGKSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCOCCO ZINC001214855715 978754639 /nfs/dbraw/zinc/75/46/39/978754639.db2.gz LXGMDQPNCRJGGJ-BPLDGKMQSA-N 1 3 313.442 -0.228 20 0 DBADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)N(C)C ZINC001215453418 978768967 /nfs/dbraw/zinc/76/89/67/978768967.db2.gz ABQMQLWUBQQUOH-TZMCWYRMSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN1CC[C@@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)C1=O ZINC001215462903 978771438 /nfs/dbraw/zinc/77/14/38/978771438.db2.gz AGFRPRTXTPHXLQ-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001215778624 978775036 /nfs/dbraw/zinc/77/50/36/978775036.db2.gz VJIYGDPTZZLILQ-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405699 978785292 /nfs/dbraw/zinc/78/52/92/978785292.db2.gz PKUHYVOUSGKWMN-CHWSQXEVSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCc1cnnn1C ZINC001216401664 978785898 /nfs/dbraw/zinc/78/58/98/978785898.db2.gz OWKZDDYPYJYBAR-TZMCWYRMSA-N 1 3 324.429 -0.670 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754288 978792965 /nfs/dbraw/zinc/79/29/65/978792965.db2.gz OFTQHQJZPGHRHJ-MGPQQGTHSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754288 978792967 /nfs/dbraw/zinc/79/29/67/978792967.db2.gz OFTQHQJZPGHRHJ-MGPQQGTHSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CN(CCc2nnc([C@H]3C[NH2+]CC34CNC4)o2)C[C@@H](C)O1 ZINC001217705049 978813241 /nfs/dbraw/zinc/81/32/41/978813241.db2.gz YOOKRZMLVPNKMC-JHJVBQTASA-N 1 3 321.425 -0.002 20 0 DBADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@@H]2C[NH2+]CCOC2)c1 ZINC001218047220 978818648 /nfs/dbraw/zinc/81/86/48/978818648.db2.gz HSXSQGSYSMXRNU-OLZOCXBDSA-N 1 3 323.393 -0.283 20 0 DBADHO c1cc(OC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)n2nc3c(c2n1)CNCC3 ZINC001218083664 978821008 /nfs/dbraw/zinc/82/10/08/978821008.db2.gz PRVCUATXWJYVRE-MISXGVKJSA-N 1 3 315.377 -0.012 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H](C)C1C[NH2+]C1 ZINC001218194764 978821349 /nfs/dbraw/zinc/82/13/49/978821349.db2.gz MZJBEDVTJQDBGJ-QMMMGPOBSA-N 1 3 324.381 -0.253 20 0 DBADHO Cn1ncc2c1ncnc2NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218557272 978830854 /nfs/dbraw/zinc/83/08/54/978830854.db2.gz MVTKYCLFVAYZEW-YMTOWFKASA-N 1 3 301.354 -0.499 20 0 DBADHO COCCCN(C(=O)[C@H]1C[NH2+]CC12CNC2)c1ncccc1N ZINC001218560634 978830876 /nfs/dbraw/zinc/83/08/76/978830876.db2.gz JZJCNGDOGVOUFT-GFCCVEGCSA-N 1 3 319.409 -0.158 20 0 DBADHO CN(C)c1ccncc1NC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001218563076 978831481 /nfs/dbraw/zinc/83/14/81/978831481.db2.gz JTPTXJVXAPPTBI-LBPRGKRZSA-N 1 3 306.414 -0.164 20 0 DBADHO CN1CCN(c2cc(NC(=O)[C@@H](N)CCCC[NH3+])ncn2)CC1 ZINC001218572783 978832783 /nfs/dbraw/zinc/83/27/83/978832783.db2.gz NPRCVARLIGRGOY-LBPRGKRZSA-N 1 3 321.429 -0.377 20 0 DBADHO Cn1nc(Br)cc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218582263 978834016 /nfs/dbraw/zinc/83/40/16/978834016.db2.gz GYBPJQQLQGFJTP-ZETCQYMHSA-N 1 3 314.187 -0.070 20 0 DBADHO CN1CCN(c2ncc(NC(=O)[C@@H](N)CCC[NH3+])cn2)CC1 ZINC001218579655 978834085 /nfs/dbraw/zinc/83/40/85/978834085.db2.gz JLRZOKRBRFGCHF-LBPRGKRZSA-N 1 3 307.402 -0.767 20 0 DBADHO O=C(Nc1nc(Cl)nc2[nH]cnc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001218586939 978834246 /nfs/dbraw/zinc/83/42/46/978834246.db2.gz HQIITRGCZSXVFK-LURJTMIESA-N 1 3 307.745 -0.246 20 0 DBADHO COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218596499 978835293 /nfs/dbraw/zinc/83/52/93/978835293.db2.gz IVONYZOAAHZUAD-MRVPVSSYSA-N 1 3 312.326 -0.407 20 0 DBADHO O=C(Nc1csc(N2CCOCC2)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001218623121 978838117 /nfs/dbraw/zinc/83/81/17/978838117.db2.gz ZRDZUDVQEIVOMS-SNVBAGLBSA-N 1 3 323.422 -0.273 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640598 978839157 /nfs/dbraw/zinc/83/91/57/978839157.db2.gz KOFIQWGCJUHMBT-ZANVPECISA-N 1 3 308.386 -0.545 20 0 DBADHO CCOC(=O)c1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)n(C)n1 ZINC001218636725 978839941 /nfs/dbraw/zinc/83/99/41/978839941.db2.gz GBXZCTONMMWPKM-SECBINFHSA-N 1 3 307.354 -0.656 20 0 DBADHO COc1ncnc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1OC ZINC001218652589 978841291 /nfs/dbraw/zinc/84/12/91/978841291.db2.gz HXWHURLVQNCCKH-YMTOWFKASA-N 1 3 307.354 -0.369 20 0 DBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2ncnc3c2ncn3[C@H]2CCCO2)C1 ZINC001218644638 978841306 /nfs/dbraw/zinc/84/13/06/978841306.db2.gz YHLRJGBTFIFZHA-KXUCPTDWSA-N 1 3 317.353 -0.237 20 0 DBADHO CCOc1cc(N)n(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(=N)n1 ZINC001218680788 978844031 /nfs/dbraw/zinc/84/40/31/978844031.db2.gz KHRCPROFYPBHDS-YMTOWFKASA-N 1 3 306.370 -0.817 20 0 DBADHO CN1CCNC[C@H]1C(=O)Nc1ccc(N2CCC([NH3+])CC2)nc1 ZINC001218724343 978848144 /nfs/dbraw/zinc/84/81/44/978848144.db2.gz NVUIOSGOOOJABA-AWEZNQCLSA-N 1 3 318.425 -0.149 20 0 DBADHO O=C(Nc1ccnn1Br)[C@@H]1C[NH2+]CC12CNC2 ZINC001218772477 978852036 /nfs/dbraw/zinc/85/20/36/978852036.db2.gz PCLODGBLAUFSTN-ZETCQYMHSA-N 1 3 300.160 -0.211 20 0 DBADHO Nc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(CCO)c1 ZINC001218919413 978859204 /nfs/dbraw/zinc/85/92/04/978859204.db2.gz OVQDNQBTGMVRTF-MLGOLLRUSA-N 1 3 304.394 -0.059 20 0 DBADHO Nc1ccc(S(N)(=O)=O)cc1NC(=O)[C@@H](N)CCCC[NH3+] ZINC001218915454 978859484 /nfs/dbraw/zinc/85/94/84/978859484.db2.gz PVCANEJWYRTPNX-JTQLQIEISA-N 1 3 315.399 -0.689 20 0 DBADHO NC(=O)Cc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001218955206 978862842 /nfs/dbraw/zinc/86/28/42/978862842.db2.gz TXUSEBBUGYUZOV-MLGOLLRUSA-N 1 3 302.378 -0.148 20 0 DBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001219027959 978864261 /nfs/dbraw/zinc/86/42/61/978864261.db2.gz JESULZLEVSAGRH-ZDUSSCGKSA-N 1 3 318.377 -0.563 20 0 DBADHO Nc1cccc2c1CS(=O)(=O)N2C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219417615 978937600 /nfs/dbraw/zinc/93/76/00/978937600.db2.gz XZBDDFWYXWJZJC-JTQLQIEISA-N 1 3 322.390 -0.746 20 0 DBADHO Cc1cccn2c(CNC(=O)[C@H](N)C3CC[NH2+]CC3)nnc12 ZINC001219597617 978976356 /nfs/dbraw/zinc/97/63/56/978976356.db2.gz ORULANGWKXQGTD-CYBMUJFWSA-N 1 3 302.382 -0.019 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219697240 978996322 /nfs/dbraw/zinc/99/63/22/978996322.db2.gz PYWHHKNVMVRRSQ-JTQLQIEISA-N 1 3 301.387 -0.853 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741216 979004076 /nfs/dbraw/zinc/00/40/76/979004076.db2.gz DACJRWCMHHWGRX-KBPBESRZSA-N 1 3 321.425 -0.293 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001219816524 979023652 /nfs/dbraw/zinc/02/36/52/979023652.db2.gz NIUOGGKUVRXPPS-MJBXVCDLSA-N 1 3 319.409 -0.018 20 0 DBADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001219831236 979026768 /nfs/dbraw/zinc/02/67/68/979026768.db2.gz CQWSUIWXLXGSJC-AQDIXCGQSA-N 1 3 309.410 -0.362 20 0 DBADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)c1cncc2c1CCNC2 ZINC001219834891 979027329 /nfs/dbraw/zinc/02/73/29/979027329.db2.gz UETJFBMQMNYAIJ-HCKVZZMMSA-N 1 3 302.378 -0.166 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1C[NH2+]CC12CCOCC2 ZINC001219848432 979030903 /nfs/dbraw/zinc/03/09/03/979030903.db2.gz YSIMBVHFRBNSFE-ZOBORPQBSA-N 1 3 309.410 -0.362 20 0 DBADHO N[C@H](C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12)C1Cc2ccccc2C1 ZINC001219854638 979033244 /nfs/dbraw/zinc/03/32/44/979033244.db2.gz NYJKFRVKEICRQZ-QXSJWSMHSA-N 1 3 301.390 -0.168 20 0 DBADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219890808 979040183 /nfs/dbraw/zinc/04/01/83/979040183.db2.gz KUTNLGMQBDMQPV-XEZPLFJOSA-N 1 3 306.410 -0.402 20 0 DBADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219890808 979040191 /nfs/dbraw/zinc/04/01/91/979040191.db2.gz KUTNLGMQBDMQPV-XEZPLFJOSA-N 1 3 306.410 -0.402 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H](O)COc1ccccc1 ZINC001219918601 979042465 /nfs/dbraw/zinc/04/24/65/979042465.db2.gz OFZWKSURSGVAJZ-AAEUAGOBSA-N 1 3 313.423 -0.438 20 0 DBADHO O=C(NC[C@H](O)COc1ccccc1)[C@H]1C[NH2+]CC12CNC2 ZINC001219918113 979042507 /nfs/dbraw/zinc/04/25/07/979042507.db2.gz FEACCPZNGHSRAK-GXTWGEPZSA-N 1 3 305.378 -0.649 20 0 DBADHO C[C@H](C[NH+](C)C)NC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001219916241 979043461 /nfs/dbraw/zinc/04/34/61/979043461.db2.gz OQJDZHFJUSXKLB-VWYCJHECSA-N 1 3 300.403 -0.637 20 0 DBADHO O=C(NCCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)c1ccncc1 ZINC001219936535 979046800 /nfs/dbraw/zinc/04/68/00/979046800.db2.gz IOLIGHZHPJEWDU-CZUORRHYSA-N 1 3 317.393 -0.873 20 0 DBADHO C[NH+](C)Cc1cccc(CNC(=O)[C@H]2COC3(CNC3)CN2)c1 ZINC001219943540 979049141 /nfs/dbraw/zinc/04/91/41/979049141.db2.gz MXFSOZDISWCHLU-OAHLLOKOSA-N 1 3 318.421 -0.305 20 0 DBADHO CN1CCN(c2cccc(CNC(=O)[C@@H]3C[NH2+]CCN3)c2)CC1 ZINC001219961412 979049744 /nfs/dbraw/zinc/04/97/44/979049744.db2.gz JUSQERDYUIPDIR-INIZCTEOSA-N 1 3 317.437 -0.384 20 0 DBADHO COc1ncnc(OC)c1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220045323 979074450 /nfs/dbraw/zinc/07/44/50/979074450.db2.gz VZUVSFKWXVOJHA-VIFPVBQESA-N 1 3 315.399 -0.871 20 0 DBADHO COc1ncnc(OC)c1CNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220045388 979074722 /nfs/dbraw/zinc/07/47/22/979074722.db2.gz XYWZCSNZAPQTKL-NSHDSACASA-N 1 3 309.370 -0.563 20 0 DBADHO CCOC(=O)C(=CNC(=O)[C@@H](N)CCCC[NH3+])C(=O)OCC ZINC001220041356 979076423 /nfs/dbraw/zinc/07/64/23/979076423.db2.gz ITGPOLIMIJHWKT-NSHDSACASA-N 1 3 315.370 -0.431 20 0 DBADHO O=C(N[C@@H](CO)Cc1ccc(O)cc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220117545 979101822 /nfs/dbraw/zinc/10/18/22/979101822.db2.gz MEATZAGJENEGGV-OCCSQVGLSA-N 1 3 305.378 -0.779 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159174 979118029 /nfs/dbraw/zinc/11/80/29/979118029.db2.gz NDJFRLPJKKZQDT-JMSVASOKSA-N 1 3 311.430 -0.199 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159179 979118418 /nfs/dbraw/zinc/11/84/18/979118418.db2.gz NDJFRLPJKKZQDT-XUJVJEKNSA-N 1 3 311.430 -0.199 20 0 DBADHO O=C(NC[C@H]1CCNCC1(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220186212 979130203 /nfs/dbraw/zinc/13/02/03/979130203.db2.gz NNPSUQZPSHZVHO-NQBHXWOUSA-N 1 3 302.369 -0.454 20 0 DBADHO N[C@@H](C(=O)NCCn1nnc2ccccc21)C1CC[NH2+]CC1 ZINC001220272992 979150867 /nfs/dbraw/zinc/15/08/67/979150867.db2.gz VPCDWHAMACXCGW-CQSZACIVSA-N 1 3 302.382 -0.126 20 0 DBADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)[C@H]1CNCc2ccnn2C1 ZINC001220315684 979164999 /nfs/dbraw/zinc/16/49/99/979164999.db2.gz HAFGVXYXJCCRSA-HEHGZKQESA-N 1 3 319.409 -0.370 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220317551 979165082 /nfs/dbraw/zinc/16/50/82/979165082.db2.gz ZWNVMMKSBGFEDP-ZLDLUXBVSA-N 1 3 307.398 -0.683 20 0 DBADHO O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1[nH]nc2c1CNCC2 ZINC001220323668 979170235 /nfs/dbraw/zinc/17/02/35/979170235.db2.gz JYYRBNAOXGEALW-MEBBXXQBSA-N 1 3 305.382 -0.304 20 0 DBADHO NCc1ccc2c(n1)N(C(=O)[C@@]13C[NH2+]C[C@@H]1CCN3)CCC2 ZINC001220377073 979178961 /nfs/dbraw/zinc/17/89/61/979178961.db2.gz JCZVFCFRIDMNMT-BLLLJJGKSA-N 1 3 301.394 -0.229 20 0 DBADHO N[C@@H](C(=O)N[C@@H]1c2ccccc2CNC1=O)C1CC[NH2+]CC1 ZINC001220403345 979191148 /nfs/dbraw/zinc/19/11/48/979191148.db2.gz OJEJBZMHDDKMRW-ZIAGYGMSSA-N 1 3 302.378 -0.199 20 0 DBADHO N[C@H](C(=O)N[C@@H]1c2ccccc2CNC1=O)C1CC[NH2+]CC1 ZINC001220403344 979191980 /nfs/dbraw/zinc/19/19/80/979191980.db2.gz OJEJBZMHDDKMRW-UONOGXRCSA-N 1 3 302.378 -0.199 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@@H]32)CCNC1 ZINC001220523310 979226082 /nfs/dbraw/zinc/22/60/82/979226082.db2.gz MAROWEBDOWDQSA-QKCSRTOESA-N 1 3 323.393 -0.462 20 0 DBADHO NC(=O)c1ccccc1OCCNC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220718524 979270407 /nfs/dbraw/zinc/27/04/07/979270407.db2.gz BKJSKUXAWRPDGV-CQSZACIVSA-N 1 3 320.393 -0.393 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220790088 979284798 /nfs/dbraw/zinc/28/47/98/979284798.db2.gz OLFNUMNLFPZGJX-AUZPSNTRSA-N 1 3 319.409 -0.300 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790090 979285786 /nfs/dbraw/zinc/28/57/86/979285786.db2.gz OLFNUMNLFPZGJX-IMIFBBOLSA-N 1 3 319.409 -0.300 20 0 DBADHO CN1CCNC[C@@H]1C(=O)NC[C@@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220794488 979286562 /nfs/dbraw/zinc/28/65/62/979286562.db2.gz QJOLLQADWSYNGQ-RRFJBIMHSA-N 1 3 303.410 -0.248 20 0 DBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1CC[NH2+][C@@H]1c1cccnc1 ZINC001220794487 979288454 /nfs/dbraw/zinc/28/84/54/979288454.db2.gz QJOLLQADWSYNGQ-RBSFLKMASA-N 1 3 303.410 -0.248 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220805453 979290411 /nfs/dbraw/zinc/29/04/11/979290411.db2.gz RXJALEDTLRVYTH-QKUZVNEOSA-N 1 3 315.361 -0.261 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220800272 979291384 /nfs/dbraw/zinc/29/13/84/979291384.db2.gz OALVVHICAYUFHA-XHNCKOQMSA-N 1 3 311.304 -0.077 20 0 DBADHO COC(=O)c1cncc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001220843545 979303697 /nfs/dbraw/zinc/30/36/97/979303697.db2.gz YQLJHDSIVAPSNA-CZUORRHYSA-N 1 3 318.377 -0.317 20 0 DBADHO [NH3+]Cc1ccccc1CNC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220855307 979308242 /nfs/dbraw/zinc/30/82/42/979308242.db2.gz TZRGZDUUYOLWMZ-ZDUSSCGKSA-N 1 3 323.418 -0.462 20 0 DBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001220882045 979315578 /nfs/dbraw/zinc/31/55/78/979315578.db2.gz RJIDJLIKZDTGDM-NEPJUHHUSA-N 1 3 320.397 -0.818 20 0 DBADHO O=C(N[C@H]1CCN(Cc2cccnc2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220914872 979322142 /nfs/dbraw/zinc/32/21/42/979322142.db2.gz DBHZRFAPEOFXME-LSDHHAIUSA-N 1 3 315.421 -0.419 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001220920919 979324406 /nfs/dbraw/zinc/32/44/06/979324406.db2.gz SDEQLBVEILSUIN-KGLIPLIRSA-N 1 3 319.409 -0.131 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)NCCO[C@H]2CC[NH2+]C2)cn1 ZINC001220936092 979330221 /nfs/dbraw/zinc/33/02/21/979330221.db2.gz CGIFWQUYBBSERL-STQMWFEESA-N 1 3 308.382 -0.025 20 0 DBADHO N[C@H](C(=O)NCC(=O)NCc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001220939543 979333735 /nfs/dbraw/zinc/33/37/35/979333735.db2.gz OGBWEVOENVWQMM-HNNXBMFYSA-N 1 3 322.384 -0.115 20 0 DBADHO CCc1nnc2ccc(CNC(=O)[C@H]3C[NH2+]CC34CNC4)cn21 ZINC001220992864 979341644 /nfs/dbraw/zinc/34/16/44/979341644.db2.gz VWKBXNCLCIBPEE-GFCCVEGCSA-N 1 3 314.393 -0.283 20 0 DBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncn2ccccc12 ZINC001221008466 979347477 /nfs/dbraw/zinc/34/74/77/979347477.db2.gz UGBMXTGHNWMUNN-ZDUSSCGKSA-N 1 3 316.409 -0.299 20 0 DBADHO CC(=O)OCN1CCC(NC(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001221258313 979391029 /nfs/dbraw/zinc/39/10/29/979391029.db2.gz DXDKHRAUHFIVGH-CQSZACIVSA-N 1 3 312.414 -0.586 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@]1(CC2CC2)CCC[NH2+]1 ZINC001221246075 979391510 /nfs/dbraw/zinc/39/15/10/979391510.db2.gz OIORFHXQIGOBEJ-SWLSCSKDSA-N 1 3 311.430 -0.199 20 0 DBADHO CCOC(=O)/C=C(/NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)OCC ZINC001221262826 979394022 /nfs/dbraw/zinc/39/40/22/979394022.db2.gz QSORVBLTSYGQNS-IKNXXGATSA-N 1 3 311.382 -0.257 20 0 DBADHO C[NH+](C)CC1CCC(NC(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001221402411 979414406 /nfs/dbraw/zinc/41/44/06/979414406.db2.gz GJTYHGXBPKIVAT-JXQTWKCFSA-N 1 3 310.442 -0.447 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221398871 979415782 /nfs/dbraw/zinc/41/57/82/979415782.db2.gz ITZXJLMSXCSTRC-MJVIPROJSA-N 1 3 304.394 -0.331 20 0 DBADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)[C@H](C)C1 ZINC001221408838 979417274 /nfs/dbraw/zinc/41/72/74/979417274.db2.gz RSGJGJFBWBIZLL-RDBSUJKOSA-N 1 3 310.442 -0.448 20 0 DBADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2COC3(CNC3)CN2)[C@H](C)C1 ZINC001221408838 979417284 /nfs/dbraw/zinc/41/72/84/979417284.db2.gz RSGJGJFBWBIZLL-RDBSUJKOSA-N 1 3 310.442 -0.448 20 0 DBADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2COC3(CNC3)CN2)[C@H](C)C1 ZINC001221408833 979418700 /nfs/dbraw/zinc/41/87/00/979418700.db2.gz RSGJGJFBWBIZLL-MCIONIFRSA-N 1 3 310.442 -0.448 20 0 DBADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2COC3(CNC3)CN2)[C@H](C)C1 ZINC001221408833 979418714 /nfs/dbraw/zinc/41/87/14/979418714.db2.gz RSGJGJFBWBIZLL-MCIONIFRSA-N 1 3 310.442 -0.448 20 0 DBADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777117 979462689 /nfs/dbraw/zinc/46/26/89/979462689.db2.gz RYTILEYAHXVWRH-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO CCOC(=O)[C@@H]1CC2(CN1C[C@@H]1CNCCO1)CC[NH2+]CC2 ZINC001222215870 979501693 /nfs/dbraw/zinc/50/16/93/979501693.db2.gz MMHQBXQDYOYMFU-KBPBESRZSA-N 1 3 311.426 -0.018 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)C[C@@H]21 ZINC001326607807 979745959 /nfs/dbraw/zinc/74/59/59/979745959.db2.gz JACMYZWEWQEABI-FHIRATQRSA-N 1 3 320.437 -0.264 20 0 DBADHO CO[C@@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001346919227 980177775 /nfs/dbraw/zinc/17/77/75/980177775.db2.gz AGFVYAPJMGOENQ-LBPRGKRZSA-N 1 3 302.419 -0.911 20 0 DBADHO CC(C)([NH3+])CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001347072941 980195088 /nfs/dbraw/zinc/19/50/88/980195088.db2.gz DIEIMBUZIYBFBA-LBPRGKRZSA-N 1 3 312.414 -0.791 20 0 DBADHO CN(C)CC[N@H+](C)CCCNC(=O)CN1CCC(CO)CC1 ZINC001353690943 980814300 /nfs/dbraw/zinc/81/43/00/980814300.db2.gz ZQXNVQPSFBBGCH-UHFFFAOYSA-N 1 3 314.474 -0.310 20 0 DBADHO CN(C)CC[N@@H+](C)CCCNC(=O)CN1CCC(CO)CC1 ZINC001353690943 980814304 /nfs/dbraw/zinc/81/43/04/980814304.db2.gz ZQXNVQPSFBBGCH-UHFFFAOYSA-N 1 3 314.474 -0.310 20 0 DBADHO CN(CCCNC(=O)CN1CCC(CO)CC1)CC[NH+](C)C ZINC001353690943 980814306 /nfs/dbraw/zinc/81/43/06/980814306.db2.gz ZQXNVQPSFBBGCH-UHFFFAOYSA-N 1 3 314.474 -0.310 20 0 DBADHO CN1CCN(CCCNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)CC1 ZINC001357431340 981060437 /nfs/dbraw/zinc/06/04/37/981060437.db2.gz SUUXTTVLTVDOMH-INIZCTEOSA-N 1 3 323.441 -0.361 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@]3(O)CCOC3)CC2)CC1 ZINC001362089527 981415297 /nfs/dbraw/zinc/41/52/97/981415297.db2.gz VXDUKLCOIWWSAX-INIZCTEOSA-N 1 3 311.426 -0.187 20 0 DBADHO COC(=O)Cn1cc(CC[N@@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)nn1 ZINC001364547131 983047900 /nfs/dbraw/zinc/04/79/00/983047900.db2.gz CMVZFGBXZPCXPM-DOMZBBRYSA-N 1 3 307.398 -0.123 20 0 DBADHO COC(=O)Cn1cc(CC[N@H+]2C[C@H]3CN(C)C[C@@]3(C)C2)nn1 ZINC001364547131 983047907 /nfs/dbraw/zinc/04/79/07/983047907.db2.gz CMVZFGBXZPCXPM-DOMZBBRYSA-N 1 3 307.398 -0.123 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)n1 ZINC001364644901 983083714 /nfs/dbraw/zinc/08/37/14/983083714.db2.gz WBNUYOQHUUCDIT-UONOGXRCSA-N 1 3 321.425 -0.274 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1)N(C)C ZINC001365871051 983567385 /nfs/dbraw/zinc/56/73/85/983567385.db2.gz DDOUSNPGJRPWES-ZIAGYGMSSA-N 1 3 301.431 -0.396 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](CCO)C[C@@H](C)O)C1 ZINC001365879493 983571555 /nfs/dbraw/zinc/57/15/55/983571555.db2.gz XLZNHVFYHIKJSG-CABCVRRESA-N 1 3 315.458 -0.006 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](CCO)C[C@@H](C)O)C1 ZINC001365879493 983571575 /nfs/dbraw/zinc/57/15/75/983571575.db2.gz XLZNHVFYHIKJSG-CABCVRRESA-N 1 3 315.458 -0.006 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001365990754 983645451 /nfs/dbraw/zinc/64/54/51/983645451.db2.gz DTNOOLXEBWKKGP-GJZGRUSLSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001365990754 983645462 /nfs/dbraw/zinc/64/54/62/983645462.db2.gz DTNOOLXEBWKKGP-GJZGRUSLSA-N 1 3 323.441 -0.224 20 0 DBADHO O=C(NCCCN1CCN(CCO)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001490465713 1014971822 /nfs/dbraw/zinc/97/18/22/1014971822.db2.gz ANQGITVRTFIDLJ-INIZCTEOSA-N 1 3 324.469 -0.556 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366203162 983738471 /nfs/dbraw/zinc/73/84/71/983738471.db2.gz MTHVKWDFBFCYBV-TZMCWYRMSA-N 1 3 310.398 -0.212 20 0 DBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001366235706 983748559 /nfs/dbraw/zinc/74/85/59/983748559.db2.gz OBRXPSISADYIGF-NJURLYQPSA-N 1 3 320.437 -0.204 20 0 DBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001366235706 983748566 /nfs/dbraw/zinc/74/85/66/983748566.db2.gz OBRXPSISADYIGF-NJURLYQPSA-N 1 3 320.437 -0.204 20 0 DBADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NCC(=O)N(C)C ZINC001366348650 983808492 /nfs/dbraw/zinc/80/84/92/983808492.db2.gz WOCSLACUJBFKQI-LBPRGKRZSA-N 1 3 314.430 -0.720 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001366387476 983821184 /nfs/dbraw/zinc/82/11/84/983821184.db2.gz JUMPZSZPDDZPFZ-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001366387476 983821187 /nfs/dbraw/zinc/82/11/87/983821187.db2.gz JUMPZSZPDDZPFZ-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001366387474 983821243 /nfs/dbraw/zinc/82/12/43/983821243.db2.gz JUMPZSZPDDZPFZ-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)C1 ZINC001366387474 983821245 /nfs/dbraw/zinc/82/12/45/983821245.db2.gz JUMPZSZPDDZPFZ-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@@H](O)COC ZINC001366612502 983879407 /nfs/dbraw/zinc/87/94/07/983879407.db2.gz CPAASLDNAAGXMN-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@@H](O)COC ZINC001366612502 983879409 /nfs/dbraw/zinc/87/94/09/983879409.db2.gz CPAASLDNAAGXMN-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1CC[N@H+](C[C@H](O)COC)C1)N(C)C ZINC001366705852 983934721 /nfs/dbraw/zinc/93/47/21/983934721.db2.gz WKTCWCFTRBEQSL-MELADBBJSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)COC)C1)N(C)C ZINC001366705852 983934731 /nfs/dbraw/zinc/93/47/31/983934731.db2.gz WKTCWCFTRBEQSL-MELADBBJSA-N 1 3 301.431 -0.228 20 0 DBADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCCNC1=O ZINC001366866905 984030335 /nfs/dbraw/zinc/03/03/35/984030335.db2.gz OLVKLILNAPCQCO-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366867856 984031885 /nfs/dbraw/zinc/03/18/85/984031885.db2.gz UYJXXIVVHHRXSB-QWHCGFSZSA-N 1 3 310.442 -0.018 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCCN(C[C@@H](O)COC)C1 ZINC001366911349 984055704 /nfs/dbraw/zinc/05/57/04/984055704.db2.gz NZHGDUFHHGBFMW-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCCN(C[C@@H](O)COC)C1 ZINC001366911349 984055711 /nfs/dbraw/zinc/05/57/11/984055711.db2.gz NZHGDUFHHGBFMW-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H](CN[C@@H](C)C(N)=O)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001367402415 984299060 /nfs/dbraw/zinc/29/90/60/984299060.db2.gz XYBNMWHCHKEOOH-NEPJUHHUSA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@H](CN[C@H](C)C(N)=O)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001367402430 984299283 /nfs/dbraw/zinc/29/92/83/984299283.db2.gz XYBNMWHCHKEOOH-VXGBXAGGSA-N 1 3 314.430 -0.593 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NC)C1 ZINC001367554265 984348612 /nfs/dbraw/zinc/34/86/12/984348612.db2.gz JJJUKOSCARHJHG-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@H](CCN2CC(=O)NC)C1 ZINC001367554265 984348620 /nfs/dbraw/zinc/34/86/20/984348620.db2.gz JJJUKOSCARHJHG-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001367589111 984395171 /nfs/dbraw/zinc/39/51/71/984395171.db2.gz ACMTXDAHDZFYDM-GFCCVEGCSA-N 1 3 314.430 -0.984 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCc1cnn(C)c1)[NH+](C)C ZINC001367624244 984485505 /nfs/dbraw/zinc/48/55/05/984485505.db2.gz QGYQERLRLBYWQT-KGLIPLIRSA-N 1 3 311.430 -0.427 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCC(N)=O)[NH+]1CCCCC1 ZINC001367634368 984497536 /nfs/dbraw/zinc/49/75/36/984497536.db2.gz YJVLHQOVFCVZRX-GXTWGEPZSA-N 1 3 314.430 -0.951 20 0 DBADHO C[C@@H](CNCC(=O)NCC(F)(F)F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367773188 984612776 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CCCN(C)CC(=O)NC[C@@]1(O)CC[N@@H+]([C@H](C)COC)C1 ZINC001368278131 985028428 /nfs/dbraw/zinc/02/84/28/985028428.db2.gz LDKPBWWZMRWMHK-HIFRSBDPSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@@]1(O)CC[N@H+]([C@H](C)COC)C1 ZINC001368278131 985028438 /nfs/dbraw/zinc/02/84/38/985028438.db2.gz LDKPBWWZMRWMHK-HIFRSBDPSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](CN1CCOCC1)C(=O)N(C)CCC[N@H+](C)CC(N)=O ZINC001368563947 985275044 /nfs/dbraw/zinc/27/50/44/985275044.db2.gz ISBIPVAEGOBXLI-ZDUSSCGKSA-N 1 3 314.430 -0.780 20 0 DBADHO C[C@@H](CN1CCOCC1)C(=O)N(C)CCC[N@@H+](C)CC(N)=O ZINC001368563947 985275063 /nfs/dbraw/zinc/27/50/63/985275063.db2.gz ISBIPVAEGOBXLI-ZDUSSCGKSA-N 1 3 314.430 -0.780 20 0 DBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCCN(C)CC(N)=O ZINC001368563947 985275079 /nfs/dbraw/zinc/27/50/79/985275079.db2.gz ISBIPVAEGOBXLI-ZDUSSCGKSA-N 1 3 314.430 -0.780 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCCS(C)(=O)=O ZINC001368663341 985338722 /nfs/dbraw/zinc/33/87/22/985338722.db2.gz 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CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001491025420 1015197157 /nfs/dbraw/zinc/19/71/57/1015197157.db2.gz GWBVOCCGNJQUAY-BETUJISGSA-N 1 3 323.441 -0.267 20 0 DBADHO CN(CCn1cccn1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369514599 986264706 /nfs/dbraw/zinc/26/47/06/986264706.db2.gz KVSLGIJOZUAWSD-HUUCEWRRSA-N 1 3 323.441 -0.414 20 0 DBADHO CN(CCn1cccn1)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369514599 986264718 /nfs/dbraw/zinc/26/47/18/986264718.db2.gz KVSLGIJOZUAWSD-HUUCEWRRSA-N 1 3 323.441 -0.414 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)C1)N(C)C ZINC001491055475 1015207551 /nfs/dbraw/zinc/20/75/51/1015207551.db2.gz OVFVKPRDPIKRNF-XQQFMLRXSA-N 1 3 319.471 -0.002 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@@H](N[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001370220119 986654633 /nfs/dbraw/zinc/65/46/33/986654633.db2.gz SABJQBUNXWWKSG-CHWSQXEVSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH+]1CCC(OCC(=O)NC[C@H](NCC(N)=O)C2CC2)CC1 ZINC001370253448 986671218 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LKBKBJCPZNUVST-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001371985817 987589112 /nfs/dbraw/zinc/58/91/12/987589112.db2.gz QBEDILPDSOHSHN-CQSZACIVSA-N 1 3 310.442 -0.049 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001372052610 987628712 /nfs/dbraw/zinc/62/87/12/987628712.db2.gz MAYUEQIOBOGUFE-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](C[C@H](O)COC)C1)N(C)C ZINC001372664953 987839598 /nfs/dbraw/zinc/83/95/98/987839598.db2.gz WKTCWCFTRBEQSL-IHRRRGAJSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)COC)C1)N(C)C ZINC001372664953 987839600 /nfs/dbraw/zinc/83/96/00/987839600.db2.gz WKTCWCFTRBEQSL-IHRRRGAJSA-N 1 3 301.431 -0.228 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H](O)COC)C1 ZINC001373509453 988414794 /nfs/dbraw/zinc/41/47/94/988414794.db2.gz LSHBNSOQUNEHTG-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CN(C[C@@H](O)COC)C1 ZINC001373509453 988414798 /nfs/dbraw/zinc/41/47/98/988414798.db2.gz LSHBNSOQUNEHTG-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)[C@@H]1CCCN1C ZINC001373640268 988518533 /nfs/dbraw/zinc/51/85/33/988518533.db2.gz VQRREZYZKXBKKB-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CN1CCCC1 ZINC001374328653 988858459 /nfs/dbraw/zinc/85/84/59/988858459.db2.gz WAUUOFJBMMPSOA-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@@H](O)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001374506102 988892504 /nfs/dbraw/zinc/89/25/04/988892504.db2.gz SWBYHZLLONABEY-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCCN1C ZINC001374506102 988892507 /nfs/dbraw/zinc/89/25/07/988892507.db2.gz SWBYHZLLONABEY-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CNC(=O)CN1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001374560262 988919818 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CC[C@H](C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC001374720121 989168684 /nfs/dbraw/zinc/16/86/84/989168684.db2.gz WZONUIQDUZIDAN-MRVWCRGKSA-N 1 3 310.442 -0.006 20 0 DBADHO CCNC(=O)CNC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001374827418 989245900 /nfs/dbraw/zinc/24/59/00/989245900.db2.gz FNVZPVJBUZBWTR-GFCCVEGCSA-N 1 3 314.430 -0.672 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001374832150 989249371 /nfs/dbraw/zinc/24/93/71/989249371.db2.gz PCGULGOPZNDKJV-AWEZNQCLSA-N 1 3 310.442 -0.147 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001374832150 989249379 /nfs/dbraw/zinc/24/93/79/989249379.db2.gz PCGULGOPZNDKJV-AWEZNQCLSA-N 1 3 310.442 -0.147 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001374849461 989263379 /nfs/dbraw/zinc/26/33/79/989263379.db2.gz NCJAEACHQYEAKU-OLZOCXBDSA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001374898311 989297236 /nfs/dbraw/zinc/29/72/36/989297236.db2.gz YCMFXXZELNIMDL-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001374912095 989308034 /nfs/dbraw/zinc/30/80/34/989308034.db2.gz YNDZDFDMGHJWFF-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC001374912095 989308041 /nfs/dbraw/zinc/30/80/41/989308041.db2.gz YNDZDFDMGHJWFF-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001374962989 989336444 /nfs/dbraw/zinc/33/64/44/989336444.db2.gz PARIWDKRGOXFND-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN([C@@H]3CCCNC3=O)C[C@H]2C1 ZINC001375630201 989702117 /nfs/dbraw/zinc/70/21/17/989702117.db2.gz FWESWYMYLWMPAZ-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(CCOC)C2)CC[N@@H+]1C ZINC001376038442 989851624 /nfs/dbraw/zinc/85/16/24/989851624.db2.gz RJSBARBLVHXABQ-LZWOXQAQSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@]2(O)CCN(CCOC)C2)CC[N@H+]1C ZINC001376038442 989851626 /nfs/dbraw/zinc/85/16/26/989851626.db2.gz RJSBARBLVHXABQ-LZWOXQAQSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001376343247 990026519 /nfs/dbraw/zinc/02/65/19/990026519.db2.gz JWRNHLKIHPSORS-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001376418779 990055225 /nfs/dbraw/zinc/05/52/25/990055225.db2.gz PKBFUUQWHUYEIN-MCIONIFRSA-N 1 3 322.453 -0.147 20 0 DBADHO C[C@H](O)CN1CCC[C@](CO)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001376504617 990126349 /nfs/dbraw/zinc/12/63/49/990126349.db2.gz WLJBURUBSALBKF-BBRMVZONSA-N 1 3 311.426 -0.594 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001491648466 1015543915 /nfs/dbraw/zinc/54/39/15/1015543915.db2.gz FPTZOFUYMQMINT-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001376821979 990334152 /nfs/dbraw/zinc/33/41/52/990334152.db2.gz SCFYDCCTOWBXDZ-NWDGAFQWSA-N 1 3 324.429 -0.713 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001376857599 990353774 /nfs/dbraw/zinc/35/37/74/990353774.db2.gz DEZDCWPQHQXQGV-QWHCGFSZSA-N 1 3 312.414 -0.968 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376940209 990394756 /nfs/dbraw/zinc/39/47/56/990394756.db2.gz LNMDXGMIAXWISV-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)C1 ZINC001377203797 990482415 /nfs/dbraw/zinc/48/24/15/990482415.db2.gz ZBUFVNJUKJSPBQ-LBPRGKRZSA-N 1 3 312.414 -0.932 20 0 DBADHO C[C@@H](NC(=O)CN1CCC(CO)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001548427817 1015568012 /nfs/dbraw/zinc/56/80/12/1015568012.db2.gz STDKZGQAPMDVHV-HIFRSBDPSA-N 1 3 312.458 -0.559 20 0 DBADHO C[C@@H](NC(=O)CN1CCC(CO)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001548427817 1015568023 /nfs/dbraw/zinc/56/80/23/1015568023.db2.gz STDKZGQAPMDVHV-HIFRSBDPSA-N 1 3 312.458 -0.559 20 0 DBADHO CCCN(C)CC(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1 ZINC001377580737 990665866 /nfs/dbraw/zinc/66/58/66/990665866.db2.gz VXVWLKBYAAAULB-ZDUSSCGKSA-N 1 3 301.431 -0.348 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001377717276 990705806 /nfs/dbraw/zinc/70/58/06/990705806.db2.gz WVSRZASBAJPPTB-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001377717276 990705815 /nfs/dbraw/zinc/70/58/15/990705815.db2.gz WVSRZASBAJPPTB-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(CC(=O)N3CCC3)C2)C1 ZINC001377718643 990708114 /nfs/dbraw/zinc/70/81/14/990708114.db2.gz JSDWHSDXTLSBIW-HUUCEWRRSA-N 1 3 322.453 -0.001 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCC[C@@H]2CCN(CC(=O)N3CCC3)C2)C1 ZINC001377718643 990708120 /nfs/dbraw/zinc/70/81/20/990708120.db2.gz JSDWHSDXTLSBIW-HUUCEWRRSA-N 1 3 322.453 -0.001 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001377761878 990724127 /nfs/dbraw/zinc/72/41/27/990724127.db2.gz QCAAWEZWVGBZCE-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001377761878 990724133 /nfs/dbraw/zinc/72/41/33/990724133.db2.gz QCAAWEZWVGBZCE-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001377796422 990736642 /nfs/dbraw/zinc/73/66/42/990736642.db2.gz APPOBRVWQNGTOO-QWRGUYRKSA-N 1 3 310.402 -0.974 20 0 DBADHO C[NH2+]C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC1 ZINC001548553079 1015590706 /nfs/dbraw/zinc/59/07/06/1015590706.db2.gz JAEBUIKRXCNFDC-UHFFFAOYSA-N 1 3 308.426 -0.105 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCN1CCNC1=O ZINC001378189838 990878426 /nfs/dbraw/zinc/87/84/26/990878426.db2.gz PWGHDRZJTQPPAH-ZDUSSCGKSA-N 1 3 323.441 -0.456 20 0 DBADHO CC[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001378243401 990894137 /nfs/dbraw/zinc/89/41/37/990894137.db2.gz HTBFYBFOYZUMRK-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)C[C@@H](CNCC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001378871289 991225641 /nfs/dbraw/zinc/22/56/41/991225641.db2.gz GEOAHMSZJMRUNI-UONOGXRCSA-N 1 3 310.442 -0.066 20 0 DBADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001378931041 991242157 /nfs/dbraw/zinc/24/21/57/991242157.db2.gz AKYVWKRZWOVCMJ-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001378931041 991242164 /nfs/dbraw/zinc/24/21/64/991242164.db2.gz AKYVWKRZWOVCMJ-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001491792298 1015624366 /nfs/dbraw/zinc/62/43/66/1015624366.db2.gz RPIDBEZWGCNAOM-KGLIPLIRSA-N 1 3 323.441 -0.456 20 0 DBADHO CN(CC[N@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@@H]1CCCN1C ZINC001379033138 991294449 /nfs/dbraw/zinc/29/44/49/991294449.db2.gz OIHWBNJVYJUBHV-GJZGRUSLSA-N 1 3 323.441 -0.272 20 0 DBADHO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)[C@@H]1CCCN1C ZINC001379033138 991294457 /nfs/dbraw/zinc/29/44/57/991294457.db2.gz OIHWBNJVYJUBHV-GJZGRUSLSA-N 1 3 323.441 -0.272 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001491792299 1015624712 /nfs/dbraw/zinc/62/47/12/1015624712.db2.gz RPIDBEZWGCNAOM-UONOGXRCSA-N 1 3 323.441 -0.456 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001379135733 991350202 /nfs/dbraw/zinc/35/02/02/991350202.db2.gz WPNBQFYTFCFLDQ-OCCSQVGLSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001379209800 991433223 /nfs/dbraw/zinc/43/32/23/991433223.db2.gz NVEAXINIORHTHC-FRRDWIJNSA-N 1 3 324.429 -0.590 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001379209800 991433229 /nfs/dbraw/zinc/43/32/29/991433229.db2.gz NVEAXINIORHTHC-FRRDWIJNSA-N 1 3 324.429 -0.590 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2ccnn2C)CC[N@@H+]1C ZINC001379212222 991438138 /nfs/dbraw/zinc/43/81/38/991438138.db2.gz SCVGZDFKUZWHTR-QLFBSQMISA-N 1 3 323.441 -0.283 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2ccnn2C)CC[N@H+]1C ZINC001379212222 991438146 /nfs/dbraw/zinc/43/81/46/991438146.db2.gz SCVGZDFKUZWHTR-QLFBSQMISA-N 1 3 323.441 -0.283 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001379266272 991498550 /nfs/dbraw/zinc/49/85/50/991498550.db2.gz POXLDRDDVQVZIV-MNOVXSKESA-N 1 3 315.418 -0.652 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H](C)C(=O)NC(N)=O ZINC001379266272 991498551 /nfs/dbraw/zinc/49/85/51/991498551.db2.gz POXLDRDDVQVZIV-MNOVXSKESA-N 1 3 315.418 -0.652 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)s1 ZINC001379280615 991511242 /nfs/dbraw/zinc/51/12/42/991511242.db2.gz DPDPNERFDNZPEL-RYUDHWBXSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)s1 ZINC001379280615 991511252 /nfs/dbraw/zinc/51/12/52/991511252.db2.gz DPDPNERFDNZPEL-RYUDHWBXSA-N 1 3 312.439 -0.030 20 0 DBADHO CCN(C)C(=O)CN[C@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379282360 991513685 /nfs/dbraw/zinc/51/36/85/991513685.db2.gz ZWUIETGVMVXVME-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001379285869 991515998 /nfs/dbraw/zinc/51/59/98/991515998.db2.gz FSKWISBARUWGJQ-HNNXBMFYSA-N 1 3 323.441 -0.137 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001379326510 991547315 /nfs/dbraw/zinc/54/73/15/991547315.db2.gz NVRVRKGXNXBWNU-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001379326510 991547319 /nfs/dbraw/zinc/54/73/19/991547319.db2.gz NVRVRKGXNXBWNU-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001379326514 991547359 /nfs/dbraw/zinc/54/73/59/991547359.db2.gz NVRVRKGXNXBWNU-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001379326514 991547371 /nfs/dbraw/zinc/54/73/71/991547371.db2.gz NVRVRKGXNXBWNU-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001379343123 991559618 /nfs/dbraw/zinc/55/96/18/991559618.db2.gz MLTQSISZZZLMJN-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001379343123 991559629 /nfs/dbraw/zinc/55/96/29/991559629.db2.gz MLTQSISZZZLMJN-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001379387212 991614285 /nfs/dbraw/zinc/61/42/85/991614285.db2.gz ZKWORGPMIXAUDI-CHWSQXEVSA-N 1 3 308.426 -0.155 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001491850449 1015651702 /nfs/dbraw/zinc/65/17/02/1015651702.db2.gz TZIDSFKLXYMCTB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001379480075 991708900 /nfs/dbraw/zinc/70/89/00/991708900.db2.gz RMWSCIYHOUOKJN-KBPBESRZSA-N 1 3 309.414 -0.708 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCCCO1 ZINC001379525707 991766390 /nfs/dbraw/zinc/76/63/90/991766390.db2.gz LZNQDGROECBRHJ-KGLIPLIRSA-N 1 3 301.431 -0.038 20 0 DBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1 ZINC001379822098 991940023 /nfs/dbraw/zinc/94/00/23/991940023.db2.gz ZCYRQQFXKSDLNL-STQMWFEESA-N 1 3 314.430 -0.997 20 0 DBADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)C1 ZINC001379822098 991940041 /nfs/dbraw/zinc/94/00/41/991940041.db2.gz ZCYRQQFXKSDLNL-STQMWFEESA-N 1 3 314.430 -0.997 20 0 DBADHO CNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001379834849 991947356 /nfs/dbraw/zinc/94/73/56/991947356.db2.gz NMYNQGYEAAKLSH-LBPRGKRZSA-N 1 3 316.446 -0.881 20 0 DBADHO CN(C)C(=O)CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001379929531 992038175 /nfs/dbraw/zinc/03/81/75/992038175.db2.gz YOPVRWCFMUOQAO-CYBMUJFWSA-N 1 3 308.426 -0.345 20 0 DBADHO C[NH+]1CCC(C(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)CC1 ZINC001380140061 992171471 /nfs/dbraw/zinc/17/14/71/992171471.db2.gz UFTNNGYDUISBLO-CYBMUJFWSA-N 1 3 308.426 -0.155 20 0 DBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001380178131 992189204 /nfs/dbraw/zinc/18/92/04/992189204.db2.gz TYLPXTSBEBLIPG-UHFFFAOYSA-N 1 3 319.471 -0.048 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001380286853 992231914 /nfs/dbraw/zinc/23/19/14/992231914.db2.gz PZKKHFRUAAKFRB-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CCC[C@H](N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001549049289 1015698825 /nfs/dbraw/zinc/69/88/25/1015698825.db2.gz JUSMQDDQEKLOGS-IHRRRGAJSA-N 1 3 323.441 -0.140 20 0 DBADHO Cn1cc(CN2CC[C@@](O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC001380547809 992382012 /nfs/dbraw/zinc/38/20/12/992382012.db2.gz BHLIOFOKOFSHBQ-GDBMZVCRSA-N 1 3 321.425 -0.433 20 0 DBADHO Cn1cc(CN2CC[C@@](O)(CNC(=O)[C@H]3CCC[N@H+]3C)C2)cn1 ZINC001380547809 992382020 /nfs/dbraw/zinc/38/20/20/992382020.db2.gz BHLIOFOKOFSHBQ-GDBMZVCRSA-N 1 3 321.425 -0.433 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(CCn3cccn3)C2)C1 ZINC001380574091 992405640 /nfs/dbraw/zinc/40/56/40/992405640.db2.gz PBJMWJUKYUAMHZ-GOEBONIOSA-N 1 3 321.425 -0.612 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@]2(O)CCN(CCn3cccn3)C2)C1 ZINC001380574091 992405647 /nfs/dbraw/zinc/40/56/47/992405647.db2.gz PBJMWJUKYUAMHZ-GOEBONIOSA-N 1 3 321.425 -0.612 20 0 DBADHO C[C@@H](O)CN1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001380747792 992518236 /nfs/dbraw/zinc/51/82/36/992518236.db2.gz KHEAMSGNMWKRIB-CJNGLKHVSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H](O)CN1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001380747799 992519851 /nfs/dbraw/zinc/51/98/51/992519851.db2.gz KHEAMSGNMWKRIB-XJKSGUPXSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H](NCCN(CCO)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001380766492 992529356 /nfs/dbraw/zinc/52/93/56/992529356.db2.gz STQRIWYRTKLBFP-GFCCVEGCSA-N 1 3 314.430 -0.997 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)NC3CC3)C2)C1 ZINC001380911815 992585006 /nfs/dbraw/zinc/58/50/06/992585006.db2.gz FKNPSIUKNWDPMO-OCCSQVGLSA-N 1 3 324.425 -0.966 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@@H](CNCC(=O)NC3CC3)C2)C1 ZINC001380911815 992585012 /nfs/dbraw/zinc/58/50/12/992585012.db2.gz FKNPSIUKNWDPMO-OCCSQVGLSA-N 1 3 324.425 -0.966 20 0 DBADHO C[C@H](NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1)C(N)=O ZINC001380911504 992585586 /nfs/dbraw/zinc/58/55/86/992585586.db2.gz GNPYPJWWMBXNBM-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001381049831 992644566 /nfs/dbraw/zinc/64/45/66/992644566.db2.gz YTGNXZWSIXNFDQ-ZFWWWQNUSA-N 1 3 313.442 -0.205 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001381226858 992715303 /nfs/dbraw/zinc/71/53/03/992715303.db2.gz PGYJZGALNOJMSB-NSHDSACASA-N 1 3 322.413 -0.230 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001381941495 992932623 /nfs/dbraw/zinc/93/26/23/992932623.db2.gz HVNDFHCWDJOPAX-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CCNC(=O)NC(=O)CN[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382121577 992996172 /nfs/dbraw/zinc/99/61/72/992996172.db2.gz ZOGBQHQDLPARPX-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO COC[C@H](C)[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001382243730 993084001 /nfs/dbraw/zinc/08/40/01/993084001.db2.gz LHNYBWQBRWWRQS-STQMWFEESA-N 1 3 301.431 -0.038 20 0 DBADHO CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC1CCOCC1)N(C)C ZINC001382267353 993107371 /nfs/dbraw/zinc/10/73/71/993107371.db2.gz HUWMDBHERMFRFT-ZIAGYGMSSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001382319642 993147215 /nfs/dbraw/zinc/14/72/15/993147215.db2.gz WGYFUPNHDZGXSL-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO CCC1([NH+]2CCOCC2)CCN(CC(=O)N2CCNCC2)CC1 ZINC001549709880 1015762007 /nfs/dbraw/zinc/76/20/07/1015762007.db2.gz XWTSPTLMOFGSDA-UHFFFAOYSA-N 1 3 324.469 -0.005 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cncn1C)N(C)C ZINC001382429023 993244202 /nfs/dbraw/zinc/24/42/02/993244202.db2.gz BNSVRYDLFLUHTF-KBPBESRZSA-N 1 3 311.430 -0.331 20 0 DBADHO C[C@H](NC[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001382435249 993250236 /nfs/dbraw/zinc/25/02/36/993250236.db2.gz BUMDHJPLWMAUKX-QWHCGFSZSA-N 1 3 314.430 -0.855 20 0 DBADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001550086873 1015787708 /nfs/dbraw/zinc/78/77/08/1015787708.db2.gz DRAHIHMKUVXKTC-MCIONIFRSA-N 1 3 320.397 -0.708 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@@H]2[NH3+])cn1 ZINC001550067142 1015783696 /nfs/dbraw/zinc/78/36/96/1015783696.db2.gz LNNJQWMPTMXPHN-AJNGGQMLSA-N 1 3 319.409 -0.464 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)C2)nn1 ZINC001550096255 1015791724 /nfs/dbraw/zinc/79/17/24/1015791724.db2.gz IJJPPHZKPYSTCZ-VNHYZAJKSA-N 1 3 304.398 -0.100 20 0 DBADHO O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@@H](O)C1)[C@H]1CN2CCN1CCC2 ZINC001550161292 1015798247 /nfs/dbraw/zinc/79/82/47/1015798247.db2.gz PMRIUZPRIOYYQR-LVQVYYBASA-N 1 3 322.453 -0.520 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1Cc2ccccc2CN1 ZINC001550114956 1015794301 /nfs/dbraw/zinc/79/43/01/1015794301.db2.gz JVDGYYYKEFUORD-LSDHHAIUSA-N 1 3 316.405 -0.315 20 0 DBADHO O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1)[C@H]1CN2CCN1CCC2 ZINC001550161292 1015798242 /nfs/dbraw/zinc/79/82/42/1015798242.db2.gz PMRIUZPRIOYYQR-LVQVYYBASA-N 1 3 322.453 -0.520 20 0 DBADHO N[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C[C@@H]1[NH3+] ZINC001550271436 1015801655 /nfs/dbraw/zinc/80/16/55/1015801655.db2.gz PNCOEHORAAXMOQ-XJFOESAGSA-N 1 3 323.441 -0.690 20 0 DBADHO N[C@H]1CN(C(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C[C@H]1[NH3+] ZINC001550271436 1015801658 /nfs/dbraw/zinc/80/16/58/1015801658.db2.gz PNCOEHORAAXMOQ-XJFOESAGSA-N 1 3 323.441 -0.690 20 0 DBADHO O=S(=O)(N[C@H]1C[NH2+]C[C@@H]1c1ccccc1)N1CCNCC1 ZINC001550440026 1015806894 /nfs/dbraw/zinc/80/68/94/1015806894.db2.gz LFUKOKHLSOPNKZ-KGLIPLIRSA-N 1 3 310.423 -0.518 20 0 DBADHO O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCNC[C@H](O)C1 ZINC001550732363 1015812813 /nfs/dbraw/zinc/81/28/13/1015812813.db2.gz SNHQMMNZVJFSSC-DZGCQCFKSA-N 1 3 304.394 -0.151 20 0 DBADHO CN1[C@H]2CN(C(=O)N[C@H]3CC[NH2+]C34CCC4)C[C@H]2C[C@H]1CO ZINC001550735279 1015812931 /nfs/dbraw/zinc/81/29/31/1015812931.db2.gz CSQQSXMWXIBUSN-RFGFWPKPSA-N 1 3 308.426 -0.023 20 0 DBADHO C[NH+](C)[C@@H]1CC[C@H]2CN(S(=O)(=O)N3CCNCC3)C[C@H]2C1 ZINC001551392461 1015819623 /nfs/dbraw/zinc/81/96/23/1015819623.db2.gz QJUSSUBUQXVPOO-BFHYXJOUSA-N 1 3 316.471 -0.202 20 0 DBADHO O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CCNC[C@@H](O)C1 ZINC001551529161 1015828910 /nfs/dbraw/zinc/82/89/10/1015828910.db2.gz BCUBUEKEDGQMQA-USWWRNFRSA-N 1 3 322.331 -0.496 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N[C@@H]2CCCN(C)C2)nn1 ZINC001552169118 1015844667 /nfs/dbraw/zinc/84/46/67/1015844667.db2.gz WCQFDEFFFDOTLM-MBNYWOFBSA-N 1 3 322.413 -0.810 20 0 DBADHO COCCN1CCC(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552169111 1015844789 /nfs/dbraw/zinc/84/47/89/1015844789.db2.gz VVWORESYPDZKTB-CYBMUJFWSA-N 1 3 322.413 -0.347 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)n1 ZINC001552214373 1015849123 /nfs/dbraw/zinc/84/91/23/1015849123.db2.gz MJDVIEIGIQTFEC-MEBBXXQBSA-N 1 3 320.397 -0.089 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC001552214369 1015849309 /nfs/dbraw/zinc/84/93/09/1015849309.db2.gz MJDVIEIGIQTFEC-BMIGLBTASA-N 1 3 320.397 -0.089 20 0 DBADHO CN1CCN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)C[C@H]1Cc1ccccc1 ZINC001552292512 1015854373 /nfs/dbraw/zinc/85/43/73/1015854373.db2.gz KJENNLALFDXCKI-OAGGEKHMSA-N 1 3 317.437 -0.065 20 0 DBADHO CN1CCN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)C[C@H]1Cc1ccccc1 ZINC001552292512 1015854375 /nfs/dbraw/zinc/85/43/75/1015854375.db2.gz KJENNLALFDXCKI-OAGGEKHMSA-N 1 3 317.437 -0.065 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001400676183 994292485 /nfs/dbraw/zinc/29/24/85/994292485.db2.gz VMJAIVHGDBGGKD-OLZOCXBDSA-N 1 3 306.414 -0.092 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2cncn2C)CC[N@@H+]1C ZINC001401495955 994593840 /nfs/dbraw/zinc/59/38/40/994593840.db2.gz CKHPNAZRQQDFKY-SOUVJXGZSA-N 1 3 323.441 -0.283 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2cncn2C)CC[N@H+]1C ZINC001401495955 994593851 /nfs/dbraw/zinc/59/38/51/994593851.db2.gz CKHPNAZRQQDFKY-SOUVJXGZSA-N 1 3 323.441 -0.283 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385847071 994654624 /nfs/dbraw/zinc/65/46/24/994654624.db2.gz DSLUKGRPWONLIS-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385847071 994654633 /nfs/dbraw/zinc/65/46/33/994654633.db2.gz DSLUKGRPWONLIS-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001401575404 994672092 /nfs/dbraw/zinc/67/20/92/994672092.db2.gz USZQOGHCMLWETQ-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001401575408 994672997 /nfs/dbraw/zinc/67/29/97/994672997.db2.gz USZQOGHCMLWETQ-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CCN1CC[C@H]([NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C)C1=O ZINC001401592703 994687500 /nfs/dbraw/zinc/68/75/00/994687500.db2.gz YKIWVXQIDWZRHJ-OLZOCXBDSA-N 1 3 314.430 -0.986 20 0 DBADHO CN1CCN(C(=O)c2ccc3c(c2)CNCCO3)[C@H](C[NH3+])C1 ZINC001553357643 1015885256 /nfs/dbraw/zinc/88/52/56/1015885256.db2.gz FSTSFNQWYWWIQY-CQSZACIVSA-N 1 3 304.394 -0.117 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001401682150 994755412 /nfs/dbraw/zinc/75/54/12/994755412.db2.gz WBFDBASNVXZQJK-GARJFASQSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCC(=O)NC(N)=O)CC[N@H+]1C ZINC001401682150 994755421 /nfs/dbraw/zinc/75/54/21/994755421.db2.gz WBFDBASNVXZQJK-GARJFASQSA-N 1 3 313.402 -0.994 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001401721389 994781379 /nfs/dbraw/zinc/78/13/79/994781379.db2.gz GZGDLYKUGFWACZ-WDEREUQCSA-N 1 3 315.418 -0.735 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)N1CC[NH2+]CCC12CCOCC2 ZINC001553440420 1015893396 /nfs/dbraw/zinc/89/33/96/1015893396.db2.gz OGKALHUDICTFJD-ZDUSSCGKSA-N 1 3 312.414 -0.471 20 0 DBADHO COC[C@H](O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001402005498 994881974 /nfs/dbraw/zinc/88/19/74/994881974.db2.gz WLEHDUBDRPTDDF-ZBFHGGJFSA-N 1 3 322.409 -0.116 20 0 DBADHO COC[C@H](O)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001402005498 994881977 /nfs/dbraw/zinc/88/19/77/994881977.db2.gz WLEHDUBDRPTDDF-ZBFHGGJFSA-N 1 3 322.409 -0.116 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001386524928 994949809 /nfs/dbraw/zinc/94/98/09/994949809.db2.gz IEBHRUSKDUJFDF-NYTXWWLZSA-N 1 3 322.453 -0.147 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001386524928 994949825 /nfs/dbraw/zinc/94/98/25/994949825.db2.gz IEBHRUSKDUJFDF-NYTXWWLZSA-N 1 3 322.453 -0.147 20 0 DBADHO CC[C@H](C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O)N(C)C ZINC001402466531 995155351 /nfs/dbraw/zinc/15/53/51/995155351.db2.gz CXHFCBFSVLLVBG-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(N)=O ZINC001402471230 995155437 /nfs/dbraw/zinc/15/54/37/995155437.db2.gz BSMYQAYNEIBXAA-AVGNSLFASA-N 1 3 314.430 -0.999 20 0 DBADHO C[C@H](NCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(N)=O ZINC001402471230 995155443 /nfs/dbraw/zinc/15/54/43/995155443.db2.gz BSMYQAYNEIBXAA-AVGNSLFASA-N 1 3 314.430 -0.999 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCc2n[nH]c(C)n2)C1 ZINC001402588628 995199356 /nfs/dbraw/zinc/19/93/56/995199356.db2.gz FALIUVMSDCJOKN-ZDUSSCGKSA-N 1 3 324.429 -0.228 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCc2n[nH]c(C)n2)C1 ZINC001402588628 995199361 /nfs/dbraw/zinc/19/93/61/995199361.db2.gz FALIUVMSDCJOKN-ZDUSSCGKSA-N 1 3 324.429 -0.228 20 0 DBADHO C[C@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)N(C)C ZINC001402589792 995202574 /nfs/dbraw/zinc/20/25/74/995202574.db2.gz CLEWACHYYMEVOQ-STQMWFEESA-N 1 3 314.430 -0.768 20 0 DBADHO CCN(C)C(=O)CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001402600427 995207922 /nfs/dbraw/zinc/20/79/22/995207922.db2.gz KUSWTVVZAZUWOC-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001402604225 995210170 /nfs/dbraw/zinc/21/01/70/995210170.db2.gz UMPFXKFNGDSKOP-QWHCGFSZSA-N 1 3 312.414 -0.839 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H](CNCC(N)=O)C1 ZINC001402604225 995210174 /nfs/dbraw/zinc/21/01/74/995210174.db2.gz UMPFXKFNGDSKOP-QWHCGFSZSA-N 1 3 312.414 -0.839 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001402604633 995210363 /nfs/dbraw/zinc/21/03/63/995210363.db2.gz WLTFQDJEOLTWOJ-TXEJJXNPSA-N 1 3 317.455 -0.248 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001402643391 995230868 /nfs/dbraw/zinc/23/08/68/995230868.db2.gz NOILVNNZHPGNQM-TXEJJXNPSA-N 1 3 305.444 -0.392 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001402680310 995244319 /nfs/dbraw/zinc/24/43/19/995244319.db2.gz HLAAPJAHZMDDDH-LBPRGKRZSA-N 1 3 307.398 -0.084 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCC2)C1 ZINC001402779816 995280817 /nfs/dbraw/zinc/28/08/17/995280817.db2.gz GYQJVDADURZHRJ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](NCC(=O)N2CCC2)C1 ZINC001402779816 995280826 /nfs/dbraw/zinc/28/08/26/995280826.db2.gz GYQJVDADURZHRJ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001402822825 995298559 /nfs/dbraw/zinc/29/85/59/995298559.db2.gz HBXFOTYCWKWJMQ-BJJPWKGXSA-N 1 3 308.426 -0.348 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001402822825 995298566 /nfs/dbraw/zinc/29/85/66/995298566.db2.gz HBXFOTYCWKWJMQ-BJJPWKGXSA-N 1 3 308.426 -0.348 20 0 DBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001402858954 995311222 /nfs/dbraw/zinc/31/12/22/995311222.db2.gz ABZDROXWCSZWSY-CQSZACIVSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001402858954 995311226 /nfs/dbraw/zinc/31/12/26/995311226.db2.gz ABZDROXWCSZWSY-CQSZACIVSA-N 1 3 313.442 -0.204 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CN(C)C(C)C ZINC001403035105 995382918 /nfs/dbraw/zinc/38/29/18/995382918.db2.gz KIBIIILTIBOEJT-MNOVXSKESA-N 1 3 315.418 -0.735 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CN(C)C(C)C ZINC001403035111 995383120 /nfs/dbraw/zinc/38/31/20/995383120.db2.gz KIBIIILTIBOEJT-WDEREUQCSA-N 1 3 315.418 -0.735 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001403139109 995422177 /nfs/dbraw/zinc/42/21/77/995422177.db2.gz NOCKJDJAFLPXAO-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)CC1CC1 ZINC001403139109 995422181 /nfs/dbraw/zinc/42/21/81/995422181.db2.gz NOCKJDJAFLPXAO-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](O)CN1CC([C@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001403328401 995486770 /nfs/dbraw/zinc/48/67/70/995486770.db2.gz OWHWFPQQBGAYRK-STQMWFEESA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001403419468 995517537 /nfs/dbraw/zinc/51/75/37/995517537.db2.gz OQCXIZVJEQTIJB-ZQDZILKHSA-N 1 3 313.442 -0.372 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CN(C)C(C)C)[C@@H]2C1 ZINC001403419468 995517545 /nfs/dbraw/zinc/51/75/45/995517545.db2.gz OQCXIZVJEQTIJB-ZQDZILKHSA-N 1 3 313.442 -0.372 20 0 DBADHO CCNC(=O)CN[C@H](C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001403432916 995522423 /nfs/dbraw/zinc/52/24/23/995522423.db2.gz UEDNGCFHTVXCJS-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001403437841 995524464 /nfs/dbraw/zinc/52/44/64/995524464.db2.gz HVPXFERRDUOUJV-XJFOESAGSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001403620717 995601879 /nfs/dbraw/zinc/60/18/79/995601879.db2.gz IBPKVSWRILCCQA-MNOVXSKESA-N 1 3 315.418 -0.654 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1 ZINC001403755848 995692600 /nfs/dbraw/zinc/69/26/00/995692600.db2.gz OROOQRIEHFYMNR-AWEZNQCLSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001403775878 995698837 /nfs/dbraw/zinc/69/88/37/995698837.db2.gz UJMHIDKOQQSJHW-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C[C@@H](O)C[NH2+]Cc1ccnn1C)C(=O)CN(C)C1CCC1 ZINC001403857879 995736796 /nfs/dbraw/zinc/73/67/96/995736796.db2.gz YKTGZQPXXDNFIU-HNNXBMFYSA-N 1 3 323.441 -0.187 20 0 DBADHO CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001388719293 995740363 /nfs/dbraw/zinc/74/03/63/995740363.db2.gz CIGNHRHWVLKQSL-JHJVBQTASA-N 1 3 319.471 -0.144 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)C1(C[NH+](C)C)CC1 ZINC001403865630 995742693 /nfs/dbraw/zinc/74/26/93/995742693.db2.gz FYQHDMWCPXJSDI-AWEZNQCLSA-N 1 3 323.441 -0.329 20 0 DBADHO CCCN(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001403878887 995750894 /nfs/dbraw/zinc/75/08/94/995750894.db2.gz WEOSEJNINKLYTL-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001388796196 995761871 /nfs/dbraw/zinc/76/18/71/995761871.db2.gz NBUZWYJBVQIDKQ-IPYPFGDCSA-N 1 3 322.409 -0.260 20 0 DBADHO COC[C@@H](O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]2C1 ZINC001388796196 995761874 /nfs/dbraw/zinc/76/18/74/995761874.db2.gz NBUZWYJBVQIDKQ-IPYPFGDCSA-N 1 3 322.409 -0.260 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001404334092 995858072 /nfs/dbraw/zinc/85/80/72/995858072.db2.gz XXRHUJFKJSBPIZ-CHWSQXEVSA-N 1 3 316.421 -0.007 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001389452477 995992866 /nfs/dbraw/zinc/99/28/66/995992866.db2.gz FDDRWTIVTHJVHY-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](NCC(=O)N3CCC3)C2)CC1 ZINC001389800307 996105179 /nfs/dbraw/zinc/10/51/79/996105179.db2.gz VOFCJWFWWZUZTH-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO C[NH+](C)CC1(C(=O)NCC2CN(C(=O)CN3CCCC3)C2)CC1 ZINC001389920531 996139161 /nfs/dbraw/zinc/13/91/61/996139161.db2.gz UXBRROIMGDUYJW-UHFFFAOYSA-N 1 3 322.453 -0.001 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)CC1 ZINC001389992932 996158652 /nfs/dbraw/zinc/15/86/52/996158652.db2.gz PUMJGFXTOXEQOK-TXEJJXNPSA-N 1 3 317.455 -0.390 20 0 DBADHO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)N[C@H](C)C(N)=O ZINC001390490343 996277718 /nfs/dbraw/zinc/27/77/18/996277718.db2.gz CSEAMBSGUSQARM-GHMZBOCLSA-N 1 3 310.402 -0.974 20 0 DBADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001390756244 996360120 /nfs/dbraw/zinc/36/01/20/996360120.db2.gz JMVUCXFYLKYQJB-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@@H](O)CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001390756244 996360125 /nfs/dbraw/zinc/36/01/25/996360125.db2.gz JMVUCXFYLKYQJB-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C2CC[NH+](C)CC2)C1=O ZINC001493682239 1016038743 /nfs/dbraw/zinc/03/87/43/1016038743.db2.gz VFCPQIFXCRRSBX-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001391502761 996558750 /nfs/dbraw/zinc/55/87/50/996558750.db2.gz VHJPFAJODMOQLQ-HNNXBMFYSA-N 1 3 313.442 -0.226 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001391562437 996576259 /nfs/dbraw/zinc/57/62/59/996576259.db2.gz VMJAIVHGDBGGKD-QWHCGFSZSA-N 1 3 306.414 -0.092 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001493806476 1016067797 /nfs/dbraw/zinc/06/77/97/1016067797.db2.gz JLCBCLNFHRNZJO-QWHCGFSZSA-N 1 3 324.425 -0.286 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001392376874 996847269 /nfs/dbraw/zinc/84/72/69/996847269.db2.gz PTGAQLZPRQAFMR-LSDHHAIUSA-N 1 3 321.425 -0.671 20 0 DBADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCOC1)N1CCCC1 ZINC001392388941 996862973 /nfs/dbraw/zinc/86/29/73/996862973.db2.gz HRJJSZZHZBNTSR-KBPBESRZSA-N 1 3 313.442 -0.036 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001392459098 996941644 /nfs/dbraw/zinc/94/16/44/996941644.db2.gz ZIWNMEDUYSNYOR-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001392559918 997029641 /nfs/dbraw/zinc/02/96/41/997029641.db2.gz CKJRKFHRRLNCDU-JSGCOSHPSA-N 1 3 308.426 -0.345 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001392611303 997080440 /nfs/dbraw/zinc/08/04/40/997080440.db2.gz YNHIWWNBIYTZEY-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO CN(CC(=O)N[C@@H](C[NH2+][C@@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001392777510 997199411 /nfs/dbraw/zinc/19/94/11/997199411.db2.gz VCSMAKVCKLFMTO-KGLIPLIRSA-N 1 3 308.426 -0.156 20 0 DBADHO CN(C)C(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001392796678 997216836 /nfs/dbraw/zinc/21/68/36/997216836.db2.gz FBGLYCPFZMANGH-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001392796678 997216848 /nfs/dbraw/zinc/21/68/48/997216848.db2.gz FBGLYCPFZMANGH-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C2CC2)C1 ZINC001392796603 997218406 /nfs/dbraw/zinc/21/84/06/997218406.db2.gz XOKBRFFOMMZHLR-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CN1CCC[C@@H](NC2(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1=O ZINC001392949178 997340646 /nfs/dbraw/zinc/34/06/46/997340646.db2.gz MRMHIZRFJASYIJ-CYBMUJFWSA-N 1 3 320.437 -0.059 20 0 DBADHO C[C@@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001393275855 997527224 /nfs/dbraw/zinc/52/72/24/997527224.db2.gz LMZCISMBUANDIV-CZUORRHYSA-N 1 3 315.458 -0.102 20 0 DBADHO C[C@@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001393275855 997527234 /nfs/dbraw/zinc/52/72/34/997527234.db2.gz LMZCISMBUANDIV-CZUORRHYSA-N 1 3 315.458 -0.102 20 0 DBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)N(C)C ZINC001393398992 997634917 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ZINC001410579634 1000814448 /nfs/dbraw/zinc/81/44/48/1000814448.db2.gz ITBADYXJENXBSM-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cccnc2)CC[N@@H+]1C ZINC001422312672 1000819722 /nfs/dbraw/zinc/81/97/22/1000819722.db2.gz KUULGEXCUAEFQT-VHDGCEQUSA-N 1 3 306.410 -0.012 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2cccnc2)CC[N@H+]1C ZINC001422312672 1000819724 /nfs/dbraw/zinc/81/97/24/1000819724.db2.gz KUULGEXCUAEFQT-VHDGCEQUSA-N 1 3 306.410 -0.012 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410623153 1000833677 /nfs/dbraw/zinc/83/36/77/1000833677.db2.gz XDXRFSYXRAWYET-OLZOCXBDSA-N 1 3 319.409 -0.071 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410623153 1000833680 /nfs/dbraw/zinc/83/36/80/1000833680.db2.gz XDXRFSYXRAWYET-OLZOCXBDSA-N 1 3 319.409 -0.071 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CCc2ccnn2C)CCC1 ZINC001410647636 1000842862 /nfs/dbraw/zinc/84/28/62/1000842862.db2.gz DXUMMCPZKNDRJN-CYBMUJFWSA-N 1 3 323.441 -0.486 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2ccnn2C)C1 ZINC001422361672 1000843876 /nfs/dbraw/zinc/84/38/76/1000843876.db2.gz OTJAKRYBGZGVRT-GXTWGEPZSA-N 1 3 309.414 -0.671 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccnn2C)C1 ZINC001422361682 1000844111 /nfs/dbraw/zinc/84/41/11/1000844111.db2.gz OTJAKRYBGZGVRT-OCCSQVGLSA-N 1 3 309.414 -0.671 20 0 DBADHO CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001422402732 1000861396 /nfs/dbraw/zinc/86/13/96/1000861396.db2.gz KIDGWVIQXDQUAM-CHWSQXEVSA-N 1 3 324.429 -0.875 20 0 DBADHO CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001422402732 1000861398 /nfs/dbraw/zinc/86/13/98/1000861398.db2.gz KIDGWVIQXDQUAM-CHWSQXEVSA-N 1 3 324.429 -0.875 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001422402496 1000861742 /nfs/dbraw/zinc/86/17/42/1000861742.db2.gz RDXXKILIZUZRCU-NWDGAFQWSA-N 1 3 310.402 -0.978 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001422402496 1000861746 /nfs/dbraw/zinc/86/17/46/1000861746.db2.gz RDXXKILIZUZRCU-NWDGAFQWSA-N 1 3 310.402 -0.978 20 0 DBADHO Cc1cncc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001422409931 1000865156 /nfs/dbraw/zinc/86/51/56/1000865156.db2.gz YEDOBUDRLUHXLU-GJZGRUSLSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1cncc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001422409931 1000865162 /nfs/dbraw/zinc/86/51/62/1000865162.db2.gz YEDOBUDRLUHXLU-GJZGRUSLSA-N 1 3 306.410 -0.092 20 0 DBADHO C[C@@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc(CN(C)C)c1 ZINC001422411508 1000865380 /nfs/dbraw/zinc/86/53/80/1000865380.db2.gz FVYKKSYOHLRSFR-IUODEOHRSA-N 1 3 309.410 -0.191 20 0 DBADHO C[C@@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001410840009 1000929497 /nfs/dbraw/zinc/92/94/97/1000929497.db2.gz CJPSDUQDLNCTSV-OCCSQVGLSA-N 1 3 320.437 -0.060 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)CC[NH+](C)C ZINC001422699159 1000976899 /nfs/dbraw/zinc/97/68/99/1000976899.db2.gz ZSKOKLFEMIPANH-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001422711224 1000980119 /nfs/dbraw/zinc/98/01/19/1000980119.db2.gz VUZNTZVVJDDJDH-UWVGGRQHSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001422850360 1001032871 /nfs/dbraw/zinc/03/28/71/1001032871.db2.gz GSKFFRUBRJJHKD-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001411173263 1001059107 /nfs/dbraw/zinc/05/91/07/1001059107.db2.gz DITRJJDBYOXOMA-UONOGXRCSA-N 1 3 315.458 -0.007 20 0 DBADHO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001411173263 1001059114 /nfs/dbraw/zinc/05/91/14/1001059114.db2.gz DITRJJDBYOXOMA-UONOGXRCSA-N 1 3 315.458 -0.007 20 0 DBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)C1 ZINC001411177673 1001061028 /nfs/dbraw/zinc/06/10/28/1001061028.db2.gz FJLUKGGVSANHES-CABCVRRESA-N 1 3 315.458 -0.148 20 0 DBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](O)CN(C)CCO)C1 ZINC001411177673 1001061039 /nfs/dbraw/zinc/06/10/39/1001061039.db2.gz FJLUKGGVSANHES-CABCVRRESA-N 1 3 315.458 -0.148 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO ZINC001411191057 1001068789 /nfs/dbraw/zinc/06/87/89/1001068789.db2.gz UBRLGFDQMPAPQG-LSDHHAIUSA-N 1 3 315.458 -0.006 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC001411191057 1001068792 /nfs/dbraw/zinc/06/87/92/1001068792.db2.gz UBRLGFDQMPAPQG-LSDHHAIUSA-N 1 3 315.458 -0.006 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@H](CNCC(=O)N1CCC1)C1CC1 ZINC001423008041 1001085115 /nfs/dbraw/zinc/08/51/15/1001085115.db2.gz MRJVFLUNHFWDCM-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC001423461081 1001319228 /nfs/dbraw/zinc/31/92/28/1001319228.db2.gz AOBOTMPHUOYBLA-OAHLLOKOSA-N 1 3 323.441 -0.329 20 0 DBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1)N(C)C ZINC001424523820 1001655462 /nfs/dbraw/zinc/65/54/62/1001655462.db2.gz RMDVNHAIDIQMGF-VXGBXAGGSA-N 1 3 314.430 -0.857 20 0 DBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]C[C@@H](C)O)CC1 ZINC001424544799 1001658500 /nfs/dbraw/zinc/65/85/00/1001658500.db2.gz ABXJRGKSXUOZTN-CYBMUJFWSA-N 1 3 301.431 -0.348 20 0 DBADHO CN(CC(=O)N(CCO)C1CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001413197299 1001714226 /nfs/dbraw/zinc/71/42/26/1001714226.db2.gz VZYCSYVQZTZFLC-HUUCEWRRSA-N 1 3 313.442 -0.253 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001424661580 1001717237 /nfs/dbraw/zinc/71/72/37/1001717237.db2.gz VWVQEPMSCGLWDP-UONOGXRCSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001424661580 1001717261 /nfs/dbraw/zinc/71/72/61/1001717261.db2.gz VWVQEPMSCGLWDP-UONOGXRCSA-N 1 3 313.442 -0.348 20 0 DBADHO NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001424677161 1001725371 /nfs/dbraw/zinc/72/53/71/1001725371.db2.gz NTWHCXDCBKGINQ-UONOGXRCSA-N 1 3 308.426 -0.216 20 0 DBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001424793937 1001801157 /nfs/dbraw/zinc/80/11/57/1001801157.db2.gz JJNQSCYUJZBNOZ-ZJUUUORDSA-N 1 3 313.402 -0.852 20 0 DBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCC1 ZINC001495096018 1016548066 /nfs/dbraw/zinc/54/80/66/1016548066.db2.gz ZZLYWSHWCCUAIQ-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)NCC(N)=O)C1 ZINC001425365732 1002019150 /nfs/dbraw/zinc/01/91/50/1002019150.db2.gz SEKVGJGFSKYPRY-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)NCC(N)=O)C1 ZINC001425365732 1002019164 /nfs/dbraw/zinc/01/91/64/1002019164.db2.gz SEKVGJGFSKYPRY-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001425502520 1002138386 /nfs/dbraw/zinc/13/83/86/1002138386.db2.gz ZHTDZOOAXQPDPQ-HUUCEWRRSA-N 1 3 322.453 -0.099 20 0 DBADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@@]23CCN(C2)CCC3)CC1=O ZINC001434312177 1002371250 /nfs/dbraw/zinc/37/12/50/1002371250.db2.gz ZIQJDPXYWSNIBC-CJNGLKHVSA-N 1 3 308.426 -0.249 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001414546970 1002425952 /nfs/dbraw/zinc/42/59/52/1002425952.db2.gz LGOHTLAGQXDBPU-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001414546970 1002425960 /nfs/dbraw/zinc/42/59/60/1002425960.db2.gz LGOHTLAGQXDBPU-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC001434422922 1002464529 /nfs/dbraw/zinc/46/45/29/1002464529.db2.gz PGEORAAHFFISTQ-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC001434422922 1002464540 /nfs/dbraw/zinc/46/45/40/1002464540.db2.gz PGEORAAHFFISTQ-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO Nc1nc(N)nc(N2CCC(O)(C[NH+]3CCCCC3)CC2)n1 ZINC001434451235 1002476543 /nfs/dbraw/zinc/47/65/43/1002476543.db2.gz XXTRQZFULKFDGE-UHFFFAOYSA-N 1 3 307.402 -0.147 20 0 DBADHO CC[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001426006127 1002613745 /nfs/dbraw/zinc/61/37/45/1002613745.db2.gz NYVGRDOMMSYEAX-NWDGAFQWSA-N 1 3 314.430 -0.857 20 0 DBADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1ccnn1C)N(C)C ZINC001426009777 1002615401 /nfs/dbraw/zinc/61/54/01/1002615401.db2.gz BUUIZLHBLCMAHI-UONOGXRCSA-N 1 3 311.430 -0.331 20 0 DBADHO CN(C[C@H](O)CNCC(N)=O)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001426032442 1002632520 /nfs/dbraw/zinc/63/25/20/1002632520.db2.gz JUALIGJTPAWQOL-CQSZACIVSA-N 1 3 322.409 -0.744 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001426039288 1002636488 /nfs/dbraw/zinc/63/64/88/1002636488.db2.gz ODUVWPOQKIDUDW-LSDHHAIUSA-N 1 3 321.425 -0.354 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CN(C)C(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001426039288 1002636499 /nfs/dbraw/zinc/63/64/99/1002636499.db2.gz ODUVWPOQKIDUDW-LSDHHAIUSA-N 1 3 321.425 -0.354 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001426237246 1002729574 /nfs/dbraw/zinc/72/95/74/1002729574.db2.gz FHMWCXSOOPUWMV-UHFFFAOYSA-N 1 3 317.455 -0.294 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436953614 1002831351 /nfs/dbraw/zinc/83/13/51/1002831351.db2.gz JTHJBMVPKPZLDS-YVECIDJPSA-N 1 3 314.405 -0.208 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001436957732 1002832633 /nfs/dbraw/zinc/83/26/33/1002832633.db2.gz WXAWQMWZYATWDS-FRRDWIJNSA-N 1 3 316.421 -0.009 20 0 DBADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@H](O)Cn1cccn1 ZINC001437541394 1003059606 /nfs/dbraw/zinc/05/96/06/1003059606.db2.gz LRYXKEFIJVETBI-AWEZNQCLSA-N 1 3 321.425 -0.612 20 0 DBADHO CN(CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001416012830 1003092368 /nfs/dbraw/zinc/09/23/68/1003092368.db2.gz UJOSHBYMFDLFRI-LBPRGKRZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001416012830 1003092375 /nfs/dbraw/zinc/09/23/75/1003092375.db2.gz UJOSHBYMFDLFRI-LBPRGKRZSA-N 1 3 308.426 -0.251 20 0 DBADHO CC[C@@H](C(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001416039999 1003118950 /nfs/dbraw/zinc/11/89/50/1003118950.db2.gz QJUQSMMMXFHRTK-ZDUSSCGKSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)[C@H]1CCNC1=O ZINC001437989226 1003314809 /nfs/dbraw/zinc/31/48/09/1003314809.db2.gz HRLYPUWRIKJIRE-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)N(C)C(=O)CCC[NH+](C)C ZINC001438676956 1003588926 /nfs/dbraw/zinc/58/89/26/1003588926.db2.gz UZWLJXRIMQQEOD-GHMZBOCLSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@@H](CNCC(=O)NC1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001438706224 1003605689 /nfs/dbraw/zinc/60/56/89/1003605689.db2.gz AMLADHLBKLHRDR-LBPRGKRZSA-N 1 3 308.426 -0.203 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001416924761 1003691993 /nfs/dbraw/zinc/69/19/93/1003691993.db2.gz FCZRJHRLROJHCS-JQWIXIFHSA-N 1 3 307.398 -0.167 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001416924761 1003692001 /nfs/dbraw/zinc/69/20/01/1003692001.db2.gz FCZRJHRLROJHCS-JQWIXIFHSA-N 1 3 307.398 -0.167 20 0 DBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cncn1C)C1CCC1 ZINC001439003205 1003826988 /nfs/dbraw/zinc/82/69/88/1003826988.db2.gz LSVJXVTYADFEFX-AWEZNQCLSA-N 1 3 309.414 -0.529 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@H](O)CNCc2cccnc2)CC1 ZINC001439015447 1003833173 /nfs/dbraw/zinc/83/31/73/1003833173.db2.gz OUUCJFGZTLHEAG-CQSZACIVSA-N 1 3 306.410 -0.010 20 0 DBADHO CC(C)c1nc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001439048399 1003852811 /nfs/dbraw/zinc/85/28/11/1003852811.db2.gz UDHXHDPPWGCVEB-RYUDHWBXSA-N 1 3 324.429 -0.554 20 0 DBADHO CC(C)c1nc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001439048399 1003852813 /nfs/dbraw/zinc/85/28/13/1003852813.db2.gz UDHXHDPPWGCVEB-RYUDHWBXSA-N 1 3 324.429 -0.554 20 0 DBADHO CC(C)c1nc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001439048396 1003853120 /nfs/dbraw/zinc/85/31/20/1003853120.db2.gz UDHXHDPPWGCVEB-NEPJUHHUSA-N 1 3 324.429 -0.554 20 0 DBADHO CC(C)c1nc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001439048396 1003853123 /nfs/dbraw/zinc/85/31/23/1003853123.db2.gz UDHXHDPPWGCVEB-NEPJUHHUSA-N 1 3 324.429 -0.554 20 0 DBADHO CNC(=O)CNC[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001439473751 1004008772 /nfs/dbraw/zinc/00/87/72/1004008772.db2.gz RJFRYXMDQYWKOS-CYBMUJFWSA-N 1 3 308.426 -0.155 20 0 DBADHO CC(C)NC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001439488920 1004018062 /nfs/dbraw/zinc/01/80/62/1004018062.db2.gz AIGGIJUSDNJCCE-ZIAGYGMSSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439488920 1004018072 /nfs/dbraw/zinc/01/80/72/1004018072.db2.gz AIGGIJUSDNJCCE-ZIAGYGMSSA-N 1 3 310.442 -0.053 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001417786995 1004037589 /nfs/dbraw/zinc/03/75/89/1004037589.db2.gz PINVVQMAYAOTKS-MGPQQGTHSA-N 1 3 313.442 -0.038 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001440021829 1004197877 /nfs/dbraw/zinc/19/78/77/1004197877.db2.gz VVJRJBVSXIQQAT-GOEBONIOSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001440021829 1004197885 /nfs/dbraw/zinc/19/78/85/1004197885.db2.gz VVJRJBVSXIQQAT-GOEBONIOSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001440021831 1004199519 /nfs/dbraw/zinc/19/95/19/1004199519.db2.gz VVJRJBVSXIQQAT-HOCLYGCPSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001440021831 1004199528 /nfs/dbraw/zinc/19/95/28/1004199528.db2.gz VVJRJBVSXIQQAT-HOCLYGCPSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001418103969 1004210735 /nfs/dbraw/zinc/21/07/35/1004210735.db2.gz MUVBHLAHHUZSHY-MMWGEVLESA-N 1 3 313.402 -0.853 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001418108377 1004214246 /nfs/dbraw/zinc/21/42/46/1004214246.db2.gz IAQNBNHGSGPHJM-BETUJISGSA-N 1 3 311.430 -0.410 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001418136439 1004228569 /nfs/dbraw/zinc/22/85/69/1004228569.db2.gz FDQYVAMOMGZTJR-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496207487 1016864911 /nfs/dbraw/zinc/86/49/11/1016864911.db2.gz QCJPMVMTHZLQFK-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CNC(=O)CCC[NH+]1CCCC1)NCC(=O)NC(N)=O ZINC001418312917 1004330621 /nfs/dbraw/zinc/33/06/21/1004330621.db2.gz KFCKQJGPTXZQEO-NSHDSACASA-N 1 3 313.402 -0.848 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001418330762 1004342580 /nfs/dbraw/zinc/34/25/80/1004342580.db2.gz XUMWAKIHCUJWIA-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418343198 1004351012 /nfs/dbraw/zinc/35/10/12/1004351012.db2.gz JPTSSKRHWLDICN-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001418877740 1004693990 /nfs/dbraw/zinc/69/39/90/1004693990.db2.gz FHRQWVIXXRNJFZ-HIFRSBDPSA-N 1 3 322.453 -0.098 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001418942660 1004724641 /nfs/dbraw/zinc/72/46/41/1004724641.db2.gz KTUXWYWWVJBARB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001418942660 1004724645 /nfs/dbraw/zinc/72/46/45/1004724645.db2.gz KTUXWYWWVJBARB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001419240976 1004840330 /nfs/dbraw/zinc/84/03/30/1004840330.db2.gz JLHXRSJXLVNAFG-QWRGUYRKSA-N 1 3 313.402 -0.993 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001419524543 1004892583 /nfs/dbraw/zinc/89/25/83/1004892583.db2.gz CITJEBIKUPUMKE-QWRGUYRKSA-N 1 3 315.418 -0.876 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001419739614 1004960732 /nfs/dbraw/zinc/96/07/32/1004960732.db2.gz LGVISWQPMKRGLM-GARJFASQSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)NCC(=O)NC(N)=O)CC[N@H+]1C ZINC001419739614 1004960740 /nfs/dbraw/zinc/96/07/40/1004960740.db2.gz LGVISWQPMKRGLM-GARJFASQSA-N 1 3 313.402 -0.994 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001420007484 1005049532 /nfs/dbraw/zinc/04/95/32/1005049532.db2.gz OZAHYAQFEGGUBE-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO O=C(C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)N1CCC1 ZINC001420021547 1005051751 /nfs/dbraw/zinc/05/17/51/1005051751.db2.gz VOTWCPDMYFMPPQ-AWEZNQCLSA-N 1 3 308.426 -0.247 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001420142454 1005118167 /nfs/dbraw/zinc/11/81/67/1005118167.db2.gz DWFPKMJCZXKQGB-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CCN(CCN[C@@H](C)C(=O)N(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001420246169 1005171006 /nfs/dbraw/zinc/17/10/06/1005171006.db2.gz ROOYXUHZCWEUQL-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)CN(C)C(C)C ZINC001420252423 1005171961 /nfs/dbraw/zinc/17/19/61/1005171961.db2.gz NMNYGMMOHJMOIK-NSHDSACASA-N 1 3 315.418 -0.652 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(=O)NC ZINC001420358769 1005231544 /nfs/dbraw/zinc/23/15/44/1005231544.db2.gz DRDALAOPKNVVAJ-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(=O)NC ZINC001420358769 1005231545 /nfs/dbraw/zinc/23/15/45/1005231545.db2.gz DRDALAOPKNVVAJ-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(CCCO)C2)CC[N@@H+]1C ZINC001440175001 1005984365 /nfs/dbraw/zinc/98/43/65/1005984365.db2.gz NVGBAKGWEQHUEX-FMKPAKJESA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@@]2(CO)CCCN(CCCO)C2)CC[N@H+]1C ZINC001440175001 1005984381 /nfs/dbraw/zinc/98/43/81/1005984381.db2.gz NVGBAKGWEQHUEX-FMKPAKJESA-N 1 3 313.442 -0.348 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001440552910 1006191808 /nfs/dbraw/zinc/19/18/08/1006191808.db2.gz ZJLZYLGNSOHFMA-HIFRSBDPSA-N 1 3 319.421 -0.398 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@](CO)([NH2+]C[C@@H](C)O)C1 ZINC001440557202 1006198248 /nfs/dbraw/zinc/19/82/48/1006198248.db2.gz QXXMNPIEIYHKLK-HIFRSBDPSA-N 1 3 301.431 -0.348 20 0 DBADHO C[NH+](C)CCC(=O)N1CCN(C2CN(C[C@@H]3CCOC3)C2)CC1 ZINC001440626531 1006236125 /nfs/dbraw/zinc/23/61/25/1006236125.db2.gz OBSCFJANFMPOMO-HNNXBMFYSA-N 1 3 324.469 -0.197 20 0 DBADHO COC[C@@H](C)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001440695885 1006268223 /nfs/dbraw/zinc/26/82/23/1006268223.db2.gz GBDITYFOTBACES-CYBMUJFWSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001429497386 1006445138 /nfs/dbraw/zinc/44/51/38/1006445138.db2.gz ZYGRVGCPRRKKHQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@H]2CCCN2C)C1 ZINC001429497386 1006445144 /nfs/dbraw/zinc/44/51/44/1006445144.db2.gz ZYGRVGCPRRKKHQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441256987 1006542155 /nfs/dbraw/zinc/54/21/55/1006542155.db2.gz NEHFSERLGWHNGF-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441256987 1006542173 /nfs/dbraw/zinc/54/21/73/1006542173.db2.gz NEHFSERLGWHNGF-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)NCC(N)=O)C1 ZINC001441327502 1006589004 /nfs/dbraw/zinc/58/90/04/1006589004.db2.gz HCGTZAZHYRHHQW-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@H](C)NCC(N)=O)C1 ZINC001441327502 1006589027 /nfs/dbraw/zinc/58/90/27/1006589027.db2.gz HCGTZAZHYRHHQW-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001441362326 1006608124 /nfs/dbraw/zinc/60/81/24/1006608124.db2.gz BBLSYORRFRUFBA-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001441488211 1006682125 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/nfs/dbraw/zinc/61/12/62/1012611262.db2.gz MEPUNIHLBQPFSR-MELADBBJSA-N 1 3 310.442 -0.147 20 0 DBADHO Cn1cncc1CNCCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001484498320 1012742664 /nfs/dbraw/zinc/74/26/64/1012742664.db2.gz IEUXNEUUCMKLIF-UHFFFAOYSA-N 1 3 321.425 -0.574 20 0 DBADHO CC(C)N(C)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001484663050 1012814076 /nfs/dbraw/zinc/81/40/76/1012814076.db2.gz FUSWEPGTMFZFRV-UHFFFAOYSA-N 1 3 313.402 -0.850 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001484687724 1012829397 /nfs/dbraw/zinc/82/93/97/1012829397.db2.gz NGSBTQNODBVZPH-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CO[C@H](C)C[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001484959900 1012910884 /nfs/dbraw/zinc/91/08/84/1012910884.db2.gz OHGPGWCMWATKTB-GFCCVEGCSA-N 1 3 310.398 -0.070 20 0 DBADHO C[C@H](O)C[NH+]1CCC(CO)(NC(=O)CN(C)C2CCC2)CC1 ZINC001485019094 1012949539 /nfs/dbraw/zinc/94/95/39/1012949539.db2.gz DLOYHLVGTRCQRT-ZDUSSCGKSA-N 1 3 313.442 -0.205 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001485023234 1012956711 /nfs/dbraw/zinc/95/67/11/1012956711.db2.gz VWQHOQZAXRIKQO-ZDUSSCGKSA-N 1 3 313.442 -0.348 20 0 DBADHO O=C(NC[C@@H](O)CNCc1cccnc1)[C@@H]1C[NH+]2CCC1CC2 ZINC001496981228 1017164040 /nfs/dbraw/zinc/16/40/40/1017164040.db2.gz IIMQRCMICUUEBX-JKSUJKDBSA-N 1 3 318.421 -0.010 20 0 DBADHO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1 ZINC001496995521 1017177648 /nfs/dbraw/zinc/17/76/48/1017177648.db2.gz JUNHXRTVHYBZQE-OAHLLOKOSA-N 1 3 323.441 -0.220 20 0 DBADHO C[C@@H]([NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001496995893 1017179570 /nfs/dbraw/zinc/17/95/70/1017179570.db2.gz MEXGFWZMNKCUMC-NEPJUHHUSA-N 1 3 314.430 -0.986 20 0 DBADHO CCNC(=O)CNC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497031463 1017210239 /nfs/dbraw/zinc/21/02/39/1017210239.db2.gz AMOLJBMCYHJMJH-LBPRGKRZSA-N 1 3 314.430 -0.936 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001497048101 1017224907 /nfs/dbraw/zinc/22/49/07/1017224907.db2.gz PTZQWRQXJONMIN-HNNXBMFYSA-N 1 3 321.425 -0.306 20 0 DBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)[C@@H]1CCCN1C ZINC001497362441 1017352878 /nfs/dbraw/zinc/35/28/78/1017352878.db2.gz QWOXROZJLPEKAA-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001497383138 1017361227 /nfs/dbraw/zinc/36/12/27/1017361227.db2.gz GGHGYVNCRDADOB-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495754 1017398659 /nfs/dbraw/zinc/39/86/59/1017398659.db2.gz MROHBJUGKWPREX-VXGBXAGGSA-N 1 3 310.398 -0.819 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497495754 1017398669 /nfs/dbraw/zinc/39/86/69/1017398669.db2.gz MROHBJUGKWPREX-VXGBXAGGSA-N 1 3 310.398 -0.819 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCN1CCNC1=O ZINC001497548883 1017418036 /nfs/dbraw/zinc/41/80/36/1017418036.db2.gz KYAJGSYCPWLZDZ-XQJDBVBESA-N 1 3 309.414 -0.632 20 0 DBADHO C[C@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)C1(N(C)C)CCC1 ZINC001497827535 1017514879 /nfs/dbraw/zinc/51/48/79/1017514879.db2.gz LNLJHPKDVLBUJM-GFCCVEGCSA-N 1 3 319.471 0.000 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001497899442 1017541776 /nfs/dbraw/zinc/54/17/76/1017541776.db2.gz KMCLSKLBCPHRFK-LLVKDONJSA-N 1 3 305.444 -0.533 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001498106572 1017623287 /nfs/dbraw/zinc/62/32/87/1017623287.db2.gz ONKTUXNKQBSOGN-GARJFASQSA-N 1 3 315.418 -0.750 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001498327390 1017738387 /nfs/dbraw/zinc/73/83/87/1017738387.db2.gz LGZQNGLPFNXATJ-UHFFFAOYSA-N 1 3 319.409 -0.071 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(NCC(N)=O)CCOCC2)C1 ZINC001500594235 1018356876 /nfs/dbraw/zinc/35/68/76/1018356876.db2.gz IEWYJGDEVICXDZ-LBPRGKRZSA-N 1 3 312.414 -0.932 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(NCC(N)=O)CCOCC2)C1 ZINC001500594235 1018356884 /nfs/dbraw/zinc/35/68/84/1018356884.db2.gz IEWYJGDEVICXDZ-LBPRGKRZSA-N 1 3 312.414 -0.932 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001500756684 1018444856 /nfs/dbraw/zinc/44/48/56/1018444856.db2.gz HYOUCSITXASDHQ-XJKSGUPXSA-N 1 3 322.409 -0.150 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001500756684 1018444861 /nfs/dbraw/zinc/44/48/61/1018444861.db2.gz HYOUCSITXASDHQ-XJKSGUPXSA-N 1 3 322.409 -0.150 20 0 DBADHO CC[C@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1)C(N)=O ZINC001502074515 1018971408 /nfs/dbraw/zinc/97/14/08/1018971408.db2.gz JARACKHMDFNSSY-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](O)C[NH2+]CC1(NC(=O)CN2CC[C@H](C)C2)CCOCC1 ZINC001502635745 1019124972 /nfs/dbraw/zinc/12/49/72/1019124972.db2.gz XNGRRWMXJBFOEP-KBPBESRZSA-N 1 3 313.442 -0.036 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001505726300 1019479376 /nfs/dbraw/zinc/47/93/76/1019479376.db2.gz IAPLJWVYZXMSQB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001505726300 1019479380 /nfs/dbraw/zinc/47/93/80/1019479380.db2.gz IAPLJWVYZXMSQB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC001576008511 1019788982 /nfs/dbraw/zinc/78/89/82/1019788982.db2.gz PSGGSGFTUNLEGH-MGPQQGTHSA-N 1 3 300.422 -0.066 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC001576572742 1019868871 /nfs/dbraw/zinc/86/88/71/1019868871.db2.gz MMWFIILQVGHJMU-NDBYEHHHSA-N 1 3 309.414 -0.359 20 0 DBADHO C[C@H]1C[C@H](CN2CCN(C(=O)Cn3cnnn3)CC2)CC[NH2+]1 ZINC001576598560 1019872028 /nfs/dbraw/zinc/87/20/28/1019872028.db2.gz OUENEAVKMOEIGX-QWHCGFSZSA-N 1 3 307.402 -0.795 20 0 DBADHO CN1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCc2cn[nH]n2)C1 ZINC001576903689 1019938789 /nfs/dbraw/zinc/93/87/89/1019938789.db2.gz JSLLCRTYNWRLNJ-UBHUBRDASA-N 1 3 306.414 -0.074 20 0 DBADHO C[C@H](NCC(=O)N(C)C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506843146 1019962743 /nfs/dbraw/zinc/96/27/43/1019962743.db2.gz KCBYHDCIBOZNDR-STQMWFEESA-N 1 3 314.430 -0.768 20 0 DBADHO C[C@@H](NCC(=O)N(C)C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506843140 1019964801 /nfs/dbraw/zinc/96/48/01/1019964801.db2.gz KCBYHDCIBOZNDR-CHWSQXEVSA-N 1 3 314.430 -0.768 20 0 DBADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001507124938 1020100481 /nfs/dbraw/zinc/10/04/81/1020100481.db2.gz FXESYAXIVWIXIX-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1)NCC(=O)N1CCC1 ZINC001507124938 1020100489 /nfs/dbraw/zinc/10/04/89/1020100489.db2.gz FXESYAXIVWIXIX-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)N1CCC1 ZINC001507124938 1020100496 /nfs/dbraw/zinc/10/04/96/1020100496.db2.gz FXESYAXIVWIXIX-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001577778143 1020118315 /nfs/dbraw/zinc/11/83/15/1020118315.db2.gz HJFRWLZQIBILCP-GDBMZVCRSA-N 1 3 310.442 -0.634 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)CN2CCC([NH3+])CC2)CC1 ZINC001577775789 1020118771 /nfs/dbraw/zinc/11/87/71/1020118771.db2.gz QGBLWCJZOGJHJF-AWEZNQCLSA-N 1 3 311.474 -0.448 20 0 DBADHO CN(CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCCOC1)C1CCC1 ZINC001507206332 1020183722 /nfs/dbraw/zinc/18/37/22/1020183722.db2.gz BVTVGYHTILZEOG-ZIAGYGMSSA-N 1 3 313.442 -0.036 20 0 DBADHO CN(CCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])CCOCCO ZINC001578473876 1020245389 /nfs/dbraw/zinc/24/53/89/1020245389.db2.gz SRRQFTADOMQJNN-HIFRSBDPSA-N 1 3 301.431 -0.049 20 0 DBADHO CN1CCN(C)CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC001578533719 1020261329 /nfs/dbraw/zinc/26/13/29/1020261329.db2.gz UZRXABBMLWEHNW-OAHLLOKOSA-N 1 3 321.473 -0.118 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)[C@@H]1C ZINC001507296915 1020278497 /nfs/dbraw/zinc/27/84/97/1020278497.db2.gz LKYXREMXVCXSMC-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO COC(=O)[C@@]1(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)CCOC1 ZINC001578780982 1020296378 /nfs/dbraw/zinc/29/63/78/1020296378.db2.gz JPFZUPUBSOLYFL-GDBMZVCRSA-N 1 3 311.426 -0.064 20 0 DBADHO COC(=O)C1CCN(CCCNC(=O)COC2C[NH2+]C2)CC1 ZINC001578789171 1020298160 /nfs/dbraw/zinc/29/81/60/1020298160.db2.gz RKTKLYAUYUFZPG-UHFFFAOYSA-N 1 3 313.398 -0.634 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001507362615 1020298882 /nfs/dbraw/zinc/29/88/82/1020298882.db2.gz HWUGYSHURJFHEV-KWCYVHTRSA-N 1 3 319.409 -0.085 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001507362613 1020300276 /nfs/dbraw/zinc/30/02/76/1020300276.db2.gz HWUGYSHURJFHEV-IACUBPJLSA-N 1 3 319.409 -0.085 20 0 DBADHO COC1(C(=O)N2CC[C@H]3[C@H]2CCCN3CCO)CC[NH2+]CC1 ZINC001578920440 1020328558 /nfs/dbraw/zinc/32/85/58/1020328558.db2.gz KHNUVUMKEANTAJ-UONOGXRCSA-N 1 3 311.426 -0.187 20 0 DBADHO COCC[C@H](N)C[NH2+]CCC(=O)N1CCN(C(C)=O)CC1 ZINC001579004896 1020349852 /nfs/dbraw/zinc/34/98/52/1020349852.db2.gz XXEXRAMLYNVKTD-ZDUSSCGKSA-N 1 3 300.403 -0.979 20 0 DBADHO COCCN(C)CCN1C[C@H](NC(=O)C[NH2+]C2CC2)CC1=O ZINC001579022106 1020352181 /nfs/dbraw/zinc/35/21/81/1020352181.db2.gz RVOFBLFIEADBIW-CYBMUJFWSA-N 1 3 312.414 -0.966 20 0 DBADHO COCC[NH2+]CCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001579047144 1020358829 /nfs/dbraw/zinc/35/88/29/1020358829.db2.gz CHCGKNCGUIGQSP-AWEZNQCLSA-N 1 3 315.462 -0.595 20 0 DBADHO CO[C@@H](C[NH3+])C(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC001579111300 1020374530 /nfs/dbraw/zinc/37/45/30/1020374530.db2.gz ZRDZUYAOCYPGEV-CABCVRRESA-N 1 3 307.394 -0.505 20 0 DBADHO C[S@@](=O)C1(C(=O)N2CC(N[C@@H]3CCOC3)C2)CC[NH2+]CC1 ZINC001579355226 1020430819 /nfs/dbraw/zinc/43/08/19/1020430819.db2.gz QMGQCZAAIIVTTR-WSVYEEACSA-N 1 3 315.439 -0.924 20 0 DBADHO CN(C(=O)CCC[NH+](C)C)C1CC(NCCS(C)(=O)=O)C1 ZINC001508135628 1020531496 /nfs/dbraw/zinc/53/14/96/1020531496.db2.gz SPVFDDNWFKUBGX-UHFFFAOYSA-N 1 3 319.471 -0.048 20 0 DBADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001508137799 1020532396 /nfs/dbraw/zinc/53/23/96/1020532396.db2.gz VLKHXHJRQOMDHK-ILDUYXDCSA-N 1 3 313.402 -0.900 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)CC2(O)C[NH2+]C2)CC1 ZINC001580084842 1020642574 /nfs/dbraw/zinc/64/25/74/1020642574.db2.gz LXYRCQQHNDRFOV-UHFFFAOYSA-N 1 3 324.425 -0.957 20 0 DBADHO O=C(C1=NOC2(C[NH2+]C2)C1)N1CCC(N2CCOCC2)CC1 ZINC001580477972 1020728427 /nfs/dbraw/zinc/72/84/27/1020728427.db2.gz KNJPBUQIKWOMJQ-UHFFFAOYSA-N 1 3 308.382 -0.572 20 0 DBADHO O=C(CC1(O)CC[NH2+]CC1)NC[C@@H]1CCN1C1CCOCC1 ZINC001580500534 1020735752 /nfs/dbraw/zinc/73/57/52/1020735752.db2.gz GVAXGUUHHUKUET-AWEZNQCLSA-N 1 3 311.426 -0.140 20 0 DBADHO CC[C@@H](C(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N(C)C ZINC001522664133 1021833295 /nfs/dbraw/zinc/83/32/95/1021833295.db2.gz GCLIIWFOSANHGE-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C1(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)CCC1 ZINC001526266682 1022473805 /nfs/dbraw/zinc/47/38/05/1022473805.db2.gz ZQELRHPTZDLIEX-NHAGDIPZSA-N 1 3 322.453 -0.005 20 0 DBADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC001566574959 1024257390 /nfs/dbraw/zinc/25/73/90/1024257390.db2.gz PAAYFWCHYUJDMK-STQMWFEESA-N 1 3 324.425 -0.429 20 0 DBADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC001566574959 1024257408 /nfs/dbraw/zinc/25/74/08/1024257408.db2.gz PAAYFWCHYUJDMK-STQMWFEESA-N 1 3 324.425 -0.429 20 0 DBADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001567551029 1024781018 /nfs/dbraw/zinc/78/10/18/1024781018.db2.gz ROPVABDSTGOGJA-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N(C)C(=O)CNCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001567591110 1024802842 /nfs/dbraw/zinc/80/28/42/1024802842.db2.gz WVDSNHGDZKMWGD-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001568713416 1024994285 /nfs/dbraw/zinc/99/42/85/1024994285.db2.gz FMJGCACPYLPQAS-SNVBAGLBSA-N 1 3 301.391 -0.994 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCN1C(=O)CCC1=O ZINC001568826930 1025029283 /nfs/dbraw/zinc/02/92/83/1025029283.db2.gz ISBHXJWZBUAYDT-IBUXWKBASA-N 1 3 322.409 -0.508 20 0 DBADHO CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCN1C ZINC001569189153 1025163786 /nfs/dbraw/zinc/16/37/86/1025163786.db2.gz VAACSUZVZGLKSB-RYUDHWBXSA-N 1 3 310.398 -0.676 20 0 DBADHO CN(CCC[NH2+]CCN1C(=O)CCC1=O)C(=O)CN1CCCC1 ZINC001569267404 1025188160 /nfs/dbraw/zinc/18/81/60/1025188160.db2.gz ULEXIWUPBKIDOJ-UHFFFAOYSA-N 1 3 324.425 -0.331 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(CCOCCO)C2)C1 ZINC001569651444 1025297433 /nfs/dbraw/zinc/29/74/33/1025297433.db2.gz RPODJZGGGYWVOQ-ZBFHGGJFSA-N 1 3 313.442 -0.082 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@]2(C)CCN(CCOCCO)C2)C1 ZINC001569651444 1025297445 /nfs/dbraw/zinc/29/74/45/1025297445.db2.gz RPODJZGGGYWVOQ-ZBFHGGJFSA-N 1 3 313.442 -0.082 20 0 DBADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@H]1C[C@]12CCOC2 ZINC001569949281 1025433791 /nfs/dbraw/zinc/43/37/91/1025433791.db2.gz JTPPOCPXJFPUOK-CJNGLKHVSA-N 1 3 322.409 -0.211 20 0 DBADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@H]1C[C@@]12CCOC2 ZINC001569949282 1025434799 /nfs/dbraw/zinc/43/47/99/1025434799.db2.gz JTPPOCPXJFPUOK-CZUORRHYSA-N 1 3 322.409 -0.211 20 0 DBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H]1CCC(=O)NC1=O ZINC001571402378 1025928393 /nfs/dbraw/zinc/92/83/93/1025928393.db2.gz VMUMZTWVCPSGRF-VXGBXAGGSA-N 1 3 312.414 -0.430 20 0 DBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@@H]1CCC(=O)NC1=O ZINC001571402376 1025932803 /nfs/dbraw/zinc/93/28/03/1025932803.db2.gz VMUMZTWVCPSGRF-NWDGAFQWSA-N 1 3 312.414 -0.430 20 0 DBADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@H]3COCCN3)CC2)CC1 ZINC001573777978 1026632302 /nfs/dbraw/zinc/63/23/02/1026632302.db2.gz LICQQAWNMWBQJN-MRXNPFEDSA-N 1 3 324.469 -0.007 20 0 DBADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@H]3COCCN3)CC2)CC1 ZINC001573777978 1026632308 /nfs/dbraw/zinc/63/23/08/1026632308.db2.gz LICQQAWNMWBQJN-MRXNPFEDSA-N 1 3 324.469 -0.007 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC001573957375 1026675149 /nfs/dbraw/zinc/67/51/49/1026675149.db2.gz PWVMTZSLGYQDRV-GOEBONIOSA-N 1 3 310.442 -0.541 20 0 DBADHO COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC001573976691 1026684396 /nfs/dbraw/zinc/68/43/96/1026684396.db2.gz ZODYQPHFTUVRCP-FVQBIDKESA-N 1 3 311.426 -0.208 20 0 DBADHO O=S(=O)(C[C@@H]1CC[NH2+]C1)N1CC(NC2CCOCC2)C1 ZINC001574438285 1026786798 /nfs/dbraw/zinc/78/67/98/1026786798.db2.gz GUTRQRPAGHMLPX-LLVKDONJSA-N 1 3 303.428 -0.622 20 0 DBADHO C[NH2+]CCNC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000418335200 529977455 /nfs/dbraw/zinc/97/74/55/529977455.db2.gz VAGBELVZPNHIRE-LBPRGKRZSA-N 1 3 301.435 -0.403 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000418960786 529974470 /nfs/dbraw/zinc/97/44/70/529974470.db2.gz JCRAMVYALCMOAE-ZDUSSCGKSA-N 1 3 306.410 -0.041 20 0 DBADHO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358430662 535119862 /nfs/dbraw/zinc/11/98/62/535119862.db2.gz ZXYVNFIERMONQJ-GOEBONIOSA-N 1 3 313.442 -0.038 20 0 DBADHO C[C@H]([NH2+]CC1(N)CCC1)C(=O)N1CCN(c2ncccn2)CC1 ZINC000342143333 138120651 /nfs/dbraw/zinc/12/06/51/138120651.db2.gz SMYPTHKTPAVRBE-ZDUSSCGKSA-N 1 3 318.425 -0.015 20 0 DBADHO CCN1CCN(CCNC(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000358850295 138150710 /nfs/dbraw/zinc/15/07/10/138150710.db2.gz DNKVISIBTGSJAR-UHFFFAOYSA-N 1 3 312.458 -0.244 20 0 DBADHO O=C(NCCCN1CC[NH2+]CC1)NCCNc1ccncc1 ZINC000418283974 237316361 /nfs/dbraw/zinc/31/63/61/237316361.db2.gz BBYRTBPHRZEGLS-UHFFFAOYSA-N 1 3 306.414 -0.490 20 0 DBADHO O=C(COC1CNC1)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000563038232 284019771 /nfs/dbraw/zinc/01/97/71/284019771.db2.gz KHPYXVFDMMQDED-TZMCWYRMSA-N 1 3 324.425 -0.918 20 0 DBADHO C[NH2+]CCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000563118979 284025014 /nfs/dbraw/zinc/02/50/14/284025014.db2.gz WAKDIAFCYVNDEJ-UHFFFAOYSA-N 1 3 303.432 -0.441 20 0 DBADHO CN(C)[C@]1(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CCSC1 ZINC000563588442 284043693 /nfs/dbraw/zinc/04/36/93/284043693.db2.gz MTFDDWFEKDTJLM-JSGCOSHPSA-N 1 3 315.487 -0.292 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1=CC[N@H+](C)CC1 ZINC000563457885 284041216 /nfs/dbraw/zinc/04/12/16/284041216.db2.gz PNHFWRDNJUCKMJ-FPMFFAJLSA-N 1 3 321.425 -0.410 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1=CC[N@@H+](C)CC1 ZINC000563457885 284041220 /nfs/dbraw/zinc/04/12/20/284041220.db2.gz PNHFWRDNJUCKMJ-FPMFFAJLSA-N 1 3 321.425 -0.410 20 0 DBADHO CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000563720784 284047556 /nfs/dbraw/zinc/04/75/56/284047556.db2.gz BQCIFSSTZAAEEJ-GJZGRUSLSA-N 1 3 312.458 -0.418 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564384918 284060051 /nfs/dbraw/zinc/06/00/51/284060051.db2.gz CSPDUVHEWXFYAH-CVEARBPZSA-N 1 3 324.469 -0.320 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564384918 284060053 /nfs/dbraw/zinc/06/00/53/284060053.db2.gz CSPDUVHEWXFYAH-CVEARBPZSA-N 1 3 324.469 -0.320 20 0 DBADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@H](N)C2CCOCC2)CC1 ZINC000564923468 284071801 /nfs/dbraw/zinc/07/18/01/284071801.db2.gz QCPZMEODWFSYIL-HUUCEWRRSA-N 1 3 313.442 -0.051 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000564922910 284071816 /nfs/dbraw/zinc/07/18/16/284071816.db2.gz IBGWLZPOFCWHTF-CHWSQXEVSA-N 1 3 315.414 -0.524 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000564922912 284072007 /nfs/dbraw/zinc/07/20/07/284072007.db2.gz IBGWLZPOFCWHTF-OLZOCXBDSA-N 1 3 315.414 -0.524 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCN1CCN(C)C(C)(C)C1 ZINC000564865135 284069749 /nfs/dbraw/zinc/06/97/49/284069749.db2.gz WMRXSISWGSVLGF-AWEZNQCLSA-N 1 3 303.447 -0.374 20 0 DBADHO CN[C@@H](C)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000565312137 284092937 /nfs/dbraw/zinc/09/29/37/284092937.db2.gz AILCWEDCFPVHBY-VIFPVBQESA-N 1 3 300.384 -0.530 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000643545438 374262960 /nfs/dbraw/zinc/26/29/60/374262960.db2.gz UCLUCAHAKMDFRQ-MQYQWHSLSA-N 1 3 308.426 -0.123 20 0 DBADHO CO[C@H](C[NH3+])CC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000232118069 374287013 /nfs/dbraw/zinc/28/70/13/374287013.db2.gz DOYKDSIIMPBMNU-UONOGXRCSA-N 1 3 300.447 -0.262 20 0 DBADHO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000643591565 374289031 /nfs/dbraw/zinc/28/90/31/374289031.db2.gz MUNHZTCGDYTAFY-IGQOVBAYSA-N 1 3 308.426 -0.123 20 0 DBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](N)C(C)(C)C)cn1 ZINC000262654526 374413471 /nfs/dbraw/zinc/41/34/71/374413471.db2.gz BZRDXJPIZFYRHU-CYBMUJFWSA-N 1 3 324.429 -0.127 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000642731662 374464986 /nfs/dbraw/zinc/46/49/86/374464986.db2.gz DEEOSBLNXNYGJV-OKILXGFUSA-N 1 3 308.426 -0.488 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N(C)C1CC1 ZINC000642773277 374512919 /nfs/dbraw/zinc/51/29/19/374512919.db2.gz IAAZVVYBCKYPLA-YRGRVCCFSA-N 1 3 308.426 -0.204 20 0 DBADHO O=C(NC[C@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785841 374571924 /nfs/dbraw/zinc/57/19/24/374571924.db2.gz MPDSVWBRCZFYKN-ZIAGYGMSSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642785851 374572365 /nfs/dbraw/zinc/57/23/65/374572365.db2.gz NEPUTUJRBYNZTQ-MJBXVCDLSA-N 1 3 306.410 -0.735 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642785945 374573948 /nfs/dbraw/zinc/57/39/48/374573948.db2.gz SUVXWIMZOOTSNQ-ZIAGYGMSSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642786055 374574056 /nfs/dbraw/zinc/57/40/56/374574056.db2.gz ZRQPWJDUSOMBHI-XBFCOCLRSA-N 1 3 308.426 -0.299 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000642786037 374574640 /nfs/dbraw/zinc/57/46/40/374574640.db2.gz YCFCXPBVONBBIC-QLFBSQMISA-N 1 3 320.437 -0.060 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)CN2CCOCC2)CCCO1 ZINC000568990408 374627424 /nfs/dbraw/zinc/62/74/24/374627424.db2.gz CWRIDERFWQLBPB-CVEARBPZSA-N 1 3 315.458 -0.230 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)CN2CCOCC2)CCCO1 ZINC000568990408 374627431 /nfs/dbraw/zinc/62/74/31/374627431.db2.gz CWRIDERFWQLBPB-CVEARBPZSA-N 1 3 315.458 -0.230 20 0 DBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642892952 374882524 /nfs/dbraw/zinc/88/25/24/374882524.db2.gz FGRBPLKRBDHSLR-ZDUSSCGKSA-N 1 3 317.393 -0.402 20 0 DBADHO CN(CCOCC[NH3+])CCC(=O)NC(=O)NCC(F)(F)F ZINC000600734205 374843999 /nfs/dbraw/zinc/84/39/99/374843999.db2.gz FWQAHFNQLLERPS-UHFFFAOYSA-N 1 3 314.308 -0.328 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[NH2+]2)cn1 ZINC000237170756 374960452 /nfs/dbraw/zinc/96/04/52/374960452.db2.gz YKNRKYIZGQNKAU-LBPRGKRZSA-N 1 3 308.386 -0.749 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642904852 374979878 /nfs/dbraw/zinc/97/98/78/374979878.db2.gz AIOQRENUKDVZIG-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC[C@H](C)[NH3+])o1 ZINC000642909562 374989457 /nfs/dbraw/zinc/98/94/57/374989457.db2.gz PDXQBNQRAZQHIM-NSHDSACASA-N 1 3 310.398 -0.058 20 0 DBADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000642910687 374992019 /nfs/dbraw/zinc/99/20/19/374992019.db2.gz LKDNKAQXAKWXEC-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000642910686 374993183 /nfs/dbraw/zinc/99/31/83/374993183.db2.gz LKDNKAQXAKWXEC-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cn1 ZINC000262671762 375029718 /nfs/dbraw/zinc/02/97/18/375029718.db2.gz OTXSSZVSRYUANU-NEPJUHHUSA-N 1 3 322.413 -0.373 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000642929828 375042549 /nfs/dbraw/zinc/04/25/49/375042549.db2.gz PBZFGSQFOSYEEN-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642939594 375139916 /nfs/dbraw/zinc/13/99/16/375139916.db2.gz IPSJKQCEWSFGFJ-LBPRGKRZSA-N 1 3 305.382 -0.559 20 0 DBADHO CN1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)[C@@H](CN)C1 ZINC000569720807 375306403 /nfs/dbraw/zinc/30/64/03/375306403.db2.gz LEBXDZVJKLNDJP-KGLIPLIRSA-N 1 3 306.414 -0.478 20 0 DBADHO CC(C)[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)N1CCN(C)CC1 ZINC000317718164 375362172 /nfs/dbraw/zinc/36/21/72/375362172.db2.gz MUUPPEJCCSSYRR-GJZGRUSLSA-N 1 3 312.458 -0.247 20 0 DBADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCC1 ZINC000570943273 375427227 /nfs/dbraw/zinc/42/72/27/375427227.db2.gz RUXNBLMPDAAGLK-CHWSQXEVSA-N 1 3 323.441 -0.186 20 0 DBADHO [NH3+][C@@H]1C[C@H]2CN(C(=O)c3cc4c(s3)CCNC4)CCN2C1=O ZINC000594878000 375963547 /nfs/dbraw/zinc/96/35/47/375963547.db2.gz AHHRLXXPIPBERZ-WDEREUQCSA-N 1 3 320.418 -0.222 20 0 DBADHO COC(=O)c1cn([C@@H]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nn1 ZINC000595894580 376043717 /nfs/dbraw/zinc/04/37/17/376043717.db2.gz XBIWQNOVQMQRCH-NEPJUHHUSA-N 1 3 321.381 -0.168 20 0 DBADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CNC[C@H](C)O3)C2)CC1 ZINC000595926776 376043967 /nfs/dbraw/zinc/04/39/67/376043967.db2.gz RKDZBNFEIPAQGG-XHSDSOJGSA-N 1 3 324.469 -0.010 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000595262026 375982750 /nfs/dbraw/zinc/98/27/50/375982750.db2.gz GQSBKDMAZHQAOF-IACUBPJLSA-N 1 3 323.441 -0.330 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000595262025 375982852 /nfs/dbraw/zinc/98/28/52/375982852.db2.gz GQSBKDMAZHQAOF-FPMFFAJLSA-N 1 3 323.441 -0.330 20 0 DBADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595267287 375986463 /nfs/dbraw/zinc/98/64/63/375986463.db2.gz WCPZRRLQHOZRLX-AGIUHOORSA-N 1 3 311.430 -0.332 20 0 DBADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595267287 375986469 /nfs/dbraw/zinc/98/64/69/375986469.db2.gz WCPZRRLQHOZRLX-AGIUHOORSA-N 1 3 311.430 -0.332 20 0 DBADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595274299 375988894 /nfs/dbraw/zinc/98/88/94/375988894.db2.gz UWOCZCTZKRXLNA-YNEHKIRRSA-N 1 3 309.414 -0.576 20 0 DBADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595274299 375988903 /nfs/dbraw/zinc/98/89/03/375988903.db2.gz UWOCZCTZKRXLNA-YNEHKIRRSA-N 1 3 309.414 -0.576 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCC3CC[NH2+]CC3)CCN2C1=O ZINC000595271927 375989534 /nfs/dbraw/zinc/98/95/34/375989534.db2.gz QHMSRUZKJAJDEM-CHWSQXEVSA-N 1 3 309.414 -0.671 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCN2C1=O ZINC000595273002 375989654 /nfs/dbraw/zinc/98/96/54/375989654.db2.gz HAXRQCZVNWYTGD-XJFOESAGSA-N 1 3 321.425 -0.672 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)c3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000595969582 376053536 /nfs/dbraw/zinc/05/35/36/376053536.db2.gz FSKLRNIFITWUDI-IUODEOHRSA-N 1 3 314.389 -0.284 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595997046 376067043 /nfs/dbraw/zinc/06/70/43/376067043.db2.gz KBTZMCQQJMCZCD-CHWSQXEVSA-N 1 3 315.414 -0.164 20 0 DBADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@]3(C)CNCCO3)C2)CC1 ZINC000602479715 376447878 /nfs/dbraw/zinc/44/78/78/376447878.db2.gz APFWSZJJMIQBEV-NVXWUHKLSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000627377331 376520313 /nfs/dbraw/zinc/52/03/13/376520313.db2.gz GLBCOSGCPGCWNO-CQSZACIVSA-N 1 3 304.394 -0.158 20 0 DBADHO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636761813 376483669 /nfs/dbraw/zinc/48/36/69/376483669.db2.gz LZPDHGOIWSALGU-UONOGXRCSA-N 1 3 314.430 -0.537 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637263143 376760456 /nfs/dbraw/zinc/76/04/56/376760456.db2.gz FISMEATVLKXUJE-AVGNSLFASA-N 1 3 313.446 -0.179 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1C[C@H](C(N)=O)C1 ZINC000637263143 376760462 /nfs/dbraw/zinc/76/04/62/376760462.db2.gz FISMEATVLKXUJE-AVGNSLFASA-N 1 3 313.446 -0.179 20 0 DBADHO CN(C(=O)[C@@H]1CN(C)CCO1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365748833 376860122 /nfs/dbraw/zinc/86/01/22/376860122.db2.gz CMJSXZMCKPJCOY-CVEARBPZSA-N 1 3 324.469 -0.056 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000637532522 376928071 /nfs/dbraw/zinc/92/80/71/376928071.db2.gz FLMQQJXCHSWXFU-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000637532522 376928078 /nfs/dbraw/zinc/92/80/78/376928078.db2.gz FLMQQJXCHSWXFU-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO C[NH+](C)C1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000571061666 377011190 /nfs/dbraw/zinc/01/11/90/377011190.db2.gz BUFICPVWLBEPII-CLRIEMFWSA-N 1 3 323.441 -0.187 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000268974818 377378040 /nfs/dbraw/zinc/37/80/40/377378040.db2.gz NFDWUDGEKGBEDJ-HZRUHFOJSA-N 1 3 308.426 -0.131 20 0 DBADHO CCN1CCN(CCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000279094604 377642669 /nfs/dbraw/zinc/64/26/69/377642669.db2.gz WPGVHLCQQPUZHW-ZDUSSCGKSA-N 1 3 320.441 -0.146 20 0 DBADHO CN(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C)CNCCO2)CC1 ZINC000638080950 377803515 /nfs/dbraw/zinc/80/35/15/377803515.db2.gz YYQRQNABFDDLPM-MRXNPFEDSA-N 1 3 312.458 -0.245 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000638279703 377869540 /nfs/dbraw/zinc/86/95/40/377869540.db2.gz VJIOINYFSONYHS-GOEBONIOSA-N 1 3 312.458 -0.151 20 0 DBADHO C[C@@]1(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CNCCO1 ZINC000638335741 377877031 /nfs/dbraw/zinc/87/70/31/377877031.db2.gz MZBPQHLXOBNAGQ-XUJLQICISA-N 1 3 310.442 -0.303 20 0 DBADHO C[C@@]1(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CNCCO1 ZINC000638335741 377877034 /nfs/dbraw/zinc/87/70/34/377877034.db2.gz MZBPQHLXOBNAGQ-XUJLQICISA-N 1 3 310.442 -0.303 20 0 DBADHO CCO[C@@H]1CN(C(=O)c2cnn(CCN(C)C)c2)C[C@H]1C[NH3+] ZINC000638392077 377888571 /nfs/dbraw/zinc/88/85/71/377888571.db2.gz WZUKUTVVTKQLBZ-TZMCWYRMSA-N 1 3 309.414 -0.120 20 0 DBADHO N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000638407157 377899358 /nfs/dbraw/zinc/89/93/58/377899358.db2.gz URUURMOLGGWFPQ-XHSDSOJGSA-N 1 3 319.405 -0.014 20 0 DBADHO N[C@@H]1CCO[C@@H]1C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000638407157 377899360 /nfs/dbraw/zinc/89/93/60/377899360.db2.gz URUURMOLGGWFPQ-XHSDSOJGSA-N 1 3 319.405 -0.014 20 0 DBADHO O=C(CN1CC[NH2+]CC1)N1CCN(CC2CCOCC2)CC1 ZINC000638115091 377842055 /nfs/dbraw/zinc/84/20/55/377842055.db2.gz PBPWAWUPBKGZDH-UHFFFAOYSA-N 1 3 310.442 -0.538 20 0 DBADHO CC(C)[C@H]1CNCCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638490841 377940706 /nfs/dbraw/zinc/94/07/06/377940706.db2.gz YRYLPLNOQALDMY-ZIAGYGMSSA-N 1 3 310.442 -0.147 20 0 DBADHO CC(C)[C@H]1CNCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638490838 377941537 /nfs/dbraw/zinc/94/15/37/377941537.db2.gz YRYLPLNOQALDMY-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000638593011 378013800 /nfs/dbraw/zinc/01/38/00/378013800.db2.gz YPKSKUKENCBWTR-CYBMUJFWSA-N 1 3 314.430 -0.909 20 0 DBADHO COC[C@]1(C(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)CCCCN1 ZINC000638754717 378073913 /nfs/dbraw/zinc/07/39/13/378073913.db2.gz DBIPJYGNSKEHLO-ZFWWWQNUSA-N 1 3 322.413 -0.413 20 0 DBADHO COC[C@]1(C(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)CCCCN1 ZINC000638754715 378074005 /nfs/dbraw/zinc/07/40/05/378074005.db2.gz DBIPJYGNSKEHLO-HIFRSBDPSA-N 1 3 322.413 -0.413 20 0 DBADHO O=C(C[C@@H]1CNCCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638778806 378077920 /nfs/dbraw/zinc/07/79/20/378077920.db2.gz GIUMZBUJTBXTHY-HUUCEWRRSA-N 1 3 311.426 -0.018 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000342766793 378115025 /nfs/dbraw/zinc/11/50/25/378115025.db2.gz XKGPOJQARGHQQJ-ZWNOBZJWSA-N 1 3 303.428 -0.180 20 0 DBADHO COC[C@@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CCCC[NH2+]1 ZINC000638909020 378152960 /nfs/dbraw/zinc/15/29/60/378152960.db2.gz BOCVZIAQFIQBHG-UKRRQHHQSA-N 1 3 322.413 -0.331 20 0 DBADHO C[NH+](C)CC[C@@H](N)C(=O)Nc1cc(N2CCNCC2)ccn1 ZINC000638985756 378279893 /nfs/dbraw/zinc/27/98/93/378279893.db2.gz NRHPYOQMEUNNRP-CYBMUJFWSA-N 1 3 306.414 -0.291 20 0 DBADHO CO[C@H]1CN[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)C1 ZINC000638984918 378281664 /nfs/dbraw/zinc/28/16/64/378281664.db2.gz VBYLAYIIVJXLMJ-CHWSQXEVSA-N 1 3 305.382 -0.193 20 0 DBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343297979 378318565 /nfs/dbraw/zinc/31/85/65/378318565.db2.gz NBIFTZXUQLQNDN-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NCCN(C)C2CC2)C1 ZINC000343297979 378318570 /nfs/dbraw/zinc/31/85/70/378318570.db2.gz NBIFTZXUQLQNDN-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343301578 378324238 /nfs/dbraw/zinc/32/42/38/378324238.db2.gz OXZTZMDODXQMCU-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343301578 378324241 /nfs/dbraw/zinc/32/42/41/378324241.db2.gz OXZTZMDODXQMCU-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343312865 378338199 /nfs/dbraw/zinc/33/81/99/378338199.db2.gz QXNKGAHKUQMEAM-BXUZGUMPSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343312865 378338205 /nfs/dbraw/zinc/33/82/05/378338205.db2.gz QXNKGAHKUQMEAM-BXUZGUMPSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343312869 378339507 /nfs/dbraw/zinc/33/95/07/378339507.db2.gz QXNKGAHKUQMEAM-SMDDNHRTSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343312869 378339511 /nfs/dbraw/zinc/33/95/11/378339511.db2.gz QXNKGAHKUQMEAM-SMDDNHRTSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CCNS(C)(=O)=O ZINC000617504446 378367654 /nfs/dbraw/zinc/36/76/54/378367654.db2.gz WDURWZOVVTUINA-LBPRGKRZSA-N 1 3 322.475 -0.686 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CCNS(C)(=O)=O ZINC000617504446 378367660 /nfs/dbraw/zinc/36/76/60/378367660.db2.gz WDURWZOVVTUINA-LBPRGKRZSA-N 1 3 322.475 -0.686 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(n2cnnn2)CC1 ZINC000617502657 378367751 /nfs/dbraw/zinc/36/77/51/378367751.db2.gz XTDFSLNYOMIIKG-LBPRGKRZSA-N 1 3 309.418 -0.450 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(n2cnnn2)CC1 ZINC000617502657 378367756 /nfs/dbraw/zinc/36/77/56/378367756.db2.gz XTDFSLNYOMIIKG-LBPRGKRZSA-N 1 3 309.418 -0.450 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NCC[N@H+](C)CCOC)C1 ZINC000347027538 378382945 /nfs/dbraw/zinc/38/29/45/378382945.db2.gz IHFRTRCABYOKFF-CYBMUJFWSA-N 1 3 302.419 -0.416 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NCC[N@@H+](C)CCOC)C1 ZINC000347027538 378382950 /nfs/dbraw/zinc/38/29/50/378382950.db2.gz IHFRTRCABYOKFF-CYBMUJFWSA-N 1 3 302.419 -0.416 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN)CC[C@H]21 ZINC000332187606 378539358 /nfs/dbraw/zinc/53/93/58/378539358.db2.gz YMVFNHFYHUWMAE-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]3CN)CC[C@H]21 ZINC000332187606 378539365 /nfs/dbraw/zinc/53/93/65/378539365.db2.gz YMVFNHFYHUWMAE-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@H]1[NH3+] ZINC000332129201 378540317 /nfs/dbraw/zinc/54/03/17/378540317.db2.gz BMVCJWGPAXYNHX-MGPQQGTHSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1N(C)C ZINC000332253009 378541608 /nfs/dbraw/zinc/54/16/08/378541608.db2.gz SVNMYZHPYZMGNG-AAVRWANBSA-N 1 3 308.426 -0.537 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C[C@@H]1C[NH3+] ZINC000332671745 378545369 /nfs/dbraw/zinc/54/53/69/378545369.db2.gz SBTUCBNCGOZZHF-RDBSUJKOSA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2C)CC[NH2+]1 ZINC000332590823 378545454 /nfs/dbraw/zinc/54/54/54/378545454.db2.gz LTVXLFCZEHZFPS-AAVRWANBSA-N 1 3 308.426 -0.062 20 0 DBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)C1 ZINC000332654989 378546179 /nfs/dbraw/zinc/54/61/79/378546179.db2.gz VOHIDJUUWMABQS-MJBXVCDLSA-N 1 3 308.426 -0.108 20 0 DBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2C)C1 ZINC000332654980 378546615 /nfs/dbraw/zinc/54/66/15/378546615.db2.gz VOHIDJUUWMABQS-BFHYXJOUSA-N 1 3 308.426 -0.108 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333819653 378566278 /nfs/dbraw/zinc/56/62/78/378566278.db2.gz KRHUDBIXIBIFGC-KGLIPLIRSA-N 1 3 323.441 -0.314 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000627498064 378724404 /nfs/dbraw/zinc/72/44/04/378724404.db2.gz HJSMPJMVEHKOAK-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354748132 378761056 /nfs/dbraw/zinc/76/10/56/378761056.db2.gz KYIMAWOCJLJVKR-XBFCOCLRSA-N 1 3 308.426 -0.156 20 0 DBADHO CN(C)CCN(C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000356103947 378853767 /nfs/dbraw/zinc/85/37/67/378853767.db2.gz VRWFUPNNSHQZCS-CYBMUJFWSA-N 1 3 313.446 -0.223 20 0 DBADHO CN(C)CCN(C)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000356103947 378853771 /nfs/dbraw/zinc/85/37/71/378853771.db2.gz VRWFUPNNSHQZCS-CYBMUJFWSA-N 1 3 313.446 -0.223 20 0 DBADHO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000357296286 378933905 /nfs/dbraw/zinc/93/39/05/378933905.db2.gz LAIOOAOTBXJARG-RGCMKSIDSA-N 1 3 310.442 -0.101 20 0 DBADHO CCN1CCN(CCC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000357270361 378933964 /nfs/dbraw/zinc/93/39/64/378933964.db2.gz OZBFRKZOVUMVFX-MRXNPFEDSA-N 1 3 312.458 -0.101 20 0 DBADHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000357924713 378977884 /nfs/dbraw/zinc/97/78/84/378977884.db2.gz IYVPNOVVNDRQFF-ZIAGYGMSSA-N 1 3 311.426 -0.140 20 0 DBADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1C[C@@H](O)CN1 ZINC000357924713 378977889 /nfs/dbraw/zinc/97/78/89/378977889.db2.gz IYVPNOVVNDRQFF-ZIAGYGMSSA-N 1 3 311.426 -0.140 20 0 DBADHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000357924710 378979197 /nfs/dbraw/zinc/97/91/97/378979197.db2.gz IYVPNOVVNDRQFF-KGLIPLIRSA-N 1 3 311.426 -0.140 20 0 DBADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@@H](O)CN1 ZINC000357924710 378979202 /nfs/dbraw/zinc/97/92/02/378979202.db2.gz IYVPNOVVNDRQFF-KGLIPLIRSA-N 1 3 311.426 -0.140 20 0 DBADHO CN(C/C=C/C[N@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000359602640 379179866 /nfs/dbraw/zinc/17/98/66/379179866.db2.gz QLYLMWCRPVETIP-PIGHNIFASA-N 1 3 314.426 -0.291 20 0 DBADHO CN(C/C=C/C[N@@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000359602640 379179873 /nfs/dbraw/zinc/17/98/73/379179873.db2.gz QLYLMWCRPVETIP-PIGHNIFASA-N 1 3 314.426 -0.291 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC1=O ZINC000368178823 379531130 /nfs/dbraw/zinc/53/11/30/379531130.db2.gz LTMUCVKTWXEKAN-BFHYXJOUSA-N 1 3 308.426 -0.393 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643453594 379644520 /nfs/dbraw/zinc/64/45/20/379644520.db2.gz KHBRJEGDJYPUBY-KBPBESRZSA-N 1 3 318.487 -0.329 20 0 DBADHO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCC[C@H]2CN)CC1 ZINC000643453594 379644531 /nfs/dbraw/zinc/64/45/31/379644531.db2.gz KHBRJEGDJYPUBY-KBPBESRZSA-N 1 3 318.487 -0.329 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1CCCCN1CCO ZINC000418305585 379687617 /nfs/dbraw/zinc/68/76/17/379687617.db2.gz OYVXTMXDDFBUPZ-AWEZNQCLSA-N 1 3 313.446 -0.962 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000584680412 379835009 /nfs/dbraw/zinc/83/50/09/379835009.db2.gz CGZHGIQYKPKNKG-KWCYVHTRSA-N 1 3 308.426 -0.252 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000584680413 379835296 /nfs/dbraw/zinc/83/52/96/379835296.db2.gz CGZHGIQYKPKNKG-MRVWCRGKSA-N 1 3 308.426 -0.252 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000584712647 379839220 /nfs/dbraw/zinc/83/92/20/379839220.db2.gz NXGSLFNFHHUFSH-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000584712648 379839494 /nfs/dbraw/zinc/83/94/94/379839494.db2.gz NXGSLFNFHHUFSH-MGPQQGTHSA-N 1 3 308.426 -0.203 20 0 DBADHO COCC[NH2+]CCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000418504390 379874928 /nfs/dbraw/zinc/87/49/28/379874928.db2.gz BOOXIPOYHNVBDR-ZDUSSCGKSA-N 1 3 302.419 -0.632 20 0 DBADHO C[C@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C[C@H]1C[NH3+] ZINC000419775848 379969020 /nfs/dbraw/zinc/96/90/20/379969020.db2.gz LIOJDMUKCIDLDY-QWHCGFSZSA-N 1 3 314.430 -0.876 20 0 DBADHO COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC[NH3+])c1 ZINC000419811599 379971611 /nfs/dbraw/zinc/97/16/11/379971611.db2.gz DAEQKVIIHFKBPB-UHFFFAOYSA-N 1 3 322.409 -0.340 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCC[NH3+] ZINC000419825309 379972881 /nfs/dbraw/zinc/97/28/81/379972881.db2.gz AOGSKEAVGGFXRT-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCC[NH3+])o1 ZINC000419827742 379975605 /nfs/dbraw/zinc/97/56/05/379975605.db2.gz BVCUHGMAEDMEOZ-UHFFFAOYSA-N 1 3 310.398 -0.057 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCSC1 ZINC000419576969 379941538 /nfs/dbraw/zinc/94/15/38/379941538.db2.gz CVAKWWNEZHARBV-RISCZKNCSA-N 1 3 314.455 -0.607 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCSC1 ZINC000419582154 379943538 /nfs/dbraw/zinc/94/35/38/379943538.db2.gz KABXGQGFECUURI-BXUZGUMPSA-N 1 3 314.455 -0.510 20 0 DBADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000419692186 379953849 /nfs/dbraw/zinc/95/38/49/379953849.db2.gz GGDVSRDYVLEENL-NFAWXSAZSA-N 1 3 320.437 -0.060 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C1 ZINC000419689627 379954275 /nfs/dbraw/zinc/95/42/75/379954275.db2.gz ARGUAMRYMBBEHS-CHWSQXEVSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)C[C@H]1[NH3+] ZINC000419697439 379955422 /nfs/dbraw/zinc/95/54/22/379955422.db2.gz QPTRPNGQUGDXNF-YRGRVCCFSA-N 1 3 308.426 -0.075 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CC1 ZINC000419875606 379985134 /nfs/dbraw/zinc/98/51/34/379985134.db2.gz WVBOFKRDFQINPR-UONOGXRCSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419876124 379986802 /nfs/dbraw/zinc/98/68/02/379986802.db2.gz HPCSTIFJJYRIPA-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419912488 379994867 /nfs/dbraw/zinc/99/48/67/379994867.db2.gz ITRJJTNZZMUDHV-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000420003014 380004304 /nfs/dbraw/zinc/00/43/04/380004304.db2.gz SLRFTPHUKPFIQX-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419983803 380010882 /nfs/dbraw/zinc/01/08/82/380010882.db2.gz UOZMTADVELHTKW-GFCCVEGCSA-N 1 3 302.419 -0.878 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420069169 380018044 /nfs/dbraw/zinc/01/80/44/380018044.db2.gz BGMWMQYMFJYZEC-GFCCVEGCSA-N 1 3 314.430 -0.591 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CC1 ZINC000420069694 380018115 /nfs/dbraw/zinc/01/81/15/380018115.db2.gz VTVZTBFLNRJECV-UONOGXRCSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420028163 380021113 /nfs/dbraw/zinc/02/11/13/380021113.db2.gz DMPKDBYMZSIPPC-GHMZBOCLSA-N 1 3 300.403 -0.764 20 0 DBADHO COCCN(C)CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000074252630 380094664 /nfs/dbraw/zinc/09/46/64/380094664.db2.gz VJCWBKZKXSUUJH-ZDUSSCGKSA-N 1 3 314.430 -0.909 20 0 DBADHO C[NH2+]CCN(C)S(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000571920903 380125717 /nfs/dbraw/zinc/12/57/17/380125717.db2.gz OTNWHIOFCGWUJP-UHFFFAOYSA-N 1 3 317.459 -0.099 20 0 DBADHO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000422124275 380256728 /nfs/dbraw/zinc/25/67/28/380256728.db2.gz YXOYSATXYOCHGR-MELADBBJSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C[C@@H]1CCC[N@H+]1C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000422124275 380256731 /nfs/dbraw/zinc/25/67/31/380256731.db2.gz YXOYSATXYOCHGR-MELADBBJSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N(CCN(C)C)Cc2ccco2)C1 ZINC000423365861 380328877 /nfs/dbraw/zinc/32/88/77/380328877.db2.gz KTUWEAQRRYAUBT-CYBMUJFWSA-N 1 3 322.409 -0.010 20 0 DBADHO [NH3+][C@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CCC1 ZINC000423385485 380335908 /nfs/dbraw/zinc/33/59/08/380335908.db2.gz QTZYQSIVDUXXTO-HNNXBMFYSA-N 1 3 308.426 -0.120 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423511679 380341165 /nfs/dbraw/zinc/34/11/65/380341165.db2.gz AUEYHSFJZWEFLL-CHWSQXEVSA-N 1 3 308.426 -0.393 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000423495884 380341499 /nfs/dbraw/zinc/34/14/99/380341499.db2.gz FQFPXVFTRJIKRM-MRXNPFEDSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@H]1[NH3+] ZINC000643498843 380486501 /nfs/dbraw/zinc/48/65/01/380486501.db2.gz LLVHPEVEQBADNN-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643502880 380493946 /nfs/dbraw/zinc/49/39/46/380493946.db2.gz UMPXCBOFUMQQFG-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[NH2+]1 ZINC000626889532 380501679 /nfs/dbraw/zinc/50/16/79/380501679.db2.gz FNTZBAVDKHSYKR-VXGBXAGGSA-N 1 3 322.413 -0.360 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CCO1 ZINC000643505780 380503185 /nfs/dbraw/zinc/50/31/85/380503185.db2.gz NGAKIAVMHRIKCM-RWMBFGLXSA-N 1 3 312.414 -0.886 20 0 DBADHO O=C(C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)N1CCN2CCC[C@@H]2C1 ZINC000643513450 380531223 /nfs/dbraw/zinc/53/12/23/380531223.db2.gz WPTIUIGJQJVWGU-MGPQQGTHSA-N 1 3 306.410 -0.497 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643513449 380532027 /nfs/dbraw/zinc/53/20/27/380532027.db2.gz WPTIUIGJQJVWGU-MCIONIFRSA-N 1 3 306.410 -0.497 20 0 DBADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)C[C@H]12 ZINC000643513430 380532041 /nfs/dbraw/zinc/53/20/41/380532041.db2.gz SEFNPYIUEZQWFP-YIYPIFLZSA-N 1 3 306.410 -0.511 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643513451 380532463 /nfs/dbraw/zinc/53/24/63/380532463.db2.gz WPTIUIGJQJVWGU-MJBXVCDLSA-N 1 3 306.410 -0.497 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000643516816 380543026 /nfs/dbraw/zinc/54/30/26/380543026.db2.gz YTALVQPKXOAXOB-BARDWOONSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000643516817 380543474 /nfs/dbraw/zinc/54/34/74/380543474.db2.gz YTALVQPKXOAXOB-KBUPBQIOSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643516726 380543553 /nfs/dbraw/zinc/54/35/53/380543553.db2.gz OKEXCVYQMWRGKC-BARDWOONSA-N 1 3 320.437 -0.108 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1=O ZINC000435240873 380586846 /nfs/dbraw/zinc/58/68/46/380586846.db2.gz QXOFFUUFCZSZHA-GXTWGEPZSA-N 1 3 308.426 -0.251 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)C[C@H]1CCCN1C ZINC000629807192 380729151 /nfs/dbraw/zinc/72/91/51/380729151.db2.gz AYUGTFKYEWNYIP-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629808483 380730238 /nfs/dbraw/zinc/73/02/38/380730238.db2.gz IJMIPGYDKYFUHH-XYPHTWIQSA-N 1 3 322.453 -0.003 20 0 DBADHO COCCN(C)C[C@@H](O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641220213 380865887 /nfs/dbraw/zinc/86/58/87/380865887.db2.gz AUOCXTMIVYUTAR-UKRRQHHQSA-N 1 3 311.430 -0.241 20 0 DBADHO C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000642094844 380986769 /nfs/dbraw/zinc/98/67/69/380986769.db2.gz DVLDORWGQWDGQA-GXTWGEPZSA-N 1 3 306.410 -0.261 20 0 DBADHO C[C@H](CNC(=O)NCCOCCC[NH3+])CN1CCN(C)CC1 ZINC000626986726 381050457 /nfs/dbraw/zinc/05/04/57/381050457.db2.gz LSCYVKIVBMLAJJ-CQSZACIVSA-N 1 3 315.462 -0.466 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)N(C)CCOCC[NH3+] ZINC000626974137 381043142 /nfs/dbraw/zinc/04/31/42/381043142.db2.gz AEUCZHSCTSQEBN-CYBMUJFWSA-N 1 3 302.419 -0.286 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cn[nH]c1=O ZINC000132484879 381442674 /nfs/dbraw/zinc/44/26/74/381442674.db2.gz DVXYAQMBSGYSGW-CYBMUJFWSA-N 1 3 324.429 -0.554 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)Cn1cn[nH]c1=O ZINC000132484879 381442680 /nfs/dbraw/zinc/44/26/80/381442680.db2.gz DVXYAQMBSGYSGW-CYBMUJFWSA-N 1 3 324.429 -0.554 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1=O ZINC000081366568 381558629 /nfs/dbraw/zinc/55/86/29/381558629.db2.gz KNMHLYOQEKVOLX-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CCC[N@@H+](C)C2)CC1=O ZINC000081366568 381558631 /nfs/dbraw/zinc/55/86/31/381558631.db2.gz KNMHLYOQEKVOLX-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO CN1CC[C@@H]2CCN(C(=O)CCNC(=O)[C@@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000566008247 381635196 /nfs/dbraw/zinc/63/51/96/381635196.db2.gz SGZWHWRXMXCEJM-HZSPNIEDSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)[NH2+]CCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000566618359 381665848 /nfs/dbraw/zinc/66/58/48/381665848.db2.gz HEQKVLRMYHTXAK-UHFFFAOYSA-N 1 3 324.429 -0.113 20 0 DBADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566984876 381677642 /nfs/dbraw/zinc/67/76/42/381677642.db2.gz WCPZRRLQHOZRLX-RWMBFGLXSA-N 1 3 311.430 -0.332 20 0 DBADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566984876 381677648 /nfs/dbraw/zinc/67/76/48/381677648.db2.gz WCPZRRLQHOZRLX-RWMBFGLXSA-N 1 3 311.430 -0.332 20 0 DBADHO CC(C)OC[C@H](O)CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000567682421 381707516 /nfs/dbraw/zinc/70/75/16/381707516.db2.gz QFSHYASAWYPAMV-UONOGXRCSA-N 1 3 301.431 -0.051 20 0 DBADHO CC(C)OC[C@H](O)CNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000567682421 381707523 /nfs/dbraw/zinc/70/75/23/381707523.db2.gz QFSHYASAWYPAMV-UONOGXRCSA-N 1 3 301.431 -0.051 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CCN2C1=O ZINC000568267188 381751390 /nfs/dbraw/zinc/75/13/90/381751390.db2.gz CAHHNRGUXYOMSZ-KXCXXGIZSA-N 1 3 320.437 -0.090 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CCN2C1=O ZINC000568267189 381752219 /nfs/dbraw/zinc/75/22/19/381752219.db2.gz CAHHNRGUXYOMSZ-LWWDWZNRSA-N 1 3 320.437 -0.090 20 0 DBADHO N[C@@H](CC(F)F)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572760251 381800557 /nfs/dbraw/zinc/80/05/57/381800557.db2.gz JCEVWYSGPFLZAH-YUMQZZPRSA-N 1 3 318.290 -0.079 20 0 DBADHO CNS(=O)(=O)CCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000569222775 381792559 /nfs/dbraw/zinc/79/25/59/381792559.db2.gz QYTNBNHRIUWKNL-LBPRGKRZSA-N 1 3 305.444 -0.387 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000568505555 381761943 /nfs/dbraw/zinc/76/19/43/381761943.db2.gz BQDQUSUTOLJPKK-INIZCTEOSA-N 1 3 312.458 -0.244 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000573701889 381836462 /nfs/dbraw/zinc/83/64/62/381836462.db2.gz MHOUGJSQFZKSJF-MJBXVCDLSA-N 1 3 308.426 -0.203 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)C[C@@H]21 ZINC000572868813 381802995 /nfs/dbraw/zinc/80/29/95/381802995.db2.gz IDZZMOPFCHUZCP-ZQNQSHIBSA-N 1 3 320.437 -0.265 20 0 DBADHO C[C@@]1(C(N)=O)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000573151454 381816871 /nfs/dbraw/zinc/81/68/71/381816871.db2.gz LROOASLXWFEDOU-MRXNPFEDSA-N 1 3 308.426 -0.073 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CCN2C1=O ZINC000574703230 381876086 /nfs/dbraw/zinc/87/60/86/381876086.db2.gz AWDFOSDMTJWNQN-MELADBBJSA-N 1 3 320.368 -0.362 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)CCN2C1=O ZINC000574704940 381876753 /nfs/dbraw/zinc/87/67/53/381876753.db2.gz SPPRJACDQMMVKD-VHDGCEQUSA-N 1 3 314.389 -0.356 20 0 DBADHO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000574823429 381880105 /nfs/dbraw/zinc/88/01/05/381880105.db2.gz LCHCXJMYTLFWIZ-RDBSUJKOSA-N 1 3 323.441 -0.328 20 0 DBADHO CCC[N@H+]1CC[C@H](CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000574823429 381880110 /nfs/dbraw/zinc/88/01/10/381880110.db2.gz LCHCXJMYTLFWIZ-RDBSUJKOSA-N 1 3 323.441 -0.328 20 0 DBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000574292108 381860938 /nfs/dbraw/zinc/86/09/38/381860938.db2.gz MCOCWBYKSIRICD-CRWXNKLISA-N 1 3 323.441 -0.187 20 0 DBADHO COC[C@@]1(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC[NH2+]C1 ZINC000574397078 381862888 /nfs/dbraw/zinc/86/28/88/381862888.db2.gz HBXKYHFHMUTIMV-GDBMZVCRSA-N 1 3 312.458 -0.388 20 0 DBADHO COC[C@]1(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC[NH2+]C1 ZINC000574397084 381863110 /nfs/dbraw/zinc/86/31/10/381863110.db2.gz HBXKYHFHMUTIMV-HOCLYGCPSA-N 1 3 312.458 -0.388 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CCN2C1=O ZINC000574466000 381864763 /nfs/dbraw/zinc/86/47/63/381864763.db2.gz QHOUHEOSCZYCOK-MRTXSQPYSA-N 1 3 306.410 -0.323 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@H]([NH3+])C1 ZINC000575922467 381904602 /nfs/dbraw/zinc/90/46/02/381904602.db2.gz ZPJHYAFJXGNAGN-LBPRGKRZSA-N 1 3 315.443 -0.217 20 0 DBADHO CCN1CCN(CCNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000577387138 381959005 /nfs/dbraw/zinc/95/90/05/381959005.db2.gz ZOJPNZALGFORTA-UHFFFAOYSA-N 1 3 322.457 -0.188 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000577482294 381963384 /nfs/dbraw/zinc/96/33/84/381963384.db2.gz QMHFDAJPSYBQAG-OKILXGFUSA-N 1 3 308.426 -0.393 20 0 DBADHO OC[C@@]1(O)CCCN(CCCC[N@@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000576939874 381941642 /nfs/dbraw/zinc/94/16/42/381941642.db2.gz OFBYDKXMHDEICC-IYBDPMFKSA-N 1 3 316.442 -0.595 20 0 DBADHO OC[C@@]1(O)CCCN(CCCC[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000576939874 381941648 /nfs/dbraw/zinc/94/16/48/381941648.db2.gz OFBYDKXMHDEICC-IYBDPMFKSA-N 1 3 316.442 -0.595 20 0 DBADHO OC[C@@]1(O)CCC[N@@H+](CCCCN2CCC[C@@](O)(CO)C2)C1 ZINC000576939874 381941653 /nfs/dbraw/zinc/94/16/53/381941653.db2.gz OFBYDKXMHDEICC-IYBDPMFKSA-N 1 3 316.442 -0.595 20 0 DBADHO OC[C@@]1(O)CCC[N@H+](CCCCN2CCC[C@@](O)(CO)C2)C1 ZINC000576939874 381941659 /nfs/dbraw/zinc/94/16/59/381941659.db2.gz OFBYDKXMHDEICC-IYBDPMFKSA-N 1 3 316.442 -0.595 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000578347350 382013794 /nfs/dbraw/zinc/01/37/94/382013794.db2.gz AWCYRFLZVKZIHT-MCIONIFRSA-N 1 3 306.410 -0.497 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](N2CCCC2)C1 ZINC000578009398 381983563 /nfs/dbraw/zinc/98/35/63/381983563.db2.gz SBMSGLBBFXHORE-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CCOC[C@@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000178647519 381984324 /nfs/dbraw/zinc/98/43/24/381984324.db2.gz ZVYFDYOXDVGMAL-AWEZNQCLSA-N 1 3 301.431 -0.226 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000579221140 382054125 /nfs/dbraw/zinc/05/41/25/382054125.db2.gz DTOIEWSVLNWAAJ-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NC2C[NH2+]C2)o1 ZINC000578490809 382017329 /nfs/dbraw/zinc/01/73/29/382017329.db2.gz JBAQWNQWSMUJJN-UHFFFAOYSA-N 1 3 308.382 -0.434 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578878376 382037383 /nfs/dbraw/zinc/03/73/83/382037383.db2.gz PZNVZLKUTMJEEI-BARDWOONSA-N 1 3 320.437 -0.251 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1=O ZINC000074252991 382327607 /nfs/dbraw/zinc/32/76/07/382327607.db2.gz GXUFIZDAUVBSGR-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000620972159 382460956 /nfs/dbraw/zinc/46/09/56/382460956.db2.gz XUTGZZABLBFUKN-HOTGVXAUSA-N 1 3 324.469 -0.055 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCN1C ZINC000621838796 382513627 /nfs/dbraw/zinc/51/36/27/382513627.db2.gz JFRSGELUUSPAHT-JXFSHQFZSA-N 1 3 308.426 -0.075 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCC1 ZINC000621840002 382515333 /nfs/dbraw/zinc/51/53/33/382515333.db2.gz BLQLJDSSHNNPBK-WBMJQRKESA-N 1 3 308.426 -0.073 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000621849325 382518451 /nfs/dbraw/zinc/51/84/51/382518451.db2.gz RVCBKZFYPLJGQX-XEZPLFJOSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488696 382633502 /nfs/dbraw/zinc/63/35/02/382633502.db2.gz GNVGEHFJQLMEJY-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627489101 382633541 /nfs/dbraw/zinc/63/35/41/382633541.db2.gz RJCJVHRJCMDHIB-UHFFFAOYSA-N 1 3 314.430 -0.589 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627357572 382617988 /nfs/dbraw/zinc/61/79/88/382617988.db2.gz JOYWYTKBSDJRSK-CYBMUJFWSA-N 1 3 314.430 -0.732 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCOCC[NH2+]C ZINC000627372596 382619952 /nfs/dbraw/zinc/61/99/52/382619952.db2.gz RDYNRHIXSUQWQN-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627428624 382625671 /nfs/dbraw/zinc/62/56/71/382625671.db2.gz KNDYGOYSDCZFGP-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445962 382627784 /nfs/dbraw/zinc/62/77/84/382627784.db2.gz CKNVGJXNOZWRSA-CHWSQXEVSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627445926 382627845 /nfs/dbraw/zinc/62/78/45/382627845.db2.gz BGZOKHSJFKKIFC-OLZOCXBDSA-N 1 3 308.426 -0.060 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)CC1(N(C)C)CCC1 ZINC000627462020 382629067 /nfs/dbraw/zinc/62/90/67/382629067.db2.gz GLUQRUYBBYPIMF-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000627461692 382629182 /nfs/dbraw/zinc/62/91/82/382629182.db2.gz XEWFHIGYWNGYEB-LBPRGKRZSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[NH2+]1 ZINC000627478145 382632049 /nfs/dbraw/zinc/63/20/49/382632049.db2.gz IGQZCODKTLOERM-DGAVXFQQSA-N 1 3 308.426 -0.062 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821067 382651863 /nfs/dbraw/zinc/65/18/63/382651863.db2.gz NXDALDPEZHWAHR-OCCSQVGLSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)CCCS(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000631937262 382655908 /nfs/dbraw/zinc/65/59/08/382655908.db2.gz DNKBIIREFMRWKQ-ZDUSSCGKSA-N 1 3 304.460 -0.753 20 0 DBADHO [NH3+]CC1(NS(=O)(=O)CCCN2CCCC2)CCOCC1 ZINC000631955628 382657195 /nfs/dbraw/zinc/65/71/95/382657195.db2.gz OASXIVRWOZLASJ-UHFFFAOYSA-N 1 3 305.444 -0.100 20 0 DBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000633043243 382680424 /nfs/dbraw/zinc/68/04/24/382680424.db2.gz YWWCQEUOFGQCBH-MNOVXSKESA-N 1 3 308.386 -0.669 20 0 DBADHO C[C@@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633085284 382681346 /nfs/dbraw/zinc/68/13/46/382681346.db2.gz PWIGODKSXPMFLD-UBHSHLNASA-N 1 3 308.426 -0.252 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)CC1 ZINC000633086527 382681450 /nfs/dbraw/zinc/68/14/50/382681450.db2.gz WJAXUWSEKSWPFL-ZIAGYGMSSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633085769 382681486 /nfs/dbraw/zinc/68/14/86/382681486.db2.gz GLZUJJFYHITTNO-MELADBBJSA-N 1 3 324.425 -0.872 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)C[C@H]1C[NH3+] ZINC000633094959 382682067 /nfs/dbraw/zinc/68/20/67/382682067.db2.gz NQUQBWIJSCPGSX-AAVRWANBSA-N 1 3 310.442 -0.162 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1=O ZINC000367365079 220867133 /nfs/dbraw/zinc/86/71/33/220867133.db2.gz KSSLLPXTMUZLTD-CQSZACIVSA-N 1 3 322.453 -0.001 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCCCNCc1cccnc1 ZINC000646615453 391918488 /nfs/dbraw/zinc/91/84/88/391918488.db2.gz NPTNNHIDXFLDGU-CQSZACIVSA-N 1 3 319.409 -0.454 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000236891133 391975596 /nfs/dbraw/zinc/97/55/96/391975596.db2.gz NRNQUMCRCHQGDQ-CABCVRRESA-N 1 3 312.458 -0.103 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000236888223 391975644 /nfs/dbraw/zinc/97/56/44/391975644.db2.gz NRNQUMCRCHQGDQ-LSDHHAIUSA-N 1 3 312.458 -0.103 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCC[N@H+](C)C2)n1 ZINC000553055501 392074973 /nfs/dbraw/zinc/07/49/73/392074973.db2.gz MHWDYIXQFQKFLZ-LBPRGKRZSA-N 1 3 323.445 -0.885 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCC[N@@H+](C)C2)n1 ZINC000553055501 392074974 /nfs/dbraw/zinc/07/49/74/392074974.db2.gz MHWDYIXQFQKFLZ-LBPRGKRZSA-N 1 3 323.445 -0.885 20 0 DBADHO CC[C@@H](C(=O)N[C@H](CO)CNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000649472639 392077973 /nfs/dbraw/zinc/07/79/73/392077973.db2.gz CLOKNOAQKJSQSI-AVGNSLFASA-N 1 3 316.446 -0.740 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000649472639 392077978 /nfs/dbraw/zinc/07/79/78/392077978.db2.gz CLOKNOAQKJSQSI-AVGNSLFASA-N 1 3 316.446 -0.740 20 0 DBADHO CC1(OCC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CNC1 ZINC000649313228 392033477 /nfs/dbraw/zinc/03/34/77/392033477.db2.gz OBITXBWBNOVHJZ-GFCCVEGCSA-N 1 3 312.414 -0.932 20 0 DBADHO CC1(OCC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)CNC1 ZINC000649313228 392033482 /nfs/dbraw/zinc/03/34/82/392033482.db2.gz OBITXBWBNOVHJZ-GFCCVEGCSA-N 1 3 312.414 -0.932 20 0 DBADHO CC1(OCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[NH2+]C1 ZINC000649320302 392034164 /nfs/dbraw/zinc/03/41/64/392034164.db2.gz UBPBKVUYOLOUOL-UHFFFAOYSA-N 1 3 324.425 -0.869 20 0 DBADHO CC1(OCC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)CNC1 ZINC000649313229 392034543 /nfs/dbraw/zinc/03/45/43/392034543.db2.gz OBITXBWBNOVHJZ-LBPRGKRZSA-N 1 3 312.414 -0.932 20 0 DBADHO CC1(OCC(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)CNC1 ZINC000649313229 392034546 /nfs/dbraw/zinc/03/45/46/392034546.db2.gz OBITXBWBNOVHJZ-LBPRGKRZSA-N 1 3 312.414 -0.932 20 0 DBADHO COC1(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[NH2+]CC1 ZINC000649352801 392052908 /nfs/dbraw/zinc/05/29/08/392052908.db2.gz MTYCTSZXLMMWLR-OAHLLOKOSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@H](C(=O)N1CCOCC1)N1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000649412366 392067112 /nfs/dbraw/zinc/06/71/12/392067112.db2.gz DFQURBIQDDSNDG-HZPDHXFCSA-N 1 3 324.469 -0.149 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N[C@H]1CNCCC1(F)F ZINC000647076319 392411605 /nfs/dbraw/zinc/41/16/05/392411605.db2.gz UYQSTTICXIYZEJ-UWVGGRQHSA-N 1 3 304.341 -0.642 20 0 DBADHO C[C@@H](O)CCN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000556795365 392427637 /nfs/dbraw/zinc/42/76/37/392427637.db2.gz ITEJRMNPPFZWDL-CYBMUJFWSA-N 1 3 316.446 -0.833 20 0 DBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000557297302 392434403 /nfs/dbraw/zinc/43/44/03/392434403.db2.gz IZFBIBLGXMJMAN-CYBMUJFWSA-N 1 3 312.414 -0.966 20 0 DBADHO COCC[NH2+]CC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000092509489 392455301 /nfs/dbraw/zinc/45/53/01/392455301.db2.gz KUVYLGQCYYPLJM-CQSZACIVSA-N 1 3 300.447 -0.389 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@H](C)[NH3+] ZINC000647274071 392533741 /nfs/dbraw/zinc/53/37/41/392533741.db2.gz UNJJEOZGRSULPL-VIFPVBQESA-N 1 3 303.432 -0.313 20 0 DBADHO C[N@H+](CCCNC(=O)C(=O)NC1CNC1)Cc1ccccc1 ZINC000561239505 392537839 /nfs/dbraw/zinc/53/78/39/392537839.db2.gz BKCAANRMAGNKFH-UHFFFAOYSA-N 1 3 304.394 -0.287 20 0 DBADHO C[N@@H+](CCCNC(=O)C(=O)NC1CNC1)Cc1ccccc1 ZINC000561239505 392537842 /nfs/dbraw/zinc/53/78/42/392537842.db2.gz BKCAANRMAGNKFH-UHFFFAOYSA-N 1 3 304.394 -0.287 20 0 DBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000647595192 392652699 /nfs/dbraw/zinc/65/26/99/392652699.db2.gz RYMQIRHMUICLJQ-MJVIPROJSA-N 1 3 316.471 -0.218 20 0 DBADHO CC(C)[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000647700540 392815802 /nfs/dbraw/zinc/81/58/02/392815802.db2.gz KWOAHTXAAKYABR-LBPRGKRZSA-N 1 3 314.411 -0.155 20 0 DBADHO C[C@H]1C[C@H](CN2CCN(C(=O)CN3CCOCC3)CC2)CC[NH2+]1 ZINC000414683748 392941159 /nfs/dbraw/zinc/94/11/59/392941159.db2.gz ULYBETUEVXUFEJ-JKSUJKDBSA-N 1 3 324.469 -0.149 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417440003 393045378 /nfs/dbraw/zinc/04/53/78/393045378.db2.gz NHSRNGXRGMJJAM-CQSZACIVSA-N 1 3 302.419 -0.368 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC(C)(C)[NH3+] ZINC000417431064 393045569 /nfs/dbraw/zinc/04/55/69/393045569.db2.gz QKKXIAAQKNKKAN-GFCCVEGCSA-N 1 3 313.446 -0.034 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417430342 393045623 /nfs/dbraw/zinc/04/56/23/393045623.db2.gz PFHIWLNWWVBLQE-STQMWFEESA-N 1 3 313.446 -0.034 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417566800 393060530 /nfs/dbraw/zinc/06/05/30/393060530.db2.gz NCZFJNPZNYWGHE-UONOGXRCSA-N 1 3 313.446 -0.700 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417570847 393061063 /nfs/dbraw/zinc/06/10/63/393061063.db2.gz SGTQZSDBJJBLNQ-ZIAGYGMSSA-N 1 3 314.430 -0.225 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NC[C@]2(COC)CCC[NH2+]2)C1 ZINC000417699752 393065258 /nfs/dbraw/zinc/06/52/58/393065258.db2.gz GAOYIZPATXZBMQ-HIFRSBDPSA-N 1 3 314.430 -0.225 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1cnc2c(c1)CNCC2 ZINC000648106660 393424545 /nfs/dbraw/zinc/42/45/45/393424545.db2.gz KCUHCLOXUWLEGO-AWEZNQCLSA-N 1 3 317.393 -0.076 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362971537 393450296 /nfs/dbraw/zinc/45/02/96/393450296.db2.gz VVKXEOKCJOBNMD-KBPBESRZSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000362971537 393450300 /nfs/dbraw/zinc/45/03/00/393450300.db2.gz VVKXEOKCJOBNMD-KBPBESRZSA-N 1 3 314.430 -0.273 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)COC1C[NH2+]C1 ZINC000430873133 393487250 /nfs/dbraw/zinc/48/72/50/393487250.db2.gz PLIUQDSPSUPYEY-ZDUSSCGKSA-N 1 3 312.414 -0.966 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418874563 393524311 /nfs/dbraw/zinc/52/43/11/393524311.db2.gz JDKHAHMNLBZLFT-AWEZNQCLSA-N 1 3 306.410 -0.389 20 0 DBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418875867 393525662 /nfs/dbraw/zinc/52/56/62/393525662.db2.gz LDEHGAMMIQDZEW-OCCSQVGLSA-N 1 3 306.410 -0.261 20 0 DBADHO C[NH+](C)CC[C@H](NC(=O)C(=O)N(CCN)CCO)C(C)(C)C ZINC000419138052 393550539 /nfs/dbraw/zinc/55/05/39/393550539.db2.gz RXUAMGMGVGNFLR-LBPRGKRZSA-N 1 3 316.446 -0.751 20 0 DBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@H]1NC(C)(C)O[C@@H]1C ZINC000419159093 393547433 /nfs/dbraw/zinc/54/74/33/393547433.db2.gz YSLWXFVKPUHWOC-UTUOFQBUSA-N 1 3 314.430 -0.328 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000419431779 393577331 /nfs/dbraw/zinc/57/73/31/393577331.db2.gz XTFUXINEBINMFD-STQMWFEESA-N 1 3 312.414 -0.837 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000419453834 393580712 /nfs/dbraw/zinc/58/07/12/393580712.db2.gz SJXYLZQWRDSQEH-CHWSQXEVSA-N 1 3 314.430 -0.733 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)N(C)C1CC1 ZINC000419576809 393586227 /nfs/dbraw/zinc/58/62/27/393586227.db2.gz CKKHZBADVQOVBI-BLLLJJGKSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419586199 393590926 /nfs/dbraw/zinc/59/09/26/393590926.db2.gz OBHXSIAQPCYAQS-CYBMUJFWSA-N 1 3 302.444 -0.734 20 0 DBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419883301 393591243 /nfs/dbraw/zinc/59/12/43/393591243.db2.gz MTWSCUZAIGBOHR-GFCCVEGCSA-N 1 3 308.382 -0.352 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000423677843 393610918 /nfs/dbraw/zinc/61/09/18/393610918.db2.gz HVUFZBFDUBBZTB-UHFFFAOYSA-N 1 3 306.410 -0.006 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@@]1(C)C[NH3+] ZINC000423725701 393615728 /nfs/dbraw/zinc/61/57/28/393615728.db2.gz ONHZOOKQTZJJCY-XJKCOSOUSA-N 1 3 310.442 -0.018 20 0 DBADHO COCCN(CCN(C)C)C(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000423734975 393616592 /nfs/dbraw/zinc/61/65/92/393616592.db2.gz BPVBVTQEIQRFBH-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO COCCN(C)CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424139455 393629353 /nfs/dbraw/zinc/62/93/53/393629353.db2.gz AMEIZRAWKUZFSO-LBPRGKRZSA-N 1 3 310.402 -0.489 20 0 DBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000424141139 393629524 /nfs/dbraw/zinc/62/95/24/393629524.db2.gz GVNHHVPMIKRGPG-KGLIPLIRSA-N 1 3 304.394 -0.059 20 0 DBADHO COCC[C@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC[NH2+]C1 ZINC000424234650 393636095 /nfs/dbraw/zinc/63/60/95/393636095.db2.gz KOULKPFMHLCILR-SQWLQELKSA-N 1 3 321.425 -0.311 20 0 DBADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](O)CN(C)C)c1 ZINC000424436470 393639339 /nfs/dbraw/zinc/63/93/39/393639339.db2.gz HJEHEPGVRTZGDP-ZDUSSCGKSA-N 1 3 308.382 -0.569 20 0 DBADHO COC1CCN(CCNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000646181101 393756976 /nfs/dbraw/zinc/75/69/76/393756976.db2.gz WBGMUSOBCWZVMA-ZDUSSCGKSA-N 1 3 312.414 -0.918 20 0 DBADHO CN(C)CCn1cc(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cn1 ZINC000645803421 393710904 /nfs/dbraw/zinc/71/09/04/393710904.db2.gz YXTLHIVSMSCXOO-GFCCVEGCSA-N 1 3 308.386 -0.749 20 0 DBADHO COCCN(C)C[C@@H](O)CN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000572493846 393713268 /nfs/dbraw/zinc/71/32/68/393713268.db2.gz BXOMYCIXOOLYNC-OAHLLOKOSA-N 1 3 317.474 -0.250 20 0 DBADHO C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2CNCCO2)CC1 ZINC000262009576 287085345 /nfs/dbraw/zinc/08/53/45/287085345.db2.gz SVUOGIHJIUSNHD-UKRRQHHQSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)NCC(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000662402590 411635971 /nfs/dbraw/zinc/63/59/71/411635971.db2.gz LCEHGSAJQJZGTQ-UHFFFAOYSA-N 1 3 314.411 -0.140 20 0 DBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653125432 411647978 /nfs/dbraw/zinc/64/79/78/411647978.db2.gz ZKGZPWNJBNFOCN-ZOBUZTSGSA-N 1 3 324.469 -0.388 20 0 DBADHO C[C@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663848949 411686064 /nfs/dbraw/zinc/68/60/64/411686064.db2.gz CMUMHYCCTMJTFT-CYBMUJFWSA-N 1 3 315.462 -0.012 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC[C@@]1(O)CCOC1 ZINC000651280690 411732832 /nfs/dbraw/zinc/73/28/32/411732832.db2.gz IMQUXJABKBABCC-OAHLLOKOSA-N 1 3 316.446 -0.337 20 0 DBADHO NC[C@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C(F)(F)F ZINC000655516319 411792743 /nfs/dbraw/zinc/79/27/43/411792743.db2.gz SQKCQJWPNLUEMO-CBAPKCEASA-N 1 3 306.292 -0.351 20 0 DBADHO NC[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)C(F)(F)F ZINC000655515148 411792762 /nfs/dbraw/zinc/79/27/62/411792762.db2.gz HRLFUMGZZNPDDB-VIFPVBQESA-N 1 3 305.304 -0.032 20 0 DBADHO NC[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(F)(F)F ZINC000655519836 411798588 /nfs/dbraw/zinc/79/85/88/411798588.db2.gz XYTYBRMUCZZIDN-CBAPKCEASA-N 1 3 306.292 -0.178 20 0 DBADHO CC(C)[NH2+]CCCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652621686 411806947 /nfs/dbraw/zinc/80/69/47/411806947.db2.gz RDEVOVIWCAXTGC-UHFFFAOYSA-N 1 3 324.429 -0.113 20 0 DBADHO [NH3+]CC1(CCNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000652687937 411816164 /nfs/dbraw/zinc/81/61/64/411816164.db2.gz QBJAAMFCNPSUPX-CYBMUJFWSA-N 1 3 308.426 -0.168 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000659705133 411865853 /nfs/dbraw/zinc/86/58/53/411865853.db2.gz RUWKHBJQAKRDEO-UYJPIKCFSA-N 1 3 306.410 -0.545 20 0 DBADHO CC[N@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC1 ZINC000659448841 411825021 /nfs/dbraw/zinc/82/50/21/411825021.db2.gz XJOMESPZQVKORJ-UHFFFAOYSA-N 1 3 308.386 -0.076 20 0 DBADHO CC[N@@H+](CCNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C1CC1 ZINC000659448841 411825025 /nfs/dbraw/zinc/82/50/25/411825025.db2.gz XJOMESPZQVKORJ-UHFFFAOYSA-N 1 3 308.386 -0.076 20 0 DBADHO C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2CNCCO2)CCO1 ZINC000659554472 411836253 /nfs/dbraw/zinc/83/62/53/411836253.db2.gz NBNJFLMMLIGWDX-UONOGXRCSA-N 1 3 314.430 -0.273 20 0 DBADHO C[NH+](C)CCOCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654541264 411942191 /nfs/dbraw/zinc/94/21/91/411942191.db2.gz FBUNLTYYGFWKRH-QWHCGFSZSA-N 1 3 300.403 -0.975 20 0 DBADHO COC[C@H]1C[C@@H](O)CN1C/C=C/C[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764062 411917102 /nfs/dbraw/zinc/91/71/02/411917102.db2.gz OVJHXXXSFYTUCN-VVAOZMCXSA-N 1 3 314.426 -0.294 20 0 DBADHO COC[C@H]1C[C@@H](O)CN1C/C=C/C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764062 411917106 /nfs/dbraw/zinc/91/71/06/411917106.db2.gz OVJHXXXSFYTUCN-VVAOZMCXSA-N 1 3 314.426 -0.294 20 0 DBADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654382259 411934465 /nfs/dbraw/zinc/93/44/65/411934465.db2.gz SGLWDXBTOMVLLC-VHDGCEQUSA-N 1 3 308.426 -0.069 20 0 DBADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654382259 411934467 /nfs/dbraw/zinc/93/44/67/411934467.db2.gz SGLWDXBTOMVLLC-VHDGCEQUSA-N 1 3 308.426 -0.069 20 0 DBADHO COCCN1CC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654452848 411938769 /nfs/dbraw/zinc/93/87/69/411938769.db2.gz YSEKROXKMUWMFN-MELADBBJSA-N 1 3 312.414 -0.833 20 0 DBADHO COCCN1CC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654452848 411938771 /nfs/dbraw/zinc/93/87/71/411938771.db2.gz YSEKROXKMUWMFN-MELADBBJSA-N 1 3 312.414 -0.833 20 0 DBADHO O=C(NCCCNCc1cccnc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653044528 411873553 /nfs/dbraw/zinc/87/35/53/411873553.db2.gz LVSGTPCIWMJGBA-HOCLYGCPSA-N 1 3 304.394 -0.087 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000656022329 411987877 /nfs/dbraw/zinc/98/78/77/411987877.db2.gz GJTCRZPGCUMNCY-MJBXVCDLSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C[C@H]1[NH3+] ZINC000656028546 411990184 /nfs/dbraw/zinc/99/01/84/411990184.db2.gz MDLXNJDVBWJWHG-SYQHCUMBSA-N 1 3 308.426 -0.075 20 0 DBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000656696736 412010688 /nfs/dbraw/zinc/01/06/88/412010688.db2.gz LCNDTQDOKJMWBY-INIZCTEOSA-N 1 3 313.442 -0.082 20 0 DBADHO COCCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658541356 412057663 /nfs/dbraw/zinc/05/76/63/412057663.db2.gz FLZHHGBIOWTCLH-UHFFFAOYSA-N 1 3 314.430 -0.957 20 0 DBADHO COCCNCCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659528312 412092437 /nfs/dbraw/zinc/09/24/37/412092437.db2.gz QPRNYCURNYZEIN-AWEZNQCLSA-N 1 3 316.446 -0.025 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000659559658 412093198 /nfs/dbraw/zinc/09/31/98/412093198.db2.gz OIASOVPDCGHDKH-UHFFFAOYSA-N 1 3 313.446 -0.223 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)NCC34CC(C3)C[NH2+]4)C[C@H]2N)cn1 ZINC000659610375 412095075 /nfs/dbraw/zinc/09/50/75/412095075.db2.gz HDPCLEGIYHDVRK-HFAULKRZSA-N 1 3 304.398 -0.392 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH3+])CCCC1 ZINC000659575208 412095401 /nfs/dbraw/zinc/09/54/01/412095401.db2.gz JZCXXABGDGHGBD-UHFFFAOYSA-N 1 3 313.446 -0.081 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1 ZINC000659628912 412096157 /nfs/dbraw/zinc/09/61/57/412096157.db2.gz MJDVIEIGIQTFEC-BONVTDFDSA-N 1 3 320.397 -0.089 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659679921 412104313 /nfs/dbraw/zinc/10/43/13/412104313.db2.gz HJVRFQDIHCQISK-UHFFFAOYSA-N 1 3 324.425 -0.918 20 0 DBADHO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659694722 412106136 /nfs/dbraw/zinc/10/61/36/412106136.db2.gz NFJLJXZBRGWZRV-WKSBVSIWSA-N 1 3 312.389 -0.517 20 0 DBADHO C[C@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659694722 412106139 /nfs/dbraw/zinc/10/61/39/412106139.db2.gz NFJLJXZBRGWZRV-WKSBVSIWSA-N 1 3 312.389 -0.517 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000659702668 412107821 /nfs/dbraw/zinc/10/78/21/412107821.db2.gz VLKBMJMAXOWEMC-ZWNOBZJWSA-N 1 3 302.444 -0.736 20 0 DBADHO C[C@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C1=CCN(C)CC1 ZINC000659702106 412109129 /nfs/dbraw/zinc/10/91/29/412109129.db2.gz MSTKOXPWJCGVIF-FZWSLVFFSA-N 1 3 306.410 -0.297 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659708553 412110452 /nfs/dbraw/zinc/11/04/52/412110452.db2.gz VZKRGJZSSHDALQ-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000659738138 412117571 /nfs/dbraw/zinc/11/75/71/412117571.db2.gz AJUYEHXMCKSDBU-BBRMVZONSA-N 1 3 308.426 -0.201 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000659738141 412117915 /nfs/dbraw/zinc/11/79/15/412117915.db2.gz AJUYEHXMCKSDBU-XJKSGUPXSA-N 1 3 308.426 -0.201 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000659738688 412118239 /nfs/dbraw/zinc/11/82/39/412118239.db2.gz ILRBHAMCPKXFQX-AVGNSLFASA-N 1 3 312.414 -0.839 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000659743204 412119743 /nfs/dbraw/zinc/11/97/43/412119743.db2.gz LDSVGMNEOIBMPV-XOYHFGRZSA-N 1 3 320.437 -0.059 20 0 DBADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1C ZINC000659744386 412121402 /nfs/dbraw/zinc/12/14/02/412121402.db2.gz UIRDOMOVGIZKMC-ZMDMRTEPSA-N 1 3 308.426 -0.204 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000659757874 412122621 /nfs/dbraw/zinc/12/26/21/412122621.db2.gz XAPRJWHXIUMWCM-GFCCVEGCSA-N 1 3 305.382 -0.546 20 0 DBADHO CC(C)N1CCN(CCCN(CC[NH3+])C[C@H](O)CO)CC1 ZINC000662289188 412176300 /nfs/dbraw/zinc/17/63/00/412176300.db2.gz XLRPVBUPWAZEBN-HNNXBMFYSA-N 1 3 302.463 -0.984 20 0 DBADHO CC(C)N1CCN(CCCN(CC[NH3+])C[C@@H](O)CO)CC1 ZINC000662289189 412176374 /nfs/dbraw/zinc/17/63/74/412176374.db2.gz XLRPVBUPWAZEBN-OAHLLOKOSA-N 1 3 302.463 -0.984 20 0 DBADHO C[C@H]1CN(CCCCNC(=O)c2cn(CC[NH3+])nn2)C[C@H](C)O1 ZINC000662687108 412195287 /nfs/dbraw/zinc/19/52/87/412195287.db2.gz FHZNMYDNFKKOKG-STQMWFEESA-N 1 3 324.429 -0.144 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000662836602 412206626 /nfs/dbraw/zinc/20/66/26/412206626.db2.gz BKWGJPZODSDPJY-RDBSUJKOSA-N 1 3 308.426 -0.012 20 0 DBADHO CN(C(=O)C[C@H]1COCCN1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899476 412208885 /nfs/dbraw/zinc/20/88/85/412208885.db2.gz DILBBTGSFGELHP-GOEBONIOSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C(=O)C[C@H]1COCCN1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899476 412208889 /nfs/dbraw/zinc/20/88/89/412208889.db2.gz DILBBTGSFGELHP-GOEBONIOSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662930085 412213082 /nfs/dbraw/zinc/21/30/82/412213082.db2.gz MHFQLOAVDHTJJI-ZDUSSCGKSA-N 1 3 314.430 -0.637 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000662933304 412213652 /nfs/dbraw/zinc/21/36/52/412213652.db2.gz DVJUDPFMMBMSBR-CBCUQQMYSA-N 1 3 320.437 -0.120 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1cn(C)nn1 ZINC000664632647 412258834 /nfs/dbraw/zinc/25/88/34/412258834.db2.gz YVFXZWPKFURNJR-LBPRGKRZSA-N 1 3 311.434 -0.114 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1cn(C)nn1 ZINC000664632647 412258835 /nfs/dbraw/zinc/25/88/35/412258835.db2.gz YVFXZWPKFURNJR-LBPRGKRZSA-N 1 3 311.434 -0.114 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CNC(=O)C1 ZINC000665127886 412271326 /nfs/dbraw/zinc/27/13/26/412271326.db2.gz CYUSWLHAPUBOJN-QWHCGFSZSA-N 1 3 313.446 -0.306 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1CNC(=O)C1 ZINC000665127886 412271327 /nfs/dbraw/zinc/27/13/27/412271327.db2.gz CYUSWLHAPUBOJN-QWHCGFSZSA-N 1 3 313.446 -0.306 20 0 DBADHO CN(C)CCn1ccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)n1 ZINC000527343965 412285783 /nfs/dbraw/zinc/28/57/83/412285783.db2.gz JWPNFDFPOTXNNO-UHFFFAOYSA-N 1 3 324.429 -0.207 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nc2n(n1)CCCC2 ZINC000582404023 412286258 /nfs/dbraw/zinc/28/62/58/412286258.db2.gz DJNXCENWXOCXDL-UHFFFAOYSA-N 1 3 323.445 0.572 20 0 DBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662940477 412216011 /nfs/dbraw/zinc/21/60/11/412216011.db2.gz IELGCIUSRZIVFN-VEAWUBTESA-N 1 3 308.426 -0.264 20 0 DBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662940477 412216014 /nfs/dbraw/zinc/21/60/14/412216014.db2.gz IELGCIUSRZIVFN-VEAWUBTESA-N 1 3 308.426 -0.264 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662945561 412217907 /nfs/dbraw/zinc/21/79/07/412217907.db2.gz FCHXCCOMTZHLIE-MFOWVQHXSA-N 1 3 308.426 -0.123 20 0 DBADHO O=C([C@H]1CC[NH2+]1)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017145 412223475 /nfs/dbraw/zinc/22/34/75/412223475.db2.gz IBWXDIXSAPEXSU-CHWSQXEVSA-N 1 3 318.425 -0.113 20 0 DBADHO CCNC(=O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663472640 412234618 /nfs/dbraw/zinc/23/46/18/412234618.db2.gz AHLVYWMCJNCENO-LBPRGKRZSA-N 1 3 301.435 -0.306 20 0 DBADHO CCNC(=O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663472640 412234620 /nfs/dbraw/zinc/23/46/20/412234620.db2.gz AHLVYWMCJNCENO-LBPRGKRZSA-N 1 3 301.435 -0.306 20 0 DBADHO CN(C)CCn1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)n1 ZINC000354707971 412292476 /nfs/dbraw/zinc/29/24/76/412292476.db2.gz LQSSIZXMYLLOBT-LBPRGKRZSA-N 1 3 322.413 -0.359 20 0 DBADHO CCN1CCN(CCC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000338747109 412410723 /nfs/dbraw/zinc/41/07/23/412410723.db2.gz STCMXPWNIPUVCQ-UHFFFAOYSA-N 1 3 322.457 0.411 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnc(N)n1 ZINC000630880658 412484598 /nfs/dbraw/zinc/48/45/98/412484598.db2.gz UMIJHBBQLVHLLX-ZDUSSCGKSA-N 1 3 323.445 -0.265 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnc(N)n1 ZINC000630880658 412484605 /nfs/dbraw/zinc/48/46/05/412484605.db2.gz UMIJHBBQLVHLLX-ZDUSSCGKSA-N 1 3 323.445 -0.265 20 0 DBADHO COc1nnc(NC(=O)N(CCN(C)C)CC[NH+](C)C)s1 ZINC000549007282 412458176 /nfs/dbraw/zinc/45/81/76/412458176.db2.gz WPZSVAXZVXJVLW-UHFFFAOYSA-N 1 3 316.431 0.504 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000659738627 418959612 /nfs/dbraw/zinc/95/96/12/418959612.db2.gz HGLWIDQYMURYOC-ZDUSSCGKSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000670545875 544420543 /nfs/dbraw/zinc/42/05/43/544420543.db2.gz IHIQXVRSJHAZFF-RISCZKNCSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000665760858 544443379 /nfs/dbraw/zinc/44/33/79/544443379.db2.gz QLKNXHCVCHCDHG-BFHYXJOUSA-N 1 3 316.446 -0.605 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@@H]1CO ZINC000665760858 544443384 /nfs/dbraw/zinc/44/33/84/544443384.db2.gz QLKNXHCVCHCDHG-BFHYXJOUSA-N 1 3 316.446 -0.605 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000669473301 544569111 /nfs/dbraw/zinc/56/91/11/544569111.db2.gz VCOGQDOHMCQBAS-MGPQQGTHSA-N 1 3 314.430 -0.145 20 0 DBADHO CCN1CC[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000670190473 544662646 /nfs/dbraw/zinc/66/26/46/544662646.db2.gz PQCNYEISRJJZAD-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000672307667 544769534 /nfs/dbraw/zinc/76/95/34/544769534.db2.gz IUUWKEFOHDOKRK-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H](C[NH+](C)C)C2)CC1=O ZINC000673671188 544807436 /nfs/dbraw/zinc/80/74/36/544807436.db2.gz WJGCUHQNMHHPJP-KGLIPLIRSA-N 1 3 310.442 -0.193 20 0 DBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000677885824 544899875 /nfs/dbraw/zinc/89/98/75/544899875.db2.gz HNFFUTRDTWBIPW-JKSUJKDBSA-N 1 3 324.469 -0.415 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CCSC1 ZINC000419592833 265799528 /nfs/dbraw/zinc/79/95/28/265799528.db2.gz XIYKFSZUNGTOQK-RISCZKNCSA-N 1 3 314.455 -0.510 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000419673390 265803892 /nfs/dbraw/zinc/80/38/92/265803892.db2.gz HFXQRHOCGZRCBJ-QWHCGFSZSA-N 1 3 314.430 -0.815 20 0 DBADHO C[NH2+]C[C@H](C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000430792836 266012489 /nfs/dbraw/zinc/01/24/89/266012489.db2.gz TTWSWXXPYQOILL-NSHDSACASA-N 1 3 310.402 -0.645 20 0 DBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CNCCO2)C1 ZINC000430890506 266014309 /nfs/dbraw/zinc/01/43/09/266014309.db2.gz RCQLGUDGHSMKBJ-STQMWFEESA-N 1 3 312.414 -0.932 20 0 DBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2CNCCO2)C1 ZINC000430890506 266014311 /nfs/dbraw/zinc/01/43/11/266014311.db2.gz RCQLGUDGHSMKBJ-STQMWFEESA-N 1 3 312.414 -0.932 20 0 DBADHO COCC[NH2+]CC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000430882027 266015153 /nfs/dbraw/zinc/01/51/53/266015153.db2.gz GWIJDGSCPOITDN-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO COCC[C@]1(C(=O)NCCCN2CCN(C)CC2)CC[NH2+]C1 ZINC000431003267 266016881 /nfs/dbraw/zinc/01/68/81/266016881.db2.gz CTAHTSLTRIBXNX-MRXNPFEDSA-N 1 3 312.458 -0.244 20 0 DBADHO CC(C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000434702863 266055436 /nfs/dbraw/zinc/05/54/36/266055436.db2.gz OCWXRZVIAXEINO-QWRGUYRKSA-N 1 3 319.427 -0.734 20 0 DBADHO CNC(=O)NC(=O)CCN1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436055182 266066503 /nfs/dbraw/zinc/06/65/03/266066503.db2.gz RFBBFIWVPLMJAY-LLVKDONJSA-N 1 3 313.402 -0.848 20 0 DBADHO COC[C@@H](C)NC(=O)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443077149 266136684 /nfs/dbraw/zinc/13/66/84/266136684.db2.gz UFAGRIDQITWGSF-NEPJUHHUSA-N 1 3 300.403 -0.092 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492118824 266153561 /nfs/dbraw/zinc/15/35/61/266153561.db2.gz NFDWUDGEKGBEDJ-BRLPQQTGSA-N 1 3 308.426 -0.131 20 0 DBADHO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000493952057 266184069 /nfs/dbraw/zinc/18/40/69/266184069.db2.gz HDIIWDXVWMXREL-GHMZBOCLSA-N 1 3 310.402 -0.517 20 0 DBADHO CCN1CC[C@H]2OCCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000502604326 266260387 /nfs/dbraw/zinc/26/03/87/266260387.db2.gz RKFMCGJLWMOIIU-HRCADAONSA-N 1 3 322.453 -0.302 20 0 DBADHO CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000502604326 266260390 /nfs/dbraw/zinc/26/03/90/266260390.db2.gz RKFMCGJLWMOIIU-HRCADAONSA-N 1 3 322.453 -0.302 20 0 DBADHO CC[N@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000502604326 266260391 /nfs/dbraw/zinc/26/03/91/266260391.db2.gz RKFMCGJLWMOIIU-HRCADAONSA-N 1 3 322.453 -0.302 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)CCN2C1=O ZINC000514614069 266261190 /nfs/dbraw/zinc/26/11/90/266261190.db2.gz AUUGSKMRCZCVOS-KKUMJFAQSA-N 1 3 316.405 -0.283 20 0 DBADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000515351487 266270027 /nfs/dbraw/zinc/27/00/27/266270027.db2.gz XAALCJQSMVGNGW-CABCVRRESA-N 1 3 318.421 -0.130 20 0 DBADHO CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000516786830 266285410 /nfs/dbraw/zinc/28/54/10/266285410.db2.gz GYPKJJVVQRZSOJ-STQMWFEESA-N 1 3 311.430 -0.330 20 0 DBADHO CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C(C)C ZINC000516786830 266285412 /nfs/dbraw/zinc/28/54/12/266285412.db2.gz GYPKJJVVQRZSOJ-STQMWFEESA-N 1 3 311.430 -0.330 20 0 DBADHO C[NH+](C)CCc1ccc(CNC(=O)C(=O)NC2CNC2)cc1 ZINC000518737551 266303875 /nfs/dbraw/zinc/30/38/75/266303875.db2.gz RVFQQVSZJQHDCC-UHFFFAOYSA-N 1 3 304.394 -0.505 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000521070847 266324896 /nfs/dbraw/zinc/32/48/96/266324896.db2.gz NAPYCSKXZBJAJF-BFHYXJOUSA-N 1 3 317.393 -0.360 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C[C@@H]1[NH3+] ZINC000332129191 287852815 /nfs/dbraw/zinc/85/28/15/287852815.db2.gz BMVCJWGPAXYNHX-MCIONIFRSA-N 1 3 308.426 -0.121 20 0 DBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418956762 276107243 /nfs/dbraw/zinc/10/72/43/276107243.db2.gz ZDJFPOIKURLXOX-BFHYXJOUSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CC)C[C@H](C)NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418956765 276332637 /nfs/dbraw/zinc/33/26/37/276332637.db2.gz ZDJFPOIKURLXOX-MJBXVCDLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000362924603 288083887 /nfs/dbraw/zinc/08/38/87/288083887.db2.gz YZFMAOFJOGYVTH-ILXRZTDVSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000362924603 288083888 /nfs/dbraw/zinc/08/38/88/288083888.db2.gz YZFMAOFJOGYVTH-ILXRZTDVSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C1 ZINC000332208135 289290224 /nfs/dbraw/zinc/29/02/24/289290224.db2.gz VDDCPZLVKPOVTM-MGPQQGTHSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000331607538 289309784 /nfs/dbraw/zinc/30/97/84/289309784.db2.gz BTFQTHHPXGHFCY-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000331695970 289311045 /nfs/dbraw/zinc/31/10/45/289311045.db2.gz YTKNBHGNHZWALT-MCIONIFRSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000331695970 289311047 /nfs/dbraw/zinc/31/10/47/289311047.db2.gz YTKNBHGNHZWALT-MCIONIFRSA-N 1 3 308.426 -0.108 20 0 DBADHO NC1(C(=O)Nc2cccc(S(=O)(=O)NCC[NH3+])c2)CCC1 ZINC000570928489 332842833 /nfs/dbraw/zinc/84/28/33/332842833.db2.gz GQWJXZILGWORIM-UHFFFAOYSA-N 1 3 312.395 -0.257 20 0 DBADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCC1 ZINC000570943281 332915024 /nfs/dbraw/zinc/91/50/24/332915024.db2.gz RUXNBLMPDAAGLK-STQMWFEESA-N 1 3 323.441 -0.186 20 0 DBADHO CS(=O)(=O)C1(C(=O)N[C@H](CN)C2CCCC2)CC[NH2+]CC1 ZINC000566071447 331952643 /nfs/dbraw/zinc/95/26/43/331952643.db2.gz NTCKMNWGNZZENP-GFCCVEGCSA-N 1 3 317.455 -0.213 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000569841605 332684549 /nfs/dbraw/zinc/68/45/49/332684549.db2.gz YRBDSEZNQDZXAT-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N1CCN([C@H]2CCN(C(=O)COC3C[NH2+]C3)C2)CC1 ZINC000567817623 333349090 /nfs/dbraw/zinc/34/90/90/333349090.db2.gz ARKQWHOESUUXEX-AWEZNQCLSA-N 1 3 310.442 -0.398 20 0 DBADHO C[NH+](C)CCOc1cc(CNCCC(=O)NC(N)=O)ccn1 ZINC000571432382 333788775 /nfs/dbraw/zinc/78/87/75/333788775.db2.gz CETLEJXULKKLHS-UHFFFAOYSA-N 1 3 309.370 -0.303 20 0 DBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1C[NH2+]C1 ZINC000582477965 337096349 /nfs/dbraw/zinc/09/63/49/337096349.db2.gz DRIIYYKFKKGWDK-CYBMUJFWSA-N 1 3 304.394 -0.637 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000582775369 337145742 /nfs/dbraw/zinc/14/57/42/337145742.db2.gz ZDJWZFIMZXKUKZ-ZIAGYGMSSA-N 1 3 323.441 -0.328 20 0 DBADHO CN(C)[C@@]1(CNC(=O)NCCN2CC[NH2+]CC2)CCSC1 ZINC000572380998 337620432 /nfs/dbraw/zinc/62/04/32/337620432.db2.gz MRXVQBVZPZVTDP-CQSZACIVSA-N 1 3 315.487 -0.372 20 0 DBADHO CO[C@@H](CN)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000566104449 341547751 /nfs/dbraw/zinc/54/77/51/341547751.db2.gz JJHGPLHAVRERTG-HNNXBMFYSA-N 1 3 322.409 -0.117 20 0 DBADHO CC1CC[NH+](C[C@H](O)CNC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000566180058 341549999 /nfs/dbraw/zinc/54/99/99/341549999.db2.gz XLBHMTARKQJTOJ-CABCVRRESA-N 1 3 313.442 -0.036 20 0 DBADHO C[C@H](NC1CC1)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000568624462 341676663 /nfs/dbraw/zinc/67/66/63/341676663.db2.gz KPLKWYDPAXYWEE-NSHDSACASA-N 1 3 322.413 -0.360 20 0 DBADHO CC(C)[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000573564845 341732043 /nfs/dbraw/zinc/73/20/43/341732043.db2.gz KWOAHTXAAKYABR-GFCCVEGCSA-N 1 3 314.411 -0.155 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCC2)C1 ZINC000578009401 341969606 /nfs/dbraw/zinc/96/96/06/341969606.db2.gz SBMSGLBBFXHORE-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000332100249 519688387 /nfs/dbraw/zinc/68/83/87/519688387.db2.gz DUDKMVVIHZMSCQ-KKUMJFAQSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[NH+]1CCC(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000344397312 521578230 /nfs/dbraw/zinc/57/82/30/521578230.db2.gz HNMNMPUVBQTTDU-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000331693989 521627783 /nfs/dbraw/zinc/62/77/83/521627783.db2.gz XXEGRUGWZJYPSB-RBSFLKMASA-N 1 3 322.453 -0.003 20 0 DBADHO CCN1CC[NH+](CCCCNC(=O)[C@@H]2NCCO[C@H]2C)CC1 ZINC000344312543 521678571 /nfs/dbraw/zinc/67/85/71/521678571.db2.gz NQVKIWAZBFGLLP-LSDHHAIUSA-N 1 3 312.458 -0.103 20 0 DBADHO CC[NH+]1CCN(CCCCNC(=O)[C@@H]2NCCO[C@H]2C)CC1 ZINC000344312543 521678574 /nfs/dbraw/zinc/67/85/74/521678574.db2.gz NQVKIWAZBFGLLP-LSDHHAIUSA-N 1 3 312.458 -0.103 20 0 DBADHO CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCCN(C)C1 ZINC000346377877 521766889 /nfs/dbraw/zinc/76/68/89/521766889.db2.gz RATRAKUAEBIYAC-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CN3CCN2CCC3)CCSC1 ZINC000344007682 522111093 /nfs/dbraw/zinc/11/10/93/522111093.db2.gz DKAYZAMXOKRTDI-ZFWWWQNUSA-N 1 3 312.483 -0.070 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000332224052 522390808 /nfs/dbraw/zinc/39/08/08/522390808.db2.gz ZDHMQKTVYVUIDH-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000331699312 523481545 /nfs/dbraw/zinc/48/15/45/523481545.db2.gz ZCSGVTMDVCFKBB-MGPQQGTHSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000331577388 523481987 /nfs/dbraw/zinc/48/19/87/523481987.db2.gz FESYXFOWRNPAKX-BFHYXJOUSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000332188550 523485242 /nfs/dbraw/zinc/48/52/42/523485242.db2.gz XHRUGELUJNRDFR-RDBSUJKOSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000332188550 523485251 /nfs/dbraw/zinc/48/52/51/523485251.db2.gz XHRUGELUJNRDFR-RDBSUJKOSA-N 1 3 324.425 -0.824 20 0 DBADHO COCCN(C)CCCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343770199 523578005 /nfs/dbraw/zinc/57/80/05/523578005.db2.gz MWJHUIIPDLUNFN-AGUYFDCRSA-N 1 3 311.426 -0.114 20 0 DBADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000347076810 523866858 /nfs/dbraw/zinc/86/68/58/523866858.db2.gz VVBLBFOJOBMBTP-OKILXGFUSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN1CC[C@H](NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000347076810 523866870 /nfs/dbraw/zinc/86/68/70/523866870.db2.gz VVBLBFOJOBMBTP-OKILXGFUSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@H+](CCOC)C2)C1 ZINC000347076810 523866873 /nfs/dbraw/zinc/86/68/73/523866873.db2.gz VVBLBFOJOBMBTP-OKILXGFUSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN1CC[C@@H](NC(=O)N[C@H]2CC[N@@H+](CCOC)C2)C1 ZINC000347076810 523866876 /nfs/dbraw/zinc/86/68/76/523866876.db2.gz VVBLBFOJOBMBTP-OKILXGFUSA-N 1 3 314.430 -0.273 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331468456 524222662 /nfs/dbraw/zinc/22/26/62/524222662.db2.gz VPQCJXSOZWKGSM-KFWWJZLASA-N 1 3 322.453 -0.098 20 0 DBADHO C[C@H](C[NH+](C)C)NC(=O)C[C@@H](O)CC(=O)N[C@@H](C)CN(C)C ZINC000346181817 524290555 /nfs/dbraw/zinc/29/05/55/524290555.db2.gz BTWYGQNPLHZXJT-CLLJXQQHSA-N 1 3 316.446 -0.740 20 0 DBADHO C[C@H](CN(C)C)NC(=O)C[C@@H](O)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000346181817 524290569 /nfs/dbraw/zinc/29/05/69/524290569.db2.gz BTWYGQNPLHZXJT-CLLJXQQHSA-N 1 3 316.446 -0.740 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000333612552 524531876 /nfs/dbraw/zinc/53/18/76/524531876.db2.gz SFRODCAOXCUYBI-CABNGKKXSA-N 1 3 306.414 -0.146 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@@H]1N(C)C ZINC000332240526 524740622 /nfs/dbraw/zinc/74/06/22/524740622.db2.gz QFPZOUKSPUNTLC-RFGFWPKPSA-N 1 3 308.426 -0.395 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332606938 524841808 /nfs/dbraw/zinc/84/18/08/524841808.db2.gz DYTGQIAEOOJCNO-BFHYXJOUSA-N 1 3 308.426 -0.121 20 0 DBADHO [NH3+]CC[C@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332590068 527194564 /nfs/dbraw/zinc/19/45/64/527194564.db2.gz ADQNWRDARWCWHH-ZIAGYGMSSA-N 1 3 308.426 -0.120 20 0 DBADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000372231459 535972496 /nfs/dbraw/zinc/97/24/96/535972496.db2.gz BBTCFGHAEFQHDC-GZBFAFLISA-N 1 3 314.430 -0.539 20 0 DBADHO C[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498522 665455708 /nfs/dbraw/zinc/45/57/08/665455708.db2.gz HQCQJUCGIGQWGZ-GYMHETDLSA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001027498522 665455710 /nfs/dbraw/zinc/45/57/10/665455710.db2.gz HQCQJUCGIGQWGZ-GYMHETDLSA-N 1 3 323.437 -0.235 20 0 DBADHO NC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4cncc4c3)[C@@H]2C1 ZINC000978445452 665538723 /nfs/dbraw/zinc/53/87/23/665538723.db2.gz UTGFRIKJNUYLOD-ZSOGYDGISA-N 1 3 313.361 -0.273 20 0 DBADHO NC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn4cncc4c3)[C@@H]2C1 ZINC000978445452 665538725 /nfs/dbraw/zinc/53/87/25/665538725.db2.gz UTGFRIKJNUYLOD-ZSOGYDGISA-N 1 3 313.361 -0.273 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)[C@@H]2C1 ZINC000978681734 665558699 /nfs/dbraw/zinc/55/86/99/665558699.db2.gz VDUQOMVTJFAXOZ-APIJFGDWSA-N 1 3 322.453 -0.114 20 0 DBADHO NC(=O)CN1C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C1 ZINC000980213865 665737980 /nfs/dbraw/zinc/73/79/80/665737980.db2.gz LPECRHWLQKZCKR-MELADBBJSA-N 1 3 320.437 -0.216 20 0 DBADHO NC(=O)CN1C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC000980213866 665738152 /nfs/dbraw/zinc/73/81/52/665738152.db2.gz LPECRHWLQKZCKR-MJBXVCDLSA-N 1 3 320.437 -0.216 20 0 DBADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980391981 665756185 /nfs/dbraw/zinc/75/61/85/665756185.db2.gz URXCUOBSCWMBOG-ZIAGYGMSSA-N 1 3 306.414 -0.238 20 0 DBADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980391981 665756188 /nfs/dbraw/zinc/75/61/88/665756188.db2.gz URXCUOBSCWMBOG-ZIAGYGMSSA-N 1 3 306.414 -0.238 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001020586282 663869645 /nfs/dbraw/zinc/86/96/45/663869645.db2.gz JZBMGOYQMZUIFS-MGPQQGTHSA-N 1 3 323.441 -0.267 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001020586750 663870620 /nfs/dbraw/zinc/87/06/20/663870620.db2.gz YGNNEWFVFJWWEO-CYDGBPFRSA-N 1 3 322.409 -0.487 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001020590400 663871082 /nfs/dbraw/zinc/87/10/82/663871082.db2.gz VJDIJFMJBGHICX-XDQVBPFNSA-N 1 3 308.426 -0.204 20 0 DBADHO O=C(C[NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)N1CCCC1 ZINC000970719378 664040897 /nfs/dbraw/zinc/04/08/97/664040897.db2.gz CRGWNOGWXGTMIE-CQSZACIVSA-N 1 3 308.426 -0.105 20 0 DBADHO CN1CCN(C(=O)CCN2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000934265948 664324308 /nfs/dbraw/zinc/32/43/08/664324308.db2.gz OLXYNCMFPNXIPA-JKSUJKDBSA-N 1 3 324.469 -0.319 20 0 DBADHO CN1CCN(C(=O)CCN2CC[C@@H]3[C@@H]2CCC[N@H+]3CCO)CC1 ZINC000934265948 664324311 /nfs/dbraw/zinc/32/43/11/664324311.db2.gz OLXYNCMFPNXIPA-JKSUJKDBSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001022712733 664339373 /nfs/dbraw/zinc/33/93/73/664339373.db2.gz YGNNEWFVFJWWEO-WUHRBBMRSA-N 1 3 322.409 -0.487 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001022715532 664340257 /nfs/dbraw/zinc/34/02/57/664340257.db2.gz JOWRQPNWAUXCOX-MQYQWHSLSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022719115 664341869 /nfs/dbraw/zinc/34/18/69/664341869.db2.gz HPZVPQVMXYMWCE-NMKXLXIOSA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@@H](NCc2cnnn2C)C1 ZINC001022719115 664341873 /nfs/dbraw/zinc/34/18/73/664341873.db2.gz HPZVPQVMXYMWCE-NMKXLXIOSA-N 1 3 306.414 -0.250 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CC1 ZINC001011159227 664366434 /nfs/dbraw/zinc/36/64/34/664366434.db2.gz QKMQRULHBHZKRD-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)C1CC1 ZINC001011159227 664366438 /nfs/dbraw/zinc/36/64/38/664366438.db2.gz QKMQRULHBHZKRD-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001022973291 664417737 /nfs/dbraw/zinc/41/77/37/664417737.db2.gz GPRFNEVFQWAOCF-RWMBFGLXSA-N 1 3 306.414 -0.106 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001022973291 664417739 /nfs/dbraw/zinc/41/77/39/664417739.db2.gz GPRFNEVFQWAOCF-RWMBFGLXSA-N 1 3 306.414 -0.106 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001023024642 664426302 /nfs/dbraw/zinc/42/63/02/664426302.db2.gz CUVJTSRLWHBJQP-TXEJJXNPSA-N 1 3 320.397 -0.477 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001023025015 664427118 /nfs/dbraw/zinc/42/71/18/664427118.db2.gz RCGVIFUFLWWOLB-TXEJJXNPSA-N 1 3 303.370 -0.211 20 0 DBADHO O=C(NC[C@@H]1CCC[N@@H+](CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001023500695 664832269 /nfs/dbraw/zinc/83/22/69/664832269.db2.gz XRHYNFIOQHFWRC-UJEKJILKSA-N 1 3 323.437 -0.330 20 0 DBADHO O=C(NC[C@@H]1CCC[N@H+](CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001023500695 664832272 /nfs/dbraw/zinc/83/22/72/664832272.db2.gz XRHYNFIOQHFWRC-UJEKJILKSA-N 1 3 323.437 -0.330 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001024179034 664879641 /nfs/dbraw/zinc/87/96/41/664879641.db2.gz IQPPOQHFCSFBRR-YPMHNXCESA-N 1 3 305.382 -0.331 20 0 DBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911027970 674667037 /nfs/dbraw/zinc/66/70/37/674667037.db2.gz GEWHVBGIOTXDFW-AAVRWANBSA-N 1 3 310.442 -0.053 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[C@@]2(C1)CCCC[NH2+]2)C1CC1 ZINC000911053335 674669131 /nfs/dbraw/zinc/66/91/31/674669131.db2.gz OWHLXGWSFFEUHJ-MRXNPFEDSA-N 1 3 308.426 -0.059 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911053494 674669634 /nfs/dbraw/zinc/66/96/34/674669634.db2.gz ABPYTGMKGSLZHS-RDBSUJKOSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(N1CCCC[C@@H]1CN[C@@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001025140427 664981200 /nfs/dbraw/zinc/98/12/00/664981200.db2.gz DSJUCLPCHHXYBD-ZIAGYGMSSA-N 1 3 320.437 -0.059 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000973290703 665019611 /nfs/dbraw/zinc/01/96/11/665019611.db2.gz TZYDAXQLGWIMOS-JHJVBQTASA-N 1 3 319.409 -0.024 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000973290703 665019613 /nfs/dbraw/zinc/01/96/13/665019613.db2.gz TZYDAXQLGWIMOS-JHJVBQTASA-N 1 3 319.409 -0.024 20 0 DBADHO CN1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)[C@H](C[NH3+])C1 ZINC000892790098 665066699 /nfs/dbraw/zinc/06/66/99/665066699.db2.gz XCMNGOKCTLGGDV-JKSUJKDBSA-N 1 3 317.437 -0.015 20 0 DBADHO CCO[C@@H](CNC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C[NH+](C)C ZINC000926848259 665066876 /nfs/dbraw/zinc/06/68/76/665066876.db2.gz SBZNMEWUNOKADT-MJBXVCDLSA-N 1 3 314.430 -0.587 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000936332356 665072660 /nfs/dbraw/zinc/07/26/60/665072660.db2.gz ZKAFABAVPXVIMU-GFCCVEGCSA-N 1 3 317.393 -0.235 20 0 DBADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)[C@@H]1C[NH+]2CCC1CC2 ZINC001025787570 665086145 /nfs/dbraw/zinc/08/61/45/665086145.db2.gz UURTZESKBNZRHA-MRLBHPIUSA-N 1 3 318.421 -0.737 20 0 DBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000911147452 674682746 /nfs/dbraw/zinc/68/27/46/674682746.db2.gz IBXYGFIOBLVKLG-XQQFMLRXSA-N 1 3 324.425 -0.920 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001019774699 665096571 /nfs/dbraw/zinc/09/65/71/665096571.db2.gz DUEKFDWQQTXYIX-ZDUSSCGKSA-N 1 3 322.409 -0.578 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001026043255 665121591 /nfs/dbraw/zinc/12/15/91/665121591.db2.gz HCQZXVIVHRGWID-JHZZJYKESA-N 1 3 320.437 -0.252 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001026043255 665121592 /nfs/dbraw/zinc/12/15/92/665121592.db2.gz HCQZXVIVHRGWID-JHZZJYKESA-N 1 3 320.437 -0.252 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911162993 674685244 /nfs/dbraw/zinc/68/52/44/674685244.db2.gz VKCQADKVAUSPFA-RFQIPJPRSA-N 1 3 308.426 -0.014 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026140291 665126993 /nfs/dbraw/zinc/12/69/93/665126993.db2.gz DIOKJICDSIIRSA-BIGJJFBESA-N 1 3 306.410 -0.737 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026140291 665126994 /nfs/dbraw/zinc/12/69/94/665126994.db2.gz DIOKJICDSIIRSA-BIGJJFBESA-N 1 3 306.410 -0.737 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026140292 665127388 /nfs/dbraw/zinc/12/73/88/665127388.db2.gz DIOKJICDSIIRSA-DKBOKBLXSA-N 1 3 306.410 -0.737 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026140292 665127390 /nfs/dbraw/zinc/12/73/90/665127390.db2.gz DIOKJICDSIIRSA-DKBOKBLXSA-N 1 3 306.410 -0.737 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026140294 665127581 /nfs/dbraw/zinc/12/75/81/665127581.db2.gz DIOKJICDSIIRSA-VVSAWPALSA-N 1 3 306.410 -0.737 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026140294 665127584 /nfs/dbraw/zinc/12/75/84/665127584.db2.gz DIOKJICDSIIRSA-VVSAWPALSA-N 1 3 306.410 -0.737 20 0 DBADHO C[C@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)C1=CCN(C)CC1 ZINC000911219535 674692393 /nfs/dbraw/zinc/69/23/93/674692393.db2.gz OPDXSGNWMISXSL-WCQYABFASA-N 1 3 308.426 -0.133 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CCSC1 ZINC000911200613 674688927 /nfs/dbraw/zinc/68/89/27/674688927.db2.gz RAUZKMFDSWQHBC-JTNHKYCSSA-N 1 3 314.455 -0.607 20 0 DBADHO C[C@@H](NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1=CCN(C)CC1 ZINC000911218089 674691404 /nfs/dbraw/zinc/69/14/04/674691404.db2.gz HSENGKBPNPTGLZ-RUZUBIRVSA-N 1 3 306.410 -0.238 20 0 DBADHO [NH3+]C[C@]12CC[C@@H]1CCN2C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911224326 674695453 /nfs/dbraw/zinc/69/54/53/674695453.db2.gz WXXIUWWQMOFDEV-CKEIUWERSA-N 1 3 320.437 -0.073 20 0 DBADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027215027 665306342 /nfs/dbraw/zinc/30/63/42/665306342.db2.gz BIRMTSDXGGACBG-CHWSQXEVSA-N 1 3 306.414 -0.295 20 0 DBADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027215027 665306347 /nfs/dbraw/zinc/30/63/47/665306347.db2.gz BIRMTSDXGGACBG-CHWSQXEVSA-N 1 3 306.414 -0.295 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000976533477 665367615 /nfs/dbraw/zinc/36/76/15/665367615.db2.gz QUXTUOLOQUWCHN-QMIVOQANSA-N 1 3 320.437 -0.395 20 0 DBADHO 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670967995 /nfs/dbraw/zinc/96/79/95/670967995.db2.gz OFGIQXFTBJYZKZ-HCEZTOJASA-N 1 3 323.437 -0.066 20 0 DBADHO COCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001028698622 670967997 /nfs/dbraw/zinc/96/79/97/670967997.db2.gz OFGIQXFTBJYZKZ-HCEZTOJASA-N 1 3 323.437 -0.066 20 0 DBADHO O=C(NC[C@@H]1CC[N@@H+](CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028699327 670968681 /nfs/dbraw/zinc/96/86/81/670968681.db2.gz XPLZILQTDXCNQE-PGOFDVKTSA-N 1 3 309.410 -0.720 20 0 DBADHO O=C(NC[C@@H]1CC[N@H+](CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001028699327 670968689 /nfs/dbraw/zinc/96/86/89/670968689.db2.gz XPLZILQTDXCNQE-PGOFDVKTSA-N 1 3 309.410 -0.720 20 0 DBADHO CN1CC[C@H](N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028780697 671043217 /nfs/dbraw/zinc/04/32/17/671043217.db2.gz MIOBZMWANDZWHD-ZFWWWQNUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CC[C@@H](N2CC[C@@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028780694 671043694 /nfs/dbraw/zinc/04/36/94/671043694.db2.gz MIOBZMWANDZWHD-DZGCQCFKSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CC[C@@H](N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC001028780696 671043909 /nfs/dbraw/zinc/04/39/09/671043909.db2.gz MIOBZMWANDZWHD-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(NC[C@@H]1CCN([C@H]2CCCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001028933953 671111200 /nfs/dbraw/zinc/11/12/00/671111200.db2.gz VDNNNKODFMBQKF-KBPBESRZSA-N 1 3 320.437 -0.201 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001028985328 671140944 /nfs/dbraw/zinc/14/09/44/671140944.db2.gz KCHOWFAIUDCEQH-KBPBESRZSA-N 1 3 323.441 -0.599 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001028985328 671140952 /nfs/dbraw/zinc/14/09/52/671140952.db2.gz KCHOWFAIUDCEQH-KBPBESRZSA-N 1 3 323.441 -0.599 20 0 DBADHO C[C@H](C(=O)NC[C@H]1CCN1C)[C@H](C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928559714 671325646 /nfs/dbraw/zinc/32/56/46/671325646.db2.gz NDZIVRDVGQZFML-XDQVBPFNSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@H](C(=O)NC[C@H]1CCN1C)[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928559714 671325651 /nfs/dbraw/zinc/32/56/51/671325651.db2.gz NDZIVRDVGQZFML-XDQVBPFNSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C)[C@H](C)C(=O)NC[C@@H]1CCN1C ZINC000928559714 671325652 /nfs/dbraw/zinc/32/56/52/671325652.db2.gz NDZIVRDVGQZFML-XDQVBPFNSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@H](C(=O)NC[C@H]1CC[N@H+]1C)[C@H](C)C(=O)NC[C@@H]1CCN1C ZINC000928559714 671325655 /nfs/dbraw/zinc/32/56/55/671325655.db2.gz NDZIVRDVGQZFML-XDQVBPFNSA-N 1 3 310.442 -0.101 20 0 DBADHO O=C(CN1CCN(CC2CC[NH2+]CC2)CC1)N1CCOCC1 ZINC000262208592 671344075 /nfs/dbraw/zinc/34/40/75/671344075.db2.gz LHVVDWAIUDFFIF-UHFFFAOYSA-N 1 3 310.442 -0.538 20 0 DBADHO CC1(C)CNC(=O)[C@@H]1NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000895315318 671345879 /nfs/dbraw/zinc/34/58/79/671345879.db2.gz DKBILOREYMIWGF-HNNXBMFYSA-N 1 3 324.469 -0.103 20 0 DBADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029439149 671355741 /nfs/dbraw/zinc/35/57/41/671355741.db2.gz XLSMJHHTMIJTTP-QLFBSQMISA-N 1 3 311.426 -0.237 20 0 DBADHO CC(C)N1CCO[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029439149 671355747 /nfs/dbraw/zinc/35/57/47/671355747.db2.gz XLSMJHHTMIJTTP-QLFBSQMISA-N 1 3 311.426 -0.237 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896547707 671405139 /nfs/dbraw/zinc/40/51/39/671405139.db2.gz CJVBJQCKIYOEFV-RBSFLKMASA-N 1 3 312.458 -0.295 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC000896547707 671405145 /nfs/dbraw/zinc/40/51/45/671405145.db2.gz CJVBJQCKIYOEFV-RBSFLKMASA-N 1 3 312.458 -0.295 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@@H]3CCNC3=O)C2)C1 ZINC000984806696 671426986 /nfs/dbraw/zinc/42/69/86/671426986.db2.gz ZWCAGOKWWMKVRQ-XDQVBPFNSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@H+](CCO)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543956 671501282 /nfs/dbraw/zinc/50/12/82/671501282.db2.gz VAYIBNPCRGJNHY-GNHJJJEISA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCO)C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543956 671501285 /nfs/dbraw/zinc/50/12/85/671501285.db2.gz VAYIBNPCRGJNHY-GNHJJJEISA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543957 671501460 /nfs/dbraw/zinc/50/14/60/671501460.db2.gz VAYIBNPCRGJNHY-GULBITTBSA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCO)C1CCN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000985543957 671501464 /nfs/dbraw/zinc/50/14/64/671501464.db2.gz VAYIBNPCRGJNHY-GULBITTBSA-N 1 3 323.437 -0.235 20 0 DBADHO CN(CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)[C@@H]1CCNC1=O ZINC001030013647 671635665 /nfs/dbraw/zinc/63/56/65/671635665.db2.gz NYNRJEZWHBFUGC-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)[C@@H]1CCNC1=O ZINC001030013647 671635670 /nfs/dbraw/zinc/63/56/70/671635670.db2.gz NYNRJEZWHBFUGC-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066594 671643639 /nfs/dbraw/zinc/64/36/39/671643639.db2.gz KRKSTDGCTWPZBW-DGCLKSJQSA-N 1 3 320.397 -0.444 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N2CCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987352635 671678171 /nfs/dbraw/zinc/67/81/71/671678171.db2.gz ALXHDLOCSBOZCY-KBPBESRZSA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@@H]1[C@H](NCc2cnnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360782 671680775 /nfs/dbraw/zinc/68/07/75/671680775.db2.gz XDRHPVBUAFJBCK-TZMCWYRMSA-N 1 3 318.425 -0.010 20 0 DBADHO C[C@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)CN1CCCC1 ZINC000987535338 671697595 /nfs/dbraw/zinc/69/75/95/671697595.db2.gz XSZGAIOCLLZICC-UONOGXRCSA-N 1 3 306.414 -0.047 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000937978295 671856853 /nfs/dbraw/zinc/85/68/53/671856853.db2.gz JWBBRRKNYGVXND-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CCN(C(=O)CN3CCCC3)C2)C1 ZINC000937978295 671856854 /nfs/dbraw/zinc/85/68/54/671856854.db2.gz JWBBRRKNYGVXND-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1C[C@@H](NCC(N)=O)CN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000988854924 671871019 /nfs/dbraw/zinc/87/10/19/671871019.db2.gz LKUHBTPBDDWOGZ-VXGBXAGGSA-N 1 3 322.413 -0.877 20 0 DBADHO C[C@H]1C[C@@H]([NH2+]CCn2cncn2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493880 672555629 /nfs/dbraw/zinc/55/56/29/672555629.db2.gz XCGCDPNRWDCAMZ-WCQYABFASA-N 1 3 303.370 -0.177 20 0 DBADHO C[C@H]1C[C@H](NCC(N)=O)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618608 672570877 /nfs/dbraw/zinc/57/08/77/672570877.db2.gz LJGDWXSOAFQBCC-RYUDHWBXSA-N 1 3 312.414 -0.839 20 0 DBADHO C[C@@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN1CCCC1 ZINC000989798511 672602678 /nfs/dbraw/zinc/60/26/78/672602678.db2.gz AXSAZDMUFLAOQG-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CN1CCCC1 ZINC000989799224 672603536 /nfs/dbraw/zinc/60/35/36/672603536.db2.gz JZJCGUCKSGLOCM-KBPBESRZSA-N 1 3 323.441 -0.314 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N2CCC2)CC1 ZINC000990245871 672696684 /nfs/dbraw/zinc/69/66/84/672696684.db2.gz ZZUJVMHQOKTASR-AWEZNQCLSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC000990276914 672711751 /nfs/dbraw/zinc/71/17/51/672711751.db2.gz KVLDYSQKRKRFQC-OLZOCXBDSA-N 1 3 322.409 -0.534 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000990276909 672711954 /nfs/dbraw/zinc/71/19/54/672711954.db2.gz KUIJLCYUUQWZNX-CQSZACIVSA-N 1 3 306.414 -0.010 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000990275981 672712197 /nfs/dbraw/zinc/71/21/97/672712197.db2.gz GHXKZCZJYGZFMJ-CQSZACIVSA-N 1 3 323.441 -0.314 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000990278300 672713681 /nfs/dbraw/zinc/71/36/81/672713681.db2.gz POTVVVZONHSXEL-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[NH+](CC)CCOCCN1C(=O)N[C@@H](CN(C)C)C1=O ZINC000925333626 677497570 /nfs/dbraw/zinc/49/75/70/677497570.db2.gz VZSVVIBYDCMNEH-LBPRGKRZSA-N 1 3 300.403 -0.173 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NCC2CN(CCCO)C2)n1 ZINC001031678978 677498235 /nfs/dbraw/zinc/49/82/35/677498235.db2.gz AAQGOLHNJSHYQZ-UHFFFAOYSA-N 1 3 309.414 -0.511 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCn1cncn1 ZINC000939211493 677584316 /nfs/dbraw/zinc/58/43/16/677584316.db2.gz SJKWANPIBARAKW-DGCLKSJQSA-N 1 3 303.370 -0.320 20 0 DBADHO C[NH+]1CCC(C(=O)NC2CN(C(=O)CN3CCCC3)C2)CC1 ZINC000994921604 677588599 /nfs/dbraw/zinc/58/85/99/677588599.db2.gz WFYKKGYWTMQFDT-UHFFFAOYSA-N 1 3 308.426 -0.249 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000940528690 677670857 /nfs/dbraw/zinc/67/08/57/677670857.db2.gz PKPNILHVXBYBJN-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000940528690 677670860 /nfs/dbraw/zinc/67/08/60/677670860.db2.gz PKPNILHVXBYBJN-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC(NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC000996471643 678250600 /nfs/dbraw/zinc/25/06/00/678250600.db2.gz GOCNWLHNKRCKSK-ZDUSSCGKSA-N 1 3 320.437 -0.249 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000996996314 678354831 /nfs/dbraw/zinc/35/48/31/678354831.db2.gz XXGXUICQSAADOK-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000996996316 678354986 /nfs/dbraw/zinc/35/49/86/678354986.db2.gz XXGXUICQSAADOK-JSGCOSHPSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000997041362 678362001 /nfs/dbraw/zinc/36/20/01/678362001.db2.gz JHIQLTWIHFQPCM-ZDUSSCGKSA-N 1 3 305.382 -0.189 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+][C@H]2CCC(=O)NC2=O)CC1 ZINC000997043186 678362276 /nfs/dbraw/zinc/36/22/76/678362276.db2.gz VLTZYTHFAAYEAE-LBPRGKRZSA-N 1 3 319.365 -0.662 20 0 DBADHO Cn1nncc1C[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC000997306572 678427892 /nfs/dbraw/zinc/42/78/92/678427892.db2.gz FAXZYISFADUZCO-UHFFFAOYSA-N 1 3 306.414 -0.009 20 0 DBADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCn2cncn2)C1 ZINC000998549103 678613398 /nfs/dbraw/zinc/61/33/98/678613398.db2.gz KHLUZIAQEYDYMX-JXQTWKCFSA-N 1 3 306.414 -0.049 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000998723289 678636488 /nfs/dbraw/zinc/63/64/88/678636488.db2.gz QMPMKCFEJWODIL-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO CNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517592 678675391 /nfs/dbraw/zinc/67/53/91/678675391.db2.gz JFCKKXNKRSNIPH-ZNMIVQPWSA-N 1 3 322.453 -0.003 20 0 DBADHO CNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCN3C)CC[C@@H]2C1 ZINC000946517592 678675393 /nfs/dbraw/zinc/67/53/93/678675393.db2.gz JFCKKXNKRSNIPH-ZNMIVQPWSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC000999363146 678712659 /nfs/dbraw/zinc/71/26/59/678712659.db2.gz GCYANNIDZCUFAN-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CC(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC000999363148 678712921 /nfs/dbraw/zinc/71/29/21/678712921.db2.gz GCYANNIDZCUFAN-JSGCOSHPSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+][C@@H]2CCCNC2=O)C1 ZINC000999834719 678751954 /nfs/dbraw/zinc/75/19/54/678751954.db2.gz VLKBWGIIDBCBER-JXQTWKCFSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000999892993 678756294 /nfs/dbraw/zinc/75/62/94/678756294.db2.gz FQPUSOMCJNRMNV-TZMCWYRMSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN2CCCC2)C1 ZINC000999892993 678756298 /nfs/dbraw/zinc/75/62/98/678756298.db2.gz FQPUSOMCJNRMNV-TZMCWYRMSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)C1 ZINC000999872049 678762912 /nfs/dbraw/zinc/76/29/12/678762912.db2.gz QCJWZLMDSAMOQZ-LRDDRELGSA-N 1 3 322.453 -0.005 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)NCC2=CCN(CCO)CC2)cn1 ZINC001001252739 678922174 /nfs/dbraw/zinc/92/21/74/678922174.db2.gz OGRNBGHYHCHJMS-UHFFFAOYSA-N 1 3 321.425 -0.201 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001001997431 678964981 /nfs/dbraw/zinc/96/49/81/678964981.db2.gz HJIOYBYQYZZVNC-CABCVRRESA-N 1 3 322.453 -0.147 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001001997431 678964984 /nfs/dbraw/zinc/96/49/84/678964984.db2.gz HJIOYBYQYZZVNC-CABCVRRESA-N 1 3 322.453 -0.147 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN3CCCC3)C2)CC[N@@H+]1C ZINC001002245720 678972790 /nfs/dbraw/zinc/97/27/90/678972790.db2.gz IWHLYAUZZFFFNM-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)CN3CCCC3)C2)CC[N@H+]1C ZINC001002245720 678972791 /nfs/dbraw/zinc/97/27/91/678972791.db2.gz IWHLYAUZZFFFNM-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001003332715 679033692 /nfs/dbraw/zinc/03/36/92/679033692.db2.gz CETJUCDVPKPDQJ-UHFFFAOYSA-N 1 3 317.393 -0.377 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000884588069 807059054 /nfs/dbraw/zinc/05/90/54/807059054.db2.gz XOQILZPDPDDBMG-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842203219 805587945 /nfs/dbraw/zinc/58/79/45/805587945.db2.gz TVWKBOTVFJPKPF-MCIONIFRSA-N 1 3 306.410 -0.593 20 0 DBADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848616931 805844405 /nfs/dbraw/zinc/84/44/05/805844405.db2.gz YTYVMDYPVMOZEC-BARDWOONSA-N 1 3 320.437 -0.060 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=S)NCC(=O)N(C)C ZINC000849276192 805861585 /nfs/dbraw/zinc/86/15/85/805861585.db2.gz BGAPAXHOUAWKHU-LBPRGKRZSA-N 1 3 317.503 -0.189 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=S)NCC(=O)N(C)C ZINC000849276192 805861590 /nfs/dbraw/zinc/86/15/90/805861590.db2.gz BGAPAXHOUAWKHU-LBPRGKRZSA-N 1 3 317.503 -0.189 20 0 DBADHO CN(CCC[NH+](C)C)CCNC(=O)c1[nH]nc2c1CNCC2 ZINC000852847032 805981907 /nfs/dbraw/zinc/98/19/07/805981907.db2.gz NGGQKTOESWYZAS-UHFFFAOYSA-N 1 3 308.430 -0.331 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCCC[N@H+](C)CCN1CCNC1=O ZINC001316815220 805991447 /nfs/dbraw/zinc/99/14/47/805991447.db2.gz INLJIRSCMHDYEZ-CYBMUJFWSA-N 1 3 311.430 -0.456 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCCC[N@@H+](C)CCN1CCNC1=O ZINC001316815220 805991455 /nfs/dbraw/zinc/99/14/55/805991455.db2.gz INLJIRSCMHDYEZ-CYBMUJFWSA-N 1 3 311.430 -0.456 20 0 DBADHO O=C(NCCCN(C1CC1)[C@H]1CCNC1=O)C12CC[NH+](CC1)C2 ZINC001316927431 806034661 /nfs/dbraw/zinc/03/46/61/806034661.db2.gz QQDXEXWEILSAPU-AWEZNQCLSA-N 1 3 320.437 -0.059 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1NC(=O)O[C@H]1C ZINC000855346489 806073963 /nfs/dbraw/zinc/07/39/63/806073963.db2.gz DVXXXZRHTSFDEG-SRVKXCTJSA-N 1 3 300.403 -0.129 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1NC(=O)O[C@H]1C ZINC000855346489 806073974 /nfs/dbraw/zinc/07/39/74/806073974.db2.gz DVXXXZRHTSFDEG-SRVKXCTJSA-N 1 3 300.403 -0.129 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000857111904 806110208 /nfs/dbraw/zinc/11/02/08/806110208.db2.gz ZLCQTQVHOIOZSR-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861573531 806275474 /nfs/dbraw/zinc/27/54/74/806275474.db2.gz IHPFLZBLNJDZNE-OLZOCXBDSA-N 1 3 300.403 -0.534 20 0 DBADHO [NH3+]CCCOCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861573561 806275645 /nfs/dbraw/zinc/27/56/45/806275645.db2.gz JBLDPCJCTGUIEO-STQMWFEESA-N 1 3 300.403 -0.486 20 0 DBADHO C[C@@H](CNC(=O)C(=O)NCCOCCC[NH3+])N1CCCCC1 ZINC000861728809 806286044 /nfs/dbraw/zinc/28/60/44/806286044.db2.gz LEQULOJBODUVRW-ZDUSSCGKSA-N 1 3 314.430 -0.541 20 0 DBADHO C[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)N1CCN(C)CC1 ZINC001318757794 806325658 /nfs/dbraw/zinc/32/56/58/806325658.db2.gz WCPNRNSSVBMROX-LSDHHAIUSA-N 1 3 311.474 -0.626 20 0 DBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001319561493 806393035 /nfs/dbraw/zinc/39/30/35/806393035.db2.gz ACIGQPGESDQENE-NEPJUHHUSA-N 1 3 312.414 -0.430 20 0 DBADHO C[C@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@H]1N1CCN(C)CC1 ZINC001319717345 806405098 /nfs/dbraw/zinc/40/50/98/806405098.db2.gz PTGNYZQZFLPMGC-UONOGXRCSA-N 1 3 323.441 -0.504 20 0 DBADHO C[C@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@H]1N1CCN(C)CC1 ZINC001319717345 806405101 /nfs/dbraw/zinc/40/51/01/806405101.db2.gz PTGNYZQZFLPMGC-UONOGXRCSA-N 1 3 323.441 -0.504 20 0 DBADHO C[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC001319717344 806405565 /nfs/dbraw/zinc/40/55/65/806405565.db2.gz PTGNYZQZFLPMGC-KGLIPLIRSA-N 1 3 323.441 -0.504 20 0 DBADHO C[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)CC[C@@H]1N1CCN(C)CC1 ZINC001319717344 806405570 /nfs/dbraw/zinc/40/55/70/806405570.db2.gz PTGNYZQZFLPMGC-KGLIPLIRSA-N 1 3 323.441 -0.504 20 0 DBADHO Cn1nnnc1CCN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000866661866 806447794 /nfs/dbraw/zinc/44/77/94/806447794.db2.gz VEBUAVBCIXOUET-QWHCGFSZSA-N 1 3 321.429 -0.667 20 0 DBADHO CN1CCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1(C)C ZINC000868403872 806552646 /nfs/dbraw/zinc/55/26/46/806552646.db2.gz AIFOJEPKGQVQKB-BETUJISGSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868419230 806554529 /nfs/dbraw/zinc/55/45/29/806554529.db2.gz WJNLDEOSIQIFRX-UONOGXRCSA-N 1 3 308.426 -0.108 20 0 DBADHO NC(C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(F)(F)F ZINC000870998422 806616088 /nfs/dbraw/zinc/61/60/88/806616088.db2.gz XGXBDYHQDKTTPG-KZVJFYERSA-N 1 3 322.287 -0.731 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000872192115 806648762 /nfs/dbraw/zinc/64/87/62/806648762.db2.gz DWAFGQLSXBGNOW-GRDNDAEWSA-N 1 3 322.453 -0.005 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001321977386 806695903 /nfs/dbraw/zinc/69/59/03/806695903.db2.gz BFGBVCYMVGQOGD-GMXVVIOVSA-N 1 3 312.414 -0.528 20 0 DBADHO C[C@@H](C[NH2+]CCN1CCNC1=O)NC(=O)CN1CC[C@H](C)C1 ZINC001321989505 806698512 /nfs/dbraw/zinc/69/85/12/806698512.db2.gz BIPPLTYINYEFQI-STQMWFEESA-N 1 3 311.430 -0.552 20 0 DBADHO CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@@H]1CCCCN1C ZINC001322571648 806755638 /nfs/dbraw/zinc/75/56/38/806755638.db2.gz XCWFUAGZFKMCGP-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H](N)C[NH+](C)C)C[C@@H](C)O1 ZINC000876731744 806802195 /nfs/dbraw/zinc/80/21/95/806802195.db2.gz UIXKICMKQCNZOO-MCIONIFRSA-N 1 3 300.447 -0.119 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876965916 806816780 /nfs/dbraw/zinc/81/67/80/806816780.db2.gz NFFWQWCQUTZYMB-AAEUAGOBSA-N 1 3 302.394 -0.588 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876965919 806816892 /nfs/dbraw/zinc/81/68/92/806816892.db2.gz NFFWQWCQUTZYMB-WCQYABFASA-N 1 3 302.394 -0.588 20 0 DBADHO CCN1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnn(C)n1 ZINC000878589320 806862352 /nfs/dbraw/zinc/86/23/52/806862352.db2.gz JYMVQARUAFTTOR-LBPRGKRZSA-N 1 3 309.418 -0.302 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001324262104 806957615 /nfs/dbraw/zinc/95/76/15/806957615.db2.gz FPTZTEYJPIDWPG-QWHCGFSZSA-N 1 3 324.425 -0.286 20 0 DBADHO C[NH+](C)CCC(=O)NC1(C)CCN(CCOCCO)CC1 ZINC001324332771 806964493 /nfs/dbraw/zinc/96/44/93/806964493.db2.gz BTHAFDFPUBWGLF-UHFFFAOYSA-N 1 3 301.431 -0.082 20 0 DBADHO C[NH+](C)Cc1ccccc1CNS(=O)(=O)N1CCNCC1 ZINC000040862043 803761811 /nfs/dbraw/zinc/76/18/11/803761811.db2.gz RGZJVPAUYNYZSH-UHFFFAOYSA-N 1 3 312.439 -0.012 20 0 DBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCCO ZINC001278165673 803762474 /nfs/dbraw/zinc/76/24/74/803762474.db2.gz YQRZRZFFTUXEJK-ZIAGYGMSSA-N 1 3 301.431 -0.302 20 0 DBADHO [NH3+]CC1(CCNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000652711411 803900634 /nfs/dbraw/zinc/90/06/34/803900634.db2.gz QZLRJYSCBKCOBX-CYBMUJFWSA-N 1 3 308.426 -0.072 20 0 DBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@H](C[NH+](C)C)C1)C2=O ZINC000738221800 803937239 /nfs/dbraw/zinc/93/72/39/803937239.db2.gz COLVIDSKKPXECC-CYBMUJFWSA-N 1 3 323.441 -0.156 20 0 DBADHO C[NH+](C)CCNC(=O)C1CCN(CCN2CCOC2=O)CC1 ZINC000750532573 804062978 /nfs/dbraw/zinc/06/29/78/804062978.db2.gz GWOLODWCRATAOQ-UHFFFAOYSA-N 1 3 312.414 -0.172 20 0 DBADHO CN(C[C@@H](O)C[NH2+]CC[C@@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001284446597 804708886 /nfs/dbraw/zinc/70/88/86/804708886.db2.gz LHWLSURLGWEYQB-KBPBESRZSA-N 1 3 310.398 -0.070 20 0 DBADHO N[C@@H](CC1CC1)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000884431139 807049084 /nfs/dbraw/zinc/04/90/84/807049084.db2.gz LYHHNSLOWPMVJU-MJBXVCDLSA-N 1 3 322.409 -0.103 20 0 DBADHO CN(C)C1CN(C(=O)C(F)(F)C(=O)N2CC([NH+](C)C)C2)C1 ZINC000821230194 805176495 /nfs/dbraw/zinc/17/64/95/805176495.db2.gz MPKNWMVRXDHQER-UHFFFAOYSA-N 1 3 304.341 -0.834 20 0 DBADHO C[C@H](O)CN1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H](C)C1 ZINC000821271817 805178787 /nfs/dbraw/zinc/17/87/87/805178787.db2.gz TWOJACWYEFXSNJ-YDHLFZDLSA-N 1 3 311.426 -0.379 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001293332472 805414212 /nfs/dbraw/zinc/41/42/12/805414212.db2.gz GNBXCEBMTMGRGB-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001293332472 805414215 /nfs/dbraw/zinc/41/42/15/805414215.db2.gz GNBXCEBMTMGRGB-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000884560431 807056384 /nfs/dbraw/zinc/05/63/84/807056384.db2.gz XJUONEDOXDLNKA-NWDGAFQWSA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884578192 807057656 /nfs/dbraw/zinc/05/76/56/807057656.db2.gz VMIPJLVYIGDILC-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN(C(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884623687 807061114 /nfs/dbraw/zinc/06/11/14/807061114.db2.gz LSPRGSPPOXVCOA-GXTWGEPZSA-N 1 3 308.426 -0.037 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884776635 807076257 /nfs/dbraw/zinc/07/62/57/807076257.db2.gz WXNCZCMGNVZVPW-FQUUOJAGSA-N 1 3 306.410 -0.308 20 0 DBADHO O=C(N[C@H]1CCCN2CCCC[C@@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884776638 807076330 /nfs/dbraw/zinc/07/63/30/807076330.db2.gz WXNCZCMGNVZVPW-XUXIUFHCSA-N 1 3 306.410 -0.308 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884787187 807076869 /nfs/dbraw/zinc/07/68/69/807076869.db2.gz JXNICZGWLMUJJB-WOSRLPQWSA-N 1 3 308.426 -0.345 20 0 DBADHO CN1CCN(C[C@@H](O)C[NH2+]CCCN2CCC(O)CC2)CC1 ZINC001326201138 807160070 /nfs/dbraw/zinc/16/00/70/807160070.db2.gz UBXWMADPFYLWIP-INIZCTEOSA-N 1 3 314.474 -0.969 20 0 DBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)C1CC1 ZINC001326860289 807219140 /nfs/dbraw/zinc/21/91/40/807219140.db2.gz DXMPTTZNNABMHD-LRDDRELGSA-N 1 3 308.426 -0.216 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327485646 807290661 /nfs/dbraw/zinc/29/06/61/807290661.db2.gz NIOFCDPPMPFRFY-AWEZNQCLSA-N 1 3 324.425 -0.776 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327513615 807296224 /nfs/dbraw/zinc/29/62/24/807296224.db2.gz BXEGWCBRMHMQCR-DGCLKSJQSA-N 1 3 312.414 -0.933 20 0 DBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@@H](N)CC(F)F)C1 ZINC001328175004 807388721 /nfs/dbraw/zinc/38/87/21/807388721.db2.gz ROOWLOZCBQJPOI-UWVGGRQHSA-N 1 3 306.357 -0.328 20 0 DBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@@H](N)CC(F)F)C1 ZINC001328175004 807388727 /nfs/dbraw/zinc/38/87/27/807388727.db2.gz ROOWLOZCBQJPOI-UWVGGRQHSA-N 1 3 306.357 -0.328 20 0 DBADHO O=C1CNC(=O)N1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509171 807392295 /nfs/dbraw/zinc/39/22/95/807392295.db2.gz CRPQYQFEDRMDPA-OKILXGFUSA-N 1 3 321.425 -0.561 20 0 DBADHO O=C1CNC(=O)N1CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509171 807392303 /nfs/dbraw/zinc/39/23/03/807392303.db2.gz CRPQYQFEDRMDPA-OKILXGFUSA-N 1 3 321.425 -0.561 20 0 DBADHO O=S(=O)([C@H]1CCC[NH2+]C1)N1CCNCCC12CCOCC2 ZINC000903550941 807395114 /nfs/dbraw/zinc/39/51/14/807395114.db2.gz ZXPPMTKYDYCUEY-ZDUSSCGKSA-N 1 3 317.455 -0.087 20 0 DBADHO CN(C)C(=O)[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903757130 807408455 /nfs/dbraw/zinc/40/84/55/807408455.db2.gz YGXIXTBPPOFMEU-KGLIPLIRSA-N 1 3 310.442 -0.493 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@H]1CC[NH3+] ZINC000903767830 807411005 /nfs/dbraw/zinc/41/10/05/807411005.db2.gz PEYPTSYRLIUECD-MCIONIFRSA-N 1 3 310.442 -0.018 20 0 DBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@@H]3O2)C1 ZINC000903778881 807412893 /nfs/dbraw/zinc/41/28/93/807412893.db2.gz RSEYEXRTNCIZGO-HGPDSQILSA-N 1 3 323.393 -0.343 20 0 DBADHO CN1CCN(C(=O)CC[N@@H+]2CCNCCC23CCOCC3)CC1 ZINC000903818948 807415612 /nfs/dbraw/zinc/41/56/12/807415612.db2.gz ZCDMGQBCMKURRG-UHFFFAOYSA-N 1 3 324.469 -0.005 20 0 DBADHO CN1CCN(C(=O)CC[N@H+]2CCNCCC23CCOCC3)CC1 ZINC000903818948 807415615 /nfs/dbraw/zinc/41/56/15/807415615.db2.gz ZCDMGQBCMKURRG-UHFFFAOYSA-N 1 3 324.469 -0.005 20 0 DBADHO CN1CCN(C(=O)CCN2CC[NH2+]CCC23CCOCC3)CC1 ZINC000903818948 807415619 /nfs/dbraw/zinc/41/56/19/807415619.db2.gz ZCDMGQBCMKURRG-UHFFFAOYSA-N 1 3 324.469 -0.005 20 0 DBADHO C[C@@](Cn1cccn1)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(N)=O ZINC000903830068 807416965 /nfs/dbraw/zinc/41/69/65/807416965.db2.gz RTRFSYOHOSZHOM-ZFWWWQNUSA-N 1 3 321.425 -0.125 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905009065 807437946 /nfs/dbraw/zinc/43/79/46/807437946.db2.gz QKIHPHXJLBZKOK-BBRMVZONSA-N 1 3 308.426 -0.120 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)N[C@@H](CO)CN2CCCC2)cn1 ZINC000908203745 807580142 /nfs/dbraw/zinc/58/01/42/807580142.db2.gz NYRDZMKUJAZTQJ-CQSZACIVSA-N 1 3 309.414 -0.369 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000908201947 807580201 /nfs/dbraw/zinc/58/02/01/807580201.db2.gz NNAWHPYFTRWVMT-FMKPAKJESA-N 1 3 311.426 -0.499 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)C1 ZINC000908201947 807580205 /nfs/dbraw/zinc/58/02/05/807580205.db2.gz NNAWHPYFTRWVMT-FMKPAKJESA-N 1 3 311.426 -0.499 20 0 DBADHO CN1CCN(CCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC001329936030 807643609 /nfs/dbraw/zinc/64/36/09/807643609.db2.gz BMSAPUAZQDBLCA-CYBMUJFWSA-N 1 3 320.441 -0.146 20 0 DBADHO CS(=O)(=O)NC[C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923303397 807657087 /nfs/dbraw/zinc/65/70/87/807657087.db2.gz LIWPPNZHPBZOIB-OLZOCXBDSA-N 1 3 317.455 -0.374 20 0 DBADHO CN1CCN(C(=O)CC2CCN([C@H]3C[C@H]([NH3+])C[C@@H]3O)CC2)CC1 ZINC000923323772 807659940 /nfs/dbraw/zinc/65/99/40/807659940.db2.gz MVBZVRQJCHTYGA-JYJNAYRXSA-N 1 3 324.469 -0.287 20 0 DBADHO COC(=O)c1cn([C@@H]2CCN(C[C@@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923377609 807662415 /nfs/dbraw/zinc/66/24/15/807662415.db2.gz VNIMINWIKMMLDH-NEPJUHHUSA-N 1 3 321.381 -0.310 20 0 DBADHO CC(C)OC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413018 807665749 /nfs/dbraw/zinc/66/57/49/807665749.db2.gz CIWGCFHEIVXGHP-DGAVXFQQSA-N 1 3 313.398 -0.361 20 0 DBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCO[C@@H]2CCOC2)C1 ZINC000923414619 807665843 /nfs/dbraw/zinc/66/58/43/807665843.db2.gz MOLNBYLZQWJHPB-YIYPIFLZSA-N 1 3 311.382 -0.341 20 0 DBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC000923414994 807666172 /nfs/dbraw/zinc/66/61/72/807666172.db2.gz OCUDBMFPGIUJDA-RQJABVFESA-N 1 3 321.381 -0.889 20 0 DBADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923412119 807666480 /nfs/dbraw/zinc/66/64/80/807666480.db2.gz PFSACIUWPFSTSS-OLZOCXBDSA-N 1 3 317.455 -0.374 20 0 DBADHO C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CCC[C@@H](C)C1 ZINC000923589574 807682645 /nfs/dbraw/zinc/68/26/45/807682645.db2.gz HLGLKTRAUKETDW-CHWSQXEVSA-N 1 3 304.460 -0.154 20 0 DBADHO [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)N1CCNCC1 ZINC000923635971 807694231 /nfs/dbraw/zinc/69/42/31/807694231.db2.gz KTLYNEFYMKMPSB-UHFFFAOYSA-N 1 3 312.439 -0.013 20 0 DBADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2S(=O)(=O)C2CNC2)C1 ZINC000923651514 807696199 /nfs/dbraw/zinc/69/61/99/807696199.db2.gz GPBSZNOQEIUXJI-WXHSDQCUSA-N 1 3 303.428 -0.351 20 0 DBADHO CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923657687 807698351 /nfs/dbraw/zinc/69/83/51/807698351.db2.gz CLAIHJNULQMFBH-CYBMUJFWSA-N 1 3 316.471 -0.154 20 0 DBADHO [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)N1CCNCC1)CCO2 ZINC000923661493 807698521 /nfs/dbraw/zinc/69/85/21/807698521.db2.gz GFDWNPMXQVRUBK-UHFFFAOYSA-N 1 3 312.395 -0.506 20 0 DBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1C(F)(F)F ZINC000923671214 807700684 /nfs/dbraw/zinc/70/06/84/807700684.db2.gz ONFORNVNEKBSGN-RKDXNWHRSA-N 1 3 316.349 -0.795 20 0 DBADHO [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)N2CCNCC2)C1 ZINC000923675396 807701411 /nfs/dbraw/zinc/70/14/11/807701411.db2.gz WFAFXXMWCHTQBX-LBPRGKRZSA-N 1 3 310.423 -0.226 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(C2CCN(CC[NH+](C)C)CC2)C1=O ZINC000924466313 807716878 /nfs/dbraw/zinc/71/68/78/807716878.db2.gz YFBQSIJACXDXDG-CYBMUJFWSA-N 1 3 311.430 -0.506 20 0 DBADHO C[NH+](C)CCOCCN1C(=O)N[C@@H](CN2CCCCC2)C1=O ZINC000924732233 807721993 /nfs/dbraw/zinc/72/19/93/807721993.db2.gz XMJQSOKOROPFHN-ZDUSSCGKSA-N 1 3 312.414 -0.029 20 0 DBADHO O[C@@H](CN[C@H]1C[NH2+]CCOC1)CN1CCc2ccccc2C1 ZINC000925604503 807745773 /nfs/dbraw/zinc/74/57/73/807745773.db2.gz KNBXTHRQUAOWQL-IRXDYDNUSA-N 1 3 305.422 -0.016 20 0 DBADHO NCc1cn(-c2cccc(CN[C@@H]3C[NH2+]CCOC3)c2)nn1 ZINC000925722819 807746457 /nfs/dbraw/zinc/74/64/57/807746457.db2.gz NIHIFEFDMXQXNG-CQSZACIVSA-N 1 3 302.382 -0.196 20 0 DBADHO COCC[C@H]([NH3+])C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC001330879923 807755660 /nfs/dbraw/zinc/75/56/60/807755660.db2.gz NSZRGMWBUPZGDG-ZDUSSCGKSA-N 1 3 315.414 -0.259 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926327759 807759866 /nfs/dbraw/zinc/75/98/66/807759866.db2.gz IHODVGAUSZGHFU-UONOGXRCSA-N 1 3 308.426 -0.392 20 0 DBADHO CCN1CCC[C@H]1CN(C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926333292 807760906 /nfs/dbraw/zinc/76/09/06/807760906.db2.gz IKEMXKRQKDFTOM-ZNMIVQPWSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC[C@@H]1C[NH3+] ZINC000926358792 807764735 /nfs/dbraw/zinc/76/47/35/807764735.db2.gz FZSKEKLIPDNYQL-QWHCGFSZSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC[C@H]1C[NH3+] ZINC000926383802 807767363 /nfs/dbraw/zinc/76/73/63/807767363.db2.gz WLCWIDPWIOKNNB-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)C1 ZINC001331103127 807770750 /nfs/dbraw/zinc/77/07/50/807770750.db2.gz ITPSTOXNFMRZQL-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCO[C@H](CNC(=O)N1CCO[C@H](CN(C)C)C1)C[NH+](C)C ZINC000926834033 807777942 /nfs/dbraw/zinc/77/79/42/807777942.db2.gz CEYHWWUMQVPHOJ-ZIAGYGMSSA-N 1 3 316.446 -0.075 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC001331235071 807782239 /nfs/dbraw/zinc/78/22/39/807782239.db2.gz WXPMULXFLGBMBG-SNVBAGLBSA-N 1 3 306.357 -0.633 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C1CC1 ZINC001332268358 807892111 /nfs/dbraw/zinc/89/21/11/807892111.db2.gz WKFBTWRQLXQAED-JTQLQIEISA-N 1 3 318.368 -0.442 20 0 DBADHO CN(C)S(=O)(=O)NCCNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001332982266 808003053 /nfs/dbraw/zinc/00/30/53/808003053.db2.gz AZJFXUBCPKIXAX-CYBMUJFWSA-N 1 3 320.459 -0.775 20 0 DBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)C1 ZINC001333407189 808056104 /nfs/dbraw/zinc/05/61/04/808056104.db2.gz UCFFPKNYRRKSMC-RFGFWPKPSA-N 1 3 324.425 -0.648 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC001333542719 808073605 /nfs/dbraw/zinc/07/36/05/808073605.db2.gz LYCOPTOBNRRMHC-KGLIPLIRSA-N 1 3 324.425 -0.791 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC001333542720 808073808 /nfs/dbraw/zinc/07/38/08/808073808.db2.gz LYCOPTOBNRRMHC-UONOGXRCSA-N 1 3 324.425 -0.791 20 0 DBADHO CN1CC[NH+](C2CCN(CC(=O)N3CCNCC3)CC2)CC1 ZINC001335530285 808295358 /nfs/dbraw/zinc/29/53/58/808295358.db2.gz NTDPFROBYHMLEP-UHFFFAOYSA-N 1 3 309.458 -0.870 20 0 DBADHO NCc1nc2c(s1)CCN(C(=O)N1CCNCC[NH2+]CC1)C2 ZINC001335622992 808303752 /nfs/dbraw/zinc/30/37/52/808303752.db2.gz UDGQIZJQXPYDTA-UHFFFAOYSA-N 1 3 324.454 -0.425 20 0 DBADHO CCN1CCN(CCCNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001340111439 808621138 /nfs/dbraw/zinc/62/11/38/808621138.db2.gz CFPSNJJPHATZKM-MRXNPFEDSA-N 1 3 312.458 -0.365 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)[C@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC001340820470 808658014 /nfs/dbraw/zinc/65/80/14/808658014.db2.gz FUAJSNMWXOJXJH-QLFBSQMISA-N 1 3 312.458 -0.104 20 0 DBADHO CCN1CCO[C@@H](C(=O)NCCCCC[NH+]2CCNCC2)C1 ZINC001342598903 808736849 /nfs/dbraw/zinc/73/68/49/808736849.db2.gz YHOXLJQTMKGGQP-OAHLLOKOSA-N 1 3 312.458 -0.101 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000953899382 809121851 /nfs/dbraw/zinc/12/18/51/809121851.db2.gz BEUWSJIDDIHFCF-AWEZNQCLSA-N 1 3 320.437 -0.154 20 0 DBADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954318517 809212924 /nfs/dbraw/zinc/21/29/24/809212924.db2.gz VPQMTMGUOATFBM-GXTWGEPZSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954318517 809212927 /nfs/dbraw/zinc/21/29/27/809212927.db2.gz VPQMTMGUOATFBM-GXTWGEPZSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954318518 809213629 /nfs/dbraw/zinc/21/36/29/809213629.db2.gz VPQMTMGUOATFBM-JSGCOSHPSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954318518 809213635 /nfs/dbraw/zinc/21/36/35/809213635.db2.gz VPQMTMGUOATFBM-JSGCOSHPSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325014 809218476 /nfs/dbraw/zinc/21/84/76/809218476.db2.gz VCPDLQRZZWWYCU-ZFWWWQNUSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325014 809218479 /nfs/dbraw/zinc/21/84/79/809218479.db2.gz VCPDLQRZZWWYCU-ZFWWWQNUSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC000954841048 809301064 /nfs/dbraw/zinc/30/10/64/809301064.db2.gz CUZVFORCYXMHSV-CQSZACIVSA-N 1 3 320.437 -0.154 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000955339979 809394361 /nfs/dbraw/zinc/39/43/61/809394361.db2.gz GZBBHFNJODKUHS-KBPBESRZSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000955339979 809394365 /nfs/dbraw/zinc/39/43/65/809394365.db2.gz GZBBHFNJODKUHS-KBPBESRZSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955443793 809418103 /nfs/dbraw/zinc/41/81/03/809418103.db2.gz ANYSQGJTDFCAMC-FZMZJTMJSA-N 1 3 319.409 -0.181 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955443793 809418105 /nfs/dbraw/zinc/41/81/05/809418105.db2.gz ANYSQGJTDFCAMC-FZMZJTMJSA-N 1 3 319.409 -0.181 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@@H]2O)c1 ZINC000958716664 810010515 /nfs/dbraw/zinc/01/05/15/810010515.db2.gz 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DBADHO O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086151098 825186962 /nfs/dbraw/zinc/18/69/62/825186962.db2.gz NCXMEAUYENSUFO-JDZQBJQSSA-N 1 3 309.410 -0.674 20 0 DBADHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086153249 825187500 /nfs/dbraw/zinc/18/75/00/825187500.db2.gz ZURLZJSKJFOYFW-CZKNBJCBSA-N 1 3 323.437 -0.285 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001114996662 828773169 /nfs/dbraw/zinc/77/31/69/828773169.db2.gz CCNCOJJYJSLBRO-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001114996662 828773177 /nfs/dbraw/zinc/77/31/77/828773177.db2.gz CCNCOJJYJSLBRO-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001114997733 828773772 /nfs/dbraw/zinc/77/37/72/828773772.db2.gz NGVJOKKGQAEBSR-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001114997733 828773773 /nfs/dbraw/zinc/77/37/73/828773773.db2.gz NGVJOKKGQAEBSR-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21 ZINC001115144185 828792972 /nfs/dbraw/zinc/79/29/72/828792972.db2.gz SAFQHGBYJOQHFW-FOLVSLTJSA-N 1 3 313.442 -0.226 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001115160355 828795092 /nfs/dbraw/zinc/79/50/92/828795092.db2.gz TWNICJZPULYUOA-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCN(C)C3=O)C[C@H]21 ZINC001115160355 828795093 /nfs/dbraw/zinc/79/50/93/828795093.db2.gz TWNICJZPULYUOA-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001115161287 828795807 /nfs/dbraw/zinc/79/58/07/828795807.db2.gz CCIQCRCWEGUFRJ-COMQUAJESA-N 1 3 308.426 -0.395 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001115161287 828795811 /nfs/dbraw/zinc/79/58/11/828795811.db2.gz CCIQCRCWEGUFRJ-COMQUAJESA-N 1 3 308.426 -0.395 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001115161556 828795977 /nfs/dbraw/zinc/79/59/77/828795977.db2.gz HTIYYAMEKDEWKB-KNCOVGOOSA-N 1 3 322.453 -0.005 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001115161556 828795981 /nfs/dbraw/zinc/79/59/81/828795981.db2.gz HTIYYAMEKDEWKB-KNCOVGOOSA-N 1 3 322.453 -0.005 20 0 DBADHO O=C(N[C@H]1CCN(CCCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090391428 825673060 /nfs/dbraw/zinc/67/30/60/825673060.db2.gz NVAUNGMTXJTTCJ-KBPBESRZSA-N 1 3 311.426 -0.451 20 0 DBADHO O=C(N[C@@H]1CCN(CCCO)C[C@@H]1O)C12CCC[NH+]1CCC2 ZINC001090391431 825673367 /nfs/dbraw/zinc/67/33/67/825673367.db2.gz NVAUNGMTXJTTCJ-KGLIPLIRSA-N 1 3 311.426 -0.451 20 0 DBADHO COCCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393239 825674384 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CCS(=O)(=O)NC1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001161260980 832995455 /nfs/dbraw/zinc/99/54/55/832995455.db2.gz ZDEWJMSYGDZUNZ-LBPRGKRZSA-N 1 3 320.459 -0.627 20 0 DBADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001161270006 832996431 /nfs/dbraw/zinc/99/64/31/832996431.db2.gz GTGCGBANHMCKIO-KGLIPLIRSA-N 1 3 308.426 -0.012 20 0 DBADHO CC(=O)N[C@@H]1CCCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001161270006 832996449 /nfs/dbraw/zinc/99/64/49/832996449.db2.gz GTGCGBANHMCKIO-KGLIPLIRSA-N 1 3 308.426 -0.012 20 0 DBADHO COc1cnc(O[C@@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])C2)nc1 ZINC001161298465 832999748 /nfs/dbraw/zinc/99/97/48/832999748.db2.gz MNENCFQMPJZMBL-YPMHNXCESA-N 1 3 323.397 -0.079 20 0 DBADHO Cc1ccnc(N2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)n1 ZINC001161298454 832999817 /nfs/dbraw/zinc/99/98/17/832999817.db2.gz MJFRHUQCFMHVHS-CYBMUJFWSA-N 1 3 316.409 -0.757 20 0 DBADHO CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@H](N)C2CC[NH2+]CC2)C1 ZINC001161288907 832997983 /nfs/dbraw/zinc/99/79/83/832997983.db2.gz OJJLBSZIKILRJW-CHWSQXEVSA-N 1 3 311.430 -0.425 20 0 DBADHO CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161288330 832998056 /nfs/dbraw/zinc/99/80/56/832998056.db2.gz GNLXGDSURAUNTF-XJKCOSOUSA-N 1 3 323.441 -0.552 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093134311 826091266 /nfs/dbraw/zinc/09/12/66/826091266.db2.gz ZVYFLQHBIKTQBO-MGPQQGTHSA-N 1 3 322.453 -0.099 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161371563 833008776 /nfs/dbraw/zinc/00/87/76/833008776.db2.gz DIEUKTYRGSUWAO-UONOGXRCSA-N 1 3 306.414 -0.697 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@@H]1CCCNC1=O ZINC001094075046 826194804 /nfs/dbraw/zinc/19/48/04/826194804.db2.gz XJSMBJNNRRRYKP-YRGRVCCFSA-N 1 3 319.409 -0.085 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)Cc1c[nH]cn1)CC2 ZINC001161479612 833022916 /nfs/dbraw/zinc/02/29/16/833022916.db2.gz PUZHKVBNKVAPLB-YWPYICTPSA-N 1 3 321.381 -0.967 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)CC(F)F)CC2 ZINC001161479411 833023552 /nfs/dbraw/zinc/02/35/52/833023552.db2.gz KTHLNRZFGCRMFG-MWODSPESSA-N 1 3 305.325 -0.278 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC[C@H]21 ZINC001161484916 833024616 /nfs/dbraw/zinc/02/46/16/833024616.db2.gz YUCSEUSIQVYTMP-VMUDFCTBSA-N 1 3 320.437 -0.345 20 0 DBADHO CN1C(=O)CC[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC[C@H]21 ZINC001161484918 833024754 /nfs/dbraw/zinc/02/47/54/833024754.db2.gz YUCSEUSIQVYTMP-ZOMKSWQUSA-N 1 3 320.437 -0.345 20 0 DBADHO CN1C(=O)CC[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@H]21 ZINC001161484920 833024838 /nfs/dbraw/zinc/02/48/38/833024838.db2.gz YUUSGXAHVFNYBI-SDDRHHMPSA-N 1 3 314.455 -0.525 20 0 DBADHO CO[C@@H]1CN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C[C@@H]1[NH3+] ZINC001161491588 833025592 /nfs/dbraw/zinc/02/55/92/833025592.db2.gz FYSLBCVAYOKBBK-FIQHERPVSA-N 1 3 300.403 -0.951 20 0 DBADHO COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001161566978 833034561 /nfs/dbraw/zinc/03/45/61/833034561.db2.gz UACDEAAMWCIPHP-NEPJUHHUSA-N 1 3 301.387 -0.377 20 0 DBADHO COC(=O)CC[C@@H]1COCCN1C(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001161565584 833035420 /nfs/dbraw/zinc/03/54/20/833035420.db2.gz IAIMHFVDOZQXLI-OCCSQVGLSA-N 1 3 313.398 -0.506 20 0 DBADHO CN(C)C1(C(=O)N2CCC([NH+](CCO)CCO)CC2)CCC1 ZINC001098392878 826475792 /nfs/dbraw/zinc/47/57/92/826475792.db2.gz ZUAGKUXTTIDJLE-UHFFFAOYSA-N 1 3 313.442 -0.252 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098449971 826485751 /nfs/dbraw/zinc/48/57/51/826485751.db2.gz XNEYTXMAXAQLQY-OAHLLOKOSA-N 1 3 313.442 -0.252 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098449971 826485753 /nfs/dbraw/zinc/48/57/53/826485753.db2.gz XNEYTXMAXAQLQY-OAHLLOKOSA-N 1 3 313.442 -0.252 20 0 DBADHO C[NH+](C)CCCC(=O)NC/C=C/CN[C@H]1CCC(=O)NC1=O ZINC001274318386 833060436 /nfs/dbraw/zinc/06/04/36/833060436.db2.gz OLFPRUCPQZRUIS-PCAWENJQSA-N 1 3 310.398 -0.605 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098572612 826500734 /nfs/dbraw/zinc/50/07/34/826500734.db2.gz QTJXSJBSXFBKBE-UHFFFAOYSA-N 1 3 315.458 -0.006 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098572612 826500737 /nfs/dbraw/zinc/50/07/37/826500737.db2.gz QTJXSJBSXFBKBE-UHFFFAOYSA-N 1 3 315.458 -0.006 20 0 DBADHO C[NH+](C)CCN1C(=O)C[C@]2(CCCN(Cc3nnc[nH]3)C2)C1=O ZINC001274356247 833068450 /nfs/dbraw/zinc/06/84/50/833068450.db2.gz QRTGARYAGHQGTH-HNNXBMFYSA-N 1 3 320.397 -0.293 20 0 DBADHO C[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001099162888 826554513 /nfs/dbraw/zinc/55/45/13/826554513.db2.gz ZNWKOYIUXOVKBW-XEZPLFJOSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CN2CCCC2)C1 ZINC001099162888 826554514 /nfs/dbraw/zinc/55/45/14/826554514.db2.gz ZNWKOYIUXOVKBW-XEZPLFJOSA-N 1 3 308.426 -0.073 20 0 DBADHO C[NH+](C)CCOCC(=O)N[C@H]1CCN(CCCF)C[C@@H]1O ZINC001100077164 826828564 /nfs/dbraw/zinc/82/85/64/826828564.db2.gz YEGHVPGQWRXBIM-STQMWFEESA-N 1 3 305.394 -0.524 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1CC[N@H+](CCCOC)C[C@@H]1O ZINC001100080868 826835198 /nfs/dbraw/zinc/83/51/98/826835198.db2.gz NNHVAVJENPINKA-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001100080868 826835214 /nfs/dbraw/zinc/83/52/14/826835214.db2.gz NNHVAVJENPINKA-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO COCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100132693 826884636 /nfs/dbraw/zinc/88/46/36/826884636.db2.gz XNIDPKCLSQCXFK-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO COCCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@H](O)C1 ZINC001100132693 826884646 /nfs/dbraw/zinc/88/46/46/826884646.db2.gz XNIDPKCLSQCXFK-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO c1cc(C2C[NH2+]C2)nc(NCc2nnn3c2CNCCC3)n1 ZINC001162972256 833125384 /nfs/dbraw/zinc/12/53/84/833125384.db2.gz SVIICVAXBJGQKM-UHFFFAOYSA-N 1 3 300.370 -0.140 20 0 DBADHO COC[C@H](O)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410624 826960150 /nfs/dbraw/zinc/96/01/50/826960150.db2.gz FTJGUEIOEYVDHL-SSDMNJCBSA-N 1 3 313.442 -0.038 20 0 DBADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001100678530 827000456 /nfs/dbraw/zinc/00/04/56/827000456.db2.gz OBLWCCQTOKJLKR-IYXRBSQSSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](C(=O)NCC1CC([NH2+]CCOCCO)C1)N(C)C ZINC001100683705 827001425 /nfs/dbraw/zinc/00/14/25/827001425.db2.gz NXIVJXQIWSWXJU-RUXDESIVSA-N 1 3 301.431 -0.180 20 0 DBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100769377 827018592 /nfs/dbraw/zinc/01/85/92/827018592.db2.gz HJNNLWZHAHNVQW-UHFFFAOYSA-N 1 3 301.431 -0.179 20 0 DBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001101036177 827065141 /nfs/dbraw/zinc/06/51/41/827065141.db2.gz JRHVIAMNPKKMPZ-BPCQOVAHSA-N 1 3 324.425 -0.384 20 0 DBADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047956 827182425 /nfs/dbraw/zinc/18/24/25/827182425.db2.gz ZQOPEJILCSDVBP-KYOSRNDESA-N 1 3 310.442 -0.243 20 0 DBADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314334 827198576 /nfs/dbraw/zinc/19/85/76/827198576.db2.gz BSTDNZKNIFGAFV-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1CN([C@@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319033 827198697 /nfs/dbraw/zinc/19/86/97/827198697.db2.gz WAZVQIGAXPXIJD-JHJVBQTASA-N 1 3 324.425 -0.573 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)CC[N@@H+]1C ZINC001103004857 827258986 /nfs/dbraw/zinc/25/89/86/827258986.db2.gz BRRODQKWKVEIET-AAVRWANBSA-N 1 3 310.442 -0.114 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)CC[N@H+]1C ZINC001103004857 827258994 /nfs/dbraw/zinc/25/89/94/827258994.db2.gz BRRODQKWKVEIET-AAVRWANBSA-N 1 3 310.442 -0.114 20 0 DBADHO C[C@@H]1C[N@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087608 827264916 /nfs/dbraw/zinc/26/49/16/827264916.db2.gz JUMLJFICHPMKNZ-KYOSRNDESA-N 1 3 310.442 -0.114 20 0 DBADHO C[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1CCNC(=O)[C@H](C1CC1)N(C)C ZINC001103087608 827264923 /nfs/dbraw/zinc/26/49/23/827264923.db2.gz JUMLJFICHPMKNZ-KYOSRNDESA-N 1 3 310.442 -0.114 20 0 DBADHO CNC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001103647005 827293758 /nfs/dbraw/zinc/29/37/58/827293758.db2.gz PQLVYBSFFQMOFH-ZIAGYGMSSA-N 1 3 322.453 -0.098 20 0 DBADHO CN(c1ccc2nc([C@@H]3CC[NH2+]C3)nn2c1)S(=O)(=O)CCN ZINC001164300420 833203394 /nfs/dbraw/zinc/20/33/94/833203394.db2.gz PSFLKHWIHWZWIB-SNVBAGLBSA-N 1 3 324.410 -0.469 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1C[NH2+]CCO ZINC001106453560 827656657 /nfs/dbraw/zinc/65/66/57/827656657.db2.gz OJVRINRJMGNUTM-RJZXRHAOSA-N 1 3 323.437 -0.474 20 0 DBADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001106704829 827669959 /nfs/dbraw/zinc/66/99/59/827669959.db2.gz DKRNEQAXUUBAHS-WZRBSPASSA-N 1 3 307.398 -0.100 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@@H]2CCNC2=O)[C@H](C)C1 ZINC001106910869 827685519 /nfs/dbraw/zinc/68/55/19/827685519.db2.gz SQBKIDNKRZTVPE-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001166626669 833276398 /nfs/dbraw/zinc/27/63/98/833276398.db2.gz IXENKFDAJMGRGF-NEPJUHHUSA-N 1 3 310.398 -0.628 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001166627217 833276529 /nfs/dbraw/zinc/27/65/29/833276529.db2.gz SNBPFVICACAMPW-LBPRGKRZSA-N 1 3 320.459 -0.884 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001166644365 833277093 /nfs/dbraw/zinc/27/70/93/833277093.db2.gz APNHWJWUQFSCQY-LSDHHAIUSA-N 1 3 323.441 -0.176 20 0 DBADHO CN(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)CC(C)(C)C ZINC001166744314 833280668 /nfs/dbraw/zinc/28/06/68/833280668.db2.gz PYOZFVNGVLKRLU-UHFFFAOYSA-N 1 3 315.418 -0.745 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001168754843 833327735 /nfs/dbraw/zinc/32/77/35/833327735.db2.gz CMUYPKTVJKQTMA-ZDUSSCGKSA-N 1 3 319.471 -0.141 20 0 DBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168754708 833327792 /nfs/dbraw/zinc/32/77/92/833327792.db2.gz ACSIDCZBVKYDLY-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN(CC)CC ZINC001168754786 833327803 /nfs/dbraw/zinc/32/78/03/833327803.db2.gz BOHHLORDIVNQDI-UHFFFAOYSA-N 1 3 315.418 -0.730 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)N1CCOCC1 ZINC001168754761 833327852 /nfs/dbraw/zinc/32/78/52/833327852.db2.gz BDBDDRJTIDCEGR-UHFFFAOYSA-N 1 3 314.430 -0.717 20 0 DBADHO CC[NH2+]CCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118488095 829091382 /nfs/dbraw/zinc/09/13/82/829091382.db2.gz ZLJPFKFJVRTFLV-CYBMUJFWSA-N 1 3 312.414 -0.918 20 0 DBADHO OC[C@@H]1C[NH2+]C[C@@H]1Nc1cncc(OCCN2CCCC2)n1 ZINC001170778423 833359960 /nfs/dbraw/zinc/35/99/60/833359960.db2.gz UEJANGRTBFVEGD-STQMWFEESA-N 1 3 307.398 -0.057 20 0 DBADHO CN(C)CCOCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001119239902 829240027 /nfs/dbraw/zinc/24/00/27/829240027.db2.gz PLZFFLHYJGCWCZ-FQEVSTJZSA-N 1 3 305.444 -0.819 20 0 DBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC001119295397 829247178 /nfs/dbraw/zinc/24/71/78/829247178.db2.gz CRHACOUWQGGGQS-ZBFHGGJFSA-N 1 3 312.458 -0.103 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@]4(C3)CCCC[NH2+]4)C[C@@H]21 ZINC001119635991 829285789 /nfs/dbraw/zinc/28/57/89/829285789.db2.gz HUPKBQBYNCHWIC-JKIFEVAISA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001120435310 829372357 /nfs/dbraw/zinc/37/23/57/829372357.db2.gz IDANLPQNZZVBJR-MRVWCRGKSA-N 1 3 324.425 -0.920 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(F)CC1 ZINC001120439066 829373423 /nfs/dbraw/zinc/37/34/23/829373423.db2.gz MVKHSOQQUOLLFJ-UHFFFAOYSA-N 1 3 316.421 -0.101 20 0 DBADHO CCN1CCN(CCC[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001120472091 829379163 /nfs/dbraw/zinc/37/91/63/829379163.db2.gz CMVVRBIWWNUPLO-HZPDHXFCSA-N 1 3 315.458 -0.494 20 0 DBADHO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCNCc1cnon1 ZINC001176160429 833401862 /nfs/dbraw/zinc/40/18/62/833401862.db2.gz FCYQCDKSCXJUTF-LBPRGKRZSA-N 1 3 311.386 -0.366 20 0 DBADHO CN1CCN(CCCCNC(=O)[C@@H]2[NH2+]CC23CCOCC3)CC1 ZINC001121904894 829526281 /nfs/dbraw/zinc/52/62/81/829526281.db2.gz FVFDMGVQWQHDDM-HNNXBMFYSA-N 1 3 324.469 -0.101 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986764 833445367 /nfs/dbraw/zinc/44/53/67/833445367.db2.gz VLVDMSGYTZXONR-NSHDSACASA-N 1 3 315.418 -0.733 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124835980 829794102 /nfs/dbraw/zinc/79/41/02/829794102.db2.gz DFPDKXJHCBXMDX-MNOVXSKESA-N 1 3 313.402 -0.979 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001127082759 829982137 /nfs/dbraw/zinc/98/21/37/829982137.db2.gz XVHMVODOAKCMTO-LBPRGKRZSA-N 1 3 320.459 -0.886 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001127082759 829982141 /nfs/dbraw/zinc/98/21/41/829982141.db2.gz XVHMVODOAKCMTO-LBPRGKRZSA-N 1 3 320.459 -0.886 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)NC1CC1 ZINC001127255705 829995992 /nfs/dbraw/zinc/99/59/92/829995992.db2.gz KYJAYTZUHVVRGT-TZMCWYRMSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)NC1CC1 ZINC001127255705 829995999 /nfs/dbraw/zinc/99/59/99/829995999.db2.gz KYJAYTZUHVVRGT-TZMCWYRMSA-N 1 3 308.426 -0.155 20 0 DBADHO COC[C@@H](O)C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322006 830002754 /nfs/dbraw/zinc/00/27/54/830002754.db2.gz JGOWDPPCOICAFG-ZDUSSCGKSA-N 1 3 301.431 -0.036 20 0 DBADHO CC(C)(C(=O)NCC[NH2+]CCOCCO)N1CCCCC1 ZINC001127321870 830002795 /nfs/dbraw/zinc/00/27/95/830002795.db2.gz FQXSSUROSPMWMA-UHFFFAOYSA-N 1 3 301.431 -0.034 20 0 DBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127473616 830013602 /nfs/dbraw/zinc/01/36/02/830013602.db2.gz ANGCLYAIVNRTGC-AWEZNQCLSA-N 1 3 310.442 -0.099 20 0 DBADHO Cn1nccc1CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576452 830018706 /nfs/dbraw/zinc/01/87/06/830018706.db2.gz QLWDWGVRACEFPC-UHFFFAOYSA-N 1 3 319.413 -0.302 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001127643556 830022458 /nfs/dbraw/zinc/02/24/58/830022458.db2.gz AKPJFQJDPANTMB-OUCADQQQSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001127643556 830022461 /nfs/dbraw/zinc/02/24/61/830022461.db2.gz AKPJFQJDPANTMB-OUCADQQQSA-N 1 3 310.442 -0.053 20 0 DBADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780413 830031203 /nfs/dbraw/zinc/03/12/03/830031203.db2.gz YNGLYWBQFANKST-HUUCEWRRSA-N 1 3 321.425 -0.202 20 0 DBADHO Cc1nn(C)cc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780413 830031205 /nfs/dbraw/zinc/03/12/05/830031205.db2.gz YNGLYWBQFANKST-HUUCEWRRSA-N 1 3 321.425 -0.202 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001128534178 830096150 /nfs/dbraw/zinc/09/61/50/830096150.db2.gz XIKMVOFZFLOYOT-LBPRGKRZSA-N 1 3 317.409 -0.603 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001128782740 830130590 /nfs/dbraw/zinc/13/05/90/830130590.db2.gz AXHFHACMZXXZBC-GFCCVEGCSA-N 1 3 320.459 -0.884 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCNCCNS(C)(=O)=O ZINC001128782740 830130591 /nfs/dbraw/zinc/13/05/91/830130591.db2.gz AXHFHACMZXXZBC-GFCCVEGCSA-N 1 3 320.459 -0.884 20 0 DBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001129339611 830173382 /nfs/dbraw/zinc/17/33/82/830173382.db2.gz HUWUDRQIKCKFHJ-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)N2CCC2)C1 ZINC001129339611 830173385 /nfs/dbraw/zinc/17/33/85/830173385.db2.gz HUWUDRQIKCKFHJ-AWEZNQCLSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)CCC1 ZINC001129356669 830176042 /nfs/dbraw/zinc/17/60/42/830176042.db2.gz FMAMOIKAFZOVFN-GFCCVEGCSA-N 1 3 317.455 -0.389 20 0 DBADHO C[C@H](C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C)CS(C)(=O)=O ZINC001129450362 830181407 /nfs/dbraw/zinc/18/14/07/830181407.db2.gz ZLGYHZOVEGMUSO-YPMHNXCESA-N 1 3 319.471 -0.287 20 0 DBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NCC(F)(F)F)C1CC1 ZINC001129437306 830181486 /nfs/dbraw/zinc/18/14/86/830181486.db2.gz YPALWRYZWZALIH-LLVKDONJSA-N 1 3 324.347 -0.289 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)C1CC1 ZINC001129444693 830181782 /nfs/dbraw/zinc/18/17/82/830181782.db2.gz XHXLFIZHCZDLCR-GXTWGEPZSA-N 1 3 306.414 -0.189 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)C1CC1 ZINC001129455315 830181923 /nfs/dbraw/zinc/18/19/23/830181923.db2.gz SCKCXMGSQDTGAW-KGLIPLIRSA-N 1 3 309.414 -0.710 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@@H](C1CC1)N(C)C ZINC001129443691 830182019 /nfs/dbraw/zinc/18/20/19/830182019.db2.gz MGILIBHOBJVZJN-UONOGXRCSA-N 1 3 317.430 -0.944 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC001129444640 830182033 /nfs/dbraw/zinc/18/20/33/830182033.db2.gz WOYZQPIAPDRUMZ-DGCLKSJQSA-N 1 3 317.455 -0.533 20 0 DBADHO CN(CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)C1CCC1 ZINC001129532232 830187053 /nfs/dbraw/zinc/18/70/53/830187053.db2.gz WFJXNSQNDJJZND-CYBMUJFWSA-N 1 3 306.414 -0.045 20 0 DBADHO CN(CC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C1CCC1 ZINC001129531639 830187701 /nfs/dbraw/zinc/18/77/01/830187701.db2.gz CWCHATKLYMPGSI-LBPRGKRZSA-N 1 3 317.455 -0.389 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001129950383 830232667 /nfs/dbraw/zinc/23/26/67/830232667.db2.gz RLDQLFJFLVIQEF-STQMWFEESA-N 1 3 319.471 -0.287 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1)N(C)C ZINC001130009230 830244972 /nfs/dbraw/zinc/24/49/72/830244972.db2.gz DEDORYYQAPCQIM-RDBSUJKOSA-N 1 3 324.429 -0.658 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]([NH2+]CCCF)[C@@H](n2ccnn2)C1 ZINC001130024239 830246825 /nfs/dbraw/zinc/24/68/25/830246825.db2.gz OCGGPBCOVPIMBY-OLZOCXBDSA-N 1 3 321.360 -0.055 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCCO)[C@@H](n2ccnn2)C1 ZINC001130107006 830264189 /nfs/dbraw/zinc/26/41/89/830264189.db2.gz DASMHTULCNQQPC-KGLIPLIRSA-N 1 3 324.429 -0.656 20 0 DBADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)C12CCC[NH+](CCC1)C2 ZINC001130171869 830272050 /nfs/dbraw/zinc/27/20/50/830272050.db2.gz WZFIJSMBPGDIHT-LBPRGKRZSA-N 1 3 322.409 -0.627 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)N(C)C ZINC001130205589 830282818 /nfs/dbraw/zinc/28/28/18/830282818.db2.gz PXRBGMWKNYCQSA-GFCCVEGCSA-N 1 3 322.475 -0.686 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001130427660 830320645 /nfs/dbraw/zinc/32/06/45/830320645.db2.gz QMVPJLDPBJMCNB-UHFFFAOYSA-N 1 3 307.460 -0.143 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001130421756 830320818 /nfs/dbraw/zinc/32/08/18/830320818.db2.gz IMHMRCDOWCNJOK-UHFFFAOYSA-N 1 3 312.414 -0.429 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130695441 830363715 /nfs/dbraw/zinc/36/37/15/830363715.db2.gz SCYLQDRHCJEMQK-DZGCQCFKSA-N 1 3 323.441 -0.362 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001130711392 830367908 /nfs/dbraw/zinc/36/79/08/830367908.db2.gz TVCGDXBNRGXAEL-QWHCGFSZSA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001130711392 830367914 /nfs/dbraw/zinc/36/79/14/830367914.db2.gz TVCGDXBNRGXAEL-QWHCGFSZSA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001130711393 830368438 /nfs/dbraw/zinc/36/84/38/830368438.db2.gz TVCGDXBNRGXAEL-STQMWFEESA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001130711393 830368444 /nfs/dbraw/zinc/36/84/44/830368444.db2.gz TVCGDXBNRGXAEL-STQMWFEESA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CCO)C1 ZINC001131132446 830433910 /nfs/dbraw/zinc/43/39/10/830433910.db2.gz LCFGPLIWIHYVJP-ZIAGYGMSSA-N 1 3 323.441 -0.363 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519480 830478908 /nfs/dbraw/zinc/47/89/08/830478908.db2.gz GPUFRHMNKWGJEI-UGWHAMFMSA-N 1 3 319.409 -0.511 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519480 830478914 /nfs/dbraw/zinc/47/89/14/830478914.db2.gz GPUFRHMNKWGJEI-UGWHAMFMSA-N 1 3 319.409 -0.511 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520270 830479575 /nfs/dbraw/zinc/47/95/75/830479575.db2.gz WMJUCHLDCCOLMD-UYJPIKCFSA-N 1 3 324.425 -0.918 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520270 830479577 /nfs/dbraw/zinc/47/95/77/830479577.db2.gz WMJUCHLDCCOLMD-UYJPIKCFSA-N 1 3 324.425 -0.918 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131519227 830479771 /nfs/dbraw/zinc/47/97/71/830479771.db2.gz ARNGHMMRKQIDBC-UGWHAMFMSA-N 1 3 319.409 -0.511 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)cn1 ZINC001131519227 830479776 /nfs/dbraw/zinc/47/97/76/830479776.db2.gz ARNGHMMRKQIDBC-UGWHAMFMSA-N 1 3 319.409 -0.511 20 0 DBADHO C[NH+](C)CC1(C(=O)NCCNCC(=O)NCC(F)(F)F)CC1 ZINC001132993075 830727114 /nfs/dbraw/zinc/72/71/14/830727114.db2.gz MLGNHEFHDNPWKT-UHFFFAOYSA-N 1 3 324.347 -0.288 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135207 830745852 /nfs/dbraw/zinc/74/58/52/830745852.db2.gz NJRDKEUANDGZCA-RYUDHWBXSA-N 1 3 307.398 -0.228 20 0 DBADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC001133290939 830763252 /nfs/dbraw/zinc/76/32/52/830763252.db2.gz FNJOKVQNMSLKJQ-OLZOCXBDSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C[C@H](C)O1 ZINC001133290781 830763382 /nfs/dbraw/zinc/76/33/82/830763382.db2.gz BQGAMAOFANDRQJ-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NCc2ccco2)CC1 ZINC001133287896 830763409 /nfs/dbraw/zinc/76/34/09/830763409.db2.gz PGRHAZUIZMUHSZ-UHFFFAOYSA-N 1 3 322.409 -0.057 20 0 DBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(=O)NC(C)(C)C ZINC001133291646 830764163 /nfs/dbraw/zinc/76/41/63/830764163.db2.gz UPPJHXFYINMLLK-UHFFFAOYSA-N 1 3 315.418 -0.732 20 0 DBADHO CCOCCCNC(=O)[C@@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133294804 830764254 /nfs/dbraw/zinc/76/42/54/830764254.db2.gz VCARJLYPWANPFZ-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415531 830774391 /nfs/dbraw/zinc/77/43/91/830774391.db2.gz BWQZKZNREXFGNR-CQSZACIVSA-N 1 3 316.446 -0.569 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001133819870 830831065 /nfs/dbraw/zinc/83/10/65/830831065.db2.gz PZXCDZUNZDJGIW-STQMWFEESA-N 1 3 317.455 -0.389 20 0 DBADHO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133824035 830831662 /nfs/dbraw/zinc/83/16/62/830831662.db2.gz WJPQXMPJEVBKGH-GFCCVEGCSA-N 1 3 320.459 -0.884 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001133834053 830834387 /nfs/dbraw/zinc/83/43/87/830834387.db2.gz MTLIGIWKZSQEHF-KGLIPLIRSA-N 1 3 309.414 -0.566 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001133845854 830837705 /nfs/dbraw/zinc/83/77/05/830837705.db2.gz OVMXMJFTCBGBQU-QWHCGFSZSA-N 1 3 317.455 -0.531 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001133849665 830837748 /nfs/dbraw/zinc/83/77/48/830837748.db2.gz BMPGFQHYVWOGAZ-OLZOCXBDSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001133849665 830837758 /nfs/dbraw/zinc/83/77/58/830837758.db2.gz BMPGFQHYVWOGAZ-OLZOCXBDSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001133849780 830838438 /nfs/dbraw/zinc/83/84/38/830838438.db2.gz DHLCCTCJKPVEQY-NHYWBVRUSA-N 1 3 314.405 -0.207 20 0 DBADHO CC(C)(C)[N@H+]1CC[C@@](F)(C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001133849780 830838448 /nfs/dbraw/zinc/83/84/48/830838448.db2.gz DHLCCTCJKPVEQY-NHYWBVRUSA-N 1 3 314.405 -0.207 20 0 DBADHO CN(C)C(=O)CNCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133851170 830838916 /nfs/dbraw/zinc/83/89/16/830838916.db2.gz YECBYZWVIOTUKM-HNNXBMFYSA-N 1 3 316.421 -0.007 20 0 DBADHO CN(C)C(=O)CNCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133851170 830838923 /nfs/dbraw/zinc/83/89/23/830838923.db2.gz YECBYZWVIOTUKM-HNNXBMFYSA-N 1 3 316.421 -0.007 20 0 DBADHO COC[C@H](O)C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133851093 830839009 /nfs/dbraw/zinc/83/90/09/830839009.db2.gz WQMPIADOZZJCPV-DOMZBBRYSA-N 1 3 319.421 -0.088 20 0 DBADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001133849781 830839567 /nfs/dbraw/zinc/83/95/67/830839567.db2.gz DHLCCTCJKPVEQY-XHDPSFHLSA-N 1 3 314.405 -0.207 20 0 DBADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)NCCN[C@H]2CCNC2=O)C1 ZINC001133849781 830839573 /nfs/dbraw/zinc/83/95/73/830839573.db2.gz DHLCCTCJKPVEQY-XHDPSFHLSA-N 1 3 314.405 -0.207 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133866052 830841487 /nfs/dbraw/zinc/84/14/87/830841487.db2.gz GYHZOEQSXBLRPJ-UWVGGRQHSA-N 1 3 324.347 -0.432 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133866052 830841492 /nfs/dbraw/zinc/84/14/92/830841492.db2.gz GYHZOEQSXBLRPJ-UWVGGRQHSA-N 1 3 324.347 -0.432 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133867385 830842873 /nfs/dbraw/zinc/84/28/73/830842873.db2.gz TXINFKQLSDCSKX-QWHCGFSZSA-N 1 3 314.430 -0.957 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133867385 830842878 /nfs/dbraw/zinc/84/28/78/830842878.db2.gz TXINFKQLSDCSKX-QWHCGFSZSA-N 1 3 314.430 -0.957 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001133870939 830846500 /nfs/dbraw/zinc/84/65/00/830846500.db2.gz XPEXWGMSNJJZQK-OCCSQVGLSA-N 1 3 322.409 -0.201 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCc1ccco1 ZINC001133870939 830846513 /nfs/dbraw/zinc/84/65/13/830846513.db2.gz XPEXWGMSNJJZQK-OCCSQVGLSA-N 1 3 322.409 -0.201 20 0 DBADHO C[NH+](C)CCc1ccc(C(=O)NCCN[C@@H]2CCNC2=O)cc1 ZINC001133893287 830850236 /nfs/dbraw/zinc/85/02/36/830850236.db2.gz AQWIOJFWGAAOJD-OAHLLOKOSA-N 1 3 318.421 -0.001 20 0 DBADHO CNC(=O)CNCCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001133894042 830850287 /nfs/dbraw/zinc/85/02/87/830850287.db2.gz UKFQWXUAUXWGAW-UHFFFAOYSA-N 1 3 306.410 -0.144 20 0 DBADHO CN(CC(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O)CC(C)(C)C ZINC001133905464 830852498 /nfs/dbraw/zinc/85/24/98/830852498.db2.gz AVEVUMPAOJDUBG-NSHDSACASA-N 1 3 312.414 -0.525 20 0 DBADHO C[C@H]([NH2+]CCNC(=O)CN(C)CC(C)(C)C)C(=O)NC(N)=O ZINC001133908525 830853103 /nfs/dbraw/zinc/85/31/03/830853103.db2.gz VRWAADCPMCBKPR-JTQLQIEISA-N 1 3 315.418 -0.747 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)COCCOC)N(C)C ZINC001133966256 830867913 /nfs/dbraw/zinc/86/79/13/830867913.db2.gz ZUMNUCZXANZAGD-STQMWFEESA-N 1 3 305.419 -0.944 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001133966055 830867935 /nfs/dbraw/zinc/86/79/35/830867935.db2.gz VSIZKZOZUSEZRK-NEPJUHHUSA-N 1 3 305.444 -0.533 20 0 DBADHO CNC(=O)[C@H](C)NCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020636 830876244 /nfs/dbraw/zinc/87/62/44/830876244.db2.gz DJNNAUKMDOKDIT-STQMWFEESA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@@H](COCC(=O)NCCN[C@@H](C)C(N)=O)[NH+]1CCCC1 ZINC001134021283 830877398 /nfs/dbraw/zinc/87/73/98/830877398.db2.gz XCWDOJVUVCZZLV-RYUDHWBXSA-N 1 3 300.403 -0.933 20 0 DBADHO CCNC(=O)CNCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134058683 830885000 /nfs/dbraw/zinc/88/50/00/830885000.db2.gz YTOFKYHUERJPOB-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623012 833683533 /nfs/dbraw/zinc/68/35/33/833683533.db2.gz BLZRIKZAOBDKAR-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO C[NH+](C)Cc1ccc(C(=O)NCCN[C@H]2CCNC2=O)cc1 ZINC001135341004 831054859 /nfs/dbraw/zinc/05/48/59/831054859.db2.gz NILSMJNAONGFLD-AWEZNQCLSA-N 1 3 304.394 -0.044 20 0 DBADHO CCN(CC)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135705665 831110708 /nfs/dbraw/zinc/11/07/08/831110708.db2.gz HGXJHKLCDGJZPA-QWRGUYRKSA-N 1 3 315.418 -0.604 20 0 DBADHO Cn1cc(CNCCNC(=O)COC2CC[NH+](C)CC2)cn1 ZINC001135958734 831140832 /nfs/dbraw/zinc/14/08/32/831140832.db2.gz DTGQFDSZORIILK-UHFFFAOYSA-N 1 3 309.414 -0.263 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135981047 831144230 /nfs/dbraw/zinc/14/42/30/831144230.db2.gz WWXHKBRXJFCLPE-MNOVXSKESA-N 1 3 315.418 -0.604 20 0 DBADHO CNC(=O)CN1CCCC12CCN(C(=O)CN(C)C(N)=[NH2+])CC2 ZINC001144131344 831246877 /nfs/dbraw/zinc/24/68/77/831246877.db2.gz VYIKSIWKBIKWAM-UHFFFAOYSA-N 1 3 324.429 -0.985 20 0 DBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001184551381 833763120 /nfs/dbraw/zinc/76/31/20/833763120.db2.gz MBEDBEGPCZAQRZ-UKRRQHHQSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001146709783 831292600 /nfs/dbraw/zinc/29/26/00/831292600.db2.gz DMUQIKMUPZOFFY-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCO[C@@H](C)C1 ZINC001146709783 831292606 /nfs/dbraw/zinc/29/26/06/831292606.db2.gz DMUQIKMUPZOFFY-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCCCOC ZINC001146718897 831292620 /nfs/dbraw/zinc/29/26/20/831292620.db2.gz KKHCBJVWSKHBBB-UHFFFAOYSA-N 1 3 302.419 -0.813 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCCCOC ZINC001146718897 831292626 /nfs/dbraw/zinc/29/26/26/831292626.db2.gz KKHCBJVWSKHBBB-UHFFFAOYSA-N 1 3 302.419 -0.813 20 0 DBADHO CNC(=O)[C@H](C)NCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147339615 831363250 /nfs/dbraw/zinc/36/32/50/831363250.db2.gz JLJIXGDGIMQWPC-LBPRGKRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877548 831414429 /nfs/dbraw/zinc/41/44/29/831414429.db2.gz LHMFGVUSDNAUTL-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877548 831414431 /nfs/dbraw/zinc/41/44/31/831414431.db2.gz LHMFGVUSDNAUTL-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO CCC(CC)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147892960 831416004 /nfs/dbraw/zinc/41/60/04/831416004.db2.gz MGQLDDLZVCXNQB-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO CC(C)(C)CNC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977335 831420629 /nfs/dbraw/zinc/42/06/29/831420629.db2.gz ORUUURBMDTWLCI-UHFFFAOYSA-N 1 3 310.442 -0.050 20 0 DBADHO C[NH+](C)CCC(=O)N1CC2(C1)CCN(CCN1CCNC1=O)C2 ZINC001148217626 831438336 /nfs/dbraw/zinc/43/83/36/831438336.db2.gz YIDVVYHGBBAGPA-UHFFFAOYSA-N 1 3 323.441 -0.502 20 0 DBADHO O=C(NCC[NH2+]CCO)C1CCN(Cc2ccccn2)CC1 ZINC001177212563 833460468 /nfs/dbraw/zinc/46/04/68/833460468.db2.gz AYYXJQDIGLMXEI-UHFFFAOYSA-N 1 3 306.410 -0.008 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001148654989 831468567 /nfs/dbraw/zinc/46/85/67/831468567.db2.gz DKMSTMCFADODHZ-LBPRGKRZSA-N 1 3 307.460 -0.285 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001148655785 831468961 /nfs/dbraw/zinc/46/89/61/831468961.db2.gz RPXHNXSKNDOYLG-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001149135339 831498770 /nfs/dbraw/zinc/49/87/70/831498770.db2.gz WQLLRGHQBRTRCK-UHFFFAOYSA-N 1 3 307.398 -0.021 20 0 DBADHO CN(C)[C@H](C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1)C1CC1 ZINC001149842508 831573135 /nfs/dbraw/zinc/57/31/35/831573135.db2.gz VTQKLWNQVMTUEH-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)[C@H](C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1)C1CC1 ZINC001149842508 831573139 /nfs/dbraw/zinc/57/31/39/831573139.db2.gz VTQKLWNQVMTUEH-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H](O)CN1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193475 831597374 /nfs/dbraw/zinc/59/73/74/831597374.db2.gz OJNOHNYZSUFWIU-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](O)CN1CCCO[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193474 831597520 /nfs/dbraw/zinc/59/75/20/831597520.db2.gz OJNOHNYZSUFWIU-KBPBESRZSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@H]1CN(CCO)CCCO1)[NH+](C)C ZINC001150291864 831605636 /nfs/dbraw/zinc/60/56/36/831605636.db2.gz PHGPIKDTSCQHTC-ZIAGYGMSSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001150326388 831607452 /nfs/dbraw/zinc/60/74/52/831607452.db2.gz XVJISPHUKYLOQU-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001150326388 831607453 /nfs/dbraw/zinc/60/74/53/831607453.db2.gz XVJISPHUKYLOQU-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO C[NH+]1CCC(CC(=O)NC[C@@H]2CN(CCO)CCCO2)CC1 ZINC001150416319 831614753 /nfs/dbraw/zinc/61/47/53/831614753.db2.gz BCXAKIVIQQVYLA-OAHLLOKOSA-N 1 3 313.442 -0.082 20 0 DBADHO COCCN1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150586800 831630694 /nfs/dbraw/zinc/63/06/94/831630694.db2.gz AFZMWIKHBVGUKS-CQSZACIVSA-N 1 3 317.430 -0.582 20 0 DBADHO C[C@H](O)CN1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590114 831632064 /nfs/dbraw/zinc/63/20/64/831632064.db2.gz ZACXOTJMCPJCKV-KBPBESRZSA-N 1 3 317.430 -0.848 20 0 DBADHO C[NH+](C)CCCCC(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001150606570 831634310 /nfs/dbraw/zinc/63/43/10/831634310.db2.gz GSVOAGYPSMUOOO-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO C[NH+](C)CCCCC(=O)NC[C@@H]1CN(CCO)CCCO1 ZINC001150606571 831634420 /nfs/dbraw/zinc/63/44/20/831634420.db2.gz GSVOAGYPSMUOOO-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCc2ccc(C(N)=O)cc2)C1 ZINC001151043350 831659776 /nfs/dbraw/zinc/65/97/76/831659776.db2.gz DNSVEBSSYSFGFY-AWEZNQCLSA-N 1 3 304.394 -0.057 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCNCc2ccc(C(N)=O)cc2)C1 ZINC001151043350 831659779 /nfs/dbraw/zinc/65/97/79/831659779.db2.gz DNSVEBSSYSFGFY-AWEZNQCLSA-N 1 3 304.394 -0.057 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001151043330 831659801 /nfs/dbraw/zinc/65/98/01/831659801.db2.gz CPPDOYLWHCDEIY-SECBINFHSA-N 1 3 310.320 -0.678 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001151043330 831659805 /nfs/dbraw/zinc/65/98/05/831659805.db2.gz CPPDOYLWHCDEIY-SECBINFHSA-N 1 3 310.320 -0.678 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NCc1ccco1 ZINC001151073663 831662063 /nfs/dbraw/zinc/66/20/63/831662063.db2.gz OLTXOKOBGOSUSC-OLZOCXBDSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NCc1ccco1 ZINC001151073663 831662064 /nfs/dbraw/zinc/66/20/64/831662064.db2.gz OLTXOKOBGOSUSC-OLZOCXBDSA-N 1 3 322.409 -0.058 20 0 DBADHO O=C(CC[NH+]1CCCCC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001152340472 831742249 /nfs/dbraw/zinc/74/22/49/831742249.db2.gz OSJGDZHTWJCKPD-GFCCVEGCSA-N 1 3 310.398 -0.627 20 0 DBADHO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426760 831749313 /nfs/dbraw/zinc/74/93/13/831749313.db2.gz NSPLQZULJDFPNK-KGLIPLIRSA-N 1 3 319.446 -0.555 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC001152426962 831750074 /nfs/dbraw/zinc/75/00/74/831750074.db2.gz RRASQOUMULNSNB-ZDUSSCGKSA-N 1 3 319.471 -0.143 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001152459137 831753014 /nfs/dbraw/zinc/75/30/14/831753014.db2.gz ZOYAVQRMYQMGEF-RYUDHWBXSA-N 1 3 310.398 -0.628 20 0 DBADHO CN1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001155791005 831952702 /nfs/dbraw/zinc/95/27/02/831952702.db2.gz QKNDXMXWVWJNHH-LBPRGKRZSA-N 1 3 320.397 -0.395 20 0 DBADHO N[C@H]1CN(C(=O)[C@H]2C[NH2+]C[C@]23C(=O)Nc2ccccc23)C[C@H]1F ZINC001157536251 832051518 /nfs/dbraw/zinc/05/15/18/832051518.db2.gz JRXBYYDJSZVCLG-LSSIXWDNSA-N 1 3 318.352 -0.397 20 0 DBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001157717159 832057900 /nfs/dbraw/zinc/05/79/00/832057900.db2.gz XHBWHJPAIWTMJC-NHYWBVRUSA-N 1 3 313.373 -0.026 20 0 DBADHO COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001157717159 832057906 /nfs/dbraw/zinc/05/79/06/832057906.db2.gz XHBWHJPAIWTMJC-NHYWBVRUSA-N 1 3 313.373 -0.026 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157716983 832058724 /nfs/dbraw/zinc/05/87/24/832058724.db2.gz VOSHHBKHSXZHBO-NEPJUHHUSA-N 1 3 315.414 -0.247 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157902935 832071641 /nfs/dbraw/zinc/07/16/41/832071641.db2.gz DFZKEAHJAPSJBL-IHRRRGAJSA-N 1 3 301.431 -0.316 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157935567 832075057 /nfs/dbraw/zinc/07/50/57/832075057.db2.gz DOBKIPBROIOXTC-RDBSUJKOSA-N 1 3 301.431 -0.316 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001157944232 832076662 /nfs/dbraw/zinc/07/66/62/832076662.db2.gz ITQJGGLXQMGNJM-GUTXKFCHSA-N 1 3 301.431 -0.363 20 0 DBADHO C[C@]1(CO)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1O ZINC001157947178 832077782 /nfs/dbraw/zinc/07/77/82/832077782.db2.gz RAUMKQQGJCLHCJ-KCQAQPDRSA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H]1O ZINC001157947178 832077788 /nfs/dbraw/zinc/07/77/88/832077788.db2.gz RAUMKQQGJCLHCJ-KCQAQPDRSA-N 1 3 311.426 -0.548 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157945869 832078144 /nfs/dbraw/zinc/07/81/44/832078144.db2.gz LWXLCWQSAFRCMY-GZBFAFLISA-N 1 3 301.431 -0.363 20 0 DBADHO C[C@]1(CO)CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC[C@H]1O ZINC001157947785 832078208 /nfs/dbraw/zinc/07/82/08/832078208.db2.gz XJEBNGBIAUZDHH-UMVBOHGHSA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC[C@H]1O ZINC001157947785 832078219 /nfs/dbraw/zinc/07/82/19/832078219.db2.gz XJEBNGBIAUZDHH-UMVBOHGHSA-N 1 3 311.426 -0.548 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N2CCOC3(CC[NH2+]CC3)C2)C1=O ZINC001158077347 832087827 /nfs/dbraw/zinc/08/78/27/832087827.db2.gz UBCXWQHBFYNDIO-ZDUSSCGKSA-N 1 3 324.425 -0.693 20 0 DBADHO O=C(C[C@@H]1CCNC[C@H]1F)N1CC2(C[NH2+]C2)[C@]2(CCNC2=O)C1 ZINC001158118978 832092194 /nfs/dbraw/zinc/09/21/94/832092194.db2.gz FKFXHQQHZRBUJQ-HWWQOWPSSA-N 1 3 324.400 -0.738 20 0 DBADHO O=C(C[C@@H]1CCNC[C@H]1F)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158118983 832092304 /nfs/dbraw/zinc/09/23/04/832092304.db2.gz FKFXHQQHZRBUJQ-OZVIIMIRSA-N 1 3 324.400 -0.738 20 0 DBADHO NC1(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC001158168641 832095798 /nfs/dbraw/zinc/09/57/98/832095798.db2.gz WAJQYXRUDLHMRK-HUUCEWRRSA-N 1 3 301.390 -0.071 20 0 DBADHO NC1(C(=O)N2Cc3ncnn3C3(CC[NH2+]CC3)C2)CC(F)C1 ZINC001158277718 832102499 /nfs/dbraw/zinc/10/24/99/832102499.db2.gz SRDOHXFNHNVJJO-UHFFFAOYSA-N 1 3 308.361 -0.472 20 0 DBADHO NC(C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C(F)(F)F ZINC001158277082 832102568 /nfs/dbraw/zinc/10/25/68/832102568.db2.gz HSUKRCORIZODIU-VIFPVBQESA-N 1 3 318.303 -0.411 20 0 DBADHO CCOC(=O)[C@@]12C[NH2+]C[C@]1(C(F)(F)F)CN(C(=O)[C@@H](C)N)C2 ZINC001158384967 832107989 /nfs/dbraw/zinc/10/79/89/832107989.db2.gz UCRVNMWYQBTFRD-ZHAHWJHGSA-N 1 3 323.315 -0.123 20 0 DBADHO [NH3+]C1CCN(c2cccc(NC[C@@H]3CNC(=O)CO3)n2)CC1 ZINC001158392835 832108871 /nfs/dbraw/zinc/10/88/71/832108871.db2.gz FESOTYNRCPLBGF-GFCCVEGCSA-N 1 3 305.382 -0.064 20 0 DBADHO CCOC(=O)c1nc2n(n1)CCN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001158431505 832112261 /nfs/dbraw/zinc/11/22/61/832112261.db2.gz PZIFXYGICSUBIM-JTQLQIEISA-N 1 3 324.385 -0.747 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](N)Cc1c[nH]cn1 ZINC001158496556 832118450 /nfs/dbraw/zinc/11/84/50/832118450.db2.gz SEEXQBUHFQMSPG-ZBAXXZLZSA-N 1 3 321.381 -0.969 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001158496556 832118458 /nfs/dbraw/zinc/11/84/58/832118458.db2.gz SEEXQBUHFQMSPG-ZBAXXZLZSA-N 1 3 321.381 -0.969 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158567218 832122564 /nfs/dbraw/zinc/12/25/64/832122564.db2.gz GRERTIFRJGMCKV-UHTWSYAYSA-N 1 3 309.389 -0.175 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158576619 832122628 /nfs/dbraw/zinc/12/26/28/832122628.db2.gz CICOGZNWRCJGOK-MMWGEVLESA-N 1 3 300.378 -0.626 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158578145 832122700 /nfs/dbraw/zinc/12/27/00/832122700.db2.gz KQEMKELRGSMBPD-JYDZCJNKSA-N 1 3 305.419 -0.382 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1cc3c(nn1)CCNC3)CC2 ZINC001158634126 832125616 /nfs/dbraw/zinc/12/56/16/832125616.db2.gz CPHABUOUULZSSG-XJKSGUPXSA-N 1 3 317.393 -0.146 20 0 DBADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001158791048 832136722 /nfs/dbraw/zinc/13/67/22/832136722.db2.gz SHXRFGSAAIHINV-QWRGUYRKSA-N 1 3 310.402 -0.564 20 0 DBADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001158788957 832136777 /nfs/dbraw/zinc/13/67/77/832136777.db2.gz BQXWKGAWVSIVST-NEPJUHHUSA-N 1 3 324.429 -0.174 20 0 DBADHO CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CCC[NH3+])C[C@H]21 ZINC001159109245 832157666 /nfs/dbraw/zinc/15/76/66/832157666.db2.gz NZDLDUQIEPCLHA-MROQNXINSA-N 1 3 312.414 -0.948 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+][C@H]1CCNC1=O ZINC001159155075 832159998 /nfs/dbraw/zinc/15/99/98/832159998.db2.gz ICXCVXMCJJFVKZ-RYUDHWBXSA-N 1 3 302.394 -0.349 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)(C)C2)C1 ZINC001185676031 833805865 /nfs/dbraw/zinc/80/58/65/833805865.db2.gz IDQROXAHZJZQLU-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001185716185 833808542 /nfs/dbraw/zinc/80/85/42/833808542.db2.gz RQBHQGCTJKXDDD-MXWKQRLJSA-N 1 3 313.402 -0.900 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001186817478 833879533 /nfs/dbraw/zinc/87/95/33/833879533.db2.gz TUYIZQOYLZYOTG-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001186817478 833879540 /nfs/dbraw/zinc/87/95/40/833879540.db2.gz TUYIZQOYLZYOTG-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@H](C(=O)N1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C)N1CCCC1 ZINC001271214334 832640219 /nfs/dbraw/zinc/64/02/19/832640219.db2.gz QVWZOQDCKKCUFE-HRCADAONSA-N 1 3 324.469 -0.056 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C ZINC001271537616 832678866 /nfs/dbraw/zinc/67/88/66/832678866.db2.gz CVGJOEZWGOKQQZ-CABCVRRESA-N 1 3 312.458 -0.199 20 0 DBADHO N[C@@H](CC[NH3+])C(=O)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001159560510 832824032 /nfs/dbraw/zinc/82/40/32/832824032.db2.gz MEBSYMKGQAMEBC-ZDUSSCGKSA-N 1 3 320.441 -0.066 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159768731 832843169 /nfs/dbraw/zinc/84/31/69/832843169.db2.gz ATPHZAWKJYJKFX-DGAVXFQQSA-N 1 3 324.425 -0.663 20 0 DBADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC001159862183 832853774 /nfs/dbraw/zinc/85/37/74/832853774.db2.gz YXSIQVKSYQQPAD-AWEZNQCLSA-N 1 3 323.441 -0.176 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)C1CC1 ZINC001159932623 832860336 /nfs/dbraw/zinc/86/03/36/832860336.db2.gz TUZVAFAFJVUZRJ-CABCVRRESA-N 1 3 323.441 -0.320 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001159931222 832860882 /nfs/dbraw/zinc/86/08/82/832860882.db2.gz BDFRNMULTIYKJG-HNNXBMFYSA-N 1 3 324.425 -0.429 20 0 DBADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C[C@H]21 ZINC001160094973 832873087 /nfs/dbraw/zinc/87/30/87/832873087.db2.gz RZZJXRNIWIPSIS-RQJABVFESA-N 1 3 308.426 -0.458 20 0 DBADHO CCN(CC[NH2+]CCCS(C)(=O)=O)C(=O)[C@H]1CCCN1C ZINC001273297797 832908568 /nfs/dbraw/zinc/90/85/68/832908568.db2.gz BOEIYIYBXVVPTQ-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001160539432 832914921 /nfs/dbraw/zinc/91/49/21/832914921.db2.gz SOKHSHUTPITNFO-QWRGUYRKSA-N 1 3 301.354 -0.280 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCC2(CCC(=O)O2)CC1 ZINC001160577628 832919431 /nfs/dbraw/zinc/91/94/31/832919431.db2.gz OLSUSECGRAKNTI-JTQLQIEISA-N 1 3 301.412 -0.296 20 0 DBADHO CCOC(=O)[C@H]1CCCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160582587 832919736 /nfs/dbraw/zinc/91/97/36/832919736.db2.gz OYLKFAQEXHBUBS-WDEREUQCSA-N 1 3 303.428 -0.050 20 0 DBADHO O=C(N1CCC2(CCC(=O)O2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160575788 832920194 /nfs/dbraw/zinc/92/01/94/832920194.db2.gz IVMSCSIVVMSGPV-MLGOLLRUSA-N 1 3 307.394 -0.116 20 0 DBADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160635331 832926746 /nfs/dbraw/zinc/92/67/46/832926746.db2.gz IMLWYKNSRALFIS-GWCFXTLKSA-N 1 3 303.428 -0.193 20 0 DBADHO N[C@@]1(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)CCc2cc(F)ccc2C1 ZINC001160656523 832931423 /nfs/dbraw/zinc/93/14/23/832931423.db2.gz YIPPPFPWFCXTBZ-FMKPAKJESA-N 1 3 307.369 -0.068 20 0 DBADHO CC1(C)CN(C2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C2)CCO1 ZINC001160663110 832932369 /nfs/dbraw/zinc/93/23/69/832932369.db2.gz IGFGUSSGSCOTIN-ZDUSSCGKSA-N 1 3 308.426 -0.883 20 0 DBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001160696351 832935229 /nfs/dbraw/zinc/93/52/29/832935229.db2.gz VGCNVPMRTDHDNT-NEPJUHHUSA-N 1 3 315.439 -0.779 20 0 DBADHO CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)C1CCS(=O)(=O)CC1 ZINC001160718963 832937651 /nfs/dbraw/zinc/93/76/51/832937651.db2.gz YYVDUZNHGGSGRN-LBPRGKRZSA-N 1 3 303.428 -0.651 20 0 DBADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C1CCS(=O)(=O)CC1 ZINC001160718967 832937698 /nfs/dbraw/zinc/93/76/98/832937698.db2.gz ZBDUBLQTNUVOAS-BXUZGUMPSA-N 1 3 315.439 -0.779 20 0 DBADHO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H]1C[C@@H](N)C[NH2+]1 ZINC001160789561 832943695 /nfs/dbraw/zinc/94/36/95/832943695.db2.gz XQVWQUFBVIIXJG-UBHAPETDSA-N 1 3 307.354 -0.912 20 0 DBADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160820532 832946622 /nfs/dbraw/zinc/94/66/22/832946622.db2.gz YKRIZZQQZABRJI-RNJOBUHISA-N 1 3 307.394 -0.405 20 0 DBADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160822947 832946843 /nfs/dbraw/zinc/94/68/43/832946843.db2.gz AHQMMZVAKVNTFB-WCQYABFASA-N 1 3 323.397 -0.145 20 0 DBADHO CCOC(=O)[C@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001160824832 832947753 /nfs/dbraw/zinc/94/77/53/832947753.db2.gz RPLLTNWDZSHQKR-CMPLNLGQSA-N 1 3 309.370 -0.535 20 0 DBADHO Nc1cccnc1N1CCN(C(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)CC1 ZINC001160826360 832947962 /nfs/dbraw/zinc/94/79/62/832947962.db2.gz XCQGKCKJUGCQJL-IOASZLSFSA-N 1 3 316.409 -0.466 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001160889259 832957344 /nfs/dbraw/zinc/95/73/44/832957344.db2.gz GDVDHZHAQYQRRL-GFCCVEGCSA-N 1 3 312.414 -0.429 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C ZINC001160890242 832957435 /nfs/dbraw/zinc/95/74/35/832957435.db2.gz ZTMGUGOTDNWYKE-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160936421 832961130 /nfs/dbraw/zinc/96/11/30/832961130.db2.gz IQZJOSXTZKELLA-AWEZNQCLSA-N 1 3 319.409 -0.178 20 0 DBADHO C[NH+]1CCC2(CCN(C(=O)[C@@H]3COC4(CNC4)CN3)CC2)CC1 ZINC001160991429 832964528 /nfs/dbraw/zinc/96/45/28/832964528.db2.gz DBJQAKKMNBAQPJ-AWEZNQCLSA-N 1 3 322.453 -0.349 20 0 DBADHO C[NH+]1CCN(c2cccc(NCCN3CCNCC3=O)n2)CC1 ZINC001161024617 832967982 /nfs/dbraw/zinc/96/79/82/832967982.db2.gz PGHDYOWJHORHIZ-UHFFFAOYSA-N 1 3 318.425 -0.323 20 0 DBADHO NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001161034330 832968988 /nfs/dbraw/zinc/96/89/88/832968988.db2.gz GOFUQXINCHZTRO-OCCSQVGLSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCC(=O)N(C)C)C2)C1=O ZINC001273837850 832971745 /nfs/dbraw/zinc/97/17/45/832971745.db2.gz HKXQWTPMTIJMNN-INIZCTEOSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCC(=O)N(C)C)C2)C1=O ZINC001273837850 832971751 /nfs/dbraw/zinc/97/17/51/832971751.db2.gz HKXQWTPMTIJMNN-INIZCTEOSA-N 1 3 310.442 -0.049 20 0 DBADHO CC(=O)N1CCC[C@@H](N(C)C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161128853 832981003 /nfs/dbraw/zinc/98/10/03/832981003.db2.gz BGVKTWGYIVMOLZ-IIAWOOMASA-N 1 3 308.426 -0.345 20 0 DBADHO CNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1C ZINC001178716526 833521727 /nfs/dbraw/zinc/52/17/27/833521727.db2.gz RRKQEZSQRLNVMC-YUTCNCBUSA-N 1 3 308.426 -0.347 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C)N(C)C ZINC001178985822 833532015 /nfs/dbraw/zinc/53/20/15/833532015.db2.gz ZCMOYICRFDDCKG-MELADBBJSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1C)N(C)C ZINC001178990028 833532155 /nfs/dbraw/zinc/53/21/55/833532155.db2.gz FTKQUWVVNGEURM-RFQIPJPRSA-N 1 3 301.431 -0.087 20 0 DBADHO C[C@H]1[C@@H](N[C@H]2CCNC2=O)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179430749 833546276 /nfs/dbraw/zinc/54/62/76/833546276.db2.gz DZKBRHPLVHSSJQ-AVGNSLFASA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CC(=O)N(C)C)[C@@H]2C)C1 ZINC001179538857 833549650 /nfs/dbraw/zinc/54/96/50/833549650.db2.gz JIDKEGZMKYVJHR-RDBSUJKOSA-N 1 3 310.442 -0.005 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@@H](C)C2)[C@H]1C ZINC001179538430 833549811 /nfs/dbraw/zinc/54/98/11/833549811.db2.gz DHRNERYXYQZECQ-QPSCCSFWSA-N 1 3 313.442 -0.086 20 0 DBADHO CCNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929158 833563736 /nfs/dbraw/zinc/56/37/36/833563736.db2.gz FJSYMTHQJBDBRP-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](N[C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001185229736 833784425 /nfs/dbraw/zinc/78/44/25/833784425.db2.gz GNNMGTIOUFEVEY-NEPJUHHUSA-N 1 3 322.409 -0.676 20 0 DBADHO C[C@H](COCC(=O)N1CC[C@@H](NCC(N)=O)C1)[NH+]1CCCC1 ZINC001185742946 833809309 /nfs/dbraw/zinc/80/93/09/833809309.db2.gz RDUZJIYYHDEIDZ-CHWSQXEVSA-N 1 3 312.414 -0.837 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001187106492 833902335 /nfs/dbraw/zinc/90/23/35/833902335.db2.gz IHNRTMFTWVVUIM-QWHCGFSZSA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001187106492 833902340 /nfs/dbraw/zinc/90/23/40/833902340.db2.gz IHNRTMFTWVVUIM-QWHCGFSZSA-N 1 3 317.455 -0.437 20 0 DBADHO CN(C(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC001187121149 833903952 /nfs/dbraw/zinc/90/39/52/833903952.db2.gz FCSYWIXJTYWFIS-CYBMUJFWSA-N 1 3 320.437 -0.107 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001187298939 833915611 /nfs/dbraw/zinc/91/56/11/833915611.db2.gz SGCJQQAFFWSEOV-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001187298939 833915618 /nfs/dbraw/zinc/91/56/18/833915618.db2.gz SGCJQQAFFWSEOV-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001187307173 833915874 /nfs/dbraw/zinc/91/58/74/833915874.db2.gz XSEAPACLWZBSBL-CYBMUJFWSA-N 1 3 324.425 -0.332 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001187307308 833916437 /nfs/dbraw/zinc/91/64/37/833916437.db2.gz ZPGYVUFXVSJTIJ-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001187817276 833951305 /nfs/dbraw/zinc/95/13/05/833951305.db2.gz DAYKUEXKAJQDIU-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)NCC3CC3)C2)C1 ZINC001187817276 833951306 /nfs/dbraw/zinc/95/13/06/833951306.db2.gz DAYKUEXKAJQDIU-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001188140043 833969885 /nfs/dbraw/zinc/96/98/85/833969885.db2.gz WUEDHHUHOOZJAW-HUUCEWRRSA-N 1 3 323.441 -0.225 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001188140031 833970624 /nfs/dbraw/zinc/97/06/24/833970624.db2.gz WPBBRUHCKXYYMV-WDEREUQCSA-N 1 3 313.402 -0.900 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CCCN1C)[NH2+]CCNS(C)(=O)=O ZINC001277772405 833990559 /nfs/dbraw/zinc/99/05/59/833990559.db2.gz XGEZPAZMBBSROP-RYUDHWBXSA-N 1 3 320.459 -0.934 20 0 DBADHO CN(C)C(=O)CN1C[C@H]2C(=O)NC3(CC[NH+](C4CC4)CC3)[C@@H]2C1 ZINC001277922830 834007251 /nfs/dbraw/zinc/00/72/51/834007251.db2.gz NZIVCXSWCDRMFF-ZIAGYGMSSA-N 1 3 320.437 -0.251 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192169866 834336632 /nfs/dbraw/zinc/33/66/32/834336632.db2.gz DKDHUXILWCRJFB-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO O=S(=O)([N-]C[C@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001238169963 834347703 /nfs/dbraw/zinc/34/77/03/834347703.db2.gz MXRUSEQULMDCHN-BDAKNGLRSA-N 1 3 301.334 -0.190 20 0 DBADHO O=S(=O)([N-]C[C@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001238169966 834348152 /nfs/dbraw/zinc/34/81/52/834348152.db2.gz MXRUSEQULMDCHN-IUCAKERBSA-N 1 3 301.334 -0.190 20 0 DBADHO CCOCCS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244269 834349527 /nfs/dbraw/zinc/34/95/27/834349527.db2.gz ZJCHIRSCARJKPD-LBPRGKRZSA-N 1 3 305.444 -0.184 20 0 DBADHO CCOCCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238244269 834349538 /nfs/dbraw/zinc/34/95/38/834349538.db2.gz ZJCHIRSCARJKPD-LBPRGKRZSA-N 1 3 305.444 -0.184 20 0 DBADHO Cn1ccnc1S(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244217 834349561 /nfs/dbraw/zinc/34/95/61/834349561.db2.gz YFNDLBANFPNZLA-NSHDSACASA-N 1 3 313.427 -0.427 20 0 DBADHO Cn1ccnc1S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238244217 834349571 /nfs/dbraw/zinc/34/95/71/834349571.db2.gz YFNDLBANFPNZLA-NSHDSACASA-N 1 3 313.427 -0.427 20 0 DBADHO CCOC(=O)CS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244226 834350758 /nfs/dbraw/zinc/35/07/58/834350758.db2.gz YJJVFPPWFJCWLF-LLVKDONJSA-N 1 3 319.427 -0.657 20 0 DBADHO O=S(=O)(NC[C@@H]1CC[C@H]2NCCO[C@H]21)C1CC[NH2+]CC1 ZINC001238328754 834352140 /nfs/dbraw/zinc/35/21/40/834352140.db2.gz UQSBNHWTCVXIKV-UHTWSYAYSA-N 1 3 303.428 -0.575 20 0 DBADHO O=S(=O)(NC[C@@H]1CC[C@@H]2NCCO[C@H]12)C1CC[NH2+]CC1 ZINC001238328755 834352344 /nfs/dbraw/zinc/35/23/44/834352344.db2.gz UQSBNHWTCVXIKV-WCFLWFBJSA-N 1 3 303.428 -0.575 20 0 DBADHO O=S(=O)([N-][C@@H]1CC[NH2+]C[C@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC001238760644 834363518 /nfs/dbraw/zinc/36/35/18/834363518.db2.gz MMPLKERSYMEAJO-DJLDLDEBSA-N 1 3 301.334 -0.192 20 0 DBADHO O=S(=O)(CC1CC[NH2+]CC1)N[C@H]1C[C@@H]2COC[C@H](C1)N2 ZINC001238829088 834366094 /nfs/dbraw/zinc/36/60/94/834366094.db2.gz XUEBEWZEFWOXEE-CLLJXQQHSA-N 1 3 303.428 -0.575 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001192386170 834366641 /nfs/dbraw/zinc/36/66/41/834366641.db2.gz OPWCZHKEQVQBRV-MCIONIFRSA-N 1 3 301.431 -0.133 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001192386170 834366650 /nfs/dbraw/zinc/36/66/50/834366650.db2.gz OPWCZHKEQVQBRV-MCIONIFRSA-N 1 3 301.431 -0.133 20 0 DBADHO CCOC(=O)C(C)(C)S(=O)(=O)NCCC[NH2+]CCCN ZINC001238878387 834368798 /nfs/dbraw/zinc/36/87/98/834368798.db2.gz DYQOEXFKRDMNTE-UHFFFAOYSA-N 1 3 309.432 -0.424 20 0 DBADHO COC(=O)[C@@H]([N-]S(=O)(=O)CC1CC[NH2+]CC1)[C@@H]1CC[NH2+]C1 ZINC001238896860 834369671 /nfs/dbraw/zinc/36/96/71/834369671.db2.gz CLBBEKRVBIDRCJ-NEPJUHHUSA-N 1 3 319.427 -0.944 20 0 DBADHO CCOC(=O)[C@H]1CC2(CN1S(=O)(=O)CCN)CC[NH2+]CC2 ZINC001239003070 834377087 /nfs/dbraw/zinc/37/70/87/834377087.db2.gz YWSXFCCOQOVYOO-LLVKDONJSA-N 1 3 319.427 -0.718 20 0 DBADHO C[N@H+](C1CCOCC1)C1CCN(S(=O)(=O)CCN)CC1 ZINC001239098977 834384836 /nfs/dbraw/zinc/38/48/36/834384836.db2.gz CPVVLGSJDMYFLT-UHFFFAOYSA-N 1 3 305.444 -0.150 20 0 DBADHO C[N@@H+](C1CCOCC1)C1CCN(S(=O)(=O)CCN)CC1 ZINC001239098977 834384844 /nfs/dbraw/zinc/38/48/44/834384844.db2.gz CPVVLGSJDMYFLT-UHFFFAOYSA-N 1 3 305.444 -0.150 20 0 DBADHO COC(=O)C1C[C@@H]2CC([NH2+][C@H]3CCOC34CNC4)C[C@H](C1)N2 ZINC001246125069 834418981 /nfs/dbraw/zinc/41/89/81/834418981.db2.gz JAJQVSGKTFUDHF-XGVQBZMBSA-N 1 3 309.410 -0.221 20 0 DBADHO COC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CCN(C(C)C)CC2)CN1 ZINC001246237407 834426147 /nfs/dbraw/zinc/42/61/47/834426147.db2.gz NRUHGIAZWMJALW-GJZGRUSLSA-N 1 3 312.458 -0.104 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CO1 ZINC001246412239 834434529 /nfs/dbraw/zinc/43/45/29/834434529.db2.gz ADYOVDNWIVBODJ-SRVKXCTJSA-N 1 3 301.387 -0.330 20 0 DBADHO CC(C)(C)OC(=O)[C@H](N)C1CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246495420 834438378 /nfs/dbraw/zinc/43/83/78/834438378.db2.gz PDYAQNHCYDLXNE-QWHCGFSZSA-N 1 3 310.442 -0.319 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])N[C@H]1CCN[C@H](C(=O)OC)C1 ZINC001246513277 834439904 /nfs/dbraw/zinc/43/99/04/834439904.db2.gz SEYAVVFURRALPN-SRVKXCTJSA-N 1 3 300.403 -0.887 20 0 DBADHO O[C@@]1(C(F)(F)F)COCCN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246577549 834440724 /nfs/dbraw/zinc/44/07/24/834440724.db2.gz RYMQQPXKGGPSSA-ZYHUDNBSSA-N 1 3 309.332 -0.294 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H](N2CCOCC3(CC[NH2+]CC3)C2)CN1 ZINC001246611415 834442289 /nfs/dbraw/zinc/44/22/89/834442289.db2.gz GGASTLSGQZVCBH-KGLIPLIRSA-N 1 3 311.426 -0.018 20 0 DBADHO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@H]3CCOC4(CNC4)C3)C[C@@H]2N1 ZINC001246673064 834446970 /nfs/dbraw/zinc/44/69/70/834446970.db2.gz WBGLVDRXOGCDSU-RQJABVFESA-N 1 3 309.410 -0.267 20 0 DBADHO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@H]3CCOC4(CNC4)C3)C[C@@H]2N1 ZINC001246673064 834446974 /nfs/dbraw/zinc/44/69/74/834446974.db2.gz WBGLVDRXOGCDSU-RQJABVFESA-N 1 3 309.410 -0.267 20 0 DBADHO O=C([C@H]1C[C@@H]2[C@@H](CC[N@@H+]2C2CCNCC2)O1)N1CCOCC1 ZINC001246724340 834450972 /nfs/dbraw/zinc/45/09/72/834450972.db2.gz MMUSHIQYIJNGDS-RBSFLKMASA-N 1 3 309.410 -0.171 20 0 DBADHO O=C([C@H]1C[C@@H]2[C@@H](CC[N@H+]2C2CCNCC2)O1)N1CCOCC1 ZINC001246724340 834450977 /nfs/dbraw/zinc/45/09/77/834450977.db2.gz MMUSHIQYIJNGDS-RBSFLKMASA-N 1 3 309.410 -0.171 20 0 DBADHO O=C([C@H]1C[C@@H]2[C@@H](CCN2C2CC[NH2+]CC2)O1)N1CCOCC1 ZINC001246724340 834450985 /nfs/dbraw/zinc/45/09/85/834450985.db2.gz MMUSHIQYIJNGDS-RBSFLKMASA-N 1 3 309.410 -0.171 20 0 DBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193016156 834453129 /nfs/dbraw/zinc/45/31/29/834453129.db2.gz SMGIORWXIDPGPK-RBSFLKMASA-N 1 3 311.426 -0.474 20 0 DBADHO C[C@@H]1CC[C@@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)C[NH2+]1 ZINC001247008780 834467663 /nfs/dbraw/zinc/46/76/63/834467663.db2.gz LFWASBSXSXDHQI-KVSVUVNWSA-N 1 3 301.412 -0.728 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[C@H]2CC[NH2+][C@@H]2C1)O3 ZINC001247008881 834467669 /nfs/dbraw/zinc/46/76/69/834467669.db2.gz ILDKCONQSPCUEF-KJKVDNPUSA-N 1 3 313.423 -0.728 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCC[NH2+]C[C@H]1F)O3 ZINC001247007116 834467681 /nfs/dbraw/zinc/46/76/81/834467681.db2.gz BMVHJEYRDIYHBY-KVSVUVNWSA-N 1 3 319.402 -0.779 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21)O3 ZINC001247007910 834467768 /nfs/dbraw/zinc/46/77/68/834467768.db2.gz HHTMMKNZEHZOON-IIEFLBBWSA-N 1 3 313.423 -0.871 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@H]1COC2(CNC2)C1 ZINC001247009708 834467787 /nfs/dbraw/zinc/46/77/87/834467787.db2.gz LKMQFGBNSNOXEZ-IJLUTSLNSA-N 1 3 301.412 -0.869 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[C@@H]2CC[NH2+][C@H]2C1)O3 ZINC001247008883 834467881 /nfs/dbraw/zinc/46/78/81/834467881.db2.gz ILDKCONQSPCUEF-KTEZLCCFSA-N 1 3 313.423 -0.728 20 0 DBADHO CC1(C)C[NH2+]CC[C@@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247010822 834468949 /nfs/dbraw/zinc/46/89/49/834468949.db2.gz PLXWJENWEBOCKI-UHXUPSOCSA-N 1 3 315.439 -0.481 20 0 DBADHO C[C@H]1C[NH2+]CCC[C@@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247012966 834469184 /nfs/dbraw/zinc/46/91/84/834469184.db2.gz VKHYAKPGEQSDAS-NDKCEZKHSA-N 1 3 315.439 -0.481 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCCC[NH2+]C1)O3 ZINC001247013774 834469381 /nfs/dbraw/zinc/46/93/81/834469381.db2.gz YEWGRXZYURQAIO-RNJOBUHISA-N 1 3 301.412 -0.727 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001247013805 834469399 /nfs/dbraw/zinc/46/93/99/834469399.db2.gz YWQUHSJUNDLSCV-XVIXHAIJSA-N 1 3 315.439 -0.481 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[C@H]2C[NH2+]C[C@H]2C1)O3 ZINC001247011648 834469425 /nfs/dbraw/zinc/46/94/25/834469425.db2.gz QIRQTENAANARHI-FDFVQJQPSA-N 1 3 313.423 -0.871 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCC2(C[NH2+]C2)C1)O3 ZINC001247010204 834469488 /nfs/dbraw/zinc/46/94/88/834469488.db2.gz NKPYEUIAQMPTBG-OPDFLTKYSA-N 1 3 313.423 -0.727 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1)O3 ZINC001247011654 834469729 /nfs/dbraw/zinc/46/97/29/834469729.db2.gz QIRQTENAANARHI-XNJGVTPASA-N 1 3 313.423 -0.871 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N(C)CCOCCO)C1 ZINC001193280964 834481935 /nfs/dbraw/zinc/48/19/35/834481935.db2.gz YSTMCDZRXIBUGE-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N(C)CCOCCO)C1 ZINC001193280964 834481942 /nfs/dbraw/zinc/48/19/42/834481942.db2.gz YSTMCDZRXIBUGE-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001193642099 834518783 /nfs/dbraw/zinc/51/87/83/834518783.db2.gz MGLVEEITDFBKKC-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001193642099 834518789 /nfs/dbraw/zinc/51/87/89/834518789.db2.gz MGLVEEITDFBKKC-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO C[C@@]1(C2CC[NH+](C[C@H](O)CN3CCCC3)CC2)NC(=O)NC1=O ZINC001252732668 834551403 /nfs/dbraw/zinc/55/14/03/834551403.db2.gz KNWMYOZQQQYDHC-CJNGLKHVSA-N 1 3 324.425 -0.247 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252815411 834554099 /nfs/dbraw/zinc/55/40/99/834554099.db2.gz QFTZQWPVUJNJPS-HNNXBMFYSA-N 1 3 323.437 -0.182 20 0 DBADHO COC[C@@H](O)C[N@H+]1CCc2ccc(=O)n(CCN(C)C)c2CC1 ZINC001252815411 834554108 /nfs/dbraw/zinc/55/41/08/834554108.db2.gz QFTZQWPVUJNJPS-HNNXBMFYSA-N 1 3 323.437 -0.182 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001194285078 834586032 /nfs/dbraw/zinc/58/60/32/834586032.db2.gz PGVSOYAKLSIDJV-AWEZNQCLSA-N 1 3 301.431 -0.132 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001194285078 834586038 /nfs/dbraw/zinc/58/60/38/834586038.db2.gz PGVSOYAKLSIDJV-AWEZNQCLSA-N 1 3 301.431 -0.132 20 0 DBADHO C[C@@H](CC(=O)N1CCOCC1)N[C@@]1(C[NH3+])CN2CCC1CC2 ZINC001256330314 834625033 /nfs/dbraw/zinc/62/50/33/834625033.db2.gz NHCXKEPIZDBAFW-BBRMVZONSA-N 1 3 310.442 -0.364 20 0 DBADHO C[C@H](CC(=O)N1CCOCC1)N[C@@]1(C[NH3+])CN2CCC1CC2 ZINC001256330315 834625317 /nfs/dbraw/zinc/62/53/17/834625317.db2.gz NHCXKEPIZDBAFW-CJNGLKHVSA-N 1 3 310.442 -0.364 20 0 DBADHO CS(=O)(=O)N1CC([NH2+]C2CCC(N3CCOCC3)CC2)C1 ZINC001256679915 834633726 /nfs/dbraw/zinc/63/37/26/834633726.db2.gz VNTRFFCOIIPOQQ-UHFFFAOYSA-N 1 3 317.455 -0.137 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195830128 834727990 /nfs/dbraw/zinc/72/79/90/834727990.db2.gz VZRYAVYCDHZVNB-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO CO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001195860535 834730994 /nfs/dbraw/zinc/73/09/94/834730994.db2.gz YRNCTACAJGEEGG-RBSFLKMASA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001195894499 834734033 /nfs/dbraw/zinc/73/40/33/834734033.db2.gz ZGOHNWRTMLJUAG-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO COC[C@H](O)CN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001195894499 834734036 /nfs/dbraw/zinc/73/40/36/834734036.db2.gz ZGOHNWRTMLJUAG-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1O ZINC001197493447 834875697 /nfs/dbraw/zinc/87/56/97/834875697.db2.gz NNGGWHXRZOHRLE-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCCOC)C[C@H]1O ZINC001197493447 834875712 /nfs/dbraw/zinc/87/57/12/834875712.db2.gz NNGGWHXRZOHRLE-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1)OC ZINC001197536092 834878984 /nfs/dbraw/zinc/87/89/84/834878984.db2.gz IYUMAPBIYAJCEW-MGPQQGTHSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1)OC ZINC001197536092 834878999 /nfs/dbraw/zinc/87/89/99/834878999.db2.gz IYUMAPBIYAJCEW-MGPQQGTHSA-N 1 3 301.431 -0.086 20 0 DBADHO Cn1ccn2c(CC[NH2+]C[C@@H](O)CN3CCCC3)nnc2c1=O ZINC001262492081 834945169 /nfs/dbraw/zinc/94/51/69/834945169.db2.gz YLCKJMRYMIVTQT-GFCCVEGCSA-N 1 3 320.397 -0.983 20 0 DBADHO C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001263206737 834975925 /nfs/dbraw/zinc/97/59/25/834975925.db2.gz HLDLSLIHGKUSSR-JKSUJKDBSA-N 1 3 323.485 -0.434 20 0 DBADHO CCO[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C[NH2+]CCO ZINC001264533422 835034531 /nfs/dbraw/zinc/03/45/31/835034531.db2.gz GPXHUUFSHCEERI-RBSFLKMASA-N 1 3 313.442 -0.226 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001199787644 835056753 /nfs/dbraw/zinc/05/67/53/835056753.db2.gz CBTVTUVKLSEMPU-AWEZNQCLSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CCN(CCOCCO)CC1 ZINC001265200174 835105900 /nfs/dbraw/zinc/10/59/00/835105900.db2.gz LMEPTRVBDJRXEU-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CCN(CCOCCO)CC1 ZINC001265200174 835105904 /nfs/dbraw/zinc/10/59/04/835105904.db2.gz LMEPTRVBDJRXEU-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CCCS(C)(=O)=O)C1)N(C)C ZINC001265436278 835140307 /nfs/dbraw/zinc/14/03/07/835140307.db2.gz CYJMIDLOGRJERN-QWHCGFSZSA-N 1 3 319.471 -0.048 20 0 DBADHO C[NH+](C)[C@@H](C(=O)N1CCCO[C@H](CNCC(N)=O)C1)C1CC1 ZINC001200689053 835145594 /nfs/dbraw/zinc/14/55/94/835145594.db2.gz ZHTBYSOTWFYOEZ-TZMCWYRMSA-N 1 3 312.414 -0.981 20 0 DBADHO CN(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1)C1CC1 ZINC001200688090 835145791 /nfs/dbraw/zinc/14/57/91/835145791.db2.gz KODMQEQZNLTGRF-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)N(C)C ZINC001200737659 835150262 /nfs/dbraw/zinc/15/02/62/835150262.db2.gz REACJRPRZXGYRN-KGLIPLIRSA-N 1 3 301.431 -0.228 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200850047 835155542 /nfs/dbraw/zinc/15/55/42/835155542.db2.gz CWLCBBRQXHTJLJ-ZDUSSCGKSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@H](C(=O)N1CCC([NH2+]C[C@H](O)COC)CC1)N(C)C ZINC001201238887 835177451 /nfs/dbraw/zinc/17/74/51/835177451.db2.gz DQPZHZCPNOZZMI-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO CNC(=O)CNC[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1 ZINC001201277899 835180708 /nfs/dbraw/zinc/18/07/08/835180708.db2.gz ZXXQTDJLBKXNJI-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCCO[C@@H](CNCC(N)=O)C2)CC1 ZINC001201308875 835182424 /nfs/dbraw/zinc/18/24/24/835182424.db2.gz GSLGVSJILRFFEP-ZDUSSCGKSA-N 1 3 312.414 -0.979 20 0 DBADHO CC[C@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(N)=O ZINC001201335898 835183918 /nfs/dbraw/zinc/18/39/18/835183918.db2.gz QZZWZHCXKHLDGP-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CC1CCN(CC(=O)N2CC[C@H]([NH2+]CCOCCO)C2)CC1 ZINC001265936130 835201880 /nfs/dbraw/zinc/20/18/80/835201880.db2.gz DNBJAEXROTTWIE-HNNXBMFYSA-N 1 3 313.442 -0.082 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)NC)C1 ZINC001201800028 835210692 /nfs/dbraw/zinc/21/06/92/835210692.db2.gz AVLQBFUUTRZVHB-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CNCC(=O)NC)C1 ZINC001201800028 835210696 /nfs/dbraw/zinc/21/06/96/835210696.db2.gz AVLQBFUUTRZVHB-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201924110 835220187 /nfs/dbraw/zinc/22/01/87/835220187.db2.gz CJLSPJTYIUTGPI-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201924110 835220195 /nfs/dbraw/zinc/22/01/95/835220195.db2.gz CJLSPJTYIUTGPI-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@H](C)O)C1 ZINC001202163252 835235735 /nfs/dbraw/zinc/23/57/35/835235735.db2.gz FEBGDCFGNSNJIG-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001202162848 835236459 /nfs/dbraw/zinc/23/64/59/835236459.db2.gz ALOXOJAISSTBSS-QWHCGFSZSA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001202496722 835251425 /nfs/dbraw/zinc/25/14/25/835251425.db2.gz WCKYVJZLLOKPNP-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)NC(N)=O ZINC001202674322 835261453 /nfs/dbraw/zinc/26/14/53/835261453.db2.gz SKIDONHIONKTAP-SECBINFHSA-N 1 3 322.369 -0.884 20 0 DBADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@H](O)COC)CC1 ZINC001203455088 835297222 /nfs/dbraw/zinc/29/72/22/835297222.db2.gz CRORJBYZGMKRGK-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO CS(=O)(=O)CC[NH2+]C1CCN(C(=O)CN2CCCC2)CC1 ZINC001203705264 835305542 /nfs/dbraw/zinc/30/55/42/835305542.db2.gz QDXXTTQRCBFCCG-UHFFFAOYSA-N 1 3 317.455 -0.293 20 0 DBADHO COC[C@@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204794277 835327630 /nfs/dbraw/zinc/32/76/30/835327630.db2.gz ZYIVMRKPOKFULE-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO CS(=O)(=O)N1CCC(CN2CCCC[C@](O)(C[NH3+])C2)CC1 ZINC001205662912 835350259 /nfs/dbraw/zinc/35/02/59/835350259.db2.gz FIETVZSMYKXZMA-AWEZNQCLSA-N 1 3 319.471 -0.166 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001266904631 835403795 /nfs/dbraw/zinc/40/37/95/835403795.db2.gz GGNRZVBFECFVSI-OJROKELRSA-N 1 3 322.409 -0.822 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001266904631 835403800 /nfs/dbraw/zinc/40/38/00/835403800.db2.gz GGNRZVBFECFVSI-OJROKELRSA-N 1 3 322.409 -0.822 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CCCC[C@@H](C[NH3+])C2)O1 ZINC001206606381 835405750 /nfs/dbraw/zinc/40/57/50/835405750.db2.gz MEUGLJWHSVXMME-RFQIPJPRSA-N 1 3 302.415 -0.080 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCn2cncn2)C1 ZINC001267053241 835436939 /nfs/dbraw/zinc/43/69/39/835436939.db2.gz MPTNAJCSDLJGSR-UONOGXRCSA-N 1 3 306.414 -0.190 20 0 DBADHO CN(CCNCC(N)=O)C(=O)c1ccccc1CC[NH+](C)C ZINC001267408725 835505461 /nfs/dbraw/zinc/50/54/61/835505461.db2.gz KTGDIXRTTPJPPS-UHFFFAOYSA-N 1 3 306.410 -0.062 20 0 DBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267989905 835617209 /nfs/dbraw/zinc/61/72/09/835617209.db2.gz OWCMMEOAPSBSJT-DGCLKSJQSA-N 1 3 324.425 -0.382 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CCn2cccn2)CCC1 ZINC001268306341 835655396 /nfs/dbraw/zinc/65/53/96/835655396.db2.gz AQLFLEHLLLBAAS-CYBMUJFWSA-N 1 3 309.414 -0.566 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC[C@@H]1CCOC1 ZINC001268334370 835670915 /nfs/dbraw/zinc/67/09/15/835670915.db2.gz YSKQSNBPNAIZRT-OLZOCXBDSA-N 1 3 310.398 -0.246 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001268669035 835771582 /nfs/dbraw/zinc/77/15/82/835771582.db2.gz FFDRIONJQIPYPG-VXGBXAGGSA-N 1 3 312.414 -0.430 20 0 DBADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001485834638 1013384578 /nfs/dbraw/zinc/38/45/78/1013384578.db2.gz QXPQUGQOWQSCGG-KBPBESRZSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485834638 1013384587 /nfs/dbraw/zinc/38/45/87/1013384587.db2.gz QXPQUGQOWQSCGG-KBPBESRZSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)NCc1nc(=O)n(C)[nH]1 ZINC001485916172 1013427452 /nfs/dbraw/zinc/42/74/52/1013427452.db2.gz LJUNJYFFCHVJNR-NSHDSACASA-N 1 3 312.418 -0.613 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001485941300 1013439799 /nfs/dbraw/zinc/43/97/99/1013439799.db2.gz NSLZKIFDIJVLNO-VXGBXAGGSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001485941300 1013439814 /nfs/dbraw/zinc/43/98/14/1013439814.db2.gz NSLZKIFDIJVLNO-VXGBXAGGSA-N 1 3 312.414 -0.430 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001486095097 1013671252 /nfs/dbraw/zinc/67/12/52/1013671252.db2.gz GKKCPNCTSYXPTC-GHMZBOCLSA-N 1 3 313.402 -0.900 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001486233845 1013722284 /nfs/dbraw/zinc/72/22/84/1013722284.db2.gz OIVYKLQXBFUVHD-NWDGAFQWSA-N 1 3 316.421 -0.022 20 0 DBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001486358703 1013831028 /nfs/dbraw/zinc/83/10/28/1013831028.db2.gz HXEADPIVAXVCMB-CQSZACIVSA-N 1 3 301.431 -0.394 20 0 DBADHO CN(C)C1(C(=O)N(C)C2CC([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001486465539 1013844767 /nfs/dbraw/zinc/84/47/67/1013844767.db2.gz SKBDZGCSTYLCFE-BPCQOVAHSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@H](NCCOCCN(C)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001486497004 1013850914 /nfs/dbraw/zinc/85/09/14/1013850914.db2.gz AOOMOICZUATHDW-LBPRGKRZSA-N 1 3 314.430 -0.733 20 0 DBADHO CC[N@@H+]1CC[C@H](NC[C@@]23COCCN2C(=O)COC3)[C@H](C)C1 ZINC000866554708 977407930 /nfs/dbraw/zinc/40/79/30/977407930.db2.gz ISHVSMOGYYEYNB-YCPHGPKFSA-N 1 3 311.426 -0.066 20 0 DBADHO CC[N@H+]1CC[C@H](NC[C@@]23COCCN2C(=O)COC3)[C@H](C)C1 ZINC000866554708 977407933 /nfs/dbraw/zinc/40/79/33/977407933.db2.gz ISHVSMOGYYEYNB-YCPHGPKFSA-N 1 3 311.426 -0.066 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCO[C@@H](CN[C@@H]3CCNC3=O)C2)CC1 ZINC001051802679 977492504 /nfs/dbraw/zinc/49/25/04/977492504.db2.gz ZMLALMKFAQQMMN-UONOGXRCSA-N 1 3 324.425 -0.966 20 0 DBADHO Cn1cncc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051931113 977563903 /nfs/dbraw/zinc/56/39/03/977563903.db2.gz TZEGSCZCYBLDCZ-ZFWWWQNUSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cncc1CNC[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931113 977563910 /nfs/dbraw/zinc/56/39/10/977563910.db2.gz TZEGSCZCYBLDCZ-ZFWWWQNUSA-N 1 3 321.425 -0.311 20 0 DBADHO Cc1nc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)n[nH]1 ZINC001051931555 977565081 /nfs/dbraw/zinc/56/50/81/977565081.db2.gz CSEHEWGQIOKPPE-STQMWFEESA-N 1 3 322.413 -0.618 20 0 DBADHO Cc1nc(CNC[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)n[nH]1 ZINC001051931555 977565097 /nfs/dbraw/zinc/56/50/97/977565097.db2.gz CSEHEWGQIOKPPE-STQMWFEESA-N 1 3 322.413 -0.618 20 0 DBADHO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)N(C)C)C1 ZINC001208335649 978346385 /nfs/dbraw/zinc/34/63/85/978346385.db2.gz XGWHHPRSEYNBPD-HIFRSBDPSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)C(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001208335650 978346478 /nfs/dbraw/zinc/34/64/78/978346478.db2.gz XGWHHPRSEYNBPD-UKRRQHHQSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001208485189 978380958 /nfs/dbraw/zinc/38/09/58/978380958.db2.gz IGXJPLMITNJINB-UKRRQHHQSA-N 1 3 313.442 -0.226 20 0 DBADHO C[C@@H](COCC(=O)N[C@@H]1CN(CCO)C[C@H]1C)[NH+]1CCCC1 ZINC001208739417 978404393 /nfs/dbraw/zinc/40/43/93/978404393.db2.gz SNPZEQUFAHOMTC-QLFBSQMISA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CCOCCO)C2)C1 ZINC001209640973 978468168 /nfs/dbraw/zinc/46/81/68/978468168.db2.gz GCYSEWMLBSOHMF-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO CNC(=O)[C@@H](C)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684135 978527848 /nfs/dbraw/zinc/52/78/48/978527848.db2.gz DVDWZGFPWZZTQY-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CNC(=O)[C@H](C)N[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684147 978528362 /nfs/dbraw/zinc/52/83/62/978528362.db2.gz DVDWZGFPWZZTQY-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](N[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1)C(N)=O ZINC001210685033 978528534 /nfs/dbraw/zinc/52/85/34/978528534.db2.gz LUBHJIGIMWZFBB-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646453 978747274 /nfs/dbraw/zinc/74/72/74/978747274.db2.gz SYXKZDOITHHVKX-BPLDGKMQSA-N 1 3 322.453 -0.099 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214643383 978747461 /nfs/dbraw/zinc/74/74/61/978747461.db2.gz OOSNSXJXMZVAKQ-MRVWCRGKSA-N 1 3 308.426 -0.489 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC)C2)CC[N@@H+]1C ZINC001214665548 978748024 /nfs/dbraw/zinc/74/80/24/978748024.db2.gz FPFQBHRTDKMQJA-XJFOESAGSA-N 1 3 310.442 -0.101 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2C[C@@H](C)[C@H](NCC(=O)NC)C2)CC[N@H+]1C ZINC001214665548 978748035 /nfs/dbraw/zinc/74/80/35/978748035.db2.gz FPFQBHRTDKMQJA-XJFOESAGSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CCOCCO ZINC001214847690 978754065 /nfs/dbraw/zinc/75/40/65/978754065.db2.gz OGLRPFZKJIBWRF-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214855729 978754575 /nfs/dbraw/zinc/75/45/75/978754575.db2.gz MCSUOJUOCVMPPW-KYOSRNDESA-N 1 3 310.442 -0.149 20 0 DBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC001215413445 978767350 /nfs/dbraw/zinc/76/73/50/978767350.db2.gz GJQUOCYTLTWROD-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CCOCCO ZINC001215535957 978772853 /nfs/dbraw/zinc/77/28/53/978772853.db2.gz AICDQVYOMJICNM-QLFBSQMISA-N 1 3 313.442 -0.084 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@H]1C ZINC001216053731 978781630 /nfs/dbraw/zinc/78/16/30/978781630.db2.gz WFAOVDXLGBBRKB-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCc1ccnn1C ZINC001216401301 978785333 /nfs/dbraw/zinc/78/53/33/978785333.db2.gz JBHWKRZKNXVJTB-UKRRQHHQSA-N 1 3 323.441 -0.065 20 0 DBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC(=O)N(C)C ZINC001216400906 978785645 /nfs/dbraw/zinc/78/56/45/978785645.db2.gz FBAABTUZUXRXQP-CHWSQXEVSA-N 1 3 314.430 -0.911 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216752911 978791570 /nfs/dbraw/zinc/79/15/70/978791570.db2.gz ZYXCQAASKZYQFV-UMVBOHGHSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216752911 978791574 /nfs/dbraw/zinc/79/15/74/978791574.db2.gz ZYXCQAASKZYQFV-UMVBOHGHSA-N 1 3 322.453 -0.005 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CCO[C@]23CC[NH2+]C3)cc1 ZINC001218137760 978820476 /nfs/dbraw/zinc/82/04/76/978820476.db2.gz RIOWWBKJCZNENX-LZWOXQAQSA-N 1 3 305.378 -0.059 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2C[C@H]3C[NH2+]CCN3C2)cc1 ZINC001218079121 978820958 /nfs/dbraw/zinc/82/09/58/978820958.db2.gz VHIPJDQLBKBNKD-QEJZJMRPSA-N 1 3 304.394 -0.533 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+][C@@H]1C ZINC001218387806 978824415 /nfs/dbraw/zinc/82/44/15/978824415.db2.gz ZLMJVAQXBJGXGY-HTQZYQBOSA-N 1 3 310.354 -0.500 20 0 DBADHO CCOC(=O)c1cc(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)[nH]n1 ZINC001218508826 978824945 /nfs/dbraw/zinc/82/49/45/978824945.db2.gz DSBQJOBQSWETFE-SNVBAGLBSA-N 1 3 324.385 -0.725 20 0 DBADHO Cn1c(NC(=O)[C@H]2C[NH2+]CC23CNC3)nnc1C(F)(F)F ZINC001218514958 978826469 /nfs/dbraw/zinc/82/64/69/978826469.db2.gz GFMKVTNFZXWKNL-ZCFIWIBFSA-N 1 3 304.276 -0.419 20 0 DBADHO CN1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]([NH3+])CN3)nc2)CC1 ZINC001218515227 978826686 /nfs/dbraw/zinc/82/66/86/978826686.db2.gz CZGURVAXYXUNKN-AAEUAGOBSA-N 1 3 304.398 -0.539 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cncc(N2CCOCC2)n1 ZINC001218575735 978834324 /nfs/dbraw/zinc/83/43/24/978834324.db2.gz KKJCRZOZRGTCFO-NSHDSACASA-N 1 3 308.386 -0.292 20 0 DBADHO O=C(Nc1cccnc1OC1COC1)[C@H]1C[NH2+]CC12CNC2 ZINC001218618086 978837172 /nfs/dbraw/zinc/83/71/72/978837172.db2.gz NQVJTLHCFXPJEZ-LLVKDONJSA-N 1 3 304.350 -0.393 20 0 DBADHO Nc1cn(C(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])nc1N ZINC001218627153 978838406 /nfs/dbraw/zinc/83/84/06/978838406.db2.gz QKACRVCRWQVGJS-ONGXEEELSA-N 1 3 323.401 -0.865 20 0 DBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001218711026 978846465 /nfs/dbraw/zinc/84/64/65/978846465.db2.gz KONVCHHOMTWSGF-ONGXEEELSA-N 1 3 307.354 -0.632 20 0 DBADHO O=C(Nc1cc([C@H]2CCCN2)no1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001218713567 978847067 /nfs/dbraw/zinc/84/70/67/978847067.db2.gz SPWNVQVERUVBAU-PELKAZGASA-N 1 3 305.338 -0.484 20 0 DBADHO CCOC(=O)c1nc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cn1C ZINC001218707564 978847203 /nfs/dbraw/zinc/84/72/03/978847203.db2.gz RVSHOGYEEKWKNK-SECBINFHSA-N 1 3 307.354 -0.656 20 0 DBADHO O=C(Nc1cncc(N2CCOCC2)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218746709 978849471 /nfs/dbraw/zinc/84/94/71/978849471.db2.gz NPSDGEYHMYIJGX-AWEZNQCLSA-N 1 3 317.393 -0.334 20 0 DBADHO CCOC(=O)c1ncc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001218757873 978850344 /nfs/dbraw/zinc/85/03/44/978850344.db2.gz YAWVLGQRBVOBHF-MEBBXXQBSA-N 1 3 319.365 -0.209 20 0 DBADHO [NH3+]CCCNCC(=O)Nc1ccccc1C(=O)N1CCNCC1 ZINC001218881812 978857296 /nfs/dbraw/zinc/85/72/96/978857296.db2.gz GWWODJVWFLZPAF-UHFFFAOYSA-N 1 3 319.409 -0.391 20 0 DBADHO Nc1ccc(-c2nc(=O)on2C(=O)[C@@H]2C[NH2+]CC23CNC3)cc1 ZINC001219386398 978929239 /nfs/dbraw/zinc/92/92/39/978929239.db2.gz IXWOLXFMPKZDCQ-NSHDSACASA-N 1 3 315.333 -0.465 20 0 DBADHO Cc1cccn2c(CNC(=O)[C@@H](N)C3CC[NH2+]CC3)nnc12 ZINC001219597618 978975248 /nfs/dbraw/zinc/97/52/48/978975248.db2.gz ORULANGWKXQGTD-ZDUSSCGKSA-N 1 3 302.382 -0.019 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611396 978979118 /nfs/dbraw/zinc/97/91/18/978979118.db2.gz YLQREUBQEKXTRP-HOTUBEGUSA-N 1 3 322.331 -0.265 20 0 DBADHO COCCCN1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643417 978988171 /nfs/dbraw/zinc/98/81/71/978988171.db2.gz SMGIORWXIDPGPK-KFWWJZLASA-N 1 3 311.426 -0.474 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671780 978992587 /nfs/dbraw/zinc/99/25/87/978992587.db2.gz PUJOULPTAUMPCI-RYUDHWBXSA-N 1 3 305.444 -0.215 20 0 DBADHO CN[C@@H](COCc1ccccc1)C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696335 978995012 /nfs/dbraw/zinc/99/50/12/978995012.db2.gz IHTMECBEKNWEJA-AWEZNQCLSA-N 1 3 307.394 -0.368 20 0 DBADHO N[C@]1(C(=O)NCCC2(O)C[NH2+]C2)CCc2cc(F)ccc2C1 ZINC001219696955 978995764 /nfs/dbraw/zinc/99/57/64/978995764.db2.gz NYKBNWZEIWIWLX-MRXNPFEDSA-N 1 3 307.369 -0.148 20 0 DBADHO CN(C(=O)CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)C1CC1 ZINC001219693085 978996183 /nfs/dbraw/zinc/99/61/83/978996183.db2.gz MWAVEIVVOXALLN-CYBMUJFWSA-N 1 3 308.426 -0.012 20 0 DBADHO CN(C(=O)CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)C1CC1 ZINC001219693085 978996188 /nfs/dbraw/zinc/99/61/88/978996188.db2.gz MWAVEIVVOXALLN-CYBMUJFWSA-N 1 3 308.426 -0.012 20 0 DBADHO CS(=O)(=O)c1ccc(CNC(=O)[C@@H](N)CCCC[NH3+])nc1 ZINC001219716550 979000120 /nfs/dbraw/zinc/00/01/20/979000120.db2.gz RUPKDHQWBPBEBG-LBPRGKRZSA-N 1 3 314.411 -0.442 20 0 DBADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001219737343 979002447 /nfs/dbraw/zinc/00/24/47/979002447.db2.gz UBKIKHCLWVBGRU-WWGRRREGSA-N 1 3 309.410 -0.360 20 0 DBADHO NC1(C(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)Cc2ccccc2C1 ZINC001219737003 979003195 /nfs/dbraw/zinc/00/31/95/979003195.db2.gz MMLDZUZTYHIYAI-AWEZNQCLSA-N 1 3 301.390 -0.023 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC1CC2(C1)CC[NH2+]CC2 ZINC001219777182 979013093 /nfs/dbraw/zinc/01/30/93/979013093.db2.gz BFVYULLPLYEBCR-AAEUAGOBSA-N 1 3 308.426 -0.027 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219788938 979014584 /nfs/dbraw/zinc/01/45/84/979014584.db2.gz SRPUVJOMKKPSBK-GXTWGEPZSA-N 1 3 322.409 -0.006 20 0 DBADHO C[C@@]1(C(=O)NC2CCN(C3CC[NH2+]CC3)CC2)COCCN1 ZINC001219796152 979015980 /nfs/dbraw/zinc/01/59/80/979015980.db2.gz ORBJPOYRDAEHTI-INIZCTEOSA-N 1 3 310.442 -0.303 20 0 DBADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1[nH]nc2c1CCNC2 ZINC001219803285 979019295 /nfs/dbraw/zinc/01/92/95/979019295.db2.gz PJBZNKOMJJZFDM-SNVBAGLBSA-N 1 3 305.382 -0.446 20 0 DBADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CNCc2ccnn2C1 ZINC001219831748 979026124 /nfs/dbraw/zinc/02/61/24/979026124.db2.gz WZGMATPYJGOSCW-OXHZDVMGSA-N 1 3 305.382 -0.904 20 0 DBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N[C@@H]1CNCc2ccsc21 ZINC001219825256 979026488 /nfs/dbraw/zinc/02/64/88/979026488.db2.gz GFZINVDMBNGKQK-CHWSQXEVSA-N 1 3 323.466 -0.241 20 0 DBADHO O=C(NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@@H](F)CCN1 ZINC001219834025 979028197 /nfs/dbraw/zinc/02/81/97/979028197.db2.gz NRCVNMOUVFMLCA-UKTARXLSSA-N 1 3 315.389 -0.412 20 0 DBADHO NCc1ccc(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)cn1 ZINC001219844545 979029076 /nfs/dbraw/zinc/02/90/76/979029076.db2.gz NSIFCWMGHNMCFW-WBMJQRKESA-N 1 3 320.393 -0.335 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001219847713 979030462 /nfs/dbraw/zinc/03/04/62/979030462.db2.gz PUJDDKYMJOJAJI-IGQOVBAYSA-N 1 3 309.410 -0.219 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219851978 979032602 /nfs/dbraw/zinc/03/26/02/979032602.db2.gz IWLHWOCNZHSGEI-HTVCTNPSSA-N 1 3 324.425 -0.935 20 0 DBADHO COc1ccc2c(C[C@H](N)C(=O)NCC[NH3+])cc(=O)oc2c1 ZINC001219872556 979036275 /nfs/dbraw/zinc/03/62/75/979036275.db2.gz MFSUPTVWFLFQJI-LBPRGKRZSA-N 1 3 305.334 -0.254 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H](C)C[NH+](C)C)COC1(C)C ZINC001219916240 979042123 /nfs/dbraw/zinc/04/21/23/979042123.db2.gz OQJDZHFJUSXKLB-DCAQKATOSA-N 1 3 300.403 -0.637 20 0 DBADHO C[NH+](C)Cc1cccc(CNC(=O)[C@@H]2COC3(CNC3)CN2)c1 ZINC001219943539 979048777 /nfs/dbraw/zinc/04/87/77/979048777.db2.gz MXFSOZDISWCHLU-HNNXBMFYSA-N 1 3 318.421 -0.305 20 0 DBADHO Cn1c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c(N=O)c(=O)[nH]c1=O ZINC001219984273 979056237 /nfs/dbraw/zinc/05/62/37/979056237.db2.gz BXCPZBWWACULKG-ZETCQYMHSA-N 1 3 310.314 -0.851 20 0 DBADHO N[C@H](C(=O)NC1CC2(C1)CS(=O)(=O)C2)C1CC[NH2+]CC1 ZINC001220143453 979112406 /nfs/dbraw/zinc/11/24/06/979112406.db2.gz ITSUQQDDUNKEEH-NSHDSACASA-N 1 3 301.412 -0.993 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159180 979117875 /nfs/dbraw/zinc/11/78/75/979117875.db2.gz NDJFRLPJKKZQDT-YWPYICTPSA-N 1 3 311.430 -0.199 20 0 DBADHO COCCC[NH+]1CCC(NC(=O)[C@@H](N)Cc2cncn2C)CC1 ZINC001220200240 979134148 /nfs/dbraw/zinc/13/41/48/979134148.db2.gz FCPMBGVSAZGASE-HNNXBMFYSA-N 1 3 323.441 -0.093 20 0 DBADHO CC[C@H](CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)OC ZINC001220237710 979141887 /nfs/dbraw/zinc/14/18/87/979141887.db2.gz BSBVSTBFSFNHHJ-MCIONIFRSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@@H](CN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1)OC ZINC001220237711 979142772 /nfs/dbraw/zinc/14/27/72/979142772.db2.gz BSBVSTBFSFNHHJ-MJBXVCDLSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N(CC[NH3+])c1cccnc1 ZINC001220263703 979148220 /nfs/dbraw/zinc/14/82/20/979148220.db2.gz UJENLKGZUIZKIV-FZMZJTMJSA-N 1 3 307.398 -0.137 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@@H]1O ZINC001220276580 979151630 /nfs/dbraw/zinc/15/16/30/979151630.db2.gz FTRPLNGITUWEJB-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO N[C@@H](C(=O)NCCNC(=O)c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001220286686 979156787 /nfs/dbraw/zinc/15/67/87/979156787.db2.gz ONSHWJYQENNNJE-CQSZACIVSA-N 1 3 322.384 -0.001 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220318796 979167643 /nfs/dbraw/zinc/16/76/43/979167643.db2.gz BHRPOKWCECWQOB-RSUWNVLCSA-N 1 3 324.425 -0.648 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CO[C@@]3(C2)CCC[NH2+]C3)C1=O ZINC001220321045 979167746 /nfs/dbraw/zinc/16/77/46/979167746.db2.gz RRDVSGKQADNLGW-HEHGZKQESA-N 1 3 324.425 -0.647 20 0 DBADHO O=C(N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1[nH]nc2c1CCNC2 ZINC001220323209 979170631 /nfs/dbraw/zinc/17/06/31/979170631.db2.gz DJXDHRPDFWBYQR-ZUZCIYMTSA-N 1 3 305.382 -0.304 20 0 DBADHO O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)c1[nH]nc2c1CNCC2 ZINC001220323666 979171075 /nfs/dbraw/zinc/17/10/75/979171075.db2.gz JYYRBNAOXGEALW-BMIGLBTASA-N 1 3 305.382 -0.304 20 0 DBADHO CCOC(=O)c1cccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001220400496 979188197 /nfs/dbraw/zinc/18/81/97/979188197.db2.gz FNRULDCQZKDYMB-GFCCVEGCSA-N 1 3 318.377 -0.317 20 0 DBADHO O=C(NC[C@H](CO)Cc1ccccc1)[C@H]1C[NH2+]CC12CNC2 ZINC001220405845 979191665 /nfs/dbraw/zinc/19/16/65/979191665.db2.gz DVXOZTFCIBDWHO-HUUCEWRRSA-N 1 3 303.406 -0.237 20 0 DBADHO CC(C)[C@H](NC(=O)[C@H](N)CCC[NH3+])C(=O)N1CCOCC1 ZINC001220453999 979203724 /nfs/dbraw/zinc/20/37/24/979203724.db2.gz OEINLFHKJKSEIL-NEPJUHHUSA-N 1 3 300.403 -0.948 20 0 DBADHO CCOC(=O)C1=C(NC(=O)C[C@]2(O)CCC[NH2+]C2)CCNC1 ZINC001220521826 979223229 /nfs/dbraw/zinc/22/32/29/979223229.db2.gz QBUUCCSVTWHVDT-OAHLLOKOSA-N 1 3 311.382 -0.582 20 0 DBADHO N[C@H](C(=O)NCCOCCOCC[NH3+])C1Cc2ccccc2C1 ZINC001220519694 979224618 /nfs/dbraw/zinc/22/46/18/979224618.db2.gz YICXBYHCWJUNKF-INIZCTEOSA-N 1 3 321.421 -0.163 20 0 DBADHO [NH3+]CCOCCOCCNC(=O)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001220519082 979225049 /nfs/dbraw/zinc/22/50/49/979225049.db2.gz AHJMWOPVBPSIMW-ZFWWWQNUSA-N 1 3 315.414 -0.747 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@H]32)CCNC1 ZINC001220523312 979228314 /nfs/dbraw/zinc/22/83/14/979228314.db2.gz MAROWEBDOWDQSA-ZKYQVNSYSA-N 1 3 323.393 -0.462 20 0 DBADHO C[C@H](NC(=O)[C@@H](N)CSCC[NH3+])[C@H](O)c1cccc(O)c1 ZINC001220548213 979232870 /nfs/dbraw/zinc/23/28/70/979232870.db2.gz BFHDWJNUJVWYDJ-XDTLVQLUSA-N 1 3 313.423 -0.051 20 0 DBADHO CC(C)(CC(=O)N1CCCC1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220686979 979268384 /nfs/dbraw/zinc/26/83/84/979268384.db2.gz AUGQWVRTARDPOJ-LBPRGKRZSA-N 1 3 308.426 -0.297 20 0 DBADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001220716697 979269347 /nfs/dbraw/zinc/26/93/47/979269347.db2.gz OJNHUTFGVKRBRA-FVCCEPFGSA-N 1 3 311.430 -0.106 20 0 DBADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001220716697 979269355 /nfs/dbraw/zinc/26/93/55/979269355.db2.gz OJNHUTFGVKRBRA-FVCCEPFGSA-N 1 3 311.430 -0.106 20 0 DBADHO C[N@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001220716955 979272711 /nfs/dbraw/zinc/27/27/11/979272711.db2.gz VQRRAUYSXOANOD-FQUUOJAGSA-N 1 3 308.426 -0.552 20 0 DBADHO C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H](NC(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001220716955 979272719 /nfs/dbraw/zinc/27/27/19/979272719.db2.gz VQRRAUYSXOANOD-FQUUOJAGSA-N 1 3 308.426 -0.552 20 0 DBADHO COCCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755602 979277597 /nfs/dbraw/zinc/27/75/97/979277597.db2.gz RRTSYHSDPIZDST-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO COCCCCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755602 979277609 /nfs/dbraw/zinc/27/76/09/979277609.db2.gz RRTSYHSDPIZDST-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220790091 979284583 /nfs/dbraw/zinc/28/45/83/979284583.db2.gz OLFNUMNLFPZGJX-VTPLQMEGSA-N 1 3 319.409 -0.300 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799491 979288228 /nfs/dbraw/zinc/28/82/28/979288228.db2.gz BPDQAPKGNUTWNX-IVZWLZJFSA-N 1 3 305.304 -0.064 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O ZINC001220817415 979296412 /nfs/dbraw/zinc/29/64/12/979296412.db2.gz VWGSPGVBIXRVDM-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CN(CCCOC)C[C@@H]1O ZINC001220817415 979296427 /nfs/dbraw/zinc/29/64/27/979296427.db2.gz VWGSPGVBIXRVDM-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO COC(=O)c1cncc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001220843268 979303301 /nfs/dbraw/zinc/30/33/01/979303301.db2.gz PPGFBXDHBCQWGF-CYBMUJFWSA-N 1 3 306.366 -0.189 20 0 DBADHO COC[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)[C@@H](O)c1ccccc1 ZINC001220865729 979312041 /nfs/dbraw/zinc/31/20/41/979312041.db2.gz IYYPNDROQNAJJA-KKUMJFAQSA-N 1 3 319.405 -0.340 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220915069 979320842 /nfs/dbraw/zinc/32/08/42/979320842.db2.gz LMJGQBVAUAMXEF-KBPBESRZSA-N 1 3 323.466 -0.209 20 0 DBADHO NC1(C(=O)NCc2ccccc2)CCN(C(=O)[C@@H]2CC[NH2+]2)CC1 ZINC001220969335 979338842 /nfs/dbraw/zinc/33/88/42/979338842.db2.gz XSLMBGNZHAAIPO-AWEZNQCLSA-N 1 3 316.405 -0.015 20 0 DBADHO COCC(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001221007069 979348785 /nfs/dbraw/zinc/34/87/85/979348785.db2.gz ULTZKXHSFSTVKS-SRVKXCTJSA-N 1 3 300.403 -0.757 20 0 DBADHO COc1cc(C)[nH]c(=O)c1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221016685 979349050 /nfs/dbraw/zinc/34/90/50/979349050.db2.gz ZDWSJCCVRHJGLS-LLVKDONJSA-N 1 3 306.366 -0.471 20 0 DBADHO COCCC1(NC(=O)[C@@H](N)CCC[NH3+])CCS(=O)(=O)CC1 ZINC001221025881 979351803 /nfs/dbraw/zinc/35/18/03/979351803.db2.gz KZDNQYKMZAWTEU-NSHDSACASA-N 1 3 321.443 -0.847 20 0 DBADHO COCCC1([NH3+])CCN(C(=O)[C@@H](N)Cc2cncn2C)CC1 ZINC001221134086 979369506 /nfs/dbraw/zinc/36/95/06/979369506.db2.gz KAYAZMMDKZXJAT-ZDUSSCGKSA-N 1 3 309.414 -0.354 20 0 DBADHO COCCC1([NH3+])CCN(C(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001221134127 979369939 /nfs/dbraw/zinc/36/99/39/979369939.db2.gz MCDLZPRNJLEIBE-LLVKDONJSA-N 1 3 315.418 -0.881 20 0 DBADHO COC(=O)[C@@](C)(NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(F)(F)F ZINC001221221559 979386231 /nfs/dbraw/zinc/38/62/31/979386231.db2.gz QOGQABBQDQWRIB-GZMMTYOYSA-N 1 3 311.304 -0.077 20 0 DBADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@H](N)CCC[NH3+] ZINC001221257161 979390942 /nfs/dbraw/zinc/39/09/42/979390942.db2.gz ZWUNLXUKYVNGIA-NEPJUHHUSA-N 1 3 311.386 -0.923 20 0 DBADHO O=C(NCCNC(=O)[C@H]1C[NH2+]CC12CNC2)c1cccs1 ZINC001221309243 979399065 /nfs/dbraw/zinc/39/90/65/979399065.db2.gz MMJKYXQZLDBDCF-SNVBAGLBSA-N 1 3 308.407 -0.597 20 0 DBADHO N=C(NC(=O)[C@H]1C[NH2+]CC12CNC2)c1cnc2ccc(F)cn21 ZINC001221322852 979403045 /nfs/dbraw/zinc/40/30/45/979403045.db2.gz PBEOKOWKVVHGBQ-SNVBAGLBSA-N 1 3 316.340 -0.276 20 0 DBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCCCC[NH3+] ZINC001221344357 979407758 /nfs/dbraw/zinc/40/77/58/979407758.db2.gz YIVRSUVBSJDMDN-NSHDSACASA-N 1 3 308.386 -0.831 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc(-n2ccnn2)cc1 ZINC001221340325 979409268 /nfs/dbraw/zinc/40/92/68/979409268.db2.gz VHBZDGWEPAPXDS-ZDUSSCGKSA-N 1 3 320.422 -0.097 20 0 DBADHO C[C@@]1(C(=O)N2CCC(C3=CC=C(N)CN3)CC2)CC[NH2+]C[C@H]1O ZINC001221391629 979410698 /nfs/dbraw/zinc/41/06/98/979410698.db2.gz OEHSWENUEAVAKU-NVXWUHKLSA-N 1 3 320.437 -0.085 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)COCCOCC[NH3+])CC2)NC1 ZINC001221391969 979410788 /nfs/dbraw/zinc/41/07/88/979410788.db2.gz PZMCURIKSBOYBN-UHFFFAOYSA-N 1 3 324.425 -0.453 20 0 DBADHO C[C@]1(C(=O)N2CCC(C3=CC=C(N)CN3)CC2)CC[NH2+]C[C@@H]1O ZINC001221391630 979410816 /nfs/dbraw/zinc/41/08/16/979410816.db2.gz OEHSWENUEAVAKU-RDJZCZTQSA-N 1 3 320.437 -0.085 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]C[C@H](O)C3)CC2)NC1 ZINC001221392656 979411318 /nfs/dbraw/zinc/41/13/18/979411318.db2.gz YTFMPOMNPGMCRD-GXTWGEPZSA-N 1 3 306.410 -0.475 20 0 DBADHO [NH3+]CCNC(=O)/C=C/C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221396769 979413448 /nfs/dbraw/zinc/41/34/48/979413448.db2.gz AIGCTLURTXVDPH-GJBLVYBDSA-N 1 3 302.378 -0.552 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221397070 979415471 /nfs/dbraw/zinc/41/54/71/979415471.db2.gz DWIVRBAHWYQEKU-HLLBOEOZSA-N 1 3 300.406 -0.231 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221397221 979416305 /nfs/dbraw/zinc/41/63/05/979416305.db2.gz HVJRLTUZPLUBMB-YHUYYLMFSA-N 1 3 300.406 -0.233 20 0 DBADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@H](N)CCCNC(N)=O)c1 ZINC001221406502 979419497 /nfs/dbraw/zinc/41/94/97/979419497.db2.gz RWUDEBYYHMMWHX-OLZOCXBDSA-N 1 3 323.397 -0.413 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COC)C[C@H]21 ZINC001221920370 979478124 /nfs/dbraw/zinc/47/81/24/979478124.db2.gz BUTVGTGCGYGZAY-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@H](O)COC)C[C@H]21 ZINC001221920370 979478131 /nfs/dbraw/zinc/47/81/31/979478131.db2.gz BUTVGTGCGYGZAY-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO O=C1CN(C[C@@H]2Cc3ccccc3CN2)[C@]2(CC[NH2+]C2)CN1 ZINC001222373994 979509508 /nfs/dbraw/zinc/50/95/08/979509508.db2.gz ODAMUJQSMZZVMX-RDJZCZTQSA-N 1 3 300.406 -0.135 20 0 DBADHO O=C1CN(Cc2nc3c(s2)CNCC3)CC2(CC[NH2+]CC2)N1 ZINC001222515730 979517235 /nfs/dbraw/zinc/51/72/35/979517235.db2.gz ZHCLCEDDHJYFIE-UHFFFAOYSA-N 1 3 321.450 -0.157 20 0 DBADHO CN(C)C1(C(=O)NC[C@H]2C[C@H]([NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001488831808 1014594445 /nfs/dbraw/zinc/59/44/45/1014594445.db2.gz PBGFHBDETXEGFH-JHJVBQTASA-N 1 3 308.426 -0.156 20 0 DBADHO CC[NH+]1CCC(N2CCC(C(=O)NOCC(N)=O)CC2)CC1 ZINC001327095766 979792911 /nfs/dbraw/zinc/79/29/11/979792911.db2.gz DTWOSUCJPXTFCI-UHFFFAOYSA-N 1 3 312.414 -0.284 20 0 DBADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC001344771790 980009500 /nfs/dbraw/zinc/00/95/00/980009500.db2.gz AAGAAQHZKVRNJG-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)CCC1 ZINC001347072906 980195123 /nfs/dbraw/zinc/19/51/23/980195123.db2.gz DAOBNUMIACATSX-CYBMUJFWSA-N 1 3 324.425 -0.647 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC001349807780 980511617 /nfs/dbraw/zinc/51/16/17/980511617.db2.gz IQJVQOGKRUEJTM-GXFFZTMASA-N 1 3 302.444 -0.607 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC001350334103 980562237 /nfs/dbraw/zinc/56/22/37/980562237.db2.gz RVQDISKCHQHAHN-ZIAGYGMSSA-N 1 3 324.425 -0.791 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC001353131152 980781072 /nfs/dbraw/zinc/78/10/72/980781072.db2.gz GVFIKKPSVBMBOA-ZDUSSCGKSA-N 1 3 314.430 -0.732 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H]1CC[NH3+] ZINC001353942557 980826396 /nfs/dbraw/zinc/82/63/96/980826396.db2.gz FXTUHVJAGXNZGE-YIYPIFLZSA-N 1 3 308.426 -0.408 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(CCO)CCO)C2)CC[N@@H+]1C ZINC001489161710 1014694099 /nfs/dbraw/zinc/69/40/99/1014694099.db2.gz YQALDCSVLNGGAH-QLFBSQMISA-N 1 3 313.442 -0.396 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](N(CCO)CCO)C2)CC[N@H+]1C ZINC001489161710 1014694102 /nfs/dbraw/zinc/69/41/02/1014694102.db2.gz YQALDCSVLNGGAH-QLFBSQMISA-N 1 3 313.442 -0.396 20 0 DBADHO C[NH2+]CCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001357518933 981065934 /nfs/dbraw/zinc/06/59/34/981065934.db2.gz PAGCZLAFTIAVNO-KGLIPLIRSA-N 1 3 314.430 -0.537 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@]3(O)CCOC3)CC2)CC1 ZINC001362089532 981415655 /nfs/dbraw/zinc/41/56/55/981415655.db2.gz VXDUKLCOIWWSAX-MRXNPFEDSA-N 1 3 311.426 -0.187 20 0 DBADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001530644087 1014760901 /nfs/dbraw/zinc/76/09/01/1014760901.db2.gz FSNNFJYBNCZQIU-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001530644087 1014760914 /nfs/dbraw/zinc/76/09/14/1014760914.db2.gz FSNNFJYBNCZQIU-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001530769890 1014796809 /nfs/dbraw/zinc/79/68/09/1014796809.db2.gz QBXUKTLSXSQVDS-CQSZACIVSA-N 1 3 310.442 -0.146 20 0 DBADHO CCCN(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001530769890 1014796820 /nfs/dbraw/zinc/79/68/20/1014796820.db2.gz QBXUKTLSXSQVDS-CQSZACIVSA-N 1 3 310.442 -0.146 20 0 DBADHO CN1C[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C(C)(C)C1 ZINC001363618783 982539101 /nfs/dbraw/zinc/53/91/01/982539101.db2.gz PVWXFALRIMCSJI-STQMWFEESA-N 1 3 310.442 -0.147 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)n1 ZINC001363678151 982568644 /nfs/dbraw/zinc/56/86/44/982568644.db2.gz MZMRFXCDNYEGPW-GFCCVEGCSA-N 1 3 307.398 -0.352 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC(N[C@@H]2CCOC2)C1 ZINC001363686813 982573343 /nfs/dbraw/zinc/57/33/43/982573343.db2.gz YIFAROQXJJZYBW-CYBMUJFWSA-N 1 3 309.410 -0.314 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC(N[C@H]2CCOC2)C1 ZINC001363686819 982573379 /nfs/dbraw/zinc/57/33/79/982573379.db2.gz YIFAROQXJJZYBW-ZDUSSCGKSA-N 1 3 309.410 -0.314 20 0 DBADHO CN1CCC([N@@H+]2CC[C@H](NCc3cn(CC(N)=O)nn3)C2)CC1 ZINC001363870956 982683670 /nfs/dbraw/zinc/68/36/70/982683670.db2.gz YZBXPVKMJMYAPB-LBPRGKRZSA-N 1 3 321.429 -0.979 20 0 DBADHO CN1CCC([N@H+]2CC[C@H](NCc3cn(CC(N)=O)nn3)C2)CC1 ZINC001363870956 982683691 /nfs/dbraw/zinc/68/36/91/982683691.db2.gz YZBXPVKMJMYAPB-LBPRGKRZSA-N 1 3 321.429 -0.979 20 0 DBADHO CCN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001490356389 1014940160 /nfs/dbraw/zinc/94/01/60/1014940160.db2.gz GZYDKHXFBURWME-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001490356389 1014940169 /nfs/dbraw/zinc/94/01/69/1014940169.db2.gz GZYDKHXFBURWME-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)C[C@H](C)O)C1 ZINC001365879496 983574978 /nfs/dbraw/zinc/57/49/78/983574978.db2.gz XLZNHVFYHIKJSG-LSDHHAIUSA-N 1 3 315.458 -0.006 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](CCO)C[C@H](C)O)C1 ZINC001365879496 983575002 /nfs/dbraw/zinc/57/50/02/983575002.db2.gz XLZNHVFYHIKJSG-LSDHHAIUSA-N 1 3 315.458 -0.006 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C[C@@H](O)Cn1cccn1 ZINC001365896164 983585714 /nfs/dbraw/zinc/58/57/14/983585714.db2.gz SZDCNPIDHIJPBF-KFWWJZLASA-N 1 3 323.441 -0.225 20 0 DBADHO CN(CCO)CCN(C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC001365912343 983591778 /nfs/dbraw/zinc/59/17/78/983591778.db2.gz AAYIOHGTOGLWFO-UHFFFAOYSA-N 1 3 312.418 -0.168 20 0 DBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001366103950 983697370 /nfs/dbraw/zinc/69/73/70/983697370.db2.gz SSLWBZMGULSSOE-OCCSQVGLSA-N 1 3 308.426 -0.060 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366119413 983706106 /nfs/dbraw/zinc/70/61/06/983706106.db2.gz WMSCITFWRDXEGE-XUXIUFHCSA-N 1 3 301.431 -0.183 20 0 DBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366276602 983770224 /nfs/dbraw/zinc/77/02/24/983770224.db2.gz UVCFLNAPEVBANL-JSGCOSHPSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001366291083 983782820 /nfs/dbraw/zinc/78/28/20/983782820.db2.gz VOKJFCVQUKHOKQ-VHSXEESVSA-N 1 3 313.402 -0.852 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001366353259 983809960 /nfs/dbraw/zinc/80/99/60/983809960.db2.gz OWCVRWCPWUVTCN-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001366360498 983810599 /nfs/dbraw/zinc/81/05/99/983810599.db2.gz USCDABWVQHZAII-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001366360498 983810601 /nfs/dbraw/zinc/81/06/01/983810601.db2.gz USCDABWVQHZAII-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001366392122 983822857 /nfs/dbraw/zinc/82/28/57/983822857.db2.gz WUEDHHUHOOZJAW-LSDHHAIUSA-N 1 3 323.441 -0.225 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366405355 983826257 /nfs/dbraw/zinc/82/62/57/983826257.db2.gz SZKFFOKFPPVMMQ-KBPBESRZSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H](O)CN1CCN(CCCNC(=O)CC[NH+](C)C)CC1 ZINC001490475363 1014987694 /nfs/dbraw/zinc/98/76/94/1014987694.db2.gz TWAXRYAWCCKFLC-CQSZACIVSA-N 1 3 300.447 -0.557 20 0 DBADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001366855313 984025127 /nfs/dbraw/zinc/02/51/27/984025127.db2.gz TYMFXEHVOAIBSE-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001366855313 984025136 /nfs/dbraw/zinc/02/51/36/984025136.db2.gz TYMFXEHVOAIBSE-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)COC)N(C)C ZINC001367219690 984215794 /nfs/dbraw/zinc/21/57/94/984215794.db2.gz HBRQDAJIPUBINU-MCIONIFRSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN(C)C(C)C ZINC001367226733 984221509 /nfs/dbraw/zinc/22/15/09/984221509.db2.gz BXXCKURFCKOBQT-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001367253734 984233510 /nfs/dbraw/zinc/23/35/10/984233510.db2.gz QWGCLTOVNJOAPW-PWSUYJOCSA-N 1 3 315.418 -0.891 20 0 DBADHO C[C@@H](NC[C@@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001367393716 984297586 /nfs/dbraw/zinc/29/75/86/984297586.db2.gz RMPBJVYZWILCLV-VXGBXAGGSA-N 1 3 324.429 -0.631 20 0 DBADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001367558415 984349707 /nfs/dbraw/zinc/34/97/07/984349707.db2.gz ZDYAYKKKDNNBNI-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367588043 984390397 /nfs/dbraw/zinc/39/03/97/984390397.db2.gz ZDHUTBLIBQJISQ-STQMWFEESA-N 1 3 314.430 -0.938 20 0 DBADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001367588043 984390405 /nfs/dbraw/zinc/39/04/05/984390405.db2.gz ZDHUTBLIBQJISQ-STQMWFEESA-N 1 3 314.430 -0.938 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCN1C(C)C ZINC001367588043 984390414 /nfs/dbraw/zinc/39/04/14/984390414.db2.gz ZDHUTBLIBQJISQ-STQMWFEESA-N 1 3 314.430 -0.938 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCc1cnn(C)c1)[NH+](C)C ZINC001367624252 984484611 /nfs/dbraw/zinc/48/46/11/984484611.db2.gz QGYQERLRLBYWQT-ZIAGYGMSSA-N 1 3 311.430 -0.427 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCc1cnn(C)c1)[NH+](C)C ZINC001367624239 984485490 /nfs/dbraw/zinc/48/54/90/984485490.db2.gz QGYQERLRLBYWQT-KBPBESRZSA-N 1 3 311.430 -0.427 20 0 DBADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001367627408 984487295 /nfs/dbraw/zinc/48/72/95/984487295.db2.gz VPCSIWQJOUOSDN-OLZOCXBDSA-N 1 3 314.430 -0.936 20 0 DBADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367627409 984491034 /nfs/dbraw/zinc/49/10/34/984491034.db2.gz VPCSIWQJOUOSDN-QWHCGFSZSA-N 1 3 314.430 -0.936 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H](O)CNCC(N)=O)[NH+]1CCCCC1 ZINC001367634370 984495939 /nfs/dbraw/zinc/49/59/39/984495939.db2.gz YJVLHQOVFCVZRX-OCCSQVGLSA-N 1 3 314.430 -0.951 20 0 DBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001367698851 984547133 /nfs/dbraw/zinc/54/71/33/984547133.db2.gz ROZFLNWSMQFDMH-YPMHNXCESA-N 1 3 322.413 -0.959 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2nc(=O)n(C)[nH]2)CC[N@@H+]1C ZINC001367733184 984576730 /nfs/dbraw/zinc/57/67/30/984576730.db2.gz XLFIIWFTIUATEG-SDDRHHMPSA-N 1 3 324.429 -0.567 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CNCc2nc(=O)n(C)[nH]2)CC[N@H+]1C ZINC001367733184 984576734 /nfs/dbraw/zinc/57/67/34/984576734.db2.gz XLFIIWFTIUATEG-SDDRHHMPSA-N 1 3 324.429 -0.567 20 0 DBADHO C[C@@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001367734720 984576958 /nfs/dbraw/zinc/57/69/58/984576958.db2.gz OMVGFCYNKNOJHY-QWRGUYRKSA-N 1 3 310.402 -0.974 20 0 DBADHO COC[C@H](O)C[N@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367809468 984641682 /nfs/dbraw/zinc/64/16/82/984641682.db2.gz VICPIQXOJTUFON-QWHCGFSZSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)C[N@@H+](C)C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367809468 984641689 /nfs/dbraw/zinc/64/16/89/984641689.db2.gz VICPIQXOJTUFON-QWHCGFSZSA-N 1 3 301.431 -0.086 20 0 DBADHO C[C@@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001368104104 984874338 /nfs/dbraw/zinc/87/43/38/984874338.db2.gz AOAWLTHDOGGBCV-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO CCCN(C)CC(=O)NCC1([NH2+]CC(=O)NC)CCOCC1 ZINC001368241422 984941717 /nfs/dbraw/zinc/94/17/17/984941717.db2.gz QPKRGKNOWFGUHK-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2C1)N(C)C ZINC001368362053 985118531 /nfs/dbraw/zinc/11/85/31/985118531.db2.gz FERHMPJIXWJZHR-BARDWOONSA-N 1 3 313.442 -0.276 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@@H]2C1)N(C)C ZINC001368362053 985118537 /nfs/dbraw/zinc/11/85/37/985118537.db2.gz FERHMPJIXWJZHR-BARDWOONSA-N 1 3 313.442 -0.276 20 0 DBADHO Cn1nncc1CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490729704 1015098790 /nfs/dbraw/zinc/09/87/90/1015098790.db2.gz WKHIGFDMQXLYBK-AWEZNQCLSA-N 1 3 318.425 -0.105 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001368582629 985291845 /nfs/dbraw/zinc/29/18/45/985291845.db2.gz KOZNGJLYDIAKMX-LBPRGKRZSA-N 1 3 312.414 -0.966 20 0 DBADHO CC[C@H](C(=O)NC1(C[NH2+]C[C@H](C)O)CCOCC1)N(C)C ZINC001368636093 985321530 /nfs/dbraw/zinc/32/15/30/985321530.db2.gz HIWZASFWLYJYHN-QWHCGFSZSA-N 1 3 301.431 -0.038 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001368881619 985534870 /nfs/dbraw/zinc/53/48/70/985534870.db2.gz PRRQHDNHPZOAGV-RYUDHWBXSA-N 1 3 324.429 -0.713 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C1C[NH+](C[C@@H](O)COC)C1)N(C)C ZINC001369094789 985720325 /nfs/dbraw/zinc/72/03/25/985720325.db2.gz PWSINUYDHBSVAM-BNOWGMLFSA-N 1 3 301.431 -0.230 20 0 DBADHO COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001369097061 985720656 /nfs/dbraw/zinc/72/06/56/985720656.db2.gz PCSVQPZEFHASGD-TZMCWYRMSA-N 1 3 301.431 -0.230 20 0 DBADHO Cc1nc(CN[C@@H](C)[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001369144278 985763271 /nfs/dbraw/zinc/76/32/71/985763271.db2.gz BPOLLIQJRBZOHH-AAEUAGOBSA-N 1 3 324.429 -0.230 20 0 DBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001369182859 985801060 /nfs/dbraw/zinc/80/10/60/985801060.db2.gz VOIPVBSWCYPTQN-AAVRWANBSA-N 1 3 310.442 -0.055 20 0 DBADHO C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001369280361 985840848 /nfs/dbraw/zinc/84/08/48/985840848.db2.gz DOKXIDRWZFLHMC-NEPJUHHUSA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)N[C@H](C)C(N)=O ZINC001369280366 985841435 /nfs/dbraw/zinc/84/14/35/985841435.db2.gz DOKXIDRWZFLHMC-VXGBXAGGSA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCCC1 ZINC001369306066 985853978 /nfs/dbraw/zinc/85/39/78/985853978.db2.gz OVVQNEJYDYRIHB-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCCC1 ZINC001369306066 985853983 /nfs/dbraw/zinc/85/39/83/985853983.db2.gz OVVQNEJYDYRIHB-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001369367765 985990048 /nfs/dbraw/zinc/99/00/48/985990048.db2.gz VTPJMCGUJGLUAR-KGLIPLIRSA-N 1 3 324.425 -0.708 20 0 DBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369473335 986167626 /nfs/dbraw/zinc/16/76/26/986167626.db2.gz QBEYGDMXFZFKCG-OLZOCXBDSA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369473335 986167643 /nfs/dbraw/zinc/16/76/43/986167643.db2.gz QBEYGDMXFZFKCG-OLZOCXBDSA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](O)CN(C)CCO)CC1 ZINC001369518037 986268080 /nfs/dbraw/zinc/26/80/80/986268080.db2.gz POTAMFMAKKVSAE-OAHLLOKOSA-N 1 3 315.458 -0.150 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](O)CN(C)CCO)CC1 ZINC001369518034 986269048 /nfs/dbraw/zinc/26/90/48/986269048.db2.gz POTAMFMAKKVSAE-HNNXBMFYSA-N 1 3 315.458 -0.150 20 0 DBADHO CN(C)C(=O)CN[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001370210658 986647455 /nfs/dbraw/zinc/64/74/55/986647455.db2.gz DLQUGYULTCDMDB-CYBMUJFWSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001370407165 986726537 /nfs/dbraw/zinc/72/65/37/986726537.db2.gz ZPGYVUFXVSJTIJ-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)N[C@H]1CCNC1=O ZINC001371379472 987330970 /nfs/dbraw/zinc/33/09/70/987330970.db2.gz QMVXHMADFGTXEW-YPMHNXCESA-N 1 3 322.413 -0.959 20 0 DBADHO CN(CCN[C@H]1CCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001371527976 987398449 /nfs/dbraw/zinc/39/84/49/987398449.db2.gz IKJVGKMSPKRDJT-LBPRGKRZSA-N 1 3 320.459 -0.980 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001371615743 987442550 /nfs/dbraw/zinc/44/25/50/987442550.db2.gz NPDBSXDLWNUYON-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CC(=O)N(C)C)C2)C1 ZINC001371615760 987444224 /nfs/dbraw/zinc/44/42/24/987444224.db2.gz NPDBSXDLWNUYON-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001372181435 987669447 /nfs/dbraw/zinc/66/94/47/987669447.db2.gz FCJWJIDCXVELMG-GJZGRUSLSA-N 1 3 323.441 -0.366 20 0 DBADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C[C@H](O)Cn1cccn1 ZINC001372181435 987669451 /nfs/dbraw/zinc/66/94/51/987669451.db2.gz FCJWJIDCXVELMG-GJZGRUSLSA-N 1 3 323.441 -0.366 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)C2(C[NH+](C)C)CC2)C1=O ZINC001372941965 987983731 /nfs/dbraw/zinc/98/37/31/987983731.db2.gz DRHLMZOYJDJFBT-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@@H]1CCNC1=O ZINC001373294890 988208706 /nfs/dbraw/zinc/20/87/06/988208706.db2.gz SHVRVJJWSYKURV-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)[C@H]1CCNC1=O ZINC001373294886 988209736 /nfs/dbraw/zinc/20/97/36/988209736.db2.gz SHVRVJJWSYKURV-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001373571721 988457670 /nfs/dbraw/zinc/45/76/70/988457670.db2.gz AUJASIOPKAKDMA-GFCCVEGCSA-N 1 3 307.398 -0.131 20 0 DBADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001373571721 988457679 /nfs/dbraw/zinc/45/76/79/988457679.db2.gz AUJASIOPKAKDMA-GFCCVEGCSA-N 1 3 307.398 -0.131 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373576476 988461084 /nfs/dbraw/zinc/46/10/84/988461084.db2.gz MFJYSAVTSVPHMN-CQSZACIVSA-N 1 3 322.453 -0.001 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491477050 1015442872 /nfs/dbraw/zinc/44/28/72/1015442872.db2.gz FQOQEHUCUXAEKH-SNVBAGLBSA-N 1 3 313.402 -0.979 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001374661130 989105642 /nfs/dbraw/zinc/10/56/42/989105642.db2.gz ZSCDWXVRQTWLFC-RYUDHWBXSA-N 1 3 316.446 -0.692 20 0 DBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)[C@H]1CCCN1C ZINC001374722764 989170006 /nfs/dbraw/zinc/17/00/06/989170006.db2.gz QWOXROZJLPEKAA-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO CC(C)[C@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001374729153 989175207 /nfs/dbraw/zinc/17/52/07/989175207.db2.gz WECLPURTYXNNRD-GXTWGEPZSA-N 1 3 310.442 -0.149 20 0 DBADHO CC(C)[C@H](C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001374729153 989175213 /nfs/dbraw/zinc/17/52/13/989175213.db2.gz WECLPURTYXNNRD-GXTWGEPZSA-N 1 3 310.442 -0.149 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001374777180 989206302 /nfs/dbraw/zinc/20/63/02/989206302.db2.gz QLFZPVJHEGJPBS-OPRDCNLKSA-N 1 3 301.391 -0.996 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001375221743 989495559 /nfs/dbraw/zinc/49/55/59/989495559.db2.gz CUJOWHPYXYHFNW-CABCVRRESA-N 1 3 322.453 -0.051 20 0 DBADHO O=C(CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)N1CCC1 ZINC001375275359 989523662 /nfs/dbraw/zinc/52/36/62/989523662.db2.gz XQXPVESWZQVDSO-AWEZNQCLSA-N 1 3 320.437 -0.201 20 0 DBADHO O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001375420510 989594004 /nfs/dbraw/zinc/59/40/04/989594004.db2.gz KOFGVFXUKGUGPC-ZIAGYGMSSA-N 1 3 320.437 -0.155 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001375511067 989638984 /nfs/dbraw/zinc/63/89/84/989638984.db2.gz LRAOAIKTNDHOHK-SYQHCUMBSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N(C)C ZINC001376336488 990023474 /nfs/dbraw/zinc/02/34/74/990023474.db2.gz ICVNVKKEABUBML-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001376366551 990036507 /nfs/dbraw/zinc/03/65/07/990036507.db2.gz NBNZYMGQANOLJH-RYUDHWBXSA-N 1 3 319.409 -0.085 20 0 DBADHO CC[C@H](C(=O)NCCN1CCC([NH2+]C[C@@H](C)O)CC1)N(C)C ZINC001376427467 990058540 /nfs/dbraw/zinc/05/85/40/990058540.db2.gz VYMCVXFBKVLAKS-UKRRQHHQSA-N 1 3 314.474 -0.122 20 0 DBADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001376821990 990334294 /nfs/dbraw/zinc/33/42/94/990334294.db2.gz SCFYDCCTOWBXDZ-VXGBXAGGSA-N 1 3 324.429 -0.713 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001376857783 990354817 /nfs/dbraw/zinc/35/48/17/990354817.db2.gz DEZDCWPQHQXQGV-STQMWFEESA-N 1 3 312.414 -0.968 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001376940205 990395114 /nfs/dbraw/zinc/39/51/14/990395114.db2.gz LNMDXGMIAXWISV-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001377072403 990435598 /nfs/dbraw/zinc/43/55/98/990435598.db2.gz ZZWGUOSGJMRRKS-MNOVXSKESA-N 1 3 313.402 -0.993 20 0 DBADHO CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001377105644 990442707 /nfs/dbraw/zinc/44/27/07/990442707.db2.gz SCLSFTBTTKSBOW-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001491684543 1015568460 /nfs/dbraw/zinc/56/84/60/1015568460.db2.gz WLWRXTWNASKUIG-WDEREUQCSA-N 1 3 315.418 -0.735 20 0 DBADHO CN(CCN[C@H]1CCCNC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377577502 990662154 /nfs/dbraw/zinc/66/21/54/990662154.db2.gz MYBKNXZBECBDAZ-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377577508 990662163 /nfs/dbraw/zinc/66/21/63/990662163.db2.gz MYBKNXZBECBDAZ-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001377582342 990665932 /nfs/dbraw/zinc/66/59/32/990665932.db2.gz XFWRVFHQCDUUSL-VXGBXAGGSA-N 1 3 302.394 -0.397 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@@H]1CCNC1=O ZINC001377582317 990666308 /nfs/dbraw/zinc/66/63/08/990666308.db2.gz XFWRVFHQCDUUSL-NWDGAFQWSA-N 1 3 302.394 -0.397 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(C[C@H](O)COC)C1 ZINC001378185637 990876352 /nfs/dbraw/zinc/87/63/52/990876352.db2.gz ALQPOOBSORAZFN-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(C[C@H](O)COC)C1 ZINC001378185637 990876357 /nfs/dbraw/zinc/87/63/57/990876357.db2.gz ALQPOOBSORAZFN-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(C[NH2+]C3)CC2)CC1=O ZINC001548566374 1015596910 /nfs/dbraw/zinc/59/69/10/1015596910.db2.gz JHSLNHXIRZNMID-ZDUSSCGKSA-N 1 3 308.426 -0.392 20 0 DBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCCS(C)(=O)=O ZINC001378315935 990929003 /nfs/dbraw/zinc/92/90/03/990929003.db2.gz JAXFFJCFKQYWKI-LBPRGKRZSA-N 1 3 317.455 -0.389 20 0 DBADHO CC[C@H](CNC(=O)[C@H](CC)N(C)C)[NH2+]CC(=O)NC(N)=O ZINC001378322913 990932652 /nfs/dbraw/zinc/93/26/52/990932652.db2.gz XHWMULCRMHHVNX-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21)N(C)C ZINC001378696052 991115232 /nfs/dbraw/zinc/11/52/32/991115232.db2.gz ILUHUZCTCOGPCV-BTFPBAQTSA-N 1 3 313.442 -0.372 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21)N(C)C ZINC001378696052 991115240 /nfs/dbraw/zinc/11/52/40/991115240.db2.gz ILUHUZCTCOGPCV-BTFPBAQTSA-N 1 3 313.442 -0.372 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)N(C)C ZINC001378893199 991230234 /nfs/dbraw/zinc/23/02/34/991230234.db2.gz AUAAFSOVZHYDLV-DGCLKSJQSA-N 1 3 307.398 -0.133 20 0 DBADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001379061698 991313014 /nfs/dbraw/zinc/31/30/14/991313014.db2.gz VDWLMAMNLORXAD-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379061698 991313025 /nfs/dbraw/zinc/31/30/25/991313025.db2.gz VDWLMAMNLORXAD-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001379095841 991330514 /nfs/dbraw/zinc/33/05/14/991330514.db2.gz GRLJZGIJHIDKOI-KGLIPLIRSA-N 1 3 301.431 -0.274 20 0 DBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001379095841 991330525 /nfs/dbraw/zinc/33/05/25/991330525.db2.gz GRLJZGIJHIDKOI-KGLIPLIRSA-N 1 3 301.431 -0.274 20 0 DBADHO CN(CCCO)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001379119364 991344138 /nfs/dbraw/zinc/34/41/38/991344138.db2.gz RDUOPDDFXCBGPS-UHFFFAOYSA-N 1 3 301.431 -0.130 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001379135740 991350701 /nfs/dbraw/zinc/35/07/01/991350701.db2.gz WPNBQFYTFCFLDQ-TZMCWYRMSA-N 1 3 310.442 -0.147 20 0 DBADHO CO[C@@H](C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001379230655 991457364 /nfs/dbraw/zinc/45/73/64/991457364.db2.gz QNNQFHWUUJGIBQ-STQMWFEESA-N 1 3 301.431 -0.038 20 0 DBADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379257671 991488453 /nfs/dbraw/zinc/48/84/53/991488453.db2.gz KETUXLFFUSGALR-KGLIPLIRSA-N 1 3 324.425 -0.708 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001379299351 991528718 /nfs/dbraw/zinc/52/87/18/991528718.db2.gz XLXNTEWRVIAJHT-QWHCGFSZSA-N 1 3 314.430 -0.986 20 0 DBADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001379343540 991561194 /nfs/dbraw/zinc/56/11/94/991561194.db2.gz OUIOLWZXYNGULR-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001379343540 991561206 /nfs/dbraw/zinc/56/12/06/991561206.db2.gz OUIOLWZXYNGULR-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H](CO)[NH2+]CCO)C1 ZINC001379483076 991712928 /nfs/dbraw/zinc/71/29/28/991712928.db2.gz YOKYVHUJYQFMPD-BXUZGUMPSA-N 1 3 305.394 -0.742 20 0 DBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C ZINC001379522089 991761479 /nfs/dbraw/zinc/76/14/79/991761479.db2.gz LUBHIFIAOSEBHV-HBNTYKKESA-N 1 3 315.418 -0.735 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001379566667 991795623 /nfs/dbraw/zinc/79/56/23/991795623.db2.gz ISSXEOBVKGGRJW-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO NCc1cn([C@H]2CCCN(C(=O)C[C@@H]3C[NH2+]CCO3)C2)nn1 ZINC001549047310 1015699263 /nfs/dbraw/zinc/69/92/63/1015699263.db2.gz OMEKFOQQAOWDBY-QWHCGFSZSA-N 1 3 308.386 -0.721 20 0 DBADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001549050710 1015701051 /nfs/dbraw/zinc/70/10/51/1015701051.db2.gz QAGAJJVZSKPGMX-RWMBFGLXSA-N 1 3 309.414 -0.530 20 0 DBADHO C[C@@H](O)C[NH2+][C@]1(CO)CCCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001381049825 992644123 /nfs/dbraw/zinc/64/41/23/992644123.db2.gz YTGNXZWSIXNFDQ-UKRRQHHQSA-N 1 3 313.442 -0.205 20 0 DBADHO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001381156338 992689422 /nfs/dbraw/zinc/68/94/22/992689422.db2.gz NOAZKFOHSHXXRE-KBPBESRZSA-N 1 3 313.442 -0.348 20 0 DBADHO CNC(=O)C[NH2+]CC1(O)CCN(C(=O)CN(C)C(C)C)CC1 ZINC001381162877 992693099 /nfs/dbraw/zinc/69/30/99/992693099.db2.gz CHRPYGJRKIQVRZ-UHFFFAOYSA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001381424147 992799279 /nfs/dbraw/zinc/79/92/79/992799279.db2.gz VGUTVWXAJMLASJ-NXEZZACHSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC001381805740 992885806 /nfs/dbraw/zinc/88/58/06/992885806.db2.gz PECFCGJKSBMCNT-ZFWWWQNUSA-N 1 3 323.441 -0.368 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001381941490 992933018 /nfs/dbraw/zinc/93/30/18/992933018.db2.gz HVNDFHCWDJOPAX-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001382161773 993011702 /nfs/dbraw/zinc/01/17/02/993011702.db2.gz RABKHTGOJALQLF-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001382157572 993011964 /nfs/dbraw/zinc/01/19/64/993011964.db2.gz SYMJBECPEJBCDF-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001382157572 993011969 /nfs/dbraw/zinc/01/19/69/993011969.db2.gz SYMJBECPEJBCDF-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001382314532 993145617 /nfs/dbraw/zinc/14/56/17/993145617.db2.gz KWMHPZQFBXNLOP-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO COCCN(C)C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001382469896 993304601 /nfs/dbraw/zinc/30/46/01/993304601.db2.gz TZMMDTLYGOAKPY-AWEZNQCLSA-N 1 3 301.431 -0.274 20 0 DBADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001550085487 1015786947 /nfs/dbraw/zinc/78/69/47/1015786947.db2.gz PGSDXAPUWABORP-KBPBESRZSA-N 1 3 311.426 -0.187 20 0 DBADHO O=C(C[C@@H]1CCNC[C@H]1F)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550086496 1015787593 /nfs/dbraw/zinc/78/75/93/1015787593.db2.gz AFTIRBXIRICLQH-CYZMBNFOSA-N 1 3 310.377 -0.234 20 0 DBADHO CCC1(N2CCOCC2)CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001550085491 1015787680 /nfs/dbraw/zinc/78/76/80/1015787680.db2.gz PGSDXAPUWABORP-UONOGXRCSA-N 1 3 311.426 -0.187 20 0 DBADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001550086883 1015788670 /nfs/dbraw/zinc/78/86/70/1015788670.db2.gz DRAHIHMKUVXKTC-RDBSUJKOSA-N 1 3 320.397 -0.708 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550096026 1015790698 /nfs/dbraw/zinc/79/06/98/1015790698.db2.gz UDMTUCDVQRIMBZ-DYEKYZERSA-N 1 3 308.386 -0.723 20 0 DBADHO COC[C@@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001550096271 1015792023 /nfs/dbraw/zinc/79/20/23/1015792023.db2.gz ILJOITOWHUQZAA-TZMCWYRMSA-N 1 3 308.386 -0.864 20 0 DBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383846654 993765165 /nfs/dbraw/zinc/76/51/65/993765165.db2.gz VFCBLFXGKTUJGT-VXGBXAGGSA-N 1 3 307.398 -0.133 20 0 DBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383846654 993765174 /nfs/dbraw/zinc/76/51/74/993765174.db2.gz VFCBLFXGKTUJGT-VXGBXAGGSA-N 1 3 307.398 -0.133 20 0 DBADHO O=S(=O)(N[C@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CCNCC1 ZINC001550440069 1015806876 /nfs/dbraw/zinc/80/68/76/1015806876.db2.gz WMWSSZXYHHCQNK-GJZGRUSLSA-N 1 3 324.450 -0.128 20 0 DBADHO O=S(=O)(N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1)N1CCNCC1 ZINC001550440027 1015807234 /nfs/dbraw/zinc/80/72/34/1015807234.db2.gz LFUKOKHLSOPNKZ-ZIAGYGMSSA-N 1 3 310.423 -0.518 20 0 DBADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCNC[C@@H](O)C1 ZINC001550753603 1015812296 /nfs/dbraw/zinc/81/22/96/1015812296.db2.gz FEROMFZJVJODDH-CHWSQXEVSA-N 1 3 312.414 -0.879 20 0 DBADHO CN1[C@H]2CN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)C[C@H]2C[C@H]1CO ZINC001550735289 1015812867 /nfs/dbraw/zinc/81/28/67/1015812867.db2.gz CSQQSXMWXIBUSN-ZOBORPQBSA-N 1 3 308.426 -0.023 20 0 DBADHO O=C(NC[C@H]1CNCCO1)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755565 1015813653 /nfs/dbraw/zinc/81/36/53/1015813653.db2.gz JATOZAQQNKUKMZ-CHWSQXEVSA-N 1 3 312.414 -0.567 20 0 DBADHO C[NH+](C)[C@@H]1CC[C@H]2CN(S(=O)(=O)N3CCNCC3)C[C@@H]2C1 ZINC001551392465 1015819274 /nfs/dbraw/zinc/81/92/74/1015819274.db2.gz QJUSSUBUQXVPOO-MELADBBJSA-N 1 3 316.471 -0.202 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H]1CCN1C(=O)CC[NH+](C)C ZINC001400468507 994165138 /nfs/dbraw/zinc/16/51/38/994165138.db2.gz GBMJOWVAZSTKJT-LBPRGKRZSA-N 1 3 307.398 -0.071 20 0 DBADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CNCCO2)cnn1C ZINC001552090034 1015839831 /nfs/dbraw/zinc/83/98/31/1015839831.db2.gz KJHKEGGNAQQQAX-XBFCOCLRSA-N 1 3 307.398 -0.864 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C[C@H]2CCc3ncnn32)C1 ZINC001400676175 994290927 /nfs/dbraw/zinc/29/09/27/994290927.db2.gz VMJAIVHGDBGGKD-CHWSQXEVSA-N 1 3 306.414 -0.092 20 0 DBADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H](F)[C@@H](N)C2)cnn1C ZINC001552216610 1015849900 /nfs/dbraw/zinc/84/99/00/1015849900.db2.gz UILONFWSARCFHH-XUXIUFHCSA-N 1 3 309.389 -0.071 20 0 DBADHO COC[C@H](O)CN1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001400716854 994314048 /nfs/dbraw/zinc/31/40/48/994314048.db2.gz ZUYQWALZOZFFDI-HUUCEWRRSA-N 1 3 313.442 -0.132 20 0 DBADHO CN1CCN(C2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)CC2)CC1 ZINC001552259531 1015851945 /nfs/dbraw/zinc/85/19/45/1015851945.db2.gz MIJQBOXLRCAHTH-PBHICJAKSA-N 1 3 322.453 -0.539 20 0 DBADHO CN1CCN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)C[C@@H]1Cc1ccccc1 ZINC001552292508 1015853446 /nfs/dbraw/zinc/85/34/46/1015853446.db2.gz KJENNLALFDXCKI-HRCADAONSA-N 1 3 317.437 -0.065 20 0 DBADHO CN1CCN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)C[C@@H]1Cc1ccccc1 ZINC001552292508 1015853451 /nfs/dbraw/zinc/85/34/51/1015853451.db2.gz KJENNLALFDXCKI-HRCADAONSA-N 1 3 317.437 -0.065 20 0 DBADHO Cc1c(C(=O)N2CCO[C@H](CN(C)C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436641 1015860629 /nfs/dbraw/zinc/86/06/29/1015860629.db2.gz AJJVXFQBBFBNKQ-CHWSQXEVSA-N 1 3 322.413 -0.476 20 0 DBADHO CN(C)[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C[C@H]1n1ccnn1 ZINC001552603872 1015865108 /nfs/dbraw/zinc/86/51/08/1015865108.db2.gz XPTUZWPCVGVWDM-BFHYXJOUSA-N 1 3 321.429 -0.131 20 0 DBADHO CN(C)[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+]2C)C[C@H]1n1ccnn1 ZINC001552603872 1015865110 /nfs/dbraw/zinc/86/51/10/1015865110.db2.gz XPTUZWPCVGVWDM-BFHYXJOUSA-N 1 3 321.429 -0.131 20 0 DBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401241105 994493023 /nfs/dbraw/zinc/49/30/23/994493023.db2.gz FSZLOUKTWLFRLM-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401250407 994495136 /nfs/dbraw/zinc/49/51/36/994495136.db2.gz FHQDDSNFNLVARL-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO COc1cccc([C@@H]2CNCCN2C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)c1 ZINC001552959821 1015871425 /nfs/dbraw/zinc/87/14/25/1015871425.db2.gz DHKGBFFHDXTZPL-ZNMIVQPWSA-N 1 3 319.409 -0.268 20 0 DBADHO COc1cccc([C@@H]2CNCCN2C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)c1 ZINC001552959821 1015871429 /nfs/dbraw/zinc/87/14/29/1015871429.db2.gz DHKGBFFHDXTZPL-ZNMIVQPWSA-N 1 3 319.409 -0.268 20 0 DBADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001401548176 994635664 /nfs/dbraw/zinc/63/56/64/994635664.db2.gz ASOCAFFCMIDPLT-LBPRGKRZSA-N 1 3 314.430 -0.809 20 0 DBADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H](O)CNCC(N)=O ZINC001401548176 994635668 /nfs/dbraw/zinc/63/56/68/994635668.db2.gz ASOCAFFCMIDPLT-LBPRGKRZSA-N 1 3 314.430 -0.809 20 0 DBADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401606577 994695915 /nfs/dbraw/zinc/69/59/15/994695915.db2.gz FIOZJURXAWEZOZ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401606577 994695923 /nfs/dbraw/zinc/69/59/23/994695923.db2.gz FIOZJURXAWEZOZ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001386102204 994747906 /nfs/dbraw/zinc/74/79/06/994747906.db2.gz DGUUYISENJCNNO-TTZDDIAXSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001386102204 994747920 /nfs/dbraw/zinc/74/79/20/994747920.db2.gz DGUUYISENJCNNO-TTZDDIAXSA-N 1 3 322.453 -0.149 20 0 DBADHO C[C@@H](NC[C@H](C)NC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001401712030 994775309 /nfs/dbraw/zinc/77/53/09/994775309.db2.gz UNPAFPYVDUPONT-WDEREUQCSA-N 1 3 300.403 -0.935 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001401716700 994777788 /nfs/dbraw/zinc/77/77/88/994777788.db2.gz IBFLDYTYVNNBRF-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CN1CCN(CCNC(=O)N2C[C@@H]3[C@@H](C[NH3+])[C@@H]3C2)CC1(C)C ZINC001553480214 1015894723 /nfs/dbraw/zinc/89/47/23/1015894723.db2.gz MPKABLITLYECLE-ZSOGYDGISA-N 1 3 309.458 -0.142 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2CNCC(N)=O)cn1 ZINC001402063194 994898731 /nfs/dbraw/zinc/89/87/31/994898731.db2.gz UVRPHGHJQGZOFW-CYBMUJFWSA-N 1 3 322.413 -0.876 20 0 DBADHO O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553548608 1015899474 /nfs/dbraw/zinc/89/94/74/1015899474.db2.gz ZQMUWOSHJDQMQE-QNWHQSFQSA-N 1 3 300.378 -0.463 20 0 DBADHO CN(C)C1(C(=O)NCCN2CCC([NH2+]CCO)CC2)CCC1 ZINC001402440532 995137178 /nfs/dbraw/zinc/13/71/78/995137178.db2.gz XUGVBWZAGXTQDJ-UHFFFAOYSA-N 1 3 312.458 -0.367 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001402536400 995180494 /nfs/dbraw/zinc/18/04/94/995180494.db2.gz MUVBHLAHHUZSHY-XWLWVQCSSA-N 1 3 313.402 -0.853 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001402540515 995182649 /nfs/dbraw/zinc/18/26/49/995182649.db2.gz XKHGEJUHVWLZIZ-DCAQKATOSA-N 1 3 313.402 -0.852 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)N(C)C ZINC001402587343 995200005 /nfs/dbraw/zinc/20/00/05/995200005.db2.gz JTEGLNNKZCSWLO-LXTVHRRPSA-N 1 3 323.441 -0.179 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001402604221 995211034 /nfs/dbraw/zinc/21/10/34/995211034.db2.gz UMPFXKFNGDSKOP-OLZOCXBDSA-N 1 3 312.414 -0.839 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001402604221 995211041 /nfs/dbraw/zinc/21/10/41/995211041.db2.gz UMPFXKFNGDSKOP-OLZOCXBDSA-N 1 3 312.414 -0.839 20 0 DBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001402627698 995225492 /nfs/dbraw/zinc/22/54/92/995225492.db2.gz JYHZJHHNUGIBIJ-FRRDWIJNSA-N 1 3 319.471 -0.146 20 0 DBADHO CC[C@@H](C(=O)NC1(C[NH2+][C@@H](C)C(N)=O)CCOCC1)N(C)C ZINC001402750173 995269381 /nfs/dbraw/zinc/26/93/81/995269381.db2.gz NHPZVPDWKBQVHR-RYUDHWBXSA-N 1 3 314.430 -0.545 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(CCO)CC2)CC[N@@H+]1C ZINC001402859053 995310973 /nfs/dbraw/zinc/31/09/73/995310973.db2.gz CUHRWSPMKRSWRY-UONOGXRCSA-N 1 3 313.442 -0.348 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC2(CO)CCN(CCO)CC2)CC[N@H+]1C ZINC001402859053 995310978 /nfs/dbraw/zinc/31/09/78/995310978.db2.gz CUHRWSPMKRSWRY-UONOGXRCSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H]1CCCNC1=O ZINC001402918346 995339365 /nfs/dbraw/zinc/33/93/65/995339365.db2.gz BIYIALCUISYMRD-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCCNC1=O ZINC001402918344 995340110 /nfs/dbraw/zinc/34/01/10/995340110.db2.gz BIYIALCUISYMRD-CHWSQXEVSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001403090008 995403738 /nfs/dbraw/zinc/40/37/38/995403738.db2.gz WRSMPBUYVBPGKP-RYUDHWBXSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001403090008 995403740 /nfs/dbraw/zinc/40/37/40/995403740.db2.gz WRSMPBUYVBPGKP-RYUDHWBXSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001403090016 995403860 /nfs/dbraw/zinc/40/38/60/995403860.db2.gz WRSMPBUYVBPGKP-VXGBXAGGSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001403090016 995403864 /nfs/dbraw/zinc/40/38/64/995403864.db2.gz WRSMPBUYVBPGKP-VXGBXAGGSA-N 1 3 305.444 -0.533 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001403225183 995458986 /nfs/dbraw/zinc/45/89/86/995458986.db2.gz DOURHXMEMAUXRY-BFHYXJOUSA-N 1 3 301.431 -0.228 20 0 DBADHO CN(C)C1(C(=O)NC2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001387747955 995465092 /nfs/dbraw/zinc/46/50/92/995465092.db2.gz PRXAHMHCNFQGQO-GFCCVEGCSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)C1(C(=O)NC2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001387747955 995465103 /nfs/dbraw/zinc/46/51/03/995465103.db2.gz PRXAHMHCNFQGQO-GFCCVEGCSA-N 1 3 308.426 -0.251 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001387799486 995486836 /nfs/dbraw/zinc/48/68/36/995486836.db2.gz ILNQGRIMQBYHJM-CYBMUJFWSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H](C(=O)NC1CC1)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001403395859 995505870 /nfs/dbraw/zinc/50/58/70/995505870.db2.gz ODRYWQQLIVAOND-CYUUQNCZSA-N 1 3 322.453 -0.101 20 0 DBADHO CC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001403471630 995535745 /nfs/dbraw/zinc/53/57/45/995535745.db2.gz YLQQKOLOIQFHSJ-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO CN(C)C1(C(=O)N2CC(CNC(=O)CC[NH+](C)C)C2)CCC1 ZINC001387924827 995541184 /nfs/dbraw/zinc/54/11/84/995541184.db2.gz KCAQWRAQJAAHFD-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001403508030 995546087 /nfs/dbraw/zinc/54/60/87/995546087.db2.gz HWHGKKTWKQSTAL-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001388275067 995649278 /nfs/dbraw/zinc/64/92/78/995649278.db2.gz MYYHMRCNVJLJKA-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001388275067 995649280 /nfs/dbraw/zinc/64/92/80/995649280.db2.gz MYYHMRCNVJLJKA-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@H](NC[C@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001403854138 995733132 /nfs/dbraw/zinc/73/31/32/995733132.db2.gz AVKWNCGXYGXPLJ-RYUDHWBXSA-N 1 3 314.430 -0.857 20 0 DBADHO C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001403862110 995739780 /nfs/dbraw/zinc/73/97/80/995739780.db2.gz NXLLVJOHKAYORI-CHWSQXEVSA-N 1 3 303.447 -0.246 20 0 DBADHO CN1CC[C@H](N2CC[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001404079981 995814580 /nfs/dbraw/zinc/81/45/80/995814580.db2.gz ZQCJHROQIBJNNK-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@H](NCCN(C)C(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001404334924 995859127 /nfs/dbraw/zinc/85/91/27/995859127.db2.gz POSPQVHAXLYAAT-ZDUSSCGKSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCCN(C[C@@H](O)COC)C1 ZINC001389401530 995967917 /nfs/dbraw/zinc/96/79/17/995967917.db2.gz NZHGDUFHHGBFMW-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCCN(C[C@@H](O)COC)C1 ZINC001389401530 995967922 /nfs/dbraw/zinc/96/79/22/995967922.db2.gz NZHGDUFHHGBFMW-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001389483951 996008815 /nfs/dbraw/zinc/00/88/15/996008815.db2.gz OGUDVLWWHDJHKX-ZQDZILKHSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@H](O)CN1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001389483951 996008819 /nfs/dbraw/zinc/00/88/19/996008819.db2.gz OGUDVLWWHDJHKX-ZQDZILKHSA-N 1 3 313.442 -0.086 20 0 DBADHO CNC(=O)CN[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001389598789 996038853 /nfs/dbraw/zinc/03/88/53/996038853.db2.gz ADPZDQVXKAGJSK-KBPBESRZSA-N 1 3 308.426 -0.441 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001389684981 996069837 /nfs/dbraw/zinc/06/98/37/996069837.db2.gz GAWVBHVUAOEWPD-JSGCOSHPSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001389684981 996069844 /nfs/dbraw/zinc/06/98/44/996069844.db2.gz GAWVBHVUAOEWPD-JSGCOSHPSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](NCC(=O)NC3CC3)C2)CC1 ZINC001389797099 996103902 /nfs/dbraw/zinc/10/39/02/996103902.db2.gz LGBMPDVRXBICSF-ZDUSSCGKSA-N 1 3 308.426 -0.203 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001389802928 996105393 /nfs/dbraw/zinc/10/53/93/996105393.db2.gz OGJSRMKNVXFJKM-SOUVJXGZSA-N 1 3 321.425 -0.471 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001389852174 996119244 /nfs/dbraw/zinc/11/92/44/996119244.db2.gz GWBVOCCGNJQUAY-JOCQHMNTSA-N 1 3 323.441 -0.267 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001390137162 996190513 /nfs/dbraw/zinc/19/05/13/996190513.db2.gz IHAHKUXJASRIML-UHFFFAOYSA-N 1 3 307.398 -0.037 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC001390137162 996190516 /nfs/dbraw/zinc/19/05/16/996190516.db2.gz IHAHKUXJASRIML-UHFFFAOYSA-N 1 3 307.398 -0.037 20 0 DBADHO C[C@@H](N[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001390512235 996283888 /nfs/dbraw/zinc/28/38/88/996283888.db2.gz RRJUCTFFAIGXJF-NWDGAFQWSA-N 1 3 308.426 -0.156 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]C[C@H](O)Cn1cccn1 ZINC001390526588 996290003 /nfs/dbraw/zinc/29/00/03/996290003.db2.gz QVPKIIGURLWPTC-YPMHNXCESA-N 1 3 320.397 -0.387 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001390566156 996304223 /nfs/dbraw/zinc/30/42/23/996304223.db2.gz TUDQWWJKLPZQIE-LBPRGKRZSA-N 1 3 305.444 -0.437 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001390566156 996304231 /nfs/dbraw/zinc/30/42/31/996304231.db2.gz TUDQWWJKLPZQIE-LBPRGKRZSA-N 1 3 305.444 -0.437 20 0 DBADHO C[C@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001391201026 996486528 /nfs/dbraw/zinc/48/65/28/996486528.db2.gz KWEBIPNWJMULEW-JTQLQIEISA-N 1 3 313.402 -0.898 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001391361480 996525176 /nfs/dbraw/zinc/52/51/76/996525176.db2.gz SISWBKBQJPGLTF-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001391361480 996525180 /nfs/dbraw/zinc/52/51/80/996525180.db2.gz SISWBKBQJPGLTF-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC1CC1 ZINC001391745229 996622560 /nfs/dbraw/zinc/62/25/60/996622560.db2.gz VIKVMNFASJPYJX-LBPRGKRZSA-N 1 3 308.426 -0.155 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C(C)C)N(C)C ZINC001392252786 996765196 /nfs/dbraw/zinc/76/51/96/996765196.db2.gz WAAVTWOAGKKHFA-MNOVXSKESA-N 1 3 315.418 -0.748 20 0 DBADHO CN(CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)C(=O)CN1CCCC1 ZINC001493793698 1016066192 /nfs/dbraw/zinc/06/61/92/1016066192.db2.gz KHWJWCVCBIMBHE-ZDUSSCGKSA-N 1 3 317.455 -0.435 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001392376350 996846807 /nfs/dbraw/zinc/84/68/07/996846807.db2.gz JUZUWFPHALTRRW-SOUVJXGZSA-N 1 3 323.441 -0.283 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2cnn(C)c2)CC[N@H+]1C ZINC001392376350 996846810 /nfs/dbraw/zinc/84/68/10/996846810.db2.gz JUZUWFPHALTRRW-SOUVJXGZSA-N 1 3 323.441 -0.283 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001392376348 996847697 /nfs/dbraw/zinc/84/76/97/996847697.db2.gz OJGXALRYSTZNFS-HUUCEWRRSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001392376348 996847701 /nfs/dbraw/zinc/84/77/01/996847701.db2.gz OJGXALRYSTZNFS-HUUCEWRRSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001392376348 996847707 /nfs/dbraw/zinc/84/77/07/996847707.db2.gz OJGXALRYSTZNFS-HUUCEWRRSA-N 1 3 323.441 -0.140 20 0 DBADHO C[NH+]1CCC(C(=O)NC[C@@H](O)CNCc2cccnc2)CC1 ZINC001392388788 996862755 /nfs/dbraw/zinc/86/27/55/996862755.db2.gz CRZPJQHXHPLZAR-HNNXBMFYSA-N 1 3 306.410 -0.010 20 0 DBADHO C[C@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001392391501 996864810 /nfs/dbraw/zinc/86/48/10/996864810.db2.gz INIWSWYETTYAQO-NWDGAFQWSA-N 1 3 316.446 -0.692 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001392428560 996912316 /nfs/dbraw/zinc/91/23/16/996912316.db2.gz PACWHLFLMJWMSI-KBPBESRZSA-N 1 3 301.431 -0.180 20 0 DBADHO COC[C@@H](O)CN1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001405161068 997035903 /nfs/dbraw/zinc/03/59/03/997035903.db2.gz VZDYQCOGODNWDT-KBPBESRZSA-N 1 3 311.426 -0.378 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]C[C@@H](O)COC)N(C)C ZINC001393046018 997387068 /nfs/dbraw/zinc/38/70/68/997387068.db2.gz HBRQDAJIPUBINU-MJBXVCDLSA-N 1 3 301.431 -0.086 20 0 DBADHO CCN(C)C(=O)CNC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001405875820 997454299 /nfs/dbraw/zinc/45/42/99/997454299.db2.gz VOUATZXVZORAIA-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](O)C[N@@H+]1CC[C@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001393275849 997524581 /nfs/dbraw/zinc/52/45/81/997524581.db2.gz LMZCISMBUANDIV-CJNGLKHVSA-N 1 3 315.458 -0.102 20 0 DBADHO C[C@@H](O)C[N@H+]1CC[C@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001393275849 997524592 /nfs/dbraw/zinc/52/45/92/997524592.db2.gz LMZCISMBUANDIV-CJNGLKHVSA-N 1 3 315.458 -0.102 20 0 DBADHO C[NH+](C)CCCC(=O)NC[C@]1(O)CCN(CCn2cncn2)C1 ZINC001393275481 997526195 /nfs/dbraw/zinc/52/61/95/997526195.db2.gz MKLFFWMANNJUDQ-OAHLLOKOSA-N 1 3 324.429 -0.827 20 0 DBADHO C[C@@H](O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001406212508 997576197 /nfs/dbraw/zinc/57/61/97/997576197.db2.gz LAXDOQJICDTOJW-OLZOCXBDSA-N 1 3 301.431 -0.302 20 0 DBADHO Cn1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCCCN2C)n1 ZINC001406249656 997622947 /nfs/dbraw/zinc/62/29/47/997622947.db2.gz VIIMBCOEKHIFGP-UONOGXRCSA-N 1 3 309.414 -0.529 20 0 DBADHO Cn1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)n1 ZINC001406249656 997622956 /nfs/dbraw/zinc/62/29/56/997622956.db2.gz VIIMBCOEKHIFGP-UONOGXRCSA-N 1 3 309.414 -0.529 20 0 DBADHO Cn1ccc(CNC[C@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)n1 ZINC001406249656 997622963 /nfs/dbraw/zinc/62/29/63/997622963.db2.gz VIIMBCOEKHIFGP-UONOGXRCSA-N 1 3 309.414 -0.529 20 0 DBADHO O=C(NCC[C@H]1CCN([C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001494075765 1016146174 /nfs/dbraw/zinc/14/61/74/1016146174.db2.gz XNFKJOLOAGKWPI-KBPBESRZSA-N 1 3 320.437 -0.201 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001406255830 997631593 /nfs/dbraw/zinc/63/15/93/997631593.db2.gz DWFPKMJCZXKQGB-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO COC[C@@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001406259118 997635374 /nfs/dbraw/zinc/63/53/74/997635374.db2.gz SPQNDGOOXPRBOE-OLZOCXBDSA-N 1 3 301.431 -0.038 20 0 DBADHO Cc1nc([C@H](C)NC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001406263839 997639976 /nfs/dbraw/zinc/63/99/76/997639976.db2.gz FNGNNPRSZJUVMV-CMPLNLGQSA-N 1 3 324.429 -0.417 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393408246 997641761 /nfs/dbraw/zinc/64/17/61/997641761.db2.gz JBADBMYBLKLNBQ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393408246 997641769 /nfs/dbraw/zinc/64/17/69/997641769.db2.gz JBADBMYBLKLNBQ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(NCC[C@H]1CCN([C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001494075772 1016144971 /nfs/dbraw/zinc/14/49/71/1016144971.db2.gz XNFKJOLOAGKWPI-UONOGXRCSA-N 1 3 320.437 -0.201 20 0 DBADHO NC(=O)CNC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001393574982 997738051 /nfs/dbraw/zinc/73/80/51/997738051.db2.gz KCCZQZZXBYRKTD-CYBMUJFWSA-N 1 3 324.425 -0.835 20 0 DBADHO CC[C@@H](C(=O)N1CCO[C@H](CNCC(N)=O)C1)[NH+](CC)CC ZINC001393580191 997745391 /nfs/dbraw/zinc/74/53/91/997745391.db2.gz BSSQVRMVGYVEBC-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1)C(N)=O ZINC001393589543 997753660 /nfs/dbraw/zinc/75/36/60/997753660.db2.gz MKDBTZHXQXHXFG-WCQYABFASA-N 1 3 312.414 -0.981 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001406468966 997779635 /nfs/dbraw/zinc/77/96/35/997779635.db2.gz UFZVUIUEBSGLLJ-BFHYXJOUSA-N 1 3 301.431 -0.039 20 0 DBADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC001393745206 997827536 /nfs/dbraw/zinc/82/75/36/997827536.db2.gz GJQUOCYTLTWROD-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+]C[C@@H](C)O)CC1)N(C)C ZINC001393775706 997841588 /nfs/dbraw/zinc/84/15/88/997841588.db2.gz LMAUOWNSJDKVDZ-ZIAGYGMSSA-N 1 3 315.458 -0.104 20 0 DBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]C[C@H](C)O)CC1)N(C)C ZINC001393779944 997842075 /nfs/dbraw/zinc/84/20/75/997842075.db2.gz HATWBPIYLBNBRQ-STQMWFEESA-N 1 3 301.431 -0.350 20 0 DBADHO CC[C@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001394031150 997932880 /nfs/dbraw/zinc/93/28/80/997932880.db2.gz VOXQAIKJGMIQFC-TZMCWYRMSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@H](C(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001394031150 997932888 /nfs/dbraw/zinc/93/28/88/997932888.db2.gz VOXQAIKJGMIQFC-TZMCWYRMSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H]([NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1)C(=O)N(C)C ZINC001496995895 1017180625 /nfs/dbraw/zinc/18/06/25/1017180625.db2.gz MEXGFWZMNKCUMC-RYUDHWBXSA-N 1 3 314.430 -0.986 20 0 DBADHO COC[C@@H](O)CN1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001407218223 998075966 /nfs/dbraw/zinc/07/59/66/998075966.db2.gz VQGHHCXSQFNGGL-ZFWWWQNUSA-N 1 3 311.426 -0.330 20 0 DBADHO C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCNC1=O ZINC001394516192 998178757 /nfs/dbraw/zinc/17/87/57/998178757.db2.gz YDSWDKIAPOLTKH-QWHCGFSZSA-N 1 3 308.426 -0.060 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001407536894 998254831 /nfs/dbraw/zinc/25/48/31/998254831.db2.gz JQKQRWNHXSSKBM-NWDGAFQWSA-N 1 3 307.398 -0.228 20 0 DBADHO CC(C)[C@@H](C(=O)NCCN1CCC([NH2+]CCO)CC1)N(C)C ZINC001407590020 998273806 /nfs/dbraw/zinc/27/38/06/998273806.db2.gz JLIVOYGSDJWUNL-HNNXBMFYSA-N 1 3 314.474 -0.265 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)CCC1 ZINC001394612963 998283566 /nfs/dbraw/zinc/28/35/66/998283566.db2.gz UYCIICZLBJCTFF-CQSZACIVSA-N 1 3 313.442 -0.036 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CC2CCOCC2)CCC1 ZINC001394612962 998284875 /nfs/dbraw/zinc/28/48/75/998284875.db2.gz UYCIICZLBJCTFF-AWEZNQCLSA-N 1 3 313.442 -0.036 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]CC1CCOCC1 ZINC001394642235 998332703 /nfs/dbraw/zinc/33/27/03/998332703.db2.gz FJOXTSGTMFVMDV-CYBMUJFWSA-N 1 3 310.398 -0.246 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCc2ncnn21 ZINC001394648881 998346906 /nfs/dbraw/zinc/34/69/06/998346906.db2.gz SOAHIXBCJUABIT-CHWSQXEVSA-N 1 3 324.429 -0.828 20 0 DBADHO C[C@H](NC[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001394752147 998447931 /nfs/dbraw/zinc/44/79/31/998447931.db2.gz BKXRAVRBHHNJGD-AAEUAGOBSA-N 1 3 314.430 -0.999 20 0 DBADHO C[C@@H](NC[C@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001394752159 998448363 /nfs/dbraw/zinc/44/83/63/998448363.db2.gz BKXRAVRBHHNJGD-YPMHNXCESA-N 1 3 314.430 -0.999 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cncn1C ZINC001394763717 998466807 /nfs/dbraw/zinc/46/68/07/998466807.db2.gz MESSAWGIVGGDHP-CQSZACIVSA-N 1 3 311.430 -0.331 20 0 DBADHO CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001408231248 998564051 /nfs/dbraw/zinc/56/40/51/998564051.db2.gz KTSQGPZJTVQOJR-CMPLNLGQSA-N 1 3 315.418 -0.748 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001395094090 998605372 /nfs/dbraw/zinc/60/53/72/998605372.db2.gz SSGZOBPJPYOTMI-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001395094090 998605376 /nfs/dbraw/zinc/60/53/76/998605376.db2.gz SSGZOBPJPYOTMI-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001397085098 998960893 /nfs/dbraw/zinc/96/08/93/998960893.db2.gz UTIAEYRCYFNRJV-YIYPIFLZSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C)C1(C(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)CCC1 ZINC001397210169 998993657 /nfs/dbraw/zinc/99/36/57/998993657.db2.gz KCAJTKRLQCOTDA-CQSZACIVSA-N 1 3 313.442 -0.252 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001397785221 999131314 /nfs/dbraw/zinc/13/13/14/999131314.db2.gz IXCMKQUBHZRHQO-CQSZACIVSA-N 1 3 301.431 -0.394 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001494475638 1016287110 /nfs/dbraw/zinc/28/71/10/1016287110.db2.gz KDOPXFXLBYSWQN-VIKVFOODSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C(=O)CN[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001398399786 999264813 /nfs/dbraw/zinc/26/48/13/999264813.db2.gz GBRVDXHEICYJLE-LSDHHAIUSA-N 1 3 322.453 -0.099 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001398532782 999289178 /nfs/dbraw/zinc/28/91/78/999289178.db2.gz DAYKUEXKAJQDIU-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCC(=O)NCC3CC3)C2)C1 ZINC001398532782 999289183 /nfs/dbraw/zinc/28/91/83/999289183.db2.gz DAYKUEXKAJQDIU-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@H](NC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001398765446 999353120 /nfs/dbraw/zinc/35/31/20/999353120.db2.gz FUKWQUHVROSPGL-STQMWFEESA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@@H](NC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001398765435 999353257 /nfs/dbraw/zinc/35/32/57/999353257.db2.gz FUKWQUHVROSPGL-OLZOCXBDSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC1CCOCC1 ZINC001399048211 999401437 /nfs/dbraw/zinc/40/14/37/999401437.db2.gz WYAQWVIXRMLING-GFCCVEGCSA-N 1 3 314.430 -0.672 20 0 DBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@@H](O)Cn1cccn1 ZINC001399648836 999457469 /nfs/dbraw/zinc/45/74/69/999457469.db2.gz VXSLARTXGIYBTI-UONOGXRCSA-N 1 3 309.414 -0.756 20 0 DBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C[C@@H](O)Cn1cccn1 ZINC001399648836 999457472 /nfs/dbraw/zinc/45/74/72/999457472.db2.gz VXSLARTXGIYBTI-UONOGXRCSA-N 1 3 309.414 -0.756 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)NCCN(C)C(=O)CC[NH+](C)C ZINC001400040267 999550445 /nfs/dbraw/zinc/55/04/45/999550445.db2.gz MRDKWWWORCRJEK-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO CC[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C ZINC001400067831 999558642 /nfs/dbraw/zinc/55/86/42/999558642.db2.gz MJPWLEXTUUZBJQ-QWRGUYRKSA-N 1 3 315.418 -0.781 20 0 DBADHO C[NH+](C)CCC(=O)NCC1CN(C[C@H](O)Cn2cccn2)C1 ZINC001494591622 1016335984 /nfs/dbraw/zinc/33/59/84/1016335984.db2.gz VTNBKMPIUJIXMU-AWEZNQCLSA-N 1 3 309.414 -0.756 20 0 DBADHO CN(CCN[C@H]1CCNC1=O)C(=O)C12CCC[NH+](CCC1)C2 ZINC001420733599 1000223493 /nfs/dbraw/zinc/22/34/93/1000223493.db2.gz DWPVQMXCBWMATJ-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)NC1CC1 ZINC001420786851 1000243392 /nfs/dbraw/zinc/24/33/92/1000243392.db2.gz PVRWXBSTOIGXEF-CQSZACIVSA-N 1 3 320.437 -0.155 20 0 DBADHO CN(CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001408633449 1000251643 /nfs/dbraw/zinc/25/16/43/1000251643.db2.gz OAHYJNKLKSUXTQ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001408633449 1000251654 /nfs/dbraw/zinc/25/16/54/1000251654.db2.gz OAHYJNKLKSUXTQ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](C(N)=O)N1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001420893163 1000284415 /nfs/dbraw/zinc/28/44/15/1000284415.db2.gz PLPYZDYUTWJBND-CHWSQXEVSA-N 1 3 308.426 -0.216 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001409082927 1000356467 /nfs/dbraw/zinc/35/64/67/1000356467.db2.gz MLAMACJATQRSHL-CYBMUJFWSA-N 1 3 308.426 -0.251 20 0 DBADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001421192248 1000401497 /nfs/dbraw/zinc/40/14/97/1000401497.db2.gz SXAQNPPWNVDIGE-HNNXBMFYSA-N 1 3 312.458 -0.461 20 0 DBADHO CCCN(C)CC(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001421192248 1000401501 /nfs/dbraw/zinc/40/15/01/1000401501.db2.gz SXAQNPPWNVDIGE-HNNXBMFYSA-N 1 3 312.458 -0.461 20 0 DBADHO C[C@@H](NCCS(C)(=O)=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001409406203 1000450198 /nfs/dbraw/zinc/45/01/98/1000450198.db2.gz LJFKXWXKKMWXLB-NEPJUHHUSA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)NCCS(C)(=O)=O ZINC001409406205 1000450796 /nfs/dbraw/zinc/45/07/96/1000450796.db2.gz LJFKXWXKKMWXLB-NWDGAFQWSA-N 1 3 319.471 -0.144 20 0 DBADHO O=C(NC[C@]1(O)CCN(CCO)C1)C12CCC[NH+](CCC1)C2 ZINC001421360799 1000465196 /nfs/dbraw/zinc/46/51/96/1000465196.db2.gz GPGWDIQJPMKTGY-MRXNPFEDSA-N 1 3 311.426 -0.592 20 0 DBADHO COC[C@H](O)C[NH+]1CC([C@@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001409903299 1000548427 /nfs/dbraw/zinc/54/84/27/1000548427.db2.gz FLZMDDMQINDAPV-TZMCWYRMSA-N 1 3 313.442 -0.086 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@H]2CN(CC(=O)N3CCCC3)C[C@H]2C1 ZINC001421569205 1000551608 /nfs/dbraw/zinc/55/16/08/1000551608.db2.gz ARQHQIIOEGOMFI-GASCZTMLSA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001421620228 1000567895 /nfs/dbraw/zinc/56/78/95/1000567895.db2.gz PEJQBXLEQTWVIX-UKRRQHHQSA-N 1 3 301.431 -0.348 20 0 DBADHO C[C@@H](NC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1)C(N)=O ZINC001421806928 1000633425 /nfs/dbraw/zinc/63/34/25/1000633425.db2.gz WJDHDAWCUMXMTR-VXGBXAGGSA-N 1 3 312.414 -0.981 20 0 DBADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001421995177 1000694183 /nfs/dbraw/zinc/69/41/83/1000694183.db2.gz UQZPQWRYAKNRQK-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001421995177 1000694187 /nfs/dbraw/zinc/69/41/87/1000694187.db2.gz UQZPQWRYAKNRQK-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001422070973 1000713761 /nfs/dbraw/zinc/71/37/61/1000713761.db2.gz XIXRYDAEBWPHLF-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](C(=O)NC1(CO)CC[NH+](C[C@@H](C)O)CC1)N(C)C ZINC001422188401 1000756926 /nfs/dbraw/zinc/75/69/26/1000756926.db2.gz LXZLAXUNEHRORT-CHWSQXEVSA-N 1 3 301.431 -0.350 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410579632 1000814895 /nfs/dbraw/zinc/81/48/95/1000814895.db2.gz ITBADYXJENXBSM-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410579632 1000814898 /nfs/dbraw/zinc/81/48/98/1000814898.db2.gz ITBADYXJENXBSM-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cncn1 ZINC001410638822 1000838126 /nfs/dbraw/zinc/83/81/26/1000838126.db2.gz ZUCXBEVFLVAADA-ZIAGYGMSSA-N 1 3 324.429 -0.782 20 0 DBADHO C[C@H](O)C[NH2+]C[C@@H](O)CNC(=O)c1cccc(CN(C)C)c1 ZINC001422411511 1000865399 /nfs/dbraw/zinc/86/53/99/1000865399.db2.gz FVYKKSYOHLRSFR-SWLSCSKDSA-N 1 3 309.410 -0.191 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001422425090 1000868015 /nfs/dbraw/zinc/86/80/15/1000868015.db2.gz RVBGZQHXPWTYRF-CHWSQXEVSA-N 1 3 314.430 -0.936 20 0 DBADHO C[C@H](CN[C@@H]1CCCNC1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001422518946 1000894429 /nfs/dbraw/zinc/89/44/29/1000894429.db2.gz UHIYQXNYOUQLNC-CHWSQXEVSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H]1[C@H](NCC(=O)NC2CC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001410840025 1000929741 /nfs/dbraw/zinc/92/97/41/1000929741.db2.gz CJPSDUQDLNCTSV-TZMCWYRMSA-N 1 3 320.437 -0.060 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001410899721 1000952712 /nfs/dbraw/zinc/95/27/12/1000952712.db2.gz POCKYNYCPNUIBX-CYBMUJFWSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001410899721 1000952718 /nfs/dbraw/zinc/95/27/18/1000952718.db2.gz POCKYNYCPNUIBX-CYBMUJFWSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001422703154 1000978410 /nfs/dbraw/zinc/97/84/10/1000978410.db2.gz IFRKYUVKWVBRJZ-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001494846959 1016455344 /nfs/dbraw/zinc/45/53/44/1016455344.db2.gz KNNYXSRJVXCJGR-LSDHHAIUSA-N 1 3 323.441 -0.272 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001411043710 1001001573 /nfs/dbraw/zinc/00/15/73/1001001573.db2.gz NUINMIUOILFIGN-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001422992521 1001078928 /nfs/dbraw/zinc/07/89/28/1001078928.db2.gz DOQPRPOEUADZBD-BNOWGMLFSA-N 1 3 310.442 -0.053 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001422992521 1001078936 /nfs/dbraw/zinc/07/89/36/1001078936.db2.gz DOQPRPOEUADZBD-BNOWGMLFSA-N 1 3 310.442 -0.053 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001422992528 1001079251 /nfs/dbraw/zinc/07/92/51/1001079251.db2.gz DOQPRPOEUADZBD-MRVWCRGKSA-N 1 3 310.442 -0.053 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001422992528 1001079256 /nfs/dbraw/zinc/07/92/56/1001079256.db2.gz DOQPRPOEUADZBD-MRVWCRGKSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H](C(=O)N(C)C1CC([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001411250703 1001085189 /nfs/dbraw/zinc/08/51/89/1001085189.db2.gz XSCPIUUDWXEDRH-BPCQOVAHSA-N 1 3 319.471 -0.050 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCc2ccns2)C1 ZINC001423296603 1001238964 /nfs/dbraw/zinc/23/89/64/1001238964.db2.gz BHKHGBGFQOJFLO-VXGBXAGGSA-N 1 3 312.439 -0.296 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCCc2ccns2)C1 ZINC001423296603 1001238969 /nfs/dbraw/zinc/23/89/69/1001238969.db2.gz BHKHGBGFQOJFLO-VXGBXAGGSA-N 1 3 312.439 -0.296 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423465165 1001320679 /nfs/dbraw/zinc/32/06/79/1001320679.db2.gz NYWYKUMAPHDYNO-AAEUAGOBSA-N 1 3 314.430 -0.986 20 0 DBADHO Cc1nc([C@@H](C)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001423479553 1001333137 /nfs/dbraw/zinc/33/31/37/1001333137.db2.gz WQTRGTJUSKNGGC-PWSUYJOCSA-N 1 3 312.418 -0.465 20 0 DBADHO CN(C[C@@H](O)C[N@H+](C)C[C@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001423547685 1001372432 /nfs/dbraw/zinc/37/24/32/1001372432.db2.gz XXJXDCJQGHBDIH-OCCSQVGLSA-N 1 3 310.398 -0.260 20 0 DBADHO CN(C[C@@H](O)C[N@@H+](C)C[C@H]1CCOC1)C(=O)Cc1c[nH]cn1 ZINC001423547685 1001372436 /nfs/dbraw/zinc/37/24/36/1001372436.db2.gz XXJXDCJQGHBDIH-OCCSQVGLSA-N 1 3 310.398 -0.260 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001424033794 1001551195 /nfs/dbraw/zinc/55/11/95/1001551195.db2.gz DFKZFOKOAWQYNJ-UKRRQHHQSA-N 1 3 301.431 -0.348 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001424033794 1001551196 /nfs/dbraw/zinc/55/11/96/1001551196.db2.gz DFKZFOKOAWQYNJ-UKRRQHHQSA-N 1 3 301.431 -0.348 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001423998335 1001541117 /nfs/dbraw/zinc/54/11/17/1001541117.db2.gz QABBDDDWUBICHP-QLFBSQMISA-N 1 3 322.453 -0.053 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001423998335 1001541122 /nfs/dbraw/zinc/54/11/22/1001541122.db2.gz QABBDDDWUBICHP-QLFBSQMISA-N 1 3 322.453 -0.053 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)NCC2(NCC(N)=O)CCC2)cn1 ZINC001424200745 1001594456 /nfs/dbraw/zinc/59/44/56/1001594456.db2.gz XECMPUCLCZULNP-UHFFFAOYSA-N 1 3 322.413 -0.828 20 0 DBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]C[C@H](C)O)CC1 ZINC001424544804 1001658965 /nfs/dbraw/zinc/65/89/65/1001658965.db2.gz ABXJRGKSXUOZTN-ZDUSSCGKSA-N 1 3 301.431 -0.348 20 0 DBADHO C[C@H](NC(=O)C1(N(C)C)CCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001424793933 1001801148 /nfs/dbraw/zinc/80/11/48/1001801148.db2.gz JJNQSCYUJZBNOZ-UWVGGRQHSA-N 1 3 313.402 -0.852 20 0 DBADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001425359666 1002013284 /nfs/dbraw/zinc/01/32/84/1002013284.db2.gz LZMVWSJJCBCIEK-QWHCGFSZSA-N 1 3 314.430 -0.722 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001426032211 1002632040 /nfs/dbraw/zinc/63/20/40/1002632040.db2.gz OMVFCAZXBDSTTJ-CQSZACIVSA-N 1 3 321.425 -0.575 20 0 DBADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001426039272 1002636299 /nfs/dbraw/zinc/63/62/99/1002636299.db2.gz OBWGPFJLBBLVCZ-HUUCEWRRSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C[C@H](O)CNCc1cccnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426039272 1002636305 /nfs/dbraw/zinc/63/63/05/1002636305.db2.gz OBWGPFJLBBLVCZ-HUUCEWRRSA-N 1 3 306.410 -0.058 20 0 DBADHO CN1CC[C@H](N2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001436462353 1002719038 /nfs/dbraw/zinc/71/90/38/1002719038.db2.gz WXDJFDBUPIYRJA-ILXRZTDVSA-N 1 3 322.453 -0.051 20 0 DBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001436691259 1002752782 /nfs/dbraw/zinc/75/27/82/1002752782.db2.gz XWIOUFIDQHQFFC-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001415234736 1002764294 /nfs/dbraw/zinc/76/42/94/1002764294.db2.gz ZPGHSZIRGNLEGG-JQWIXIFHSA-N 1 3 307.398 -0.167 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001415234736 1002764306 /nfs/dbraw/zinc/76/43/06/1002764306.db2.gz ZPGHSZIRGNLEGG-JQWIXIFHSA-N 1 3 307.398 -0.167 20 0 DBADHO CNC(=O)CN[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001436799828 1002805782 /nfs/dbraw/zinc/80/57/82/1002805782.db2.gz MQSQCGQBVXIOJG-ZDUSSCGKSA-N 1 3 308.426 -0.155 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)N(C)C ZINC001436875285 1002816479 /nfs/dbraw/zinc/81/64/79/1002816479.db2.gz DNOOKEXVQZBMAE-ZNMIVQPWSA-N 1 3 323.441 -0.225 20 0 DBADHO C[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)NCc1ccn(C)n1 ZINC001437258243 1002895434 /nfs/dbraw/zinc/89/54/34/1002895434.db2.gz GBWOVEBKGIMXSQ-KBPBESRZSA-N 1 3 323.441 -0.017 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC(F)(F)F ZINC001437265011 1002896895 /nfs/dbraw/zinc/89/68/95/1002896895.db2.gz XYRKXSBEGGSVRR-ZJUUUORDSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC(F)(F)F ZINC001437265011 1002896896 /nfs/dbraw/zinc/89/68/96/1002896896.db2.gz XYRKXSBEGGSVRR-ZJUUUORDSA-N 1 3 324.347 -0.289 20 0 DBADHO CN(C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)[C@@H]1CCNC1=O ZINC001437989242 1003315148 /nfs/dbraw/zinc/31/51/48/1003315148.db2.gz HRLYPUWRIKJIRE-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO CNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001438678856 1003591812 /nfs/dbraw/zinc/59/18/12/1003591812.db2.gz ZKRNBJNLUDVGOW-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO CNC(=O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001438822264 1003674960 /nfs/dbraw/zinc/67/49/60/1003674960.db2.gz DNHSUIQDCLBBSD-VXGBXAGGSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@@H](C[NH2+]CCCS(C)(=O)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001496028282 1016821963 /nfs/dbraw/zinc/82/19/63/1016821963.db2.gz NRYAKJPYMVFOBY-QWHCGFSZSA-N 1 3 319.471 -0.048 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001438992046 1003821974 /nfs/dbraw/zinc/82/19/74/1003821974.db2.gz JBECUHIWTDUDIQ-LSDHHAIUSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001438992046 1003821975 /nfs/dbraw/zinc/82/19/75/1003821975.db2.gz JBECUHIWTDUDIQ-LSDHHAIUSA-N 1 3 323.441 -0.140 20 0 DBADHO Cc1ncsc1CNC[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001439021192 1003835763 /nfs/dbraw/zinc/83/57/63/1003835763.db2.gz CCNYZNOLCHPARF-LLVKDONJSA-N 1 3 300.428 -0.030 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001439038163 1003846676 /nfs/dbraw/zinc/84/66/76/1003846676.db2.gz XRCWBBZARKZUCM-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001439038163 1003846678 /nfs/dbraw/zinc/84/66/78/1003846678.db2.gz XRCWBBZARKZUCM-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO O=C(NC[C@@H](O)CNCc1cncc(F)c1)C12CC[NH+](CC1)C2 ZINC001439047636 1003850921 /nfs/dbraw/zinc/85/09/21/1003850921.db2.gz MTSFWFXRZHZBDC-AWEZNQCLSA-N 1 3 322.384 -0.117 20 0 DBADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001417253256 1003855703 /nfs/dbraw/zinc/85/57/03/1003855703.db2.gz UBWCTQZQFMUZMM-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(CC)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001417253256 1003855704 /nfs/dbraw/zinc/85/57/04/1003855704.db2.gz UBWCTQZQFMUZMM-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001439061517 1003857581 /nfs/dbraw/zinc/85/75/81/1003857581.db2.gz VQVXQSYYILVICH-AWEZNQCLSA-N 1 3 301.431 -0.180 20 0 DBADHO CCN(CC[NH2+][C@@H](C)C(=O)NC(N)=O)C(=O)CN1CCCC1 ZINC001439087451 1003863465 /nfs/dbraw/zinc/86/34/65/1003863465.db2.gz ZDBJOYSFSIZRMF-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439106919 1003867920 /nfs/dbraw/zinc/86/79/20/1003867920.db2.gz DLUIVKYXJVOBLM-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C)C(=O)CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439106917 1003868563 /nfs/dbraw/zinc/86/85/63/1003868563.db2.gz DLUIVKYXJVOBLM-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001439144964 1003874450 /nfs/dbraw/zinc/87/44/50/1003874450.db2.gz ULKDNLGCACSYGO-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](NC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1)C(N)=O ZINC001439464967 1004007552 /nfs/dbraw/zinc/00/75/52/1004007552.db2.gz DABWWOOVVGDKRG-AAEUAGOBSA-N 1 3 308.426 -0.027 20 0 DBADHO CC(C)NC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001439488914 1004016766 /nfs/dbraw/zinc/01/67/66/1004016766.db2.gz AIGGIJUSDNJCCE-KBPBESRZSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439488914 1004016774 /nfs/dbraw/zinc/01/67/74/1004016774.db2.gz AIGGIJUSDNJCCE-KBPBESRZSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001439488919 1004016979 /nfs/dbraw/zinc/01/69/79/1004016979.db2.gz AIGGIJUSDNJCCE-UONOGXRCSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439488919 1004016990 /nfs/dbraw/zinc/01/69/90/1004016990.db2.gz AIGGIJUSDNJCCE-UONOGXRCSA-N 1 3 310.442 -0.053 20 0 DBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001417919507 1004107712 /nfs/dbraw/zinc/10/77/12/1004107712.db2.gz XMMTWHXAVOLHBF-UONOGXRCSA-N 1 3 311.426 -0.330 20 0 DBADHO O=C(NC[C@H](N[C@@H]1CCNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001418012700 1004161403 /nfs/dbraw/zinc/16/14/03/1004161403.db2.gz YWTUCKKMYZMADE-OLZOCXBDSA-N 1 3 306.410 -0.545 20 0 DBADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001418045095 1004176226 /nfs/dbraw/zinc/17/62/26/1004176226.db2.gz RYKGPNPBFKXNLV-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001418045095 1004176230 /nfs/dbraw/zinc/17/62/30/1004176230.db2.gz RYKGPNPBFKXNLV-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001418103973 1004211553 /nfs/dbraw/zinc/21/15/53/1004211553.db2.gz MUVBHLAHHUZSHY-ZNSHCXBVSA-N 1 3 313.402 -0.853 20 0 DBADHO CC[C@H](N[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001418307429 1004329180 /nfs/dbraw/zinc/32/91/80/1004329180.db2.gz WJNCVQKBFJFXTO-AAEUAGOBSA-N 1 3 314.430 -0.545 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001418352375 1004356370 /nfs/dbraw/zinc/35/63/70/1004356370.db2.gz UABRYRINAXCJSX-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]([NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)C(=O)N(C)C ZINC001418358360 1004358023 /nfs/dbraw/zinc/35/80/23/1004358023.db2.gz UUTSTUKFEINSGR-NEPJUHHUSA-N 1 3 307.398 -0.133 20 0 DBADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001418444261 1004393979 /nfs/dbraw/zinc/39/39/79/1004393979.db2.gz ZERXSDJMHXPNDK-SNVBAGLBSA-N 1 3 301.391 -0.994 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001418818078 1004670731 /nfs/dbraw/zinc/67/07/31/1004670731.db2.gz VGQYTGUWWSOFEF-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001418818078 1004670736 /nfs/dbraw/zinc/67/07/36/1004670736.db2.gz VGQYTGUWWSOFEF-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001418942658 1004724737 /nfs/dbraw/zinc/72/47/37/1004724737.db2.gz KTUXWYWWVJBARB-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](CN(C)[C@H]2CCNC2=O)C1 ZINC001418942658 1004724748 /nfs/dbraw/zinc/72/47/48/1004724748.db2.gz KTUXWYWWVJBARB-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)NCC2CC2)C2CC2)C1 ZINC001419305567 1004854952 /nfs/dbraw/zinc/85/49/52/1004854952.db2.gz GGLKGYMFCQDFAD-CABCVRRESA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](NCC(=O)NCC2CC2)C2CC2)C1 ZINC001419305567 1004854953 /nfs/dbraw/zinc/85/49/53/1004854953.db2.gz GGLKGYMFCQDFAD-CABCVRRESA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419624355 1004921937 /nfs/dbraw/zinc/92/19/37/1004921937.db2.gz JCTVUACWIIUGMJ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001419624355 1004921943 /nfs/dbraw/zinc/92/19/43/1004921943.db2.gz JCTVUACWIIUGMJ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001419841940 1004996259 /nfs/dbraw/zinc/99/62/59/1004996259.db2.gz RNWQXJIHQGYHQE-LLVKDONJSA-N 1 3 305.444 -0.533 20 0 DBADHO O=C(C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)NCC1CC1 ZINC001419983734 1005040684 /nfs/dbraw/zinc/04/06/84/1005040684.db2.gz AJTKMBISVMPEAW-CYBMUJFWSA-N 1 3 319.409 -0.084 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001420142546 1005117613 /nfs/dbraw/zinc/11/76/13/1005117613.db2.gz IJWYBVOSOOYBLU-AWEZNQCLSA-N 1 3 309.414 -0.671 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)c2)C1 ZINC001420168429 1005131073 /nfs/dbraw/zinc/13/10/73/1005131073.db2.gz CMFHDZFTJFPTKH-OCCSQVGLSA-N 1 3 309.414 -0.671 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)CC2CC[NH+](C)CC2)n[nH]1 ZINC001420183805 1005138489 /nfs/dbraw/zinc/13/84/89/1005138489.db2.gz QKUCPNVJWKOFQQ-CYBMUJFWSA-N 1 3 324.429 -0.588 20 0 DBADHO Cc1cccnc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420190075 1005142688 /nfs/dbraw/zinc/14/26/88/1005142688.db2.gz KQPCQMDJEJSRKD-KBPBESRZSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1cccnc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420190075 1005142689 /nfs/dbraw/zinc/14/26/89/1005142689.db2.gz KQPCQMDJEJSRKD-KBPBESRZSA-N 1 3 306.410 -0.092 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001420212833 1005157780 /nfs/dbraw/zinc/15/77/80/1005157780.db2.gz MNAJZLKETGZLLW-KGLIPLIRSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001420504402 1005281532 /nfs/dbraw/zinc/28/15/32/1005281532.db2.gz GHLZHQSVPLWNQJ-ZDUSSCGKSA-N 1 3 324.425 -0.965 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420512897 1005286217 /nfs/dbraw/zinc/28/62/17/1005286217.db2.gz ZPOKENTVILRIDE-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420512897 1005286219 /nfs/dbraw/zinc/28/62/19/1005286219.db2.gz ZPOKENTVILRIDE-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCC(=O)N1CCO[C@H](CN[C@@H]2CCCNC2=O)C1 ZINC001440376550 1006083785 /nfs/dbraw/zinc/08/37/85/1006083785.db2.gz KYXZFEMTCSVXOF-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC001440450149 1006139222 /nfs/dbraw/zinc/13/92/22/1006139222.db2.gz NUZFOBLUHHWDLE-CQSZACIVSA-N 1 3 301.431 -0.396 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001440403139 1006101460 /nfs/dbraw/zinc/10/14/60/1006101460.db2.gz QVZKRPFTMXFGNE-ZDUSSCGKSA-N 1 3 314.430 -0.768 20 0 DBADHO C[C@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001440440043 1006125187 /nfs/dbraw/zinc/12/51/87/1006125187.db2.gz IQNVOZKQGVDFIM-QWRGUYRKSA-N 1 3 323.397 -0.780 20 0 DBADHO C[C@H](O)C[NH2+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2CC[N@@H+](C)C2)n1 ZINC001440440043 1006125219 /nfs/dbraw/zinc/12/52/19/1006125219.db2.gz IQNVOZKQGVDFIM-QWRGUYRKSA-N 1 3 323.397 -0.780 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@](CO)([NH2+]C[C@H](C)O)C1 ZINC001440557209 1006196600 /nfs/dbraw/zinc/19/66/00/1006196600.db2.gz QXXMNPIEIYHKLK-ZFWWWQNUSA-N 1 3 301.431 -0.348 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001440592763 1006217009 /nfs/dbraw/zinc/21/70/09/1006217009.db2.gz JEKNXYXDAQDRCL-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(NC1(CO)CCN(CCCO)CC1)C12CC[NH+](CC1)C2 ZINC001440702247 1006270394 /nfs/dbraw/zinc/27/03/94/1006270394.db2.gz CGMJHVRNPARRFN-UHFFFAOYSA-N 1 3 311.426 -0.592 20 0 DBADHO CNC(=O)NC(=O)CN[C@@H](C)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001440819147 1006319537 /nfs/dbraw/zinc/31/95/37/1006319537.db2.gz MTNCFRMMMFVBBW-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001441310040 1006573248 /nfs/dbraw/zinc/57/32/48/1006573248.db2.gz CPHPQXCLHCFGHJ-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H]([NH2+]CC(N)=O)[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001441315902 1006578858 /nfs/dbraw/zinc/57/88/58/1006578858.db2.gz JBLAXNUINHSKGH-NEPJUHHUSA-N 1 3 312.414 -0.839 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001441387265 1006622548 /nfs/dbraw/zinc/62/25/48/1006622548.db2.gz VOXANBGZZVEMAM-JHJVBQTASA-N 1 3 308.426 -0.014 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001441390383 1006623472 /nfs/dbraw/zinc/62/34/72/1006623472.db2.gz WXAWQMWZYATWDS-JHJVBQTASA-N 1 3 316.421 -0.009 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001441815770 1006887371 /nfs/dbraw/zinc/88/73/71/1006887371.db2.gz CRJNSXMAGRHTAH-BXUZGUMPSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)C1(C[NH+](C)C)CC1 ZINC001441832702 1006893269 /nfs/dbraw/zinc/89/32/69/1006893269.db2.gz HEFHKHIRYSBBAI-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)CC[NH+](C)C ZINC001441947056 1006984014 /nfs/dbraw/zinc/98/40/14/1006984014.db2.gz WQHCUUFMMGFWNI-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@H](C)C(=O)NC(N)=O ZINC001441952603 1006997074 /nfs/dbraw/zinc/99/70/74/1006997074.db2.gz GJTVMWVGDPQEQA-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCc1ccco1 ZINC001442048642 1007137372 /nfs/dbraw/zinc/13/73/72/1007137372.db2.gz KBBRCTBKOGZPLK-QWHCGFSZSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCc1ccco1 ZINC001442048642 1007137385 /nfs/dbraw/zinc/13/73/85/1007137385.db2.gz KBBRCTBKOGZPLK-QWHCGFSZSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)NCc1nccn1C ZINC001442047878 1007139004 /nfs/dbraw/zinc/13/90/04/1007139004.db2.gz JKJHNMOZZXNURI-ZIAGYGMSSA-N 1 3 323.441 -0.017 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001442086641 1007210755 /nfs/dbraw/zinc/21/07/55/1007210755.db2.gz BAAKKATWLLXZKU-ZIAGYGMSSA-N 1 3 301.431 -0.396 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001442086641 1007210759 /nfs/dbraw/zinc/21/07/59/1007210759.db2.gz BAAKKATWLLXZKU-ZIAGYGMSSA-N 1 3 301.431 -0.396 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001442174151 1007287903 /nfs/dbraw/zinc/28/79/03/1007287903.db2.gz JMCIWIHADUFMFC-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001496864626 1017079951 /nfs/dbraw/zinc/07/99/51/1017079951.db2.gz URVVIZRDAJCVFB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(=O)NC ZINC001443982361 1007980563 /nfs/dbraw/zinc/98/05/63/1007980563.db2.gz FGOPENCJPNKWEG-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](C[NH2+]C[C@H](O)Cn1cccn1)N(C)C(=O)Cc1c[nH]cn1 ZINC001444678976 1008219001 /nfs/dbraw/zinc/21/90/01/1008219001.db2.gz HATJRSHZVOPAES-JSGCOSHPSA-N 1 3 320.397 -0.354 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445180763 1008295169 /nfs/dbraw/zinc/29/51/69/1008295169.db2.gz KUIRTEGJCGQCMJ-LSDHHAIUSA-N 1 3 321.425 -0.671 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001445180739 1008295897 /nfs/dbraw/zinc/29/58/97/1008295897.db2.gz KUIRTEGJCGQCMJ-CABCVRRESA-N 1 3 321.425 -0.671 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]C[C@H]2CCCOC2)CCC1 ZINC001445188810 1008297842 /nfs/dbraw/zinc/29/78/42/1008297842.db2.gz KZCBOCIXDIDBIW-KGLIPLIRSA-N 1 3 313.442 -0.036 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2cncn2C)C1 ZINC001445254361 1008321509 /nfs/dbraw/zinc/32/15/09/1008321509.db2.gz ZIDYLAUNHLFYFR-TZMCWYRMSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)CC[NH+]2CCCCC2)cn1 ZINC001445276110 1008357179 /nfs/dbraw/zinc/35/71/79/1008357179.db2.gz ZPYIKNQHJZUGSU-HNNXBMFYSA-N 1 3 323.441 -0.137 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001445614758 1008405697 /nfs/dbraw/zinc/40/56/97/1008405697.db2.gz JPSUPFVQESVCKC-NWDGAFQWSA-N 1 3 324.429 -0.713 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@@H](C)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001445647028 1008412923 /nfs/dbraw/zinc/41/29/23/1008412923.db2.gz YYMLXFBBMJVATG-WCQYABFASA-N 1 3 320.397 -0.387 20 0 DBADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)NC ZINC001446005332 1008460367 /nfs/dbraw/zinc/46/03/67/1008460367.db2.gz GAXOFFYZZKGHRD-YPMHNXCESA-N 1 3 307.398 -0.085 20 0 DBADHO C[NH+](C)CC1(C(=O)NCC2(N[C@H]3CCCNC3=O)CC2)CC1 ZINC001446237500 1008494841 /nfs/dbraw/zinc/49/48/41/1008494841.db2.gz VMJGJZOBJDILPR-LBPRGKRZSA-N 1 3 308.426 -0.155 20 0 DBADHO CNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001446620780 1008617068 /nfs/dbraw/zinc/61/70/68/1008617068.db2.gz XLKCQPBAIVCCLZ-XJKSGUPXSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001446675757 1008664463 /nfs/dbraw/zinc/66/44/63/1008664463.db2.gz UAVMEDPAXGTPEA-CYBMUJFWSA-N 1 3 307.398 -0.037 20 0 DBADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001459264455 1009002381 /nfs/dbraw/zinc/00/23/81/1009002381.db2.gz HGDNGWPRRGTOLI-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)N(C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001459264455 1009002398 /nfs/dbraw/zinc/00/23/98/1009002398.db2.gz HGDNGWPRRGTOLI-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001447908490 1009385290 /nfs/dbraw/zinc/38/52/90/1009385290.db2.gz BGWDPSJLOWQDLF-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO Cc1ncccc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497113750 1017277676 /nfs/dbraw/zinc/27/76/76/1017277676.db2.gz MIEPEPTUYDLPNZ-GJZGRUSLSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1ncccc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497113750 1017277691 /nfs/dbraw/zinc/27/76/91/1017277691.db2.gz MIEPEPTUYDLPNZ-GJZGRUSLSA-N 1 3 306.410 -0.092 20 0 DBADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](C[C@H](O)COC)C1)N(C)C ZINC001448317888 1009705253 /nfs/dbraw/zinc/70/52/53/1009705253.db2.gz PWSINUYDHBSVAM-FPMFFAJLSA-N 1 3 301.431 -0.230 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001448610728 1009826983 /nfs/dbraw/zinc/82/69/83/1009826983.db2.gz WUDDJFKXDJPORX-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448610728 1009826984 /nfs/dbraw/zinc/82/69/84/1009826984.db2.gz WUDDJFKXDJPORX-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+][C@@H]1CCCNC1=O ZINC001448627451 1009829878 /nfs/dbraw/zinc/82/98/78/1009829878.db2.gz CTQYVGPKGUQRNH-NXEZZACHSA-N 1 3 307.354 -0.489 20 0 DBADHO C[C@H](CCNC(=O)Cc1ncc[nH]1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001448623849 1009830285 /nfs/dbraw/zinc/83/02/85/1009830285.db2.gz ONHQMHATCUGHQF-NEPJUHHUSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@H](CCNC(=O)Cc1ncc[nH]1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448623849 1009830286 /nfs/dbraw/zinc/83/02/86/1009830286.db2.gz ONHQMHATCUGHQF-NEPJUHHUSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@H](CN(C)C(=O)C(F)F)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001448623834 1009830304 /nfs/dbraw/zinc/83/03/04/1009830304.db2.gz YFGRKCXCYGBQKO-BDAKNGLRSA-N 1 3 322.356 -0.719 20 0 DBADHO C[C@H](CN(C)C(=O)c1cn[nH]c1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001448624605 1009830480 /nfs/dbraw/zinc/83/04/80/1009830480.db2.gz BQQNOUVSLMGZGD-SECBINFHSA-N 1 3 322.369 -0.552 20 0 DBADHO C[C@@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1nccn1C ZINC001448625578 1009830695 /nfs/dbraw/zinc/83/06/95/1009830695.db2.gz FKKLQHYSSNYOBL-NSHDSACASA-N 1 3 307.398 -0.117 20 0 DBADHO Cc1cnc(C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(N)=O)cn1 ZINC001448626967 1009831089 /nfs/dbraw/zinc/83/10/89/1009831089.db2.gz UEKHFTAWQDPVLF-VIFPVBQESA-N 1 3 308.342 -0.970 20 0 DBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001448736516 1009859725 /nfs/dbraw/zinc/85/97/25/1009859725.db2.gz NAWHJQLMHCCXGH-GFCCVEGCSA-N 1 3 324.429 -0.759 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001448777638 1009874104 /nfs/dbraw/zinc/87/41/04/1009874104.db2.gz PHACKLWZZHOWOX-NSHDSACASA-N 1 3 315.418 -0.781 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001479413183 1010283867 /nfs/dbraw/zinc/28/38/67/1010283867.db2.gz AGDICXZYRJKSMA-AVGNSLFASA-N 1 3 317.455 -0.533 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001479413183 1010283887 /nfs/dbraw/zinc/28/38/87/1010283887.db2.gz AGDICXZYRJKSMA-AVGNSLFASA-N 1 3 317.455 -0.533 20 0 DBADHO CN(C[C@@H](O)CNCc1ccnn1C)C(=O)C12CC[NH+](CC1)C2 ZINC001449159958 1010327157 /nfs/dbraw/zinc/32/71/57/1010327157.db2.gz MKEPSQHTKDFRCV-AWEZNQCLSA-N 1 3 321.425 -0.575 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001449166399 1010332171 /nfs/dbraw/zinc/33/21/71/1010332171.db2.gz WRHCGKTYOHQBJQ-DZGCQCFKSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001449166399 1010332179 /nfs/dbraw/zinc/33/21/79/1010332179.db2.gz WRHCGKTYOHQBJQ-DZGCQCFKSA-N 1 3 323.441 -0.329 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449174869 1010341683 /nfs/dbraw/zinc/34/16/83/1010341683.db2.gz FBKNLFJMWFSJPE-HIFRSBDPSA-N 1 3 323.441 -0.411 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449174869 1010341696 /nfs/dbraw/zinc/34/16/96/1010341696.db2.gz FBKNLFJMWFSJPE-HIFRSBDPSA-N 1 3 323.441 -0.411 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCN1CCOCCO ZINC001479718821 1010349460 /nfs/dbraw/zinc/34/94/60/1010349460.db2.gz YESOSPJQXUZLBB-HIFRSBDPSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001449190681 1010355099 /nfs/dbraw/zinc/35/50/99/1010355099.db2.gz OREVUBYAFCMNJI-KBPBESRZSA-N 1 3 301.431 -0.228 20 0 DBADHO CN(CCO)C[C@@H](O)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001449212612 1010380519 /nfs/dbraw/zinc/38/05/19/1010380519.db2.gz IGBOYTKYOSHLJB-CQSZACIVSA-N 1 3 313.442 -0.394 20 0 DBADHO CNC(=O)[C@H](C)N[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001480043367 1010513926 /nfs/dbraw/zinc/51/39/26/1010513926.db2.gz NNNVXXVFIASIKT-WCQYABFASA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H]([NH2+][C@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC1CC1 ZINC001480114730 1010541520 /nfs/dbraw/zinc/54/15/20/1010541520.db2.gz KBNBCCBURUANBK-KWCYVHTRSA-N 1 3 308.426 -0.062 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001480233563 1010584359 /nfs/dbraw/zinc/58/43/59/1010584359.db2.gz GJHLNGUHTHHRFQ-BETUJISGSA-N 1 3 324.425 -0.286 20 0 DBADHO C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCNC1=O ZINC001480485612 1010663466 /nfs/dbraw/zinc/66/34/66/1010663466.db2.gz FFYQKLHJVKKWGW-QWHCGFSZSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H](CNC(=O)CCCC[NH+](C)C)N[C@H]1CCC(=O)NC1=O ZINC001480573467 1010699181 /nfs/dbraw/zinc/69/91/81/1010699181.db2.gz MICMDTHPAXNLJM-RYUDHWBXSA-N 1 3 312.414 -0.382 20 0 DBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001480572994 1010699609 /nfs/dbraw/zinc/69/96/09/1010699609.db2.gz YLWRUEIPZYIUQF-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001480572994 1010699612 /nfs/dbraw/zinc/69/96/12/1010699612.db2.gz YLWRUEIPZYIUQF-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001450480657 1010739630 /nfs/dbraw/zinc/73/96/30/1010739630.db2.gz QJUQSMMMXFHRTK-CYBMUJFWSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001480770019 1010756075 /nfs/dbraw/zinc/75/60/75/1010756075.db2.gz KKDKGBPFRPPCIQ-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)CN(C)C1CCC1 ZINC001481240348 1010871187 /nfs/dbraw/zinc/87/11/87/1010871187.db2.gz FWTRVJKFDQFFHW-UHFFFAOYSA-N 1 3 324.425 -0.332 20 0 DBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001481302464 1010886958 /nfs/dbraw/zinc/88/69/58/1010886958.db2.gz LZZHXMXZRUKJKR-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001481302464 1010886965 /nfs/dbraw/zinc/88/69/65/1010886965.db2.gz LZZHXMXZRUKJKR-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001481317474 1010889670 /nfs/dbraw/zinc/88/96/70/1010889670.db2.gz GJRCFCYDELBXEL-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CCNC(=O)CNC[C@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482283852 1011106825 /nfs/dbraw/zinc/10/68/25/1011106825.db2.gz QHUKNVVOOZRVPR-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001452131591 1011112717 /nfs/dbraw/zinc/11/27/17/1011112717.db2.gz FDISBKCJTDDYHA-GFCCVEGCSA-N 1 3 307.398 -0.179 20 0 DBADHO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001452131591 1011112718 /nfs/dbraw/zinc/11/27/18/1011112718.db2.gz FDISBKCJTDDYHA-GFCCVEGCSA-N 1 3 307.398 -0.179 20 0 DBADHO Cc1nc([C@@H](C)NC[C@H](O)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001482763936 1011409160 /nfs/dbraw/zinc/40/91/60/1011409160.db2.gz GESYTFAYCXMIDB-MFKMUULPSA-N 1 3 324.429 -0.417 20 0 DBADHO COCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001482773312 1011429519 /nfs/dbraw/zinc/42/95/19/1011429519.db2.gz AAYLGSPYKFXVNS-KGLIPLIRSA-N 1 3 301.431 -0.036 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C ZINC001483140318 1011726297 /nfs/dbraw/zinc/72/62/97/1011726297.db2.gz LUBHIFIAOSEBHV-GMTAPVOTSA-N 1 3 315.418 -0.735 20 0 DBADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483293872 1011830201 /nfs/dbraw/zinc/83/02/01/1011830201.db2.gz LVJFOVCEQVTVDJ-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CNCC(=O)N(C)CC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001483293872 1011830207 /nfs/dbraw/zinc/83/02/07/1011830207.db2.gz LVJFOVCEQVTVDJ-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001483958108 1012230973 /nfs/dbraw/zinc/23/09/73/1012230973.db2.gz FVWAIXWYBKNEQV-NSHDSACASA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@]1(C[NH2+]CCOCCO)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484113381 1012313431 /nfs/dbraw/zinc/31/34/31/1012313431.db2.gz GFXDWUXULLXQGG-HNNXBMFYSA-N 1 3 310.398 -0.211 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)CN2CCCC2)C1 ZINC001455468882 1012412655 /nfs/dbraw/zinc/41/26/55/1012412655.db2.gz JPLOTUJIBUTPNT-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)CN2CCCC2)C1 ZINC001455468882 1012412662 /nfs/dbraw/zinc/41/26/62/1012412662.db2.gz JPLOTUJIBUTPNT-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@]2(CO)CCCN(CCCO)C2)CC1 ZINC001484442613 1012656495 /nfs/dbraw/zinc/65/64/95/1012656495.db2.gz HXSOHBPTIBUTHT-MRXNPFEDSA-N 1 3 313.442 -0.346 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)C1(N(C)C)CCC1 ZINC001484484716 1012710007 /nfs/dbraw/zinc/71/00/07/1012710007.db2.gz HJSAQFYKGPADND-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO C[NH+](C)CCCC(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001456571361 1012759510 /nfs/dbraw/zinc/75/95/10/1012759510.db2.gz NUMJQYLOWGHIFP-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484539578 1012767415 /nfs/dbraw/zinc/76/74/15/1012767415.db2.gz OITLCKLTXFULKN-OCCSQVGLSA-N 1 3 310.398 -0.212 20 0 DBADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001484693442 1012833424 /nfs/dbraw/zinc/83/34/24/1012833424.db2.gz UQKIIIQLJHABBM-KBPBESRZSA-N 1 3 324.429 -0.565 20 0 DBADHO CC[C@@H](NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O ZINC001484695328 1012834435 /nfs/dbraw/zinc/83/44/35/1012834435.db2.gz COYPYFHIEFWPNJ-QWHCGFSZSA-N 1 3 324.425 -0.837 20 0 DBADHO C[C@@H](O)C[NH+]1CCC(CO)(NC(=O)CN(C)C2CCC2)CC1 ZINC001485019090 1012947576 /nfs/dbraw/zinc/94/75/76/1012947576.db2.gz DLOYHLVGTRCQRT-CYBMUJFWSA-N 1 3 313.442 -0.205 20 0 DBADHO COCC[NH+]1CCC(CO)(NC(=O)CN(C)C(C)C)CC1 ZINC001485026919 1012953480 /nfs/dbraw/zinc/95/34/80/1012953480.db2.gz IINYYPWTEPWSNW-UHFFFAOYSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001485108983 1012999787 /nfs/dbraw/zinc/99/97/87/1012999787.db2.gz UUVDAWREYCXPSL-BPCQOVAHSA-N 1 3 324.425 -0.382 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2ccccn2)CC[N@@H+]1C ZINC001496978577 1017157580 /nfs/dbraw/zinc/15/75/80/1017157580.db2.gz GLRUTPLUABGWOK-VHDGCEQUSA-N 1 3 306.410 -0.012 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2ccccn2)CC[N@H+]1C ZINC001496978577 1017157589 /nfs/dbraw/zinc/15/75/89/1017157589.db2.gz GLRUTPLUABGWOK-VHDGCEQUSA-N 1 3 306.410 -0.012 20 0 DBADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496997175 1017180594 /nfs/dbraw/zinc/18/05/94/1017180594.db2.gz FAIWPEKAPNSFQH-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001496997175 1017180603 /nfs/dbraw/zinc/18/06/03/1017180603.db2.gz FAIWPEKAPNSFQH-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCN1C(=O)CCC1=O ZINC001497649432 1017452182 /nfs/dbraw/zinc/45/21/82/1017452182.db2.gz ISBHXJWZBUAYDT-XQJDBVBESA-N 1 3 322.409 -0.508 20 0 DBADHO CCC[N@@H+]1CCC[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001500713982 1018423271 /nfs/dbraw/zinc/42/32/71/1018423271.db2.gz FRZCSZVWRPLCON-GOEBONIOSA-N 1 3 313.442 -0.346 20 0 DBADHO CCC[N@H+]1CCC[C@H](C(=O)NC[C@]2(O)CCN(CCO)C2)C1 ZINC001500713982 1018423274 /nfs/dbraw/zinc/42/32/74/1018423274.db2.gz FRZCSZVWRPLCON-GOEBONIOSA-N 1 3 313.442 -0.346 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001500756683 1018445367 /nfs/dbraw/zinc/44/53/67/1018445367.db2.gz HYOUCSITXASDHQ-CZUORRHYSA-N 1 3 322.409 -0.150 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001500756683 1018445377 /nfs/dbraw/zinc/44/53/77/1018445377.db2.gz HYOUCSITXASDHQ-CZUORRHYSA-N 1 3 322.409 -0.150 20 0 DBADHO CC[C@@H](NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1)C(N)=O ZINC001502074516 1018970364 /nfs/dbraw/zinc/97/03/64/1018970364.db2.gz JARACKHMDFNSSY-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(N)=O ZINC001502075063 1018971145 /nfs/dbraw/zinc/97/11/45/1018971145.db2.gz URFCUHDTDVMMBS-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[C@H](NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1)C(N)=O ZINC001502074517 1018972869 /nfs/dbraw/zinc/97/28/69/1018972869.db2.gz JARACKHMDFNSSY-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CC[C@@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1)C(N)=O ZINC001502074514 1018973820 /nfs/dbraw/zinc/97/38/20/1018973820.db2.gz JARACKHMDFNSSY-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CCCO)C1)N(C)C ZINC001502588188 1019099997 /nfs/dbraw/zinc/09/99/97/1019099997.db2.gz BTLLTSSFZYVMDG-ZFWWWQNUSA-N 1 3 301.431 -0.348 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1)N(C)C ZINC001502588187 1019101085 /nfs/dbraw/zinc/10/10/85/1019101085.db2.gz BTLLTSSFZYVMDG-DZGCQCFKSA-N 1 3 301.431 -0.348 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001502604768 1019111453 /nfs/dbraw/zinc/11/14/53/1019111453.db2.gz RDJQVUBBXJHNNH-GOEBONIOSA-N 1 3 313.442 -0.204 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001502604767 1019113567 /nfs/dbraw/zinc/11/35/67/1019113567.db2.gz RDJQVUBBXJHNNH-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001502873127 1019207124 /nfs/dbraw/zinc/20/71/24/1019207124.db2.gz KRMCFXICCYJPCV-CYBMUJFWSA-N 1 3 313.442 -0.205 20 0 DBADHO COCCN1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001505375188 1019273033 /nfs/dbraw/zinc/27/30/33/1019273033.db2.gz CGLHZVCNNKQRFN-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO COCCN1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001505375188 1019273042 /nfs/dbraw/zinc/27/30/42/1019273042.db2.gz CGLHZVCNNKQRFN-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)(C[NH2+]C[C@@H]1CCCN(C(=O)CN)C1)CS(C)(=O)=O ZINC001575334714 1019536627 /nfs/dbraw/zinc/53/66/27/1019536627.db2.gz PGLFIVJJDMNHRC-LBPRGKRZSA-N 1 3 319.471 -0.156 20 0 DBADHO CC(C)(CNS(N)(=O)=O)NCc1cccc2c1CC[NH2+]C2 ZINC001575334484 1019536710 /nfs/dbraw/zinc/53/67/10/1019536710.db2.gz LEXZMKMOISSMKQ-UHFFFAOYSA-N 1 3 312.439 -0.006 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H]2CCN2C(=O)CC[NH+](C)C)C1 ZINC001505890794 1019572141 /nfs/dbraw/zinc/57/21/41/1019572141.db2.gz YDCHPJRDYOUCEP-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001575514644 1019619454 /nfs/dbraw/zinc/61/94/54/1019619454.db2.gz XNGLDAGNPPENQJ-ZDUSSCGKSA-N 1 3 308.426 -0.344 20 0 DBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCn1cncn1 ZINC001506037923 1019683290 /nfs/dbraw/zinc/68/32/90/1019683290.db2.gz CNHBVIFRDRCBIP-CYBMUJFWSA-N 1 3 306.414 -0.190 20 0 DBADHO C[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)CN1CCN(C)CC1 ZINC001576008509 1019791342 /nfs/dbraw/zinc/79/13/42/1019791342.db2.gz PSGGSGFTUNLEGH-MCIONIFRSA-N 1 3 300.422 -0.066 20 0 DBADHO C[C@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC001576573309 1019869527 /nfs/dbraw/zinc/86/95/27/1019869527.db2.gz QLNITVHTBSTLJM-STQMWFEESA-N 1 3 302.444 -0.305 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNCc2c[nH]nn2)CC[N@@H+]1C ZINC001576609063 1019872303 /nfs/dbraw/zinc/87/23/03/1019872303.db2.gz PSMAAJSLDABZBL-UONOGXRCSA-N 1 3 324.429 -0.555 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCNCc2c[nH]nn2)CC[N@H+]1C ZINC001576609063 1019872314 /nfs/dbraw/zinc/87/23/14/1019872314.db2.gz PSMAAJSLDABZBL-UONOGXRCSA-N 1 3 324.429 -0.555 20 0 DBADHO C[C@H]1CN(C2CCC2)CCN(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC001576797130 1019890536 /nfs/dbraw/zinc/89/05/36/1019890536.db2.gz AHBZCTJBQCZDKF-ZDUSSCGKSA-N 1 3 316.471 -0.057 20 0 DBADHO C[C@@H]1C[NH+](CCCNC(=O)C2=NOC3(CNC3)C2)C[C@@H](C)O1 ZINC001576806826 1019893684 /nfs/dbraw/zinc/89/36/84/1019893684.db2.gz JQCBBZSJOICKRV-VXGBXAGGSA-N 1 3 310.398 -0.280 20 0 DBADHO C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@@H](C)CN1CCO ZINC001576800042 1019893747 /nfs/dbraw/zinc/89/37/47/1019893747.db2.gz FXOHRHHYWISWJJ-ILXRZTDVSA-N 1 3 312.458 -0.429 20 0 DBADHO C[C@@H]1C[N@@H+](C[C@H]2CCCN(C(=O)CN)C2)[C@@H](C)CN1CCO ZINC001576800042 1019893749 /nfs/dbraw/zinc/89/37/49/1019893749.db2.gz FXOHRHHYWISWJJ-ILXRZTDVSA-N 1 3 312.458 -0.429 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1 ZINC001506902617 1019993876 /nfs/dbraw/zinc/99/38/76/1019993876.db2.gz AEZIJUWTMAADSC-XYPYZODXSA-N 1 3 313.402 -0.993 20 0 DBADHO CN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001577057358 1019995218 /nfs/dbraw/zinc/99/52/18/1019995218.db2.gz PXFNGCNQKRBQPI-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001577057358 1019995238 /nfs/dbraw/zinc/99/52/38/1019995238.db2.gz PXFNGCNQKRBQPI-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)COC1CC[NH+](C)CC1)NCC(N)=O ZINC001507138722 1020105673 /nfs/dbraw/zinc/10/56/73/1020105673.db2.gz OWPWKGKWFFNAKT-LLVKDONJSA-N 1 3 300.403 -0.981 20 0 DBADHO O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@@H](NCc2c[nH]nn2)C1 ZINC001577758396 1020119252 /nfs/dbraw/zinc/11/92/52/1020119252.db2.gz LTTIZRPQSPQQSP-TZMCWYRMSA-N 1 3 304.398 -0.163 20 0 DBADHO CN(C)CC1CN(C(=O)C[C@@H]2CS(=O)(=O)[C@H]3C[NH2+]C[C@@H]32)C1 ZINC001578412483 1020231395 /nfs/dbraw/zinc/23/13/95/1020231395.db2.gz NTFDBMXMQRRJGL-UPJWGTAASA-N 1 3 315.439 -0.971 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001578417031 1020233073 /nfs/dbraw/zinc/23/30/73/1020233073.db2.gz LVJALBVMYAVZGK-XJKSGUPXSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@@H](N)CC2CC2)cn1 ZINC001578418984 1020235283 /nfs/dbraw/zinc/23/52/83/1020235283.db2.gz UAUKMOJRGNABIV-ZDUSSCGKSA-N 1 3 322.413 -0.373 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC3(C2)CC[NH2+]CC3)CC1=O ZINC001578418662 1020235569 /nfs/dbraw/zinc/23/55/69/1020235569.db2.gz NOCPELCVOOHKER-CYBMUJFWSA-N 1 3 308.426 -0.392 20 0 DBADHO CN(CC(=O)N1CCC(OC2C[NH2+]C2)CC1)[C@@H]1CCC[C@H]1O ZINC001578434555 1020239655 /nfs/dbraw/zinc/23/96/55/1020239655.db2.gz HEAQSQXQLLQHLK-HUUCEWRRSA-N 1 3 311.426 -0.189 20 0 DBADHO CN(CCN1CCOC(C)(C)C1)C[C@H]1CC2(C[NH2+]C2)C(=O)O1 ZINC001578471257 1020245147 /nfs/dbraw/zinc/24/51/47/1020245147.db2.gz BUZLFSPMMOUOOY-CYBMUJFWSA-N 1 3 311.426 -0.066 20 0 DBADHO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001578559268 1020270837 /nfs/dbraw/zinc/27/08/37/1020270837.db2.gz LJMBVABFRGYUFS-LLVKDONJSA-N 1 3 309.374 -0.781 20 0 DBADHO CNC(=O)NC(=O)CC[N@H+]1CCC[C@@H](n2cc(CN)nn2)C1 ZINC001578559268 1020270842 /nfs/dbraw/zinc/27/08/42/1020270842.db2.gz LJMBVABFRGYUFS-LLVKDONJSA-N 1 3 309.374 -0.781 20 0 DBADHO CN[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1cnn(C)c1 ZINC001578568033 1020272652 /nfs/dbraw/zinc/27/26/52/1020272652.db2.gz FWEVAJHCULWSMR-AWEZNQCLSA-N 1 3 310.446 -0.320 20 0 DBADHO CN[C@H](C(=O)NCCC[N@@H+](C)CCN(C)C)c1cnn(C)c1 ZINC001578568033 1020272657 /nfs/dbraw/zinc/27/26/57/1020272657.db2.gz FWEVAJHCULWSMR-AWEZNQCLSA-N 1 3 310.446 -0.320 20 0 DBADHO CN[C@H](C(=O)NCCCN(C)CC[NH+](C)C)c1cnn(C)c1 ZINC001578568033 1020272662 /nfs/dbraw/zinc/27/26/62/1020272662.db2.gz FWEVAJHCULWSMR-AWEZNQCLSA-N 1 3 310.446 -0.320 20 0 DBADHO C[NH2+]C[C@H](O)CN(C)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001578646200 1020279794 /nfs/dbraw/zinc/27/97/94/1020279794.db2.gz BZGFZYPNNPYNNM-KBPBESRZSA-N 1 3 314.430 -0.539 20 0 DBADHO COC[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507485160 1020377938 /nfs/dbraw/zinc/37/79/38/1020377938.db2.gz RLLBSPJKOJGLQJ-OLZOCXBDSA-N 1 3 301.431 -0.086 20 0 DBADHO CS(=O)(=O)N1CC(CN2CCC(OCCC[NH3+])CC2)C1 ZINC001579342015 1020417826 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ZINC000643552828 374269029 /nfs/dbraw/zinc/26/90/29/374269029.db2.gz PFMAIDXPXYVTJH-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000607679284 374273044 /nfs/dbraw/zinc/27/30/44/374273044.db2.gz YZOSDBMRAAOVOB-GFCCVEGCSA-N 1 3 322.413 -0.549 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000607679284 374273048 /nfs/dbraw/zinc/27/30/48/374273048.db2.gz YZOSDBMRAAOVOB-GFCCVEGCSA-N 1 3 322.413 -0.549 20 0 DBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@H](C(C)C)N1CCN(C)CC1 ZINC000232118067 374286380 /nfs/dbraw/zinc/28/63/80/374286380.db2.gz DOYKDSIIMPBMNU-ZIAGYGMSSA-N 1 3 300.447 -0.262 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N(C)C ZINC000643591536 374288948 /nfs/dbraw/zinc/28/89/48/374288948.db2.gz GHAWMAXFNKOWIM-YIYPIFLZSA-N 1 3 308.426 -0.252 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000643591566 374290448 /nfs/dbraw/zinc/29/04/48/374290448.db2.gz MUNHZTCGDYTAFY-XDQVBPFNSA-N 1 3 308.426 -0.123 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)CCO1 ZINC000642698842 374291553 /nfs/dbraw/zinc/29/15/53/374291553.db2.gz VVGHXHSPYQNWSY-RYUDHWBXSA-N 1 3 312.414 -0.839 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000642698742 374291715 /nfs/dbraw/zinc/29/17/15/374291715.db2.gz KUHZPLCCNVKDCS-OLZOCXBDSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000642732183 374466411 /nfs/dbraw/zinc/46/64/11/374466411.db2.gz VJDCTFHQMJLSJZ-MJBXVCDLSA-N 1 3 308.426 -0.345 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000642731722 374466460 /nfs/dbraw/zinc/46/64/60/374466460.db2.gz SZXRCTQRHGYJBM-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)C[C@@H]21 ZINC000584039224 374472924 /nfs/dbraw/zinc/47/29/24/374472924.db2.gz NMSDHUJKVBMCAU-KFWWJZLASA-N 1 3 320.437 -0.154 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)C1CC1 ZINC000642756045 374495309 /nfs/dbraw/zinc/49/53/09/374495309.db2.gz LWHDFRWJHOIGGL-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)N(C)C1CC1 ZINC000642773274 374512978 /nfs/dbraw/zinc/51/29/78/374512978.db2.gz IAAZVVYBCKYPLA-BZPMIXESSA-N 1 3 308.426 -0.204 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000642786013 374574383 /nfs/dbraw/zinc/57/43/83/374574383.db2.gz WVQKPXPXBIBPBS-RRFJBIMHSA-N 1 3 320.437 -0.203 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000152726650 374969209 /nfs/dbraw/zinc/96/92/09/374969209.db2.gz APJKRWJUNWHIBD-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000642904998 374980134 /nfs/dbraw/zinc/98/01/34/374980134.db2.gz DHIBWAGIIVIDDS-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000237473094 375015861 /nfs/dbraw/zinc/01/58/61/375015861.db2.gz GTHQYEHXRJDNNG-BFHYXJOUSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000642922203 375026155 /nfs/dbraw/zinc/02/61/55/375026155.db2.gz UWNKEZRRRVNGJV-MGPQQGTHSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(NC[C@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261862600 375135695 /nfs/dbraw/zinc/13/56/95/375135695.db2.gz KNOPTXWTHIKVMQ-CVEARBPZSA-N 1 3 324.469 -0.101 20 0 DBADHO O=C(NC[C@@H]1CCCN(CCN2CCOCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261862630 375136080 /nfs/dbraw/zinc/13/60/80/375136080.db2.gz KNOPTXWTHIKVMQ-HOTGVXAUSA-N 1 3 324.469 -0.101 20 0 DBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642947302 375192392 /nfs/dbraw/zinc/19/23/92/375192392.db2.gz SEMILYBWTCYXFY-AWEZNQCLSA-N 1 3 319.409 -0.170 20 0 DBADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3COCCN3)C2)CC1 ZINC000570512145 375367372 /nfs/dbraw/zinc/36/73/72/375367372.db2.gz CPJNINAOWNKOKO-CVEARBPZSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642985363 375472631 /nfs/dbraw/zinc/47/26/31/375472631.db2.gz FAJHMWXEXJZMFE-RFQIPJPRSA-N 1 3 308.426 -0.204 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCN(c2ccncc2)CC1)C1CC1 ZINC000642960449 375464060 /nfs/dbraw/zinc/46/40/60/375464060.db2.gz SFANEPXYNORFHT-AWEZNQCLSA-N 1 3 317.393 -0.416 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CC[C@@H]21 ZINC000642960670 375466107 /nfs/dbraw/zinc/46/61/07/375466107.db2.gz WXORYGJFACGSHQ-MCIONIFRSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@H](CN)C3CC3)CC[C@@H]21 ZINC000642960670 375466112 /nfs/dbraw/zinc/46/61/12/375466112.db2.gz WXORYGJFACGSHQ-MCIONIFRSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000642961781 375469352 /nfs/dbraw/zinc/46/93/52/375469352.db2.gz WOKAZBNQKRHKFP-MELADBBJSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000642961781 375469356 /nfs/dbraw/zinc/46/93/56/375469356.db2.gz WOKAZBNQKRHKFP-MELADBBJSA-N 1 3 308.426 -0.217 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)N2CCN(c3ccncc3)CC2)CCC1 ZINC000642979336 375470843 /nfs/dbraw/zinc/47/08/43/375470843.db2.gz KTHASNPVVHPITL-UHFFFAOYSA-N 1 3 317.393 -0.272 20 0 DBADHO COC(=O)C1CCN(CCCNC(=O)COCC[NH3+])CC1 ZINC000592138993 375781232 /nfs/dbraw/zinc/78/12/32/375781232.db2.gz UFKGRQXUHYCDDR-UHFFFAOYSA-N 1 3 301.387 -0.647 20 0 DBADHO COC(=O)c1cn([C@@H]2CCCN(CCN3CC[NH2+]CC3)C2)nn1 ZINC000592495655 375806104 /nfs/dbraw/zinc/80/61/04/375806104.db2.gz PLHYXHZIIRMZII-CYBMUJFWSA-N 1 3 322.413 -0.393 20 0 DBADHO [NH3+][C@@H]1C[C@@H]2CN(C(=O)c3cc4c(s3)CCNC4)CCN2C1=O ZINC000594877997 375963421 /nfs/dbraw/zinc/96/34/21/375963421.db2.gz AHHRLXXPIPBERZ-GHMZBOCLSA-N 1 3 320.418 -0.222 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3C(F)(F)F)CCN2C1=O ZINC000594878231 375963650 /nfs/dbraw/zinc/96/36/50/375963650.db2.gz UAKPNPJKWCBHRO-JLIMGVALSA-N 1 3 320.315 -0.845 20 0 DBADHO [NH3+][C@H]1C[C@H]2CN(C(=O)c3cc4c(s3)CCNC4)CCN2C1=O ZINC000594877999 375964283 /nfs/dbraw/zinc/96/42/83/375964283.db2.gz AHHRLXXPIPBERZ-QWRGUYRKSA-N 1 3 320.418 -0.222 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3C[NH2+]CCC3(F)F)CCN2C1=O ZINC000594879673 375965341 /nfs/dbraw/zinc/96/53/41/375965341.db2.gz GMGAKAOGFRKBKR-OPRDCNLKSA-N 1 3 302.325 -0.998 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCN2C1=O ZINC000594879645 375966470 /nfs/dbraw/zinc/96/64/70/375966470.db2.gz DRWFFYYWLIBTMK-XJFOESAGSA-N 1 3 306.410 -0.608 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)CCN2C1=O ZINC000594873662 375967434 /nfs/dbraw/zinc/96/74/34/375967434.db2.gz HYJZQKUZKYCVBS-KGLIPLIRSA-N 1 3 314.389 -0.747 20 0 DBADHO COC(=O)CCN1CCC[C@@H](N2CCC(O)(C[NH3+])CC2)C1=O ZINC000595892726 376043131 /nfs/dbraw/zinc/04/31/31/376043131.db2.gz LCDGTKBCYJPVPD-GFCCVEGCSA-N 1 3 313.398 -0.674 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595266312 375982095 /nfs/dbraw/zinc/98/20/95/375982095.db2.gz PVKIVNBIOSGDEZ-AAVRWANBSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@H]34)CCN2C1=O ZINC000595266312 375982103 /nfs/dbraw/zinc/98/21/03/375982103.db2.gz PVKIVNBIOSGDEZ-AAVRWANBSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CCN2C1=O ZINC000602523991 376451691 /nfs/dbraw/zinc/45/16/91/376451691.db2.gz JBUOCNCZZKIQOI-STQMWFEESA-N 1 3 306.410 -0.367 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COCC[C@H]1O ZINC000637265959 376762528 /nfs/dbraw/zinc/76/25/28/376762528.db2.gz TWENYLKPRIQGRR-BFHYXJOUSA-N 1 3 316.446 -0.293 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COCC[C@H]1O ZINC000637265959 376762537 /nfs/dbraw/zinc/76/25/37/376762537.db2.gz TWENYLKPRIQGRR-BFHYXJOUSA-N 1 3 316.446 -0.293 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262592364 377034090 /nfs/dbraw/zinc/03/40/90/377034090.db2.gz FXOPZRNCHIJICM-MCIONIFRSA-N 1 3 308.426 -0.251 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000531721080 377081980 /nfs/dbraw/zinc/08/19/80/377081980.db2.gz CIHHGZUUQUDRDU-ZIAGYGMSSA-N 1 3 308.426 -0.297 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000531721080 377081987 /nfs/dbraw/zinc/08/19/87/377081987.db2.gz CIHHGZUUQUDRDU-ZIAGYGMSSA-N 1 3 308.426 -0.297 20 0 DBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NCC[NH3+])CC1 ZINC000627399207 377128952 /nfs/dbraw/zinc/12/89/52/377128952.db2.gz IZUMENFEEMQKMO-UHFFFAOYSA-N 1 3 312.414 -0.835 20 0 DBADHO CN1CCN(C[C@H](O)C[NH2+][C@@H](CO)CN2CCCCC2)CC1 ZINC000571165751 377154810 /nfs/dbraw/zinc/15/48/10/377154810.db2.gz KOISXYWAMQQTLY-HZPDHXFCSA-N 1 3 314.474 -0.969 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000263242226 377183893 /nfs/dbraw/zinc/18/38/93/377183893.db2.gz LMTHYQOIYTUKOY-ZDUSSCGKSA-N 1 3 314.430 -0.687 20 0 DBADHO CN(C)C1(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)Cc2ccccc2C1 ZINC000269261305 377390428 /nfs/dbraw/zinc/39/04/28/377390428.db2.gz MKCIRZAXBOCOCP-CABCVRRESA-N 1 3 303.406 -0.075 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000637863862 377606298 /nfs/dbraw/zinc/60/62/98/377606298.db2.gz IOPUHAUVNDEJGP-HIFRSBDPSA-N 1 3 306.410 -0.334 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000637863861 377606510 /nfs/dbraw/zinc/60/65/10/377606510.db2.gz IOPUHAUVNDEJGP-DZGCQCFKSA-N 1 3 306.410 -0.334 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000637863805 377606636 /nfs/dbraw/zinc/60/66/36/377606636.db2.gz HDRCRADWAIFOER-JKSUJKDBSA-N 1 3 319.453 -0.453 20 0 DBADHO COCCOCCN(C)CCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000637865869 377607759 /nfs/dbraw/zinc/60/77/59/377607759.db2.gz JAUMJRDDRXCGLR-UONOGXRCSA-N 1 3 317.430 -0.454 20 0 DBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(N)C(F)(F)F)CC1 ZINC000353434681 377631875 /nfs/dbraw/zinc/63/18/75/377631875.db2.gz VPNAEXIDSOCGGS-LLVKDONJSA-N 1 3 324.347 -0.065 20 0 DBADHO COc1cnc(N2CC(N(C)C)C2)nc1N1CC([NH+](C)C)C1 ZINC000286686075 377864661 /nfs/dbraw/zinc/86/46/61/377864661.db2.gz ZTWCBICRYDLAHF-UHFFFAOYSA-N 1 3 306.414 -0.014 20 0 DBADHO COc1cnc(N2CC([NH+](C)C)C2)nc1N1CC(N(C)C)C1 ZINC000286686075 377864669 /nfs/dbraw/zinc/86/46/69/377864669.db2.gz ZTWCBICRYDLAHF-UHFFFAOYSA-N 1 3 306.414 -0.014 20 0 DBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638275970 377869204 /nfs/dbraw/zinc/86/92/04/377869204.db2.gz COSSKKSDQNJPAJ-SOUVJXGZSA-N 1 3 310.442 -0.269 20 0 DBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638275970 377869209 /nfs/dbraw/zinc/86/92/09/377869209.db2.gz COSSKKSDQNJPAJ-SOUVJXGZSA-N 1 3 310.442 -0.269 20 0 DBADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638339206 377879031 /nfs/dbraw/zinc/87/90/31/377879031.db2.gz FBZOJMHLRYICHP-ZBFHGGJFSA-N 1 3 310.442 -0.364 20 0 DBADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638339203 377879623 /nfs/dbraw/zinc/87/96/23/377879623.db2.gz FBZOJMHLRYICHP-GDBMZVCRSA-N 1 3 310.442 -0.364 20 0 DBADHO COC1CCN(C(C)(C)CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638108406 377843195 /nfs/dbraw/zinc/84/31/95/377843195.db2.gz MABYFJHKGMMDSU-UHFFFAOYSA-N 1 3 312.458 -0.103 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137773 377850861 /nfs/dbraw/zinc/85/08/61/377850861.db2.gz NJUYVDBDXUYHLE-INIZCTEOSA-N 1 3 312.458 -0.114 20 0 DBADHO CN1CCC[C@H](N2CCN(C(=O)CN3CC[NH2+]CC3)CC2)C1 ZINC000638140303 377851235 /nfs/dbraw/zinc/85/12/35/377851235.db2.gz YITPDLGFGHDFDS-HNNXBMFYSA-N 1 3 309.458 -0.870 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638136714 377851391 /nfs/dbraw/zinc/85/13/91/377851391.db2.gz ADDCGADAJSHGFG-GOEBONIOSA-N 1 3 312.458 -0.103 20 0 DBADHO COCCOCCN(C)CCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638173746 377854329 /nfs/dbraw/zinc/85/43/29/377854329.db2.gz JKZOWNIDSVOXDM-ZDUSSCGKSA-N 1 3 303.403 -0.843 20 0 DBADHO CN(C)CCn1cc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cn1 ZINC000638226660 377861188 /nfs/dbraw/zinc/86/11/88/377861188.db2.gz HUMQOIBHCRKMRH-HNNXBMFYSA-N 1 3 320.441 -0.436 20 0 DBADHO CN(C(=O)[C@@]1(C)CNCCO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638428181 377912156 /nfs/dbraw/zinc/91/21/56/377912156.db2.gz SKKZBMAHDKJAGT-NVXWUHKLSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C(=O)[C@@]1(C)CNCCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638428181 377912164 /nfs/dbraw/zinc/91/21/64/377912164.db2.gz SKKZBMAHDKJAGT-NVXWUHKLSA-N 1 3 324.469 -0.008 20 0 DBADHO CC(C)(O)CN1CCC([NH2+]CCN2CCCS2(=O)=O)CC1 ZINC000638571722 378003832 /nfs/dbraw/zinc/00/38/32/378003832.db2.gz WHEZBAAYCYPORY-UHFFFAOYSA-N 1 3 319.471 -0.153 20 0 DBADHO CN1CCC(O)(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638681576 378046694 /nfs/dbraw/zinc/04/66/94/378046694.db2.gz KREYOHQWAGOPRD-UHFFFAOYSA-N 1 3 313.423 -0.120 20 0 DBADHO CCC1(N2CCOCC2)CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638729588 378061243 /nfs/dbraw/zinc/06/12/43/378061243.db2.gz SGZHKIQNXFVGJC-UHFFFAOYSA-N 1 3 324.469 -0.005 20 0 DBADHO COCC(=O)N(C)CC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000534800044 378063564 /nfs/dbraw/zinc/06/35/64/378063564.db2.gz RILIRVJOMTXXNB-UHFFFAOYSA-N 1 3 302.419 -0.957 20 0 DBADHO CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CN2CCC1CC2 ZINC000638854535 378147843 /nfs/dbraw/zinc/14/78/43/378147843.db2.gz RCGPELJGOSJQMN-KBPBESRZSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CN2CCC1CC2 ZINC000638854537 378148191 /nfs/dbraw/zinc/14/81/91/378148191.db2.gz RCGPELJGOSJQMN-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN1CCC[C@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488251 378148637 /nfs/dbraw/zinc/14/86/37/378148637.db2.gz UUHFGAUIFHKNSX-LBPRGKRZSA-N 1 3 300.403 -0.932 20 0 DBADHO C[C@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CNCCO1 ZINC000638983236 378279137 /nfs/dbraw/zinc/27/91/37/378279137.db2.gz DTMVEGUGEDDGFH-OAHLLOKOSA-N 1 3 305.382 -0.192 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000119997777 378344242 /nfs/dbraw/zinc/34/42/42/378344242.db2.gz ICMLLDUGXWFFTE-UHFFFAOYSA-N 1 3 308.426 -0.151 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCOCC1=O ZINC000617507391 378369816 /nfs/dbraw/zinc/36/98/16/378369816.db2.gz UZGQRCGMZLXZNY-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCOCC1=O ZINC000617507391 378369820 /nfs/dbraw/zinc/36/98/20/378369820.db2.gz UZGQRCGMZLXZNY-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC000617505726 378370087 /nfs/dbraw/zinc/37/00/87/378370087.db2.gz NRIRYURSZXFWFR-STQMWFEESA-N 1 3 313.446 -0.082 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CCCN1C(N)=O ZINC000617505726 378370091 /nfs/dbraw/zinc/37/00/91/378370091.db2.gz NRIRYURSZXFWFR-STQMWFEESA-N 1 3 313.446 -0.082 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)N3CCNC(=O)C3)CC2)CC1 ZINC000051761786 378425290 /nfs/dbraw/zinc/42/52/90/378425290.db2.gz QXAUCVDRBYJGMB-UHFFFAOYSA-N 1 3 323.441 -0.314 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000167409088 378499453 /nfs/dbraw/zinc/49/94/53/378499453.db2.gz PACNMTDGIBBZKR-CQSZACIVSA-N 1 3 308.426 -0.105 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@H]1N(C)C ZINC000331776114 378538089 /nfs/dbraw/zinc/53/80/89/378538089.db2.gz OLQPJNKSLMJKSH-XJFOESAGSA-N 1 3 308.426 -0.537 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)CC[NH2+]1 ZINC000332590826 378545663 /nfs/dbraw/zinc/54/56/63/378545663.db2.gz LTVXLFCZEHZFPS-SYQHCUMBSA-N 1 3 308.426 -0.062 20 0 DBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2C)C1 ZINC000332654982 378546404 /nfs/dbraw/zinc/54/64/04/378546404.db2.gz VOHIDJUUWMABQS-MCIONIFRSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC[C@H]1[NH3+] ZINC000332610216 378546739 /nfs/dbraw/zinc/54/67/39/378546739.db2.gz LIVMTWCKTDHTOZ-ZOBORPQBSA-N 1 3 308.426 -0.123 20 0 DBADHO CN1CCC([NH+]2CCC(Nc3nc(N)nc(N)n3)CC2)CC1 ZINC000623911397 378577314 /nfs/dbraw/zinc/57/73/14/378577314.db2.gz ZVFDBAFXPYVAGO-UHFFFAOYSA-N 1 3 306.418 -0.911 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C(N)C(F)(F)F)C1 ZINC000353518196 378667498 /nfs/dbraw/zinc/66/74/98/378667498.db2.gz MWJCVRKHHUFIIW-RKDXNWHRSA-N 1 3 310.320 -0.420 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C(N)C(F)(F)F)C1 ZINC000353518196 378667507 /nfs/dbraw/zinc/66/75/07/378667507.db2.gz MWJCVRKHHUFIIW-RKDXNWHRSA-N 1 3 310.320 -0.420 20 0 DBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(N)C(F)(F)F)C1 ZINC000353518195 378667645 /nfs/dbraw/zinc/66/76/45/378667645.db2.gz MWJCVRKHHUFIIW-IUCAKERBSA-N 1 3 310.320 -0.420 20 0 DBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(N)C(F)(F)F)C1 ZINC000353518195 378667650 /nfs/dbraw/zinc/66/76/50/378667650.db2.gz MWJCVRKHHUFIIW-IUCAKERBSA-N 1 3 310.320 -0.420 20 0 DBADHO C[C@H](CN(C)C)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353540930 378669862 /nfs/dbraw/zinc/66/98/62/378669862.db2.gz HWJPYHQIWLLRFX-CHWSQXEVSA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@H](CN(C)C)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353540930 378669866 /nfs/dbraw/zinc/66/98/66/378669866.db2.gz HWJPYHQIWLLRFX-CHWSQXEVSA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354748128 378761964 /nfs/dbraw/zinc/76/19/64/378761964.db2.gz KYIMAWOCJLJVKR-KWCYVHTRSA-N 1 3 308.426 -0.156 20 0 DBADHO CN(C(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000354698557 378759590 /nfs/dbraw/zinc/75/95/90/378759590.db2.gz AREKTHUQUYGJSC-KBPBESRZSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@@H]1NCCc2ccccc21 ZINC000357233982 378928490 /nfs/dbraw/zinc/92/84/90/378928490.db2.gz ACSCIVZBPWXZLJ-CABCVRRESA-N 1 3 316.405 -0.142 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000357349533 378937940 /nfs/dbraw/zinc/93/79/40/378937940.db2.gz SVPUEJRAPURVPY-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CCOCCC[N@@H+]1CC[C@H](Nc2nc(N)nc(N)n2)[C@H](C)C1 ZINC000623976126 379068938 /nfs/dbraw/zinc/06/89/38/379068938.db2.gz ZGABQOYZTXXJDB-MNOVXSKESA-N 1 3 309.418 -0.332 20 0 DBADHO CCOCCC[N@H+]1CC[C@H](Nc2nc(N)nc(N)n2)[C@H](C)C1 ZINC000623976126 379068944 /nfs/dbraw/zinc/06/89/44/379068944.db2.gz ZGABQOYZTXXJDB-MNOVXSKESA-N 1 3 309.418 -0.332 20 0 DBADHO COCC[N@H+](C)CCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358695518 379076230 /nfs/dbraw/zinc/07/62/30/379076230.db2.gz UGKARNWDGGTRNW-AWEZNQCLSA-N 1 3 302.419 -0.680 20 0 DBADHO COCC[N@@H+](C)CCCNC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000358695518 379076239 /nfs/dbraw/zinc/07/62/39/379076239.db2.gz UGKARNWDGGTRNW-AWEZNQCLSA-N 1 3 302.419 -0.680 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000118879808 379603430 /nfs/dbraw/zinc/60/34/30/379603430.db2.gz AOTCYBVPKYWVFO-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000118879808 379603436 /nfs/dbraw/zinc/60/34/36/379603436.db2.gz AOTCYBVPKYWVFO-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000178836814 379738968 /nfs/dbraw/zinc/73/89/68/379738968.db2.gz WJWJCKBRYHGTGO-TZMCWYRMSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)COC2CNC2)CC1 ZINC000431059582 379796973 /nfs/dbraw/zinc/79/69/73/379796973.db2.gz WFOFHCBZBDXTCE-GASCZTMLSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)COC2CNC2)CC1 ZINC000431059582 379796978 /nfs/dbraw/zinc/79/69/78/379796978.db2.gz WFOFHCBZBDXTCE-GASCZTMLSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000584712646 379839691 /nfs/dbraw/zinc/83/96/91/379839691.db2.gz NXGSLFNFHHUFSH-HZSPNIEDSA-N 1 3 308.426 -0.203 20 0 DBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478838 379923036 /nfs/dbraw/zinc/92/30/36/379923036.db2.gz LRWALXFHHVMOSS-GFCCVEGCSA-N 1 3 303.366 -0.710 20 0 DBADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419771005 379963920 /nfs/dbraw/zinc/96/39/20/379963920.db2.gz XNLXYXDDBZJDLI-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419771006 379964453 /nfs/dbraw/zinc/96/44/53/379964453.db2.gz XNLXYXDDBZJDLI-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NCC[NH3+] ZINC000419819682 379973411 /nfs/dbraw/zinc/97/34/11/379973411.db2.gz QMTXSJYFTJOOOV-UHFFFAOYSA-N 1 3 310.373 -0.209 20 0 DBADHO C[NH+](C)C1(CNC(=O)C(=O)N(CCN)CCO)CCCCC1 ZINC000419828179 379975585 /nfs/dbraw/zinc/97/55/85/379975585.db2.gz UGVPIASOEQTYLQ-UHFFFAOYSA-N 1 3 314.430 -0.853 20 0 DBADHO C[NH+](C)CCn1nccc1NC(=O)NCCN1CC[C@H](O)C1 ZINC000626573900 379946991 /nfs/dbraw/zinc/94/69/91/379946991.db2.gz KKTWCXNGQAIDQQ-LBPRGKRZSA-N 1 3 310.402 -0.367 20 0 DBADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000419700790 379956334 /nfs/dbraw/zinc/95/63/34/379956334.db2.gz YCNSOEDYKVXKHF-MJBXVCDLSA-N 1 3 320.437 -0.203 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000419718379 379957616 /nfs/dbraw/zinc/95/76/16/379957616.db2.gz ASBGZOXPLMVJSR-MGPQQGTHSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419902346 379991826 /nfs/dbraw/zinc/99/18/26/379991826.db2.gz DJFGSNZAGMBOBC-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000420008394 380007164 /nfs/dbraw/zinc/00/71/64/380007164.db2.gz UIPSLKFGQKHSAL-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420016215 380008684 /nfs/dbraw/zinc/00/86/84/380008684.db2.gz MIFSRBLXFBOEAF-SCRDCRAPSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000420016215 380008691 /nfs/dbraw/zinc/00/86/91/380008691.db2.gz MIFSRBLXFBOEAF-SCRDCRAPSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420028164 380020848 /nfs/dbraw/zinc/02/08/48/380020848.db2.gz DMPKDBYMZSIPPC-MNOVXSKESA-N 1 3 300.403 -0.764 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420028166 380020909 /nfs/dbraw/zinc/02/09/09/380020909.db2.gz DMPKDBYMZSIPPC-WDEREUQCSA-N 1 3 300.403 -0.764 20 0 DBADHO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)C[C@H](O)CN ZINC000420356042 380055897 /nfs/dbraw/zinc/05/58/97/380055897.db2.gz QFBHBVRGRCUISK-CYBMUJFWSA-N 1 3 308.382 -0.346 20 0 DBADHO C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)C[C@H](O)CN ZINC000420356042 380055905 /nfs/dbraw/zinc/05/59/05/380055905.db2.gz QFBHBVRGRCUISK-CYBMUJFWSA-N 1 3 308.382 -0.346 20 0 DBADHO CC[NH2+]CCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420418258 380058523 /nfs/dbraw/zinc/05/85/23/380058523.db2.gz LNECHUVJBVQARI-UHFFFAOYSA-N 1 3 317.459 -0.051 20 0 DBADHO CN1CCN(CCCS(=O)(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000632431950 380108998 /nfs/dbraw/zinc/10/89/98/380108998.db2.gz YNHYZKFGISYBMJ-UHFFFAOYSA-N 1 3 320.503 -0.117 20 0 DBADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000571821958 380121311 /nfs/dbraw/zinc/12/13/11/380121311.db2.gz YZMDPUBKTLKWIV-JHJVBQTASA-N 1 3 311.430 -0.330 20 0 DBADHO C[C@H](NC1CC1)C(=O)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000571999821 380127717 /nfs/dbraw/zinc/12/77/17/380127717.db2.gz KQLHMHWNYVUIOM-ZBINZKHDSA-N 1 3 308.426 -0.110 20 0 DBADHO O=C(N[C@@H]1CNCCC1(F)F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000572104818 380131749 /nfs/dbraw/zinc/13/17/49/380131749.db2.gz QTVACRGAONWUSE-NWDGAFQWSA-N 1 3 317.384 -0.327 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cn1 ZINC000262671766 380198657 /nfs/dbraw/zinc/19/86/57/380198657.db2.gz OTXSSZVSRYUANU-VXGBXAGGSA-N 1 3 322.413 -0.373 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423213033 380316514 /nfs/dbraw/zinc/31/65/14/380316514.db2.gz MQYJEWFSUWBTBR-QWHCGFSZSA-N 1 3 312.414 -0.885 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000422384517 380277860 /nfs/dbraw/zinc/27/78/60/380277860.db2.gz XCORXXUYLBWROG-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C[C@H]1[NH3+] ZINC000423152807 380311867 /nfs/dbraw/zinc/31/18/67/380311867.db2.gz MLLDWRALKKBORC-MGPQQGTHSA-N 1 3 308.426 -0.121 20 0 DBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N(C)CCN)C1 ZINC000423454986 380339637 /nfs/dbraw/zinc/33/96/37/380339637.db2.gz ZVDXQAWKPRKPFJ-CYBMUJFWSA-N 1 3 314.430 -0.637 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423510821 380340187 /nfs/dbraw/zinc/34/01/87/380340187.db2.gz OGFYWFBWBSHDAG-QWHCGFSZSA-N 1 3 308.426 -0.393 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423515013 380341790 /nfs/dbraw/zinc/34/17/90/380341790.db2.gz SMSNDKSHDATFDP-KBPBESRZSA-N 1 3 310.442 -0.147 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)C[C@H]1CCCN(C)C1 ZINC000627463837 380490070 /nfs/dbraw/zinc/49/00/70/380490070.db2.gz JXTZTQWWMLYDHD-ZDUSSCGKSA-N 1 3 314.430 -0.861 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643509340 380506238 /nfs/dbraw/zinc/50/62/38/380506238.db2.gz BEQMFPKXMBAIBH-CJNGLKHVSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(C(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1CCN2CCC[C@H]2C1 ZINC000643513201 380529145 /nfs/dbraw/zinc/52/91/45/380529145.db2.gz DVACZYRCPPLGHN-WMLDXEAASA-N 1 3 320.437 -0.105 20 0 DBADHO O=C(C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1CCN2CCC[C@H]2C1 ZINC000643513202 380529379 /nfs/dbraw/zinc/52/93/79/380529379.db2.gz DVACZYRCPPLGHN-YOEHRIQHSA-N 1 3 320.437 -0.105 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643516809 380543537 /nfs/dbraw/zinc/54/35/37/380543537.db2.gz XNNGMHUZBJEDFP-CPUCHLNUSA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C[C@@H]1N(C)C ZINC000643520767 380548371 /nfs/dbraw/zinc/54/83/71/380548371.db2.gz MLZFVPDQTXMXOM-WWGRRREGSA-N 1 3 308.426 -0.393 20 0 DBADHO Cc1nn(CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)c(=O)o1 ZINC000640677465 380680441 /nfs/dbraw/zinc/68/04/41/380680441.db2.gz IVYNASKMBLLUFG-NSHDSACASA-N 1 3 313.402 -0.467 20 0 DBADHO Cc1nn(CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)c(=O)o1 ZINC000640677465 380680446 /nfs/dbraw/zinc/68/04/46/380680446.db2.gz IVYNASKMBLLUFG-NSHDSACASA-N 1 3 313.402 -0.467 20 0 DBADHO CNS(=O)(=O)C[C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629595426 380696143 /nfs/dbraw/zinc/69/61/43/380696143.db2.gz PBCXUHDWUWDDKF-STQMWFEESA-N 1 3 317.455 -0.231 20 0 DBADHO COCCN(C)C[C@H](O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641220212 380867902 /nfs/dbraw/zinc/86/79/02/380867902.db2.gz AUOCXTMIVYUTAR-HIFRSBDPSA-N 1 3 311.430 -0.241 20 0 DBADHO CC(C)C[C@H](NC(=O)NC[C@@H](C)[NH3+])C(=O)NCCN(C)C ZINC000641494441 380928724 /nfs/dbraw/zinc/92/87/24/380928724.db2.gz WIKIWKXHVFDIBD-NEPJUHHUSA-N 1 3 301.435 -0.275 20 0 DBADHO CN(C)CCCS(=O)(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000631941062 381027769 /nfs/dbraw/zinc/02/77/69/381027769.db2.gz NDHCJFOVFGEGGF-CYBMUJFWSA-N 1 3 319.471 -0.045 20 0 DBADHO C[C@@H](CNC(=O)N(C)CCOCC[NH3+])CN1CCN(C)CC1 ZINC000626986103 381047218 /nfs/dbraw/zinc/04/72/18/381047218.db2.gz AIVJTSYYXHKHDC-AWEZNQCLSA-N 1 3 315.462 -0.513 20 0 DBADHO [NH3+]CCCOCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000627118005 381095692 /nfs/dbraw/zinc/09/56/92/381095692.db2.gz ZOKDVGVLYPTTGU-CQSZACIVSA-N 1 3 314.430 -0.096 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)n1 ZINC000627117619 381096746 /nfs/dbraw/zinc/09/67/46/381096746.db2.gz JEMWWAQHVFNPCJ-JTQLQIEISA-N 1 3 306.370 -0.275 20 0 DBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642329808 381104160 /nfs/dbraw/zinc/10/41/60/381104160.db2.gz WWILSVZZZFPZMT-ZQDZILKHSA-N 1 3 322.453 -0.099 20 0 DBADHO C[C@H]1CC[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[NH2+]1 ZINC000627210064 381146552 /nfs/dbraw/zinc/14/65/52/381146552.db2.gz LJMNXNCFVROXOG-AHLTXXRQSA-N 1 3 306.414 -0.003 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[NH2+]1 ZINC000627209745 381147375 /nfs/dbraw/zinc/14/73/75/381147375.db2.gz IMSNBMDFOWNHID-OLZOCXBDSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000627240976 381258561 /nfs/dbraw/zinc/25/85/61/381258561.db2.gz GSASBSFDLARIIB-BFHYXJOUSA-N 1 3 323.441 -0.315 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCn1ccnn1 ZINC000544334036 381422302 /nfs/dbraw/zinc/42/23/02/381422302.db2.gz DISBFPFPKOLWSS-UHFFFAOYSA-N 1 3 311.434 -0.197 20 0 DBADHO CO[C@]1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCOC1 ZINC000547317889 381473035 /nfs/dbraw/zinc/47/30/35/381473035.db2.gz WDGNUIALUJIJDT-HNNXBMFYSA-N 1 3 316.446 -0.073 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1nccn(C)c1=O ZINC000133402000 381459278 /nfs/dbraw/zinc/45/92/78/381459278.db2.gz UVMGKZWTFRPCKE-UHFFFAOYSA-N 1 3 310.402 -0.263 20 0 DBADHO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000615306225 381614890 /nfs/dbraw/zinc/61/48/90/381614890.db2.gz AGTWRSGIVIUXIC-MCIONIFRSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000615306224 381616060 /nfs/dbraw/zinc/61/60/60/381616060.db2.gz AGTWRSGIVIUXIC-HZSPNIEDSA-N 1 3 310.442 -0.053 20 0 DBADHO CC1CCN(C[C@H](O)C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000566233189 381645536 /nfs/dbraw/zinc/64/55/36/381645536.db2.gz ZCKNFONOYMYNQO-CVEARBPZSA-N 1 3 315.458 -0.638 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC(CC[NH3+])CC3)C[C@@H]21 ZINC000566379630 381653901 /nfs/dbraw/zinc/65/39/01/381653901.db2.gz QIMRTZAQKMUCRW-KGLIPLIRSA-N 1 3 308.426 -0.264 20 0 DBADHO NC(=O)NC(=O)CC[NH2+]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000567687995 381709178 /nfs/dbraw/zinc/70/91/78/381709178.db2.gz GWNDCLDUDURPGK-CHWSQXEVSA-N 1 3 312.414 -0.071 20 0 DBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566925850 381675153 /nfs/dbraw/zinc/67/51/53/381675153.db2.gz FBOQPNIWKAKRTO-ZRJCITRHSA-N 1 3 321.425 -0.578 20 0 DBADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566925850 381675158 /nfs/dbraw/zinc/67/51/58/381675158.db2.gz FBOQPNIWKAKRTO-ZRJCITRHSA-N 1 3 321.425 -0.578 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000567337435 381691940 /nfs/dbraw/zinc/69/19/40/381691940.db2.gz RZKNJYVHROWHEK-NHAGDIPZSA-N 1 3 321.425 -0.846 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H]1CN1CCOCC1 ZINC000568407627 381759248 /nfs/dbraw/zinc/75/92/48/381759248.db2.gz IJIGBYMBLBYUJY-CVEARBPZSA-N 1 3 315.458 -0.278 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1CN1CCOCC1 ZINC000568407627 381759255 /nfs/dbraw/zinc/75/92/55/381759255.db2.gz IJIGBYMBLBYUJY-CVEARBPZSA-N 1 3 315.458 -0.278 20 0 DBADHO CC[C@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000567882727 381722377 /nfs/dbraw/zinc/72/23/77/381722377.db2.gz BJNMESPVTBZPDB-NSHDSACASA-N 1 3 300.384 -0.401 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000573443491 381825660 /nfs/dbraw/zinc/82/56/60/381825660.db2.gz QONHJNBJEBRJGG-LBPRGKRZSA-N 1 3 321.381 -0.290 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573555628 381831419 /nfs/dbraw/zinc/83/14/19/381831419.db2.gz HWYKZPCIRNPLTI-BFHYXJOUSA-N 1 3 306.410 -0.639 20 0 DBADHO COC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000572835020 381803058 /nfs/dbraw/zinc/80/30/58/381803058.db2.gz LTBAHJGUUWEFCY-CQSZACIVSA-N 1 3 301.431 -0.620 20 0 DBADHO CC(C)[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000573104243 381814502 /nfs/dbraw/zinc/81/45/02/381814502.db2.gz CTNLTIVMMFVPCK-ZIAGYGMSSA-N 1 3 323.441 -0.187 20 0 DBADHO CC(C)[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000573104241 381814953 /nfs/dbraw/zinc/81/49/53/381814953.db2.gz CTNLTIVMMFVPCK-KGLIPLIRSA-N 1 3 323.441 -0.187 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)CCN2C1=O ZINC000574704939 381876244 /nfs/dbraw/zinc/87/62/44/381876244.db2.gz SPPRJACDQMMVKD-NWANDNLSSA-N 1 3 314.389 -0.356 20 0 DBADHO C[NH2+]CCc1ccccc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000576410234 381925644 /nfs/dbraw/zinc/92/56/44/381925644.db2.gz IFNYXHUKQJSPEP-UKRRQHHQSA-N 1 3 316.405 -0.168 20 0 DBADHO OC[C@]1(O)CCCN(CCCC[N@@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000576939872 381941489 /nfs/dbraw/zinc/94/14/89/381941489.db2.gz OFBYDKXMHDEICC-HOTGVXAUSA-N 1 3 316.442 -0.595 20 0 DBADHO OC[C@]1(O)CCCN(CCCC[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000576939872 381941493 /nfs/dbraw/zinc/94/14/93/381941493.db2.gz OFBYDKXMHDEICC-HOTGVXAUSA-N 1 3 316.442 -0.595 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000577734885 381972790 /nfs/dbraw/zinc/97/27/90/381972790.db2.gz OADSLOWBJTVFSS-HOCLYGCPSA-N 1 3 312.458 -0.245 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579244401 382057673 /nfs/dbraw/zinc/05/76/73/382057673.db2.gz NLJFJQOUIWXLST-IPYPFGDCSA-N 1 3 310.442 -0.066 20 0 DBADHO O=C(NC[C@@H]1CCCCN1CCO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000578595356 382023422 /nfs/dbraw/zinc/02/34/22/382023422.db2.gz HXJANMPPKNQLPZ-LSDHHAIUSA-N 1 3 310.442 -0.661 20 0 DBADHO O=C(NC[C@@H]1CCCCN1CCO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000578595356 382023430 /nfs/dbraw/zinc/02/34/30/382023430.db2.gz HXJANMPPKNQLPZ-LSDHHAIUSA-N 1 3 310.442 -0.661 20 0 DBADHO COCCNCC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000193676111 382120854 /nfs/dbraw/zinc/12/08/54/382120854.db2.gz HGHIFSVBRWQARP-GFCCVEGCSA-N 1 3 300.403 -0.932 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1=O ZINC000579478968 382071002 /nfs/dbraw/zinc/07/10/02/382071002.db2.gz GEITUHNRTZDIKH-RHSMWYFYSA-N 1 3 322.453 -0.001 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCC(=O)N1CCCC1 ZINC000077759438 382242559 /nfs/dbraw/zinc/24/25/59/382242559.db2.gz WIZNNFQTAONBJE-UHFFFAOYSA-N 1 3 313.446 -0.256 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]([NH+](C)C)C2)CC1=O ZINC000074252986 382327942 /nfs/dbraw/zinc/32/79/42/382327942.db2.gz GXUFIZDAUVBSGR-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627311804 382468625 /nfs/dbraw/zinc/46/86/25/382468625.db2.gz HYQHSBDHVWAWBP-YIYPIFLZSA-N 1 3 310.442 -0.053 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1=O ZINC000621699224 382498599 /nfs/dbraw/zinc/49/85/99/382498599.db2.gz PEAPXTQBMKWAQT-DVOMOZLQSA-N 1 3 308.426 -0.264 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)NCC2([NH3+])CCOCC2)CCC1 ZINC000627341531 382528012 /nfs/dbraw/zinc/52/80/12/382528012.db2.gz KMXAUEWARDZWPL-UHFFFAOYSA-N 1 3 312.414 -0.789 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)N(C)C1CC1 ZINC000621843464 382514850 /nfs/dbraw/zinc/51/48/50/382514850.db2.gz FWVIWMYIUAKZIU-BFQNTYOBSA-N 1 3 308.426 -0.075 20 0 DBADHO CCN(CCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)C1CC1 ZINC000621843364 382515053 /nfs/dbraw/zinc/51/50/53/382515053.db2.gz DEKXUZOOHKXNTP-WBMJQRKESA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621845779 382516625 /nfs/dbraw/zinc/51/66/25/382516625.db2.gz PHLIILAPCANUNJ-IUODEOHRSA-N 1 3 312.414 -0.979 20 0 DBADHO CN1CC[NH+](CC2CCN(c3nc(N)nc(N)n3)CC2)CC1 ZINC000623889496 382584822 /nfs/dbraw/zinc/58/48/22/382584822.db2.gz OGMPZSRSDAHRMX-UHFFFAOYSA-N 1 3 306.418 -0.839 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627483181 382632430 /nfs/dbraw/zinc/63/24/30/382632430.db2.gz AHQFBAHCDWKPJJ-ZDUSSCGKSA-N 1 3 314.430 -0.591 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627484654 382632715 /nfs/dbraw/zinc/63/27/15/382632715.db2.gz DTESYVZNIPGCPP-UHFFFAOYSA-N 1 3 300.403 -0.978 20 0 DBADHO CC(C)(C)N1CC[C@H](NC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627490235 382634111 /nfs/dbraw/zinc/63/41/11/382634111.db2.gz XNGXWDGTVYENDA-LBPRGKRZSA-N 1 3 314.430 -0.543 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627372684 382619618 /nfs/dbraw/zinc/61/96/18/382619618.db2.gz UJJLGMRWPLVXPG-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO CN(CCOCC[NH3+])C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000627379901 382620194 /nfs/dbraw/zinc/62/01/94/382620194.db2.gz ARTXTTAVWSJHCA-ZDUSSCGKSA-N 1 3 312.414 -0.979 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000627379954 382620249 /nfs/dbraw/zinc/62/02/49/382620249.db2.gz CNUNGBXQRDQJKV-HZSPNIEDSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[NH2+]1 ZINC000627380445 382620304 /nfs/dbraw/zinc/62/03/04/382620304.db2.gz PYTFQBFJTWHXKC-MRVWCRGKSA-N 1 3 308.426 -0.156 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCN(C)CCOC ZINC000627384355 382621000 /nfs/dbraw/zinc/62/10/00/382621000.db2.gz CITLSGBZMZKGHX-QWHCGFSZSA-N 1 3 314.430 -0.672 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627389996 382621693 /nfs/dbraw/zinc/62/16/93/382621693.db2.gz YBDDHRWUGBARLT-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000627425417 382625288 /nfs/dbraw/zinc/62/52/88/382625288.db2.gz PAAMWQGSKFMWRP-RFQIPJPRSA-N 1 3 308.426 -0.014 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627428931 382625854 /nfs/dbraw/zinc/62/58/54/382625854.db2.gz SBYJGNUWBWGSSB-GFCCVEGCSA-N 1 3 312.414 -0.789 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N(C)CCOCC[NH2+]C)C1 ZINC000627428950 382625909 /nfs/dbraw/zinc/62/59/09/382625909.db2.gz SSOAXUMZJJNBQX-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627444213 382627114 /nfs/dbraw/zinc/62/71/14/382627114.db2.gz DHPIWXFQSPXIOB-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627444212 382627360 /nfs/dbraw/zinc/62/73/60/382627360.db2.gz DHPIWXFQSPXIOB-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627454329 382628237 /nfs/dbraw/zinc/62/82/37/382628237.db2.gz NFPYNOZVGVRSPD-UHFFFAOYSA-N 1 3 314.430 -0.591 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000627464139 382629574 /nfs/dbraw/zinc/62/95/74/382629574.db2.gz ROGNVEHIVYZXEP-CYBMUJFWSA-N 1 3 312.414 -0.965 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000627502158 382634838 /nfs/dbraw/zinc/63/48/38/382634838.db2.gz MKUCRQIPDNAOLW-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC[C@@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000627803122 382642712 /nfs/dbraw/zinc/64/27/12/382642712.db2.gz BVWSBSOVXPPPBR-CYBMUJFWSA-N 1 3 322.413 -0.406 20 0 DBADHO CN1CCN(S(=O)(=O)CCCN2CCCC2)[C@H](C[NH3+])C1 ZINC000631907907 382653450 /nfs/dbraw/zinc/65/34/50/382653450.db2.gz XBAIMEZXGDCBHG-CYBMUJFWSA-N 1 3 304.460 -0.623 20 0 DBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000631930667 382655559 /nfs/dbraw/zinc/65/55/59/382655559.db2.gz UGICIONNXGMSGJ-TXEJJXNPSA-N 1 3 302.444 -0.259 20 0 DBADHO CN(C)CCCS(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000631937708 382655820 /nfs/dbraw/zinc/65/58/20/382655820.db2.gz ZBVOHCQQRAOBRY-CYBMUJFWSA-N 1 3 304.460 -0.753 20 0 DBADHO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)CCCN1CCCC1 ZINC000632136866 382661957 /nfs/dbraw/zinc/66/19/57/382661957.db2.gz WGSLBNKGVDARMO-CYBMUJFWSA-N 1 3 307.460 -0.296 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)CCC[NH+](C)C ZINC000632499271 382672158 /nfs/dbraw/zinc/67/21/58/382672158.db2.gz GVSABCDHCQRULX-GFCCVEGCSA-N 1 3 320.459 -0.680 20 0 DBADHO CN1CCC2(CCCN2C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633094973 382682023 /nfs/dbraw/zinc/68/20/23/382682023.db2.gz NZKSJHHQDLFSPG-STQMWFEESA-N 1 3 306.410 -0.354 20 0 DBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000633117151 382683775 /nfs/dbraw/zinc/68/37/75/382683775.db2.gz ZZFZOWGBUDENSJ-QWHCGFSZSA-N 1 3 317.393 -0.322 20 0 DBADHO CCN1CCC[C@@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000247445740 285254376 /nfs/dbraw/zinc/25/43/76/285254376.db2.gz YDSDXBZIPJLGDR-MELADBBJSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCN1C1CCOCC1 ZINC000646630648 391920694 /nfs/dbraw/zinc/92/06/94/391920694.db2.gz FPQQNLBEDBURMX-OAHLLOKOSA-N 1 3 310.442 -0.349 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000236840862 391975290 /nfs/dbraw/zinc/97/52/90/391975290.db2.gz RLMNYKQNROUVDM-MRXNPFEDSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@@H]1C[NH3+] ZINC000237513803 391979975 /nfs/dbraw/zinc/97/99/75/391979975.db2.gz FAVOHSCFPDIZBG-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO CC1(OCC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CNC1 ZINC000649336567 392044622 /nfs/dbraw/zinc/04/46/22/392044622.db2.gz DUDXMRKZBYYYNO-CYBMUJFWSA-N 1 3 311.426 -0.018 20 0 DBADHO CCN1CCN(CCNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350664 392048732 /nfs/dbraw/zinc/04/87/32/392048732.db2.gz XHEDKLBCSRNRRI-GFCCVEGCSA-N 1 3 304.385 -0.015 20 0 DBADHO CN(CCC[NH3+])CCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC000649409922 392064552 /nfs/dbraw/zinc/06/45/52/392064552.db2.gz AFVGJMGMVHSQDY-UHFFFAOYSA-N 1 3 308.386 -0.896 20 0 DBADHO CC1(OCC(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CNC1 ZINC000648130887 392356217 /nfs/dbraw/zinc/35/62/17/392356217.db2.gz IBLLTLMUMVNKDT-JTQLQIEISA-N 1 3 324.347 -0.683 20 0 DBADHO O=C(N[C@H]1CNCCC1(F)F)c1cn(C2CC[NH2+]CC2)nn1 ZINC000647076294 392411465 /nfs/dbraw/zinc/41/14/65/392411465.db2.gz HVMQRTLYRMYCQH-NSHDSACASA-N 1 3 314.340 -0.070 20 0 DBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000647080748 392413751 /nfs/dbraw/zinc/41/37/51/392413751.db2.gz INYAJJGGMAISHB-LMOYCYGVSA-N 1 3 310.442 -0.461 20 0 DBADHO COCC[NH2+]CC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000092509490 392455385 /nfs/dbraw/zinc/45/53/85/392455385.db2.gz KUVYLGQCYYPLJM-AWEZNQCLSA-N 1 3 300.447 -0.389 20 0 DBADHO [NH3+][C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000237934754 392529711 /nfs/dbraw/zinc/52/97/11/392529711.db2.gz FDOTVPKYEROBQT-ZIAGYGMSSA-N 1 3 308.426 -0.120 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419898268 392479253 /nfs/dbraw/zinc/47/92/53/392479253.db2.gz PHRCLNYPMXZGST-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000566512792 392548564 /nfs/dbraw/zinc/54/85/64/392548564.db2.gz PFPIZRNEJGOAIP-WCFLWFBJSA-N 1 3 307.398 -0.824 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000566512792 392548566 /nfs/dbraw/zinc/54/85/66/392548566.db2.gz PFPIZRNEJGOAIP-WCFLWFBJSA-N 1 3 307.398 -0.824 20 0 DBADHO CC1(OCC(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CNC1 ZINC000647735534 392833413 /nfs/dbraw/zinc/83/34/13/392833413.db2.gz VMEHQHLEVMLUPJ-UHFFFAOYSA-N 1 3 305.382 -0.192 20 0 DBADHO CN(CCCN1C(=O)NC(C)(C)C1=O)CCN1CC[NH2+]CC1 ZINC000647835933 392902987 /nfs/dbraw/zinc/90/29/87/392902987.db2.gz VMRRCVJBKSYSCW-UHFFFAOYSA-N 1 3 311.430 -0.456 20 0 DBADHO CN(CCN1CC[NH2+]CC1)C(=O)C1(N)Cc2ccccc2C1 ZINC000647769970 392861799 /nfs/dbraw/zinc/86/17/99/392861799.db2.gz QJCFCEZQSPVCLJ-UHFFFAOYSA-N 1 3 302.422 -0.154 20 0 DBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000647777705 392872865 /nfs/dbraw/zinc/87/28/65/392872865.db2.gz XLEAOPWLPCHZQY-JKIFEVAISA-N 1 3 324.469 -0.118 20 0 DBADHO C[C@H]1C[C@@H](CN2CCN(C(=O)CN3CCOCC3)CC2)CC[NH2+]1 ZINC000414683746 392941358 /nfs/dbraw/zinc/94/13/58/392941358.db2.gz ULYBETUEVXUFEJ-HOTGVXAUSA-N 1 3 324.469 -0.149 20 0 DBADHO [NH3+]C[C@H]1CN(C(=O)CN2CCNCC2)CC[C@@H]1C(F)(F)F ZINC000638563307 392967128 /nfs/dbraw/zinc/96/71/28/392967128.db2.gz OBCAISREAXWYNJ-QWRGUYRKSA-N 1 3 308.348 -0.123 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426724 393043894 /nfs/dbraw/zinc/04/38/94/393043894.db2.gz HLQIPYSLFQUXJE-QWHCGFSZSA-N 1 3 313.446 -0.034 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000417573132 393061378 /nfs/dbraw/zinc/06/13/78/393061378.db2.gz WPKRUTLGNAAMII-CQSZACIVSA-N 1 3 313.446 -0.698 20 0 DBADHO COCCCN(C)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000417754116 393070719 /nfs/dbraw/zinc/07/07/19/393070719.db2.gz PEXYTRZBDPWQFR-UHFFFAOYSA-N 1 3 301.435 -0.841 20 0 DBADHO O=C(CCOC1C[NH2+]C1)N1CCN(CC2CCOCC2)CC1 ZINC000348987343 393182749 /nfs/dbraw/zinc/18/27/49/393182749.db2.gz FSBNPFBAXOGYBK-UHFFFAOYSA-N 1 3 311.426 -0.064 20 0 DBADHO O=C(CCOC1CNC1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000348986152 393183147 /nfs/dbraw/zinc/18/31/47/393183147.db2.gz BJFBWXWAGHRASH-UHFFFAOYSA-N 1 3 305.382 -0.192 20 0 DBADHO CC[NH+](CC)CCO[C@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC000350182548 393232528 /nfs/dbraw/zinc/23/25/28/393232528.db2.gz ZVSSCDBDCNKUON-ZDUSSCGKSA-N 1 3 312.414 -0.029 20 0 DBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CCOC2CNC2)C1 ZINC000349053896 393187071 /nfs/dbraw/zinc/18/70/71/393187071.db2.gz NHAKGCTVOPDFPB-LBPRGKRZSA-N 1 3 312.414 -0.932 20 0 DBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)CCOC2CNC2)C1 ZINC000349053896 393187083 /nfs/dbraw/zinc/18/70/83/393187083.db2.gz NHAKGCTVOPDFPB-LBPRGKRZSA-N 1 3 312.414 -0.932 20 0 DBADHO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332621880 393330123 /nfs/dbraw/zinc/33/01/23/393330123.db2.gz HWZRNWRZTPZQKS-OCCSQVGLSA-N 1 3 308.426 -0.121 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351515620 393278725 /nfs/dbraw/zinc/27/87/25/393278725.db2.gz CJIXGJLMNRAJQJ-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cnc2c(c1)CNCC2 ZINC000648106681 393424728 /nfs/dbraw/zinc/42/47/28/393424728.db2.gz MAJOKMQVDJXUPR-CYBMUJFWSA-N 1 3 303.366 -0.466 20 0 DBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)C1CC1 ZINC000419112143 393543204 /nfs/dbraw/zinc/54/32/04/393543204.db2.gz UWSIHQKOMXYJCH-FPMFFAJLSA-N 1 3 308.426 -0.217 20 0 DBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000418874976 393524755 /nfs/dbraw/zinc/52/47/55/393524755.db2.gz JRIDQHWIOWMXFV-LSDHHAIUSA-N 1 3 318.421 -0.165 20 0 DBADHO COCCNCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419130559 393545709 /nfs/dbraw/zinc/54/57/09/393545709.db2.gz CJFFQWJIEVPUPR-CHWSQXEVSA-N 1 3 314.430 -0.672 20 0 DBADHO [NH3+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CCCC3)C2)C1 ZINC000419230656 393555158 /nfs/dbraw/zinc/55/51/58/393555158.db2.gz QDDUYQGQYSJYKT-KGLIPLIRSA-N 1 3 308.426 -0.073 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419289102 393564259 /nfs/dbraw/zinc/56/42/59/393564259.db2.gz SPAAUUVBWHOYPO-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000419409230 393573272 /nfs/dbraw/zinc/57/32/72/393573272.db2.gz MPHAIZYXHDOGEG-HZSPNIEDSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)C1 ZINC000419403417 393571118 /nfs/dbraw/zinc/57/11/18/393571118.db2.gz DOWGNIYOAZUULT-HZSPNIEDSA-N 1 3 310.442 -0.051 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419449415 393579856 /nfs/dbraw/zinc/57/98/56/393579856.db2.gz JWNIFKVELXKJKM-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419592752 393590706 /nfs/dbraw/zinc/59/07/06/393590706.db2.gz XATRGUVRBUTIGO-AWEZNQCLSA-N 1 3 316.471 -0.344 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419587847 393590726 /nfs/dbraw/zinc/59/07/26/393590726.db2.gz NWBWJIRFJYFZEH-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO CN(CCCN(C)C(=O)C(=O)N(C)CC[NH3+])Cc1ccco1 ZINC000423711392 393613095 /nfs/dbraw/zinc/61/30/95/393613095.db2.gz RNNKPZIPUZAOSN-UHFFFAOYSA-N 1 3 310.398 -0.023 20 0 DBADHO COCCNCC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000423750932 393620558 /nfs/dbraw/zinc/62/05/58/393620558.db2.gz DVJLWDAEEUEURI-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO COCCNCC(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000423750932 393620563 /nfs/dbraw/zinc/62/05/63/393620563.db2.gz DVJLWDAEEUEURI-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953426 393735683 /nfs/dbraw/zinc/73/56/83/393735683.db2.gz SVIQEIJALYUVEC-ZIAGYGMSSA-N 1 3 308.426 -0.155 20 0 DBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)C1 ZINC000646002931 393739934 /nfs/dbraw/zinc/73/99/34/393739934.db2.gz KGXWIQSGVSZWAH-HUUCEWRRSA-N 1 3 310.442 -0.397 20 0 DBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)C[C@@H]3CNCCO3)CC2)C1 ZINC000646002931 393739937 /nfs/dbraw/zinc/73/99/37/393739937.db2.gz KGXWIQSGVSZWAH-HUUCEWRRSA-N 1 3 310.442 -0.397 20 0 DBADHO CN1CCC[C@H](N2CCN(C(=O)COC3CC[NH2+]CC3)CC2)C1 ZINC000646003243 393740004 /nfs/dbraw/zinc/74/00/04/393740004.db2.gz XQACQWRPIGCPPO-HNNXBMFYSA-N 1 3 324.469 -0.007 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1 ZINC000645930180 393730042 /nfs/dbraw/zinc/73/00/42/393730042.db2.gz RQOXHOBEFCIZLZ-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(CN1CCC[C@@H](C2CC[NH2+]CC2)C1)N1CCNC(=O)C1 ZINC000662296834 411634043 /nfs/dbraw/zinc/63/40/43/411634043.db2.gz NQVJFEFKIYFAAM-CQSZACIVSA-N 1 3 308.426 -0.344 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124796 411647427 /nfs/dbraw/zinc/64/74/27/411647427.db2.gz HJFRWLZQIBILCP-HOCLYGCPSA-N 1 3 310.442 -0.634 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653124979 411647734 /nfs/dbraw/zinc/64/77/34/411647734.db2.gz OCGUMPPOKXZJOL-YCPHGPKFSA-N 1 3 310.442 -0.635 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653148866 411650009 /nfs/dbraw/zinc/65/00/09/411650009.db2.gz NZYLVVRBWULYGI-KGLIPLIRSA-N 1 3 300.447 -0.165 20 0 DBADHO C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650781135 411687150 /nfs/dbraw/zinc/68/71/50/411687150.db2.gz RBUOGBVFYMECMP-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO CN(C)CCn1ccc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])n1 ZINC000659093507 411699060 /nfs/dbraw/zinc/69/90/60/411699060.db2.gz VIMYOCFMMOQYBL-UHFFFAOYSA-N 1 3 310.402 -0.421 20 0 DBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622794 411807063 /nfs/dbraw/zinc/80/70/63/411807063.db2.gz UFGFAMXJLGAHQF-CYBMUJFWSA-N 1 3 322.413 -0.406 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000652622381 411807296 /nfs/dbraw/zinc/80/72/96/411807296.db2.gz IMUTWRCWDCQIRG-NWDGAFQWSA-N 1 3 322.413 -0.231 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652620602 411807499 /nfs/dbraw/zinc/80/74/99/411807499.db2.gz MQIXTZWEFVFZFI-NSHDSACASA-N 1 3 308.386 -0.797 20 0 DBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652624089 411808912 /nfs/dbraw/zinc/80/89/12/411808912.db2.gz ZIVZYJSQOLYDAJ-LLVKDONJSA-N 1 3 310.402 -0.503 20 0 DBADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@H+](C)C1CC1 ZINC000659451305 411825189 /nfs/dbraw/zinc/82/51/89/411825189.db2.gz OKTFZSUJFJACDK-VIFPVBQESA-N 1 3 308.386 -0.077 20 0 DBADHO C[C@@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@@H+](C)C1CC1 ZINC000659451305 411825192 /nfs/dbraw/zinc/82/51/92/411825192.db2.gz OKTFZSUJFJACDK-VIFPVBQESA-N 1 3 308.386 -0.077 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659537068 411833849 /nfs/dbraw/zinc/83/38/49/411833849.db2.gz KGWVDZZYCZEDSD-CHWSQXEVSA-N 1 3 313.446 -0.354 20 0 DBADHO C[C@H](CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[NH+](C)C ZINC000658423805 411902994 /nfs/dbraw/zinc/90/29/94/411902994.db2.gz KGSXHGMFVCYJND-GFCCVEGCSA-N 1 3 324.429 -0.160 20 0 DBADHO COCCN1CCN(C[C@@H](O)C[N@H+](C)CCOC)C(C)(C)C1 ZINC000653778861 411905054 /nfs/dbraw/zinc/90/50/54/411905054.db2.gz HBKNPDCBZLWZAM-HNNXBMFYSA-N 1 3 317.474 -0.032 20 0 DBADHO COCCN1CCN(C[C@@H](O)C[N@@H+](C)CCOC)C(C)(C)C1 ZINC000653778861 411905058 /nfs/dbraw/zinc/90/50/58/411905058.db2.gz HBKNPDCBZLWZAM-HNNXBMFYSA-N 1 3 317.474 -0.032 20 0 DBADHO COC[C@@H]1C[C@@H](O)CN1C/C=C/C[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649744144 411917211 /nfs/dbraw/zinc/91/72/11/411917211.db2.gz OVJHXXXSFYTUCN-TXOOODLESA-N 1 3 314.426 -0.294 20 0 DBADHO COC[C@@H]1C[C@@H](O)CN1C/C=C/C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649744144 411917213 /nfs/dbraw/zinc/91/72/13/411917213.db2.gz OVJHXXXSFYTUCN-TXOOODLESA-N 1 3 314.426 -0.294 20 0 DBADHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654452734 411938043 /nfs/dbraw/zinc/93/80/43/411938043.db2.gz ZOCPGLWKVOWLOW-SOUVJXGZSA-N 1 3 308.426 -0.069 20 0 DBADHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654452734 411938047 /nfs/dbraw/zinc/93/80/47/411938047.db2.gz ZOCPGLWKVOWLOW-SOUVJXGZSA-N 1 3 308.426 -0.069 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656020898 411988099 /nfs/dbraw/zinc/98/80/99/411988099.db2.gz VUANTZLATVCHNE-RDBSUJKOSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656019573 411988245 /nfs/dbraw/zinc/98/82/45/411988245.db2.gz GJTCRZPGCUMNCY-RDBSUJKOSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000656029406 411990579 /nfs/dbraw/zinc/99/05/79/411990579.db2.gz ZNAWSTUJDFEXJP-BARDWOONSA-N 1 3 320.437 -0.203 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCNC1=O ZINC000656390027 412006254 /nfs/dbraw/zinc/00/62/54/412006254.db2.gz ZBRIOGDOHWIXCX-CYBMUJFWSA-N 1 3 313.446 -0.353 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000658643201 412063278 /nfs/dbraw/zinc/06/32/78/412063278.db2.gz HCYJUEYJPWEJLD-HUUCEWRRSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000658643201 412063283 /nfs/dbraw/zinc/06/32/83/412063283.db2.gz HCYJUEYJPWEJLD-HUUCEWRRSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000659358899 412084771 /nfs/dbraw/zinc/08/47/71/412084771.db2.gz PKYVSEVDHVNLGP-CZUORRHYSA-N 1 3 310.442 -0.146 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000659447457 412088823 /nfs/dbraw/zinc/08/88/23/412088823.db2.gz DXMSVUGWXMGQIO-STQMWFEESA-N 1 3 313.446 -0.164 20 0 DBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659556177 412093592 /nfs/dbraw/zinc/09/35/92/412093592.db2.gz QVTJGLXUJGMZGA-NWDGAFQWSA-N 1 3 301.435 -0.226 20 0 DBADHO C[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1C[NH3+] ZINC000659629451 412097002 /nfs/dbraw/zinc/09/70/02/412097002.db2.gz SXSPDOMCECURCK-NXEZZACHSA-N 1 3 308.386 -0.233 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000659674525 412101455 /nfs/dbraw/zinc/10/14/55/412101455.db2.gz MNWQQJFSMKVHOA-HIFRSBDPSA-N 1 3 320.437 0.000 20 0 DBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)NC1CCN(C2CC2)CC1 ZINC000659685576 412104375 /nfs/dbraw/zinc/10/43/75/412104375.db2.gz RWGDNDPKALHDSC-UHFFFAOYSA-N 1 3 306.410 -0.321 20 0 DBADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[N@@H+]1C1CC1 ZINC000659692758 412106396 /nfs/dbraw/zinc/10/63/96/412106396.db2.gz GMCCOCRZHXVFSU-YRRQLQLVSA-N 1 3 312.389 -0.375 20 0 DBADHO C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[N@H+]1C1CC1 ZINC000659692758 412106400 /nfs/dbraw/zinc/10/64/00/412106400.db2.gz GMCCOCRZHXVFSU-YRRQLQLVSA-N 1 3 312.389 -0.375 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659696516 412106976 /nfs/dbraw/zinc/10/69/76/412106976.db2.gz BROIEBJNFPZAAD-VEAWUBTESA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659696515 412107260 /nfs/dbraw/zinc/10/72/60/412107260.db2.gz BROIEBJNFPZAAD-FUJMWEONSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(N[C@@H]1CCN(C2CCCCC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000659713190 412111369 /nfs/dbraw/zinc/11/13/69/412111369.db2.gz FFQKBBGVOSEYQE-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000659738569 412117741 /nfs/dbraw/zinc/11/77/41/412117741.db2.gz GOXKZDNRCCFKJQ-HZSPNIEDSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1CN(C)CC[C@H]1N(C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659739626 412119267 /nfs/dbraw/zinc/11/92/67/412119267.db2.gz BDRYEYNYFOWEAD-ISGSLZAZSA-N 1 3 308.426 -0.347 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000659739066 412119953 /nfs/dbraw/zinc/11/99/53/412119953.db2.gz MGLULBRIFUGMAJ-HZSPNIEDSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659743998 412121203 /nfs/dbraw/zinc/12/12/03/412121203.db2.gz PBJFQRINLLZNHR-DLOXAQCQSA-N 1 3 320.437 -0.060 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000659751031 412122503 /nfs/dbraw/zinc/12/25/03/412122503.db2.gz RQVOSHDJHHYTEA-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO O=C(NCCNc1ccncc1)c1cnnn1C1CC[NH2+]CC1 ZINC000662394317 412179436 /nfs/dbraw/zinc/17/94/36/412179436.db2.gz DLJLMXQMSMFFGE-UHFFFAOYSA-N 1 3 315.381 -0.139 20 0 DBADHO COC1CCN(C(C)(C)CNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662452711 412184033 /nfs/dbraw/zinc/18/40/33/412184033.db2.gz PJYIGHFGXNNGGB-UHFFFAOYSA-N 1 3 324.429 -0.144 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)c2cn(CC[NH3+])nn2)C[C@@H](C)O1 ZINC000662687107 412195535 /nfs/dbraw/zinc/19/55/35/412195535.db2.gz FHZNMYDNFKKOKG-CHWSQXEVSA-N 1 3 324.429 -0.144 20 0 DBADHO COC[C@]1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000662709856 412196731 /nfs/dbraw/zinc/19/67/31/412196731.db2.gz TVQAFCWMCLEJND-ZBFHGGJFSA-N 1 3 311.426 -0.018 20 0 DBADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000662861165 412207301 /nfs/dbraw/zinc/20/73/01/412207301.db2.gz YDSDXBZIPJLGDR-RDBSUJKOSA-N 1 3 308.426 -0.203 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000662933307 412213384 /nfs/dbraw/zinc/21/33/84/412213384.db2.gz DVJUDPFMMBMSBR-TUBUQKNSSA-N 1 3 320.437 -0.120 20 0 DBADHO CS(=O)(=O)NCC1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276928 412174410 /nfs/dbraw/zinc/17/44/10/412174410.db2.gz AKNUYQQHTHFMQP-CYBMUJFWSA-N 1 3 317.455 -0.231 20 0 DBADHO C[NH+](C)CC1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662975031 412220388 /nfs/dbraw/zinc/22/03/88/412220388.db2.gz DLULCZZVPYOHOA-UHFFFAOYSA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013648 412223386 /nfs/dbraw/zinc/22/33/86/412223386.db2.gz FGTTUGGPLXSEEW-RYUDHWBXSA-N 1 3 306.414 -0.128 20 0 DBADHO CC(=O)NCCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000663437111 412232157 /nfs/dbraw/zinc/23/21/57/412232157.db2.gz KZHWLQBTHDTAQR-LBPRGKRZSA-N 1 3 301.435 -0.306 20 0 DBADHO CC(=O)NCCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000663437111 412232161 /nfs/dbraw/zinc/23/21/61/412232161.db2.gz KZHWLQBTHDTAQR-LBPRGKRZSA-N 1 3 301.435 -0.306 20 0 DBADHO COCC[N@H+](C)CCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663691457 412239727 /nfs/dbraw/zinc/23/97/27/412239727.db2.gz GOZNPYKIPFKPEF-STQMWFEESA-N 1 3 302.419 -0.729 20 0 DBADHO COCC[N@@H+](C)CCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000663691457 412239730 /nfs/dbraw/zinc/23/97/30/412239730.db2.gz GOZNPYKIPFKPEF-STQMWFEESA-N 1 3 302.419 -0.729 20 0 DBADHO CN(C)CCn1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)n1 ZINC000362566117 412294230 /nfs/dbraw/zinc/29/42/30/412294230.db2.gz WFNFTGZBVPNDOT-LLVKDONJSA-N 1 3 317.397 0.497 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000659739067 418959538 /nfs/dbraw/zinc/95/95/38/418959538.db2.gz MGLULBRIFUGMAJ-RDBSUJKOSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000670545874 544420372 /nfs/dbraw/zinc/42/03/72/544420372.db2.gz IHIQXVRSJHAZFF-FZMZJTMJSA-N 1 3 308.426 -0.204 20 0 DBADHO C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000670545669 544420495 /nfs/dbraw/zinc/42/04/95/544420495.db2.gz CBLMNWYYCYUGFX-CQSZACIVSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)[C@H]1C ZINC000665757229 544441447 /nfs/dbraw/zinc/44/14/47/544441447.db2.gz CHKTZCOJPHDYLH-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)[C@H]1C ZINC000665757229 544441450 /nfs/dbraw/zinc/44/14/50/544441450.db2.gz CHKTZCOJPHDYLH-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@H]1CO ZINC000665760860 544443418 /nfs/dbraw/zinc/44/34/18/544443418.db2.gz QLKNXHCVCHCDHG-MELADBBJSA-N 1 3 316.446 -0.605 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1C[C@H](O)C[C@H]1CO ZINC000665760860 544443421 /nfs/dbraw/zinc/44/34/21/544443421.db2.gz QLKNXHCVCHCDHG-MELADBBJSA-N 1 3 316.446 -0.605 20 0 DBADHO CN1CCC[C@@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000669403258 544561714 /nfs/dbraw/zinc/56/17/14/544561714.db2.gz QIXVQORHOQZJRB-QWHCGFSZSA-N 1 3 311.430 -0.423 20 0 DBADHO COCCCN(C)CCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000669498399 544572069 /nfs/dbraw/zinc/57/20/69/544572069.db2.gz MWXQOBJAWGCPJB-CHWSQXEVSA-N 1 3 302.419 -0.288 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cn1 ZINC000676089274 544857653 /nfs/dbraw/zinc/85/76/53/544857653.db2.gz HPIXSJZTJYHLJY-UHFFFAOYSA-N 1 3 324.429 -0.160 20 0 DBADHO C[NH+](C)CCn1cc(NC(=O)[C@H]2CN3CCN2CCC3)cn1 ZINC000677874268 544898906 /nfs/dbraw/zinc/89/89/06/544898906.db2.gz NHLMTMDXETVKRC-CQSZACIVSA-N 1 3 306.414 -0.227 20 0 DBADHO COC1CCN(CCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000677907477 544901874 /nfs/dbraw/zinc/90/18/74/544901874.db2.gz QFQVDTCKIPFRCY-HNNXBMFYSA-N 1 3 310.442 -0.397 20 0 DBADHO COC1CCN(CCNC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000677907477 544901876 /nfs/dbraw/zinc/90/18/76/544901876.db2.gz QFQVDTCKIPFRCY-HNNXBMFYSA-N 1 3 310.442 -0.397 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H]([NH+](C)C)C2)CN1C1CC1 ZINC000685277797 545028924 /nfs/dbraw/zinc/02/89/24/545028924.db2.gz BPRUMUFNQUVLPM-YRGRVCCFSA-N 1 3 308.426 -0.110 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000685307958 545029137 /nfs/dbraw/zinc/02/91/37/545029137.db2.gz ZTOUCSVJHZGQKV-SNPRPXQTSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000685307958 545029139 /nfs/dbraw/zinc/02/91/39/545029139.db2.gz ZTOUCSVJHZGQKV-SNPRPXQTSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@@H]1C[NH3+] ZINC000237516958 265677805 /nfs/dbraw/zinc/67/78/05/265677805.db2.gz FAVOHSCFPDIZBG-MGPQQGTHSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)NCCC[NH3+])Cc2ccccc2C1 ZINC000419381481 265783979 /nfs/dbraw/zinc/78/39/79/265783979.db2.gz YEXXCEDVMONKOM-UHFFFAOYSA-N 1 3 318.421 -0.333 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419673388 265804492 /nfs/dbraw/zinc/80/44/92/265804492.db2.gz HFXQRHOCGZRCBJ-OLZOCXBDSA-N 1 3 314.430 -0.815 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCCOCCN(C)C ZINC000419779874 265813305 /nfs/dbraw/zinc/81/33/05/265813305.db2.gz PZYIBIDGVYSDTF-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@H]2CNCCO2)C1 ZINC000420197561 265851453 /nfs/dbraw/zinc/85/14/53/265851453.db2.gz MDNWQGDMYYADLY-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(CC2CCOCC2)CC1 ZINC000430731945 266011603 /nfs/dbraw/zinc/01/16/03/266011603.db2.gz NLWQFSCKYUHBIS-HNNXBMFYSA-N 1 3 311.426 -0.064 20 0 DBADHO COCCN(C)CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000430698079 266011983 /nfs/dbraw/zinc/01/19/83/266011983.db2.gz FJUFWFBDZQLMIW-UHFFFAOYSA-N 1 3 324.429 -0.099 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C(C)(C)C[NH3+])cn1 ZINC000430785237 266012579 /nfs/dbraw/zinc/01/25/79/266012579.db2.gz UHLOTFMRIABLIP-UHFFFAOYSA-N 1 3 310.402 -0.516 20 0 DBADHO C[NH2+]C[C@@H](C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000430792835 266013737 /nfs/dbraw/zinc/01/37/37/266013737.db2.gz TTWSWXXPYQOILL-LLVKDONJSA-N 1 3 310.402 -0.645 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)C[C@H]2CNCCO2)C1 ZINC000430890504 266015321 /nfs/dbraw/zinc/01/53/21/266015321.db2.gz RCQLGUDGHSMKBJ-OLZOCXBDSA-N 1 3 312.414 -0.932 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C[C@H]2CNCCO2)C1 ZINC000430890504 266015323 /nfs/dbraw/zinc/01/53/23/266015323.db2.gz RCQLGUDGHSMKBJ-OLZOCXBDSA-N 1 3 312.414 -0.932 20 0 DBADHO COCCCN(C)CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433398832 266040958 /nfs/dbraw/zinc/04/09/58/266040958.db2.gz GSXQWCOXHGBIHP-ZDUSSCGKSA-N 1 3 324.429 -0.099 20 0 DBADHO COCCN(C)CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433384574 266041445 /nfs/dbraw/zinc/04/14/45/266041445.db2.gz KVBGOBITFAEFQD-GFCCVEGCSA-N 1 3 310.402 -0.489 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H](CC[NH3+])C2)CC1=O ZINC000442603493 266126989 /nfs/dbraw/zinc/12/69/89/266126989.db2.gz VRHMLESPZMCSEI-KGLIPLIRSA-N 1 3 310.442 -0.016 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492118829 266153719 /nfs/dbraw/zinc/15/37/19/266153719.db2.gz NFDWUDGEKGBEDJ-VSKVDJIOSA-N 1 3 308.426 -0.131 20 0 DBADHO CN1CC[C@](O)(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000497085046 266253527 /nfs/dbraw/zinc/25/35/27/266253527.db2.gz SLGXEQIXCSABBZ-AWEZNQCLSA-N 1 3 315.418 -0.308 20 0 DBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000515351230 266270175 /nfs/dbraw/zinc/27/01/75/266270175.db2.gz VAUXGHITALKQPQ-JTQLQIEISA-N 1 3 305.386 -0.458 20 0 DBADHO N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000515351488 266270701 /nfs/dbraw/zinc/27/07/01/266270701.db2.gz XAALCJQSMVGNGW-GJZGRUSLSA-N 1 3 318.421 -0.130 20 0 DBADHO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)NCCN(C)C ZINC000518561087 266303515 /nfs/dbraw/zinc/30/35/15/266303515.db2.gz GLRGEUGTRRAELW-GFCCVEGCSA-N 1 3 324.429 -0.759 20 0 DBADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NC2C[NH2+]C2)c1 ZINC000520774568 266322542 /nfs/dbraw/zinc/32/25/42/266322542.db2.gz WXGDINOSWDEIIM-UHFFFAOYSA-N 1 3 318.421 -0.027 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@H]1N(C)C ZINC000331776115 287856671 /nfs/dbraw/zinc/85/66/71/287856671.db2.gz OLQPJNKSLMJKSH-ZOBORPQBSA-N 1 3 308.426 -0.537 20 0 DBADHO CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418770019 278547383 /nfs/dbraw/zinc/54/73/83/278547383.db2.gz QHYWEXFOSVLRFZ-KGLIPLIRSA-N 1 3 314.430 -0.633 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000362924604 288095030 /nfs/dbraw/zinc/09/50/30/288095030.db2.gz YZFMAOFJOGYVTH-KFWWJZLASA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000362924604 288095034 /nfs/dbraw/zinc/09/50/34/288095034.db2.gz YZFMAOFJOGYVTH-KFWWJZLASA-N 1 3 322.453 -0.051 20 0 DBADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418708582 280164565 /nfs/dbraw/zinc/16/45/65/280164565.db2.gz UIGMZDUQYYUPCP-CHWSQXEVSA-N 1 3 311.430 -0.328 20 0 DBADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000332561401 281188128 /nfs/dbraw/zinc/18/81/28/281188128.db2.gz QUIOQYJNHVTBNI-UONOGXRCSA-N 1 3 308.426 -0.060 20 0 DBADHO C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000372231462 289220101 /nfs/dbraw/zinc/22/01/01/289220101.db2.gz BBTCFGHAEFQHDC-VNHYZAJKSA-N 1 3 314.430 -0.539 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000331776104 289310486 /nfs/dbraw/zinc/31/04/86/289310486.db2.gz OKVMZULHWKZAOT-REWJHTLYSA-N 1 3 308.426 -0.265 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446272196 295107911 /nfs/dbraw/zinc/10/79/11/295107911.db2.gz OUQVQHFBLVMZIU-GRYCIOLGSA-N 1 3 300.378 -0.610 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446272196 295107914 /nfs/dbraw/zinc/10/79/14/295107914.db2.gz OUQVQHFBLVMZIU-GRYCIOLGSA-N 1 3 300.378 -0.610 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@H](N2CCCCC2)C1 ZINC000351546374 295517479 /nfs/dbraw/zinc/51/74/79/295517479.db2.gz YZQOGSXNVJZNJI-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H]1C[C@@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000181036849 297285891 /nfs/dbraw/zinc/28/58/91/297285891.db2.gz BCGPHUODJRSIBJ-OWCLPIDISA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@@H]1C[C@@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@H+]1C ZINC000181036849 297285893 /nfs/dbraw/zinc/28/58/93/297285893.db2.gz BCGPHUODJRSIBJ-OWCLPIDISA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000362744630 300221138 /nfs/dbraw/zinc/22/11/38/300221138.db2.gz JVNDITDWFHJORF-GJZGRUSLSA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000362744630 300221142 /nfs/dbraw/zinc/22/11/42/300221142.db2.gz JVNDITDWFHJORF-GJZGRUSLSA-N 1 3 322.453 -0.049 20 0 DBADHO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C[C@H](O)CN ZINC000569461533 332093405 /nfs/dbraw/zinc/09/34/05/332093405.db2.gz VYMXDFKCTPTIBQ-CQSZACIVSA-N 1 3 321.425 -0.628 20 0 DBADHO C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C[C@H](O)CN ZINC000569461533 332093407 /nfs/dbraw/zinc/09/34/07/332093407.db2.gz VYMXDFKCTPTIBQ-CQSZACIVSA-N 1 3 321.425 -0.628 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1N(C)C ZINC000569473967 332099650 /nfs/dbraw/zinc/09/96/50/332099650.db2.gz DARUAXPZRPJWKS-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000580182143 332989087 /nfs/dbraw/zinc/98/90/87/332989087.db2.gz JKZAGGHEEBCHKV-IHRRRGAJSA-N 1 3 308.426 -0.264 20 0 DBADHO COCc1nc2n(n1)C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000582117269 333293440 /nfs/dbraw/zinc/29/34/40/333293440.db2.gz KIQPJPOWXKELOI-DGCLKSJQSA-N 1 3 309.414 -0.216 20 0 DBADHO COCc1nc2n(n1)C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000582117269 333293441 /nfs/dbraw/zinc/29/34/41/333293441.db2.gz KIQPJPOWXKELOI-DGCLKSJQSA-N 1 3 309.414 -0.216 20 0 DBADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000571626781 333841000 /nfs/dbraw/zinc/84/10/00/333841000.db2.gz YYZZNBUEPXTWME-AWEZNQCLSA-N 1 3 316.471 -0.344 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000583015004 337229327 /nfs/dbraw/zinc/22/93/27/337229327.db2.gz CGIKKRQTQMTIAO-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CC1CC[NH+](CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000583095497 337240295 /nfs/dbraw/zinc/24/02/95/337240295.db2.gz LERHZOUNBTVWAL-UONOGXRCSA-N 1 3 323.441 -0.328 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000572135515 337593086 /nfs/dbraw/zinc/59/30/86/337593086.db2.gz CGGGGOWMXLRFSD-UONOGXRCSA-N 1 3 308.426 -0.123 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000568988732 341687386 /nfs/dbraw/zinc/68/73/86/341687386.db2.gz FCGSAPFCRNPEMU-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO COC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000575742685 341801938 /nfs/dbraw/zinc/80/19/38/341801938.db2.gz LTBAHJGUUWEFCY-AWEZNQCLSA-N 1 3 301.431 -0.620 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418467340 533760374 /nfs/dbraw/zinc/76/03/74/533760374.db2.gz IEHGEJOEOUACIZ-QWHCGFSZSA-N 1 3 311.430 -0.471 20 0 DBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343825574 520500983 /nfs/dbraw/zinc/50/09/83/520500983.db2.gz LKNFLLGSEXUQPH-HUUCEWRRSA-N 1 3 312.458 -0.151 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000331460075 521011515 /nfs/dbraw/zinc/01/15/15/521011515.db2.gz UTJMQXQSDWEUFN-CABCVRRESA-N 1 3 322.453 -0.098 20 0 DBADHO CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CN2CCC1CC2 ZINC000346960565 521768149 /nfs/dbraw/zinc/76/81/49/521768149.db2.gz FKRZTVLHJOODBF-LSDHHAIUSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000346303171 521771320 /nfs/dbraw/zinc/77/13/20/521771320.db2.gz WSQCGJSPJAOADA-RHSMWYFYSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000346303171 521771333 /nfs/dbraw/zinc/77/13/33/521771333.db2.gz WSQCGJSPJAOADA-RHSMWYFYSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000343814218 521772529 /nfs/dbraw/zinc/77/25/29/521772529.db2.gz ITRGXYQTFQPCMD-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CCOC1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000343480719 521793109 /nfs/dbraw/zinc/79/31/09/521793109.db2.gz KDNMKNMDVRIFRL-MRXNPFEDSA-N 1 3 324.469 -0.055 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000332676798 522033786 /nfs/dbraw/zinc/03/37/86/522033786.db2.gz OFMXYTSPKKLSSK-MGPQQGTHSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000333612555 524313252 /nfs/dbraw/zinc/31/32/52/524313252.db2.gz SFRODCAOXCUYBI-DEQVHRJGSA-N 1 3 306.414 -0.146 20 0 DBADHO C[C@@H](CN(C)C)NC(=O)CSCC(=O)N[C@@H](C)C[NH+](C)C ZINC000346137514 524569787 /nfs/dbraw/zinc/56/97/87/524569787.db2.gz FLARPPDKXNXUIS-RYUDHWBXSA-N 1 3 318.487 -0.148 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1N(C)C ZINC000332253011 524741418 /nfs/dbraw/zinc/74/14/18/524741418.db2.gz SVNMYZHPYZMGNG-SYQHCUMBSA-N 1 3 308.426 -0.537 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000332096606 525084169 /nfs/dbraw/zinc/08/41/69/525084169.db2.gz OGSJXQNAUDORJR-ZOBORPQBSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC[N@@H+]1C ZINC000332626705 525251300 /nfs/dbraw/zinc/25/13/00/525251300.db2.gz VQTGIDOOBFIMPO-RDBSUJKOSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC[N@H+]1C ZINC000332626705 525251305 /nfs/dbraw/zinc/25/13/05/525251305.db2.gz VQTGIDOOBFIMPO-RDBSUJKOSA-N 1 3 308.426 -0.108 20 0 DBADHO O=C(NCC[C@@H]1CCC[NH2+]C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000331656036 526382584 /nfs/dbraw/zinc/38/25/84/526382584.db2.gz WJVWNEREMRGQNX-UONOGXRCSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332380329 527027185 /nfs/dbraw/zinc/02/71/85/527027185.db2.gz WVQRDTQTZUIPPU-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@@H]1CN2CCN1CCC2 ZINC000344988541 527651418 /nfs/dbraw/zinc/65/14/18/527651418.db2.gz IYSQEXMCJGUWFL-HOTGVXAUSA-N 1 3 324.469 -0.271 20 0 DBADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@@H]1CN2CCN1CCC2 ZINC000344988541 527651420 /nfs/dbraw/zinc/65/14/20/527651420.db2.gz IYSQEXMCJGUWFL-HOTGVXAUSA-N 1 3 324.469 -0.271 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418498402 528083737 /nfs/dbraw/zinc/08/37/37/528083737.db2.gz XDYFUSVKNRVEQP-CYBMUJFWSA-N 1 3 313.446 -0.223 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418572524 528083765 /nfs/dbraw/zinc/08/37/65/528083765.db2.gz ZOXYWYQPEPKHMC-ZDUSSCGKSA-N 1 3 313.446 -0.081 20 0 DBADHO CC[NH2+]CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418320913 528308245 /nfs/dbraw/zinc/30/82/45/528308245.db2.gz XACHFQVBZGMRAM-UHFFFAOYSA-N 1 3 311.430 -0.455 20 0 DBADHO CN(C)c1ccncc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000978979887 665589317 /nfs/dbraw/zinc/58/93/17/665589317.db2.gz YQYVYEBHDOZTKC-UOJUARBOSA-N 1 3 317.393 -0.460 20 0 DBADHO CN(C)c1ccncc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978979887 665589320 /nfs/dbraw/zinc/58/93/20/665589320.db2.gz YQYVYEBHDOZTKC-UOJUARBOSA-N 1 3 317.393 -0.460 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978986050 665590543 /nfs/dbraw/zinc/59/05/43/665590543.db2.gz NMLCHLKVZFTNNP-YIYPIFLZSA-N 1 3 320.437 -0.360 20 0 DBADHO C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020407295 663801219 /nfs/dbraw/zinc/80/12/19/663801219.db2.gz XNVZPRJGVWWZFV-OCXHBSIHSA-N 1 3 309.410 -0.533 20 0 DBADHO CC(C)(C(=O)N1CC[C@@H](N[C@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC000969563711 663844960 /nfs/dbraw/zinc/84/49/60/663844960.db2.gz 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COCCN1CC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970169861 663934136 /nfs/dbraw/zinc/93/41/36/663934136.db2.gz PQOMVXJBGHYMFM-XOSUWLCWSA-N 1 3 323.437 -0.068 20 0 DBADHO C[C@@H](NC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CCCO)C1 ZINC000970168541 663934276 /nfs/dbraw/zinc/93/42/76/663934276.db2.gz CPDDPZRXRGKJBP-RXAYYZCOSA-N 1 3 323.437 -0.332 20 0 DBADHO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)C1CN(C[C@H](C)O)C1 ZINC000970558286 664007090 /nfs/dbraw/zinc/00/70/90/664007090.db2.gz BBRFNKDHLIFTQT-QWHCGFSZSA-N 1 3 323.441 -0.124 20 0 DBADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC000970792333 664051850 /nfs/dbraw/zinc/05/18/50/664051850.db2.gz JOUBPXDACNTAJJ-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@H+](C)CCn2cncn2)C1 ZINC000971200831 664123279 /nfs/dbraw/zinc/12/32/79/664123279.db2.gz JNFMTLSIQYRHQE-ZIAGYGMSSA-N 1 3 306.414 -0.095 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971200831 664123282 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C[N@H+]1CC[C@@H](CC(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000996437080 678248423 /nfs/dbraw/zinc/24/84/23/678248423.db2.gz SSLLVPSIWPWQBK-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO CC(C)[C@@H](C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000996469415 678252511 /nfs/dbraw/zinc/25/25/11/678252511.db2.gz LVIWLNPWGDZDER-AWEZNQCLSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@@H](C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC000996470943 678253768 /nfs/dbraw/zinc/25/37/68/678253768.db2.gz YBPSXMFXFLBNCR-ZDUSSCGKSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1)C1CCC1 ZINC000996665645 678276829 /nfs/dbraw/zinc/27/68/29/678276829.db2.gz NWEVNQMGBBKSMG-CQSZACIVSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000997009117 678356809 /nfs/dbraw/zinc/35/68/09/678356809.db2.gz YGRATZWLORPNSD-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@@H](C(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1)N(C)C ZINC000997009675 678356879 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C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000999871919 678762251 /nfs/dbraw/zinc/76/22/51/678762251.db2.gz OTOAYKQYTNPTDY-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000999871919 678762255 /nfs/dbraw/zinc/76/22/55/678762255.db2.gz OTOAYKQYTNPTDY-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(N1CCC[C@H](N[C@@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000703697 678866810 /nfs/dbraw/zinc/86/68/10/678866810.db2.gz VKFFJQAGPFZGSR-QWHCGFSZSA-N 1 3 306.410 -0.449 20 0 DBADHO CN1CC[C@@H](N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000705310 678867463 /nfs/dbraw/zinc/86/74/63/678867463.db2.gz AYGDJYIHTKPNMK-UONOGXRCSA-N 1 3 320.437 -0.107 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC001001997432 678964874 /nfs/dbraw/zinc/96/48/74/678964874.db2.gz HJIOYBYQYZZVNC-GJZGRUSLSA-N 1 3 322.453 -0.147 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC001001997432 678964875 /nfs/dbraw/zinc/96/48/75/678964875.db2.gz HJIOYBYQYZZVNC-GJZGRUSLSA-N 1 3 322.453 -0.147 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@@H+]1C ZINC001002234150 678972567 /nfs/dbraw/zinc/97/25/67/678972567.db2.gz FFBQXHRLCWKAOB-BPLDGKMQSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)[C@H]3CCCN3C)C2)CC[N@H+]1C ZINC001002234150 678972568 /nfs/dbraw/zinc/97/25/68/678972568.db2.gz FFBQXHRLCWKAOB-BPLDGKMQSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC001002245335 678972994 /nfs/dbraw/zinc/97/29/94/678972994.db2.gz DMSMVVNRWZUFND-BXUZGUMPSA-N 1 3 319.409 -0.133 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC001002245335 678972996 /nfs/dbraw/zinc/97/29/96/678972996.db2.gz DMSMVVNRWZUFND-BXUZGUMPSA-N 1 3 319.409 -0.133 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NC2CCN(CCO)CC2)n1 ZINC001002845321 679006178 /nfs/dbraw/zinc/00/61/78/679006178.db2.gz QWDRQCQHRGGCQA-UHFFFAOYSA-N 1 3 309.414 -0.369 20 0 DBADHO CN(CCNC(=O)C12CCC[NH+](CCC1)C2)CCOCCO ZINC000922109019 679014122 /nfs/dbraw/zinc/01/41/22/679014122.db2.gz BSHGCTHHCJLSTM-UHFFFAOYSA-N 1 3 313.442 -0.081 20 0 DBADHO O=C(NC1CC[NH+](CCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001003332325 679033686 /nfs/dbraw/zinc/03/36/86/679033686.db2.gz KOXANKQADDGRPU-UGWHAMFMSA-N 1 3 309.410 -0.578 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000842098927 805581150 /nfs/dbraw/zinc/58/11/50/805581150.db2.gz XGQYETZLQKDNPG-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842202609 805587915 /nfs/dbraw/zinc/58/79/15/805587915.db2.gz OUZWJNHHMQFCKK-YOEHRIQHSA-N 1 3 320.437 -0.059 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@@H]12)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848616932 805844449 /nfs/dbraw/zinc/84/44/49/805844449.db2.gz YTYVMDYPVMOZEC-KBXIAJHMSA-N 1 3 320.437 -0.060 20 0 DBADHO CC[C@@H](CNS(C)(=O)=O)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849114514 805858068 /nfs/dbraw/zinc/85/80/68/805858068.db2.gz LKUZTXOPANPDPL-NWDGAFQWSA-N 1 3 319.475 -0.088 20 0 DBADHO [NH3+]CCn1cc(C(=O)NC[C@H]2NCCc3ccccc32)nn1 ZINC000851635096 805921906 /nfs/dbraw/zinc/92/19/06/805921906.db2.gz ICEXYWUKXSWRID-CYBMUJFWSA-N 1 3 300.366 -0.146 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000851685040 805925463 /nfs/dbraw/zinc/92/54/63/805925463.db2.gz OUCCIOBSTAZOPW-QWHCGFSZSA-N 1 3 324.425 -0.647 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCCC1 ZINC000851685042 805925738 /nfs/dbraw/zinc/92/57/38/805925738.db2.gz OUCCIOBSTAZOPW-STQMWFEESA-N 1 3 324.425 -0.647 20 0 DBADHO C[C@H](CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2)N1CCCCC1 ZINC000851686910 805926955 /nfs/dbraw/zinc/92/69/55/805926955.db2.gz JSJVNXQNWCXHJF-VEAWUBTESA-N 1 3 308.426 -0.155 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000851690508 805928541 /nfs/dbraw/zinc/92/85/41/805928541.db2.gz DQZHILONVGTCEZ-CZUORRHYSA-N 1 3 308.426 -0.059 20 0 DBADHO CN1CCC[C@H]1C(=O)NCCC[N@H+](C)CCN1CCNC1=O ZINC001316815221 805991082 /nfs/dbraw/zinc/99/10/82/805991082.db2.gz INLJIRSCMHDYEZ-ZDUSSCGKSA-N 1 3 311.430 -0.456 20 0 DBADHO CN1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCN1CCNC1=O ZINC001316815221 805991091 /nfs/dbraw/zinc/99/10/91/805991091.db2.gz INLJIRSCMHDYEZ-ZDUSSCGKSA-N 1 3 311.430 -0.456 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COCCO1 ZINC000853464212 806007131 /nfs/dbraw/zinc/00/71/31/806007131.db2.gz TWXCDGYBSREURU-KBPBESRZSA-N 1 3 316.446 -0.027 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@H]1COCCO1 ZINC000853464212 806007138 /nfs/dbraw/zinc/00/71/38/806007138.db2.gz TWXCDGYBSREURU-KBPBESRZSA-N 1 3 316.446 -0.027 20 0 DBADHO CON(C)C(=O)CNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000854184490 806029562 /nfs/dbraw/zinc/02/95/62/806029562.db2.gz XLPPBTBWDXHURU-LBPRGKRZSA-N 1 3 317.434 -0.423 20 0 DBADHO CON(C)C(=O)CNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000854184490 806029567 /nfs/dbraw/zinc/02/95/67/806029567.db2.gz 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ZINC000861572052 806275163 /nfs/dbraw/zinc/27/51/63/806275163.db2.gz MJFCXQCGKLDXDX-ZIAGYGMSSA-N 1 3 314.430 -0.273 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)NC[C@H](C)N1CCCCC1 ZINC000861729017 806286032 /nfs/dbraw/zinc/28/60/32/806286032.db2.gz NOXMSMGVCYQLTD-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C[NH2+]1 ZINC000861756249 806289240 /nfs/dbraw/zinc/28/92/40/806289240.db2.gz WDIZQMSFTULLNA-RQJABVFESA-N 1 3 324.425 -0.778 20 0 DBADHO C[C@H](CN1CCOCC1)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711784 806452040 /nfs/dbraw/zinc/45/20/40/806452040.db2.gz NPODZXRYPFMUHY-BARDWOONSA-N 1 3 324.425 -0.426 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCCS(C)(=O)=O ZINC001320995962 806551727 /nfs/dbraw/zinc/55/17/27/806551727.db2.gz BJHHQJFLSWCFBR-OOPCZODUSA-N 1 3 317.455 -0.223 20 0 DBADHO CC(C)C[C@H](N)C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004933 806616834 /nfs/dbraw/zinc/61/68/34/806616834.db2.gz 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ZINC000766143876 804312212 /nfs/dbraw/zinc/31/22/12/804312212.db2.gz HFDHTMDRSLCCJE-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO CN(C[C@H](O)C[NH2+]CC[C@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001284446600 804709133 /nfs/dbraw/zinc/70/91/33/804709133.db2.gz LHWLSURLGWEYQB-ZIAGYGMSSA-N 1 3 310.398 -0.070 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000793935808 804742690 /nfs/dbraw/zinc/74/26/90/804742690.db2.gz HOJOYIOYRIZTNV-KGLIPLIRSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000793935808 804742695 /nfs/dbraw/zinc/74/26/95/804742695.db2.gz HOJOYIOYRIZTNV-KGLIPLIRSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001284853763 804778004 /nfs/dbraw/zinc/77/80/04/804778004.db2.gz BLWXSEISNHYDFT-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO CC(C)N(C)CC(=O)NCC1([NH2+]CCCO)CCOCC1 ZINC001325037328 807025675 /nfs/dbraw/zinc/02/56/75/807025675.db2.gz MAIJNOAJSPZXLH-UHFFFAOYSA-N 1 3 301.431 -0.036 20 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/nfs/dbraw/zinc/38/30/88/805383088.db2.gz NNFYALWQZUUFKV-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001293088073 805383098 /nfs/dbraw/zinc/38/30/98/805383098.db2.gz NNFYALWQZUUFKV-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884576733 807057358 /nfs/dbraw/zinc/05/73/58/807057358.db2.gz PAJJVGTVGVNISB-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884578193 807058119 /nfs/dbraw/zinc/05/81/19/807058119.db2.gz VMIPJLVYIGDILC-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884588070 807058902 /nfs/dbraw/zinc/05/89/02/807058902.db2.gz XOQILZPDPDDBMG-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NCCC(C)(C)[NH3+])CCSC1 ZINC000884612663 807059992 /nfs/dbraw/zinc/05/99/92/807059992.db2.gz QVLVXPPIADCGNP-AWEZNQCLSA-N 1 3 316.471 -0.217 20 0 DBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000884612379 807060205 /nfs/dbraw/zinc/06/02/05/807060205.db2.gz KISPKHUUYJYWPU-SUNKGSAMSA-N 1 3 314.455 -0.512 20 0 DBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC001325363035 807063674 /nfs/dbraw/zinc/06/36/74/807063674.db2.gz RERMLOCVSRQXCY-FZMZJTMJSA-N 1 3 316.471 -0.346 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C1 ZINC000884787357 807076908 /nfs/dbraw/zinc/07/69/08/807076908.db2.gz OUZJYSOKCADDSN-BFHYXJOUSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC000885157212 807086672 /nfs/dbraw/zinc/08/66/72/807086672.db2.gz IPWRHPWYVSRAEK-HNNXBMFYSA-N 1 3 318.421 -0.163 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001326147643 807153344 /nfs/dbraw/zinc/15/33/44/807153344.db2.gz VFNJXPSDEMOIEO-ZDUSSCGKSA-N 1 3 309.414 -0.718 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001326147643 807153346 /nfs/dbraw/zinc/15/33/46/807153346.db2.gz VFNJXPSDEMOIEO-ZDUSSCGKSA-N 1 3 309.414 -0.718 20 0 DBADHO [NH3+]CCCCn1cc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)nn1 ZINC001326317444 807170087 /nfs/dbraw/zinc/17/00/87/807170087.db2.gz AIFSXUMGSGHOJG-STQMWFEESA-N 1 3 322.413 -0.390 20 0 DBADHO O=C(NCCC[NH+]1CCC(O)CC1)c1[nH]nc2c1CNCC2 ZINC001326346679 807172777 /nfs/dbraw/zinc/17/27/77/807172777.db2.gz MJWYWDJFMNVKHW-UHFFFAOYSA-N 1 3 307.398 -0.368 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1CCCN([C@H]2CCC(=O)NC2=O)CC1 ZINC001327144956 807244554 /nfs/dbraw/zinc/24/45/54/807244554.db2.gz BDJHFDFPCXKXOB-STQMWFEESA-N 1 3 324.425 -0.286 20 0 DBADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]21 ZINC001036809327 815106057 /nfs/dbraw/zinc/10/60/57/815106057.db2.gz JICIFSFSOOKRME-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](C[NH3+])N(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327498098 807293698 /nfs/dbraw/zinc/29/36/98/807293698.db2.gz JAWDLZHTOWFPJK-YPMHNXCESA-N 1 3 312.414 -0.839 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327513616 807296658 /nfs/dbraw/zinc/29/66/58/807296658.db2.gz BXEGWCBRMHMQCR-WCQYABFASA-N 1 3 312.414 -0.933 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CCCO)C1)N(C)C ZINC001327568650 807305059 /nfs/dbraw/zinc/30/50/59/807305059.db2.gz IBMCKFMNRPTCOW-HOCLYGCPSA-N 1 3 315.458 -0.102 20 0 DBADHO CN1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900675776 807319041 /nfs/dbraw/zinc/31/90/41/807319041.db2.gz VOSHFRYDHJJLQF-JLJPHGGASA-N 1 3 324.469 -0.274 20 0 DBADHO CN1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900675776 807319051 /nfs/dbraw/zinc/31/90/51/807319051.db2.gz VOSHFRYDHJJLQF-JLJPHGGASA-N 1 3 324.469 -0.274 20 0 DBADHO CN1C[C@@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900675776 807319060 /nfs/dbraw/zinc/31/90/60/807319060.db2.gz VOSHFRYDHJJLQF-JLJPHGGASA-N 1 3 324.469 -0.274 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901106146 807350271 /nfs/dbraw/zinc/35/02/71/807350271.db2.gz MKTZPKCGCOZGSK-AWEZNQCLSA-N 1 3 320.437 -0.153 20 0 DBADHO [NH3+][C@@H]1CC[C@H](CN2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000903441575 807388916 /nfs/dbraw/zinc/38/89/16/807388916.db2.gz ZAQHLNKCZDIYTI-LSDHHAIUSA-N 1 3 310.442 -0.410 20 0 DBADHO COC[C@@H](C)NC(=O)NC(=O)CN1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496341 807391585 /nfs/dbraw/zinc/39/15/85/807391585.db2.gz KXGDHUMGKGEAPA-IJLUTSLNSA-N 1 3 300.403 -0.236 20 0 DBADHO C[C@@H]1CN(CCNS(=O)(=O)c2cnn(C)c2)C[C@H]1CC[NH3+] ZINC000903497430 807391707 /nfs/dbraw/zinc/39/17/07/807391707.db2.gz WKZCKEDMBSLRCJ-VXGBXAGGSA-N 1 3 315.443 -0.385 20 0 DBADHO NC(=O)NC(=O)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903509125 807391970 /nfs/dbraw/zinc/39/19/70/807391970.db2.gz BKERDQPRNJYXHJ-BETUJISGSA-N 1 3 309.414 -0.528 20 0 DBADHO NC(=O)NC(=O)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903509125 807391977 /nfs/dbraw/zinc/39/19/77/807391977.db2.gz BKERDQPRNJYXHJ-BETUJISGSA-N 1 3 309.414 -0.528 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903718987 807403757 /nfs/dbraw/zinc/40/37/57/807403757.db2.gz GIXSVWMBARYBOM-UWVGGRQHSA-N 1 3 324.347 -0.256 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000905005771 807436810 /nfs/dbraw/zinc/43/68/10/807436810.db2.gz GDPYPHFXQDAASE-LRDDRELGSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905009071 807437782 /nfs/dbraw/zinc/43/77/82/807437782.db2.gz QKIHPHXJLBZKOK-CZUORRHYSA-N 1 3 308.426 -0.120 20 0 DBADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC000905084057 807444967 /nfs/dbraw/zinc/44/49/67/807444967.db2.gz RZZWYRKJNKNEGX-KGLIPLIRSA-N 1 3 313.442 -0.171 20 0 DBADHO CN1CCN(CC[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1(C)C ZINC000905248328 807450377 /nfs/dbraw/zinc/45/03/77/807450377.db2.gz SWDLHWMBZFLXQL-CQSZACIVSA-N 1 3 315.458 -0.496 20 0 DBADHO CN1CCN(CC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1(C)C ZINC000905248464 807450454 /nfs/dbraw/zinc/45/04/54/807450454.db2.gz UGMJVLHNABBBSQ-ZBFHGGJFSA-N 1 3 315.458 -0.496 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)C2(O)CCOCC2)CCCO1 ZINC000905229952 807450524 /nfs/dbraw/zinc/45/05/24/807450524.db2.gz DJJNQCAFGWXYKS-HUUCEWRRSA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)C2(O)CCOCC2)CCCO1 ZINC000905229952 807450529 /nfs/dbraw/zinc/45/05/29/807450529.db2.gz DJJNQCAFGWXYKS-HUUCEWRRSA-N 1 3 316.442 -0.021 20 0 DBADHO CN(CCOCCO)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001328786790 807468644 /nfs/dbraw/zinc/46/86/44/807468644.db2.gz QQLBHUAXBZCREX-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCOCCO)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001328786790 807468650 /nfs/dbraw/zinc/46/86/50/807468650.db2.gz QQLBHUAXBZCREX-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO COCC[NH2+]C1CCN(C(=O)c2[nH]nc3c2CNCC3)CC1 ZINC001328846979 807477305 /nfs/dbraw/zinc/47/73/05/807477305.db2.gz ZTVCDOXDHURJOI-UHFFFAOYSA-N 1 3 307.398 -0.104 20 0 DBADHO CN(CCOCC[NH3+])C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001329431865 807564667 /nfs/dbraw/zinc/56/46/67/807564667.db2.gz CQQVCODLWLNEIM-AWEZNQCLSA-N 1 3 314.430 -0.144 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000908201949 807580384 /nfs/dbraw/zinc/58/03/84/807580384.db2.gz NNAWHPYFTRWVMT-YCPHGPKFSA-N 1 3 311.426 -0.499 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)C1 ZINC000908201949 807580390 /nfs/dbraw/zinc/58/03/90/807580390.db2.gz NNAWHPYFTRWVMT-YCPHGPKFSA-N 1 3 311.426 -0.499 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000908540169 807599076 /nfs/dbraw/zinc/59/90/76/807599076.db2.gz GPGBHSACJZDALY-HOCLYGCPSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCCN(CCCO)C2)C1 ZINC000908540169 807599082 /nfs/dbraw/zinc/59/90/82/807599082.db2.gz GPGBHSACJZDALY-HOCLYGCPSA-N 1 3 313.442 -0.204 20 0 DBADHO COCC[NH2+]C1CCN(C(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC001329761280 807615131 /nfs/dbraw/zinc/61/51/31/807615131.db2.gz XTXQXPWOEIGXMW-AWEZNQCLSA-N 1 3 314.430 -0.687 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC(=O)C1 ZINC000923200867 807652125 /nfs/dbraw/zinc/65/21/25/807652125.db2.gz FBOAZRWPBNXHRJ-RYUDHWBXSA-N 1 3 300.403 -0.127 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1COC(=O)C1 ZINC000923200867 807652131 /nfs/dbraw/zinc/65/21/31/807652131.db2.gz FBOAZRWPBNXHRJ-RYUDHWBXSA-N 1 3 300.403 -0.127 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H]1CO ZINC000923201931 807652505 /nfs/dbraw/zinc/65/25/05/807652505.db2.gz WKNLDLJEGLGEIA-UONOGXRCSA-N 1 3 316.446 -0.339 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCOC[C@H]1CO ZINC000923201931 807652509 /nfs/dbraw/zinc/65/25/09/807652509.db2.gz WKNLDLJEGLGEIA-UONOGXRCSA-N 1 3 316.446 -0.339 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324057 807660479 /nfs/dbraw/zinc/66/04/79/807660479.db2.gz PYGUEYLZNVFDQK-HNNXBMFYSA-N 1 3 324.469 -0.149 20 0 DBADHO O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC000923414998 807666539 /nfs/dbraw/zinc/66/65/39/807666539.db2.gz OCUDBMFPGIUJDA-SYQHCUMBSA-N 1 3 321.381 -0.889 20 0 DBADHO COCCCS(=O)(=O)NCCN1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499899 807674107 /nfs/dbraw/zinc/67/41/07/807674107.db2.gz VAOYNXMHZZDDQG-OLZOCXBDSA-N 1 3 307.460 -0.141 20 0 DBADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000923485794 807674538 /nfs/dbraw/zinc/67/45/38/807674538.db2.gz MARUUSNEOJSIMQ-ZDUSSCGKSA-N 1 3 308.426 -0.262 20 0 DBADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000923485182 807674633 /nfs/dbraw/zinc/67/46/33/807674633.db2.gz PQFVVVUPRXQPCS-CQSZACIVSA-N 1 3 318.425 -0.204 20 0 DBADHO CCC[NH+]1CCC(CNS(=O)(=O)N2CCNCC2)CC1 ZINC000923601190 807684397 /nfs/dbraw/zinc/68/43/97/807684397.db2.gz LTXOQAYOOBPAPB-UHFFFAOYSA-N 1 3 304.460 -0.152 20 0 DBADHO [NH3+]CCCN(CC1CCCC1)S(=O)(=O)N1CCNCC1 ZINC000923647552 807696207 /nfs/dbraw/zinc/69/62/07/807696207.db2.gz ZUIXAJVVQMIQJT-UHFFFAOYSA-N 1 3 304.460 -0.023 20 0 DBADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2S(=O)(=O)C2CNC2)C1 ZINC000923651513 807696308 /nfs/dbraw/zinc/69/63/08/807696308.db2.gz GPBSZNOQEIUXJI-RTXFEEFZSA-N 1 3 303.428 -0.351 20 0 DBADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923648515 807696521 /nfs/dbraw/zinc/69/65/21/807696521.db2.gz TYWFPEWOEAFVTH-QWHCGFSZSA-N 1 3 303.428 -0.494 20 0 DBADHO [NH3+]C[C@H]1CN(S(=O)(=O)C2CNC2)CC[C@H]1C(F)(F)F ZINC000923660735 807698547 /nfs/dbraw/zinc/69/85/47/807698547.db2.gz CSQWMYYPZNQATL-IONNQARKSA-N 1 3 301.334 -0.253 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926331510 807760303 /nfs/dbraw/zinc/76/03/03/807760303.db2.gz AZSJVUILJRTAPG-MJBXVCDLSA-N 1 3 306.410 -0.639 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC[C@H]1C[NH3+] ZINC000926333340 807760511 /nfs/dbraw/zinc/76/05/11/807760511.db2.gz IZGRYIYLEVBGAS-HZSPNIEDSA-N 1 3 308.426 -0.264 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC[C@@H]1C[NH3+] ZINC000926358788 807765086 /nfs/dbraw/zinc/76/50/86/807765086.db2.gz FZSKEKLIPDNYQL-CHWSQXEVSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000926388785 807767113 /nfs/dbraw/zinc/76/71/13/807767113.db2.gz JKBPUEVCZDBNPF-LSDHHAIUSA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC[C@H]1C[NH3+] ZINC000926383805 807767143 /nfs/dbraw/zinc/76/71/43/807767143.db2.gz WLCWIDPWIOKNNB-RDBSUJKOSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)CC[C@@H]1C[NH3+] ZINC000926383803 807767398 /nfs/dbraw/zinc/76/73/98/807767398.db2.gz WLCWIDPWIOKNNB-MCIONIFRSA-N 1 3 310.442 -0.018 20 0 DBADHO CCO[C@@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)C[NH+](C)C ZINC000926833729 807777635 /nfs/dbraw/zinc/77/76/35/807777635.db2.gz CEYHWWUMQVPHOJ-KBPBESRZSA-N 1 3 316.446 -0.075 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCCN1CCOCCO ZINC001332198955 807883538 /nfs/dbraw/zinc/88/35/38/807883538.db2.gz MMPOUTXTXHBWET-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO COC[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001332318179 807899415 /nfs/dbraw/zinc/89/94/15/807899415.db2.gz NJOYBCHSXUGWJT-LBPRGKRZSA-N 1 3 302.419 -0.911 20 0 DBADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934269968 808024356 /nfs/dbraw/zinc/02/43/56/808024356.db2.gz RPBVCAXFVSRLMZ-JYJNAYRXSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934269968 808024362 /nfs/dbraw/zinc/02/43/62/808024362.db2.gz RPBVCAXFVSRLMZ-JYJNAYRXSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934269967 808024463 /nfs/dbraw/zinc/02/44/63/808024463.db2.gz RPBVCAXFVSRLMZ-HRCADAONSA-N 1 3 315.458 -0.544 20 0 DBADHO COCCN(C)C[C@H](O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934269967 808024472 /nfs/dbraw/zinc/02/44/72/808024472.db2.gz RPBVCAXFVSRLMZ-HRCADAONSA-N 1 3 315.458 -0.544 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC001333349415 808047422 /nfs/dbraw/zinc/04/74/22/808047422.db2.gz DIMVDECXWXFSMG-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC001333407192 808056238 /nfs/dbraw/zinc/05/62/38/808056238.db2.gz UCFFPKNYRRKSMC-RQJABVFESA-N 1 3 324.425 -0.648 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946779374 808136964 /nfs/dbraw/zinc/13/69/64/808136964.db2.gz NUOSWIMQMBQRSA-XQLPTFJDSA-N 1 3 322.453 -0.160 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[C@H]2CN(CC(N)=O)C[C@H]2CC1 ZINC000946779374 808136969 /nfs/dbraw/zinc/13/69/69/808136969.db2.gz NUOSWIMQMBQRSA-XQLPTFJDSA-N 1 3 322.453 -0.160 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4CC[C@@]43C[NH3+])C[C@@H]21 ZINC001334787873 808201574 /nfs/dbraw/zinc/20/15/74/808201574.db2.gz KZBOKASDFFSJAQ-XJIUQZFPSA-N 1 3 320.437 -0.121 20 0 DBADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)C1(O)CCOCC1 ZINC001336134437 808345647 /nfs/dbraw/zinc/34/56/47/808345647.db2.gz AFSCYTIOIDUYBZ-AWEZNQCLSA-N 1 3 302.415 -0.675 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC[C@@H]1C[NH3+] ZINC001340097932 808620018 /nfs/dbraw/zinc/62/00/18/808620018.db2.gz GFACSVHMGQKCLC-YIYPIFLZSA-N 1 3 308.426 -0.408 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001340115000 808621944 /nfs/dbraw/zinc/62/19/44/808621944.db2.gz ZMNZSLMWNLCKCM-KGLIPLIRSA-N 1 3 300.447 -0.653 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H]2C[NH2+]CCN2C)C[C@H](C)O1 ZINC001340820474 808657987 /nfs/dbraw/zinc/65/79/87/808657987.db2.gz FUAJSNMWXOJXJH-ZNMIVQPWSA-N 1 3 312.458 -0.104 20 0 DBADHO C[NH2+]C[C@H](O)[C@H](C)C(=O)NCCCCN1CCN(C)CC1 ZINC001340892385 808662525 /nfs/dbraw/zinc/66/25/25/808662525.db2.gz FGCCOLZEDVOUNF-KBPBESRZSA-N 1 3 300.447 -0.653 20 0 DBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341580046 808690494 /nfs/dbraw/zinc/69/04/94/808690494.db2.gz NFOFJPDWOISYIH-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000955343761 809395281 /nfs/dbraw/zinc/39/52/81/809395281.db2.gz BLQOACUOKRIMBZ-DZGCQCFKSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)CN2CCCC2)C1 ZINC000955343761 809395283 /nfs/dbraw/zinc/39/52/83/809395283.db2.gz BLQOACUOKRIMBZ-DZGCQCFKSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000955443062 809415922 /nfs/dbraw/zinc/41/59/22/809415922.db2.gz AQHLSQPKOYYWRM-LBPRGKRZSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955443062 809415928 /nfs/dbraw/zinc/41/59/28/809415928.db2.gz AQHLSQPKOYYWRM-LBPRGKRZSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000955443012 809416394 /nfs/dbraw/zinc/41/63/94/809416394.db2.gz ABSTWRBLMJKQPC-UHFFFAOYSA-N 1 3 317.393 -0.283 20 0 DBADHO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CN2CCN1CCC2 ZINC000956754238 809545633 /nfs/dbraw/zinc/54/56/33/809545633.db2.gz LYSAZKPIICTGOI-OAHLLOKOSA-N 1 3 310.442 -0.803 20 0 DBADHO COCCN1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214456 809814334 /nfs/dbraw/zinc/81/43/34/809814334.db2.gz HXFVMELPTORHFW-UONOGXRCSA-N 1 3 311.426 -0.330 20 0 DBADHO O=C(CN1CCCC1)N1CCCC[C@H]1C[NH2+][C@@H]1CCNC1=O ZINC000960217654 810161048 /nfs/dbraw/zinc/16/10/48/810161048.db2.gz VORHPLIAVNFWAV-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960778187 810199866 /nfs/dbraw/zinc/19/98/66/810199866.db2.gz VKPLJJBLRYDFNJ-RFQIPJPRSA-N 1 3 318.421 -0.450 20 0 DBADHO O=C(N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962301341 810502111 /nfs/dbraw/zinc/50/21/11/810502111.db2.gz WYQQUTFNGUELHO-QNWHQSFQSA-N 1 3 304.394 -0.983 20 0 DBADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962301352 810502373 /nfs/dbraw/zinc/50/23/73/810502373.db2.gz WYQQUTFNGUELHO-XQHKEYJVSA-N 1 3 304.394 -0.983 20 0 DBADHO Cn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC000962550605 810549643 /nfs/dbraw/zinc/54/96/43/810549643.db2.gz FJNKOJHDSOXTSW-WCVJEAGWSA-N 1 3 317.437 -0.039 20 0 DBADHO Cn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000962550605 810549649 /nfs/dbraw/zinc/54/96/49/810549649.db2.gz FJNKOJHDSOXTSW-WCVJEAGWSA-N 1 3 317.437 -0.039 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC000962555427 810551299 /nfs/dbraw/zinc/55/12/99/810551299.db2.gz PMPMLKRBFXRLTR-MQYQWHSLSA-N 1 3 321.425 -0.990 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(CCN4CCNC4=O)C[C@H]32)C1 ZINC000962555427 810551304 /nfs/dbraw/zinc/55/13/04/810551304.db2.gz PMPMLKRBFXRLTR-MQYQWHSLSA-N 1 3 321.425 -0.990 20 0 DBADHO O=C(NC1CC2(C1)CC([NH2+]CCO)C2)[C@H]1CN2CCC[C@H]2CO1 ZINC000963839574 810667025 /nfs/dbraw/zinc/66/70/25/810667025.db2.gz TXYDJAVYGCZLNI-SCTLLLDMSA-N 1 3 323.437 -0.141 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC000967708477 811284314 /nfs/dbraw/zinc/28/43/14/811284314.db2.gz JYADHTZFUHHUKF-OLZOCXBDSA-N 1 3 322.409 -0.580 20 0 DBADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC000968924490 811515002 /nfs/dbraw/zinc/51/50/02/811515002.db2.gz LXXWFZBDVKVGGW-TZMCWYRMSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000969099014 811548797 /nfs/dbraw/zinc/54/87/97/811548797.db2.gz JHZMKYADJSPMDT-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001004447701 811981269 /nfs/dbraw/zinc/98/12/69/811981269.db2.gz GMMDZNCIJSWWSO-DZGCQCFKSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001004447701 811981271 /nfs/dbraw/zinc/98/12/71/811981271.db2.gz GMMDZNCIJSWWSO-DZGCQCFKSA-N 1 3 322.453 -0.146 20 0 DBADHO 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/nfs/dbraw/zinc/71/90/23/825719023.db2.gz BOYLQOIGRQLVNF-KBPBESRZSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)(C(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)N1CCCC1 ZINC001090487977 825719027 /nfs/dbraw/zinc/71/90/27/825719027.db2.gz BOYLQOIGRQLVNF-KBPBESRZSA-N 1 3 313.442 -0.205 20 0 DBADHO CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C(C)C)C1=O ZINC001115303533 828826934 /nfs/dbraw/zinc/82/69/34/828826934.db2.gz FISNEMRFVDCLGR-KNCOVGOOSA-N 1 3 322.453 -0.006 20 0 DBADHO CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C(C)C)C1=O ZINC001115303533 828826946 /nfs/dbraw/zinc/82/69/46/828826946.db2.gz FISNEMRFVDCLGR-KNCOVGOOSA-N 1 3 322.453 -0.006 20 0 DBADHO CN(C(=O)[C@@H](N)CSCC[NH3+])[C@H]1CCC2(C1)OCCO2 ZINC001161218085 832992131 /nfs/dbraw/zinc/99/21/31/832992131.db2.gz HDYKXQBSSDEEPH-QWRGUYRKSA-N 1 3 303.428 -0.240 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001161226815 832992310 /nfs/dbraw/zinc/99/23/10/832992310.db2.gz PRRNLHGBQYBDIC-NSHDSACASA-N 1 3 312.414 -0.382 20 0 DBADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161239252 832994696 /nfs/dbraw/zinc/99/46/96/832994696.db2.gz YNEYRTXFDDNJFZ-STQMWFEESA-N 1 3 324.425 -0.824 20 0 DBADHO COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161239252 832994702 /nfs/dbraw/zinc/99/47/02/832994702.db2.gz YNEYRTXFDDNJFZ-STQMWFEESA-N 1 3 324.425 -0.824 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001161251771 832995713 /nfs/dbraw/zinc/99/57/13/832995713.db2.gz YMESUUGLQOBKEI-UHFFFAOYSA-N 1 3 307.460 -0.143 20 0 DBADHO COc1cc(N2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)ccn1 ZINC001161305953 833000493 /nfs/dbraw/zinc/00/04/93/833000493.db2.gz DJLFSGNIGWWUJA-CYBMUJFWSA-N 1 3 307.398 -0.195 20 0 DBADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133217 826090929 /nfs/dbraw/zinc/09/09/29/826090929.db2.gz WLBUSXDASXPJPN-FRRDWIJNSA-N 1 3 308.426 -0.360 20 0 DBADHO C[C@@H]1CN(CC(=O)N(C)C)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093132848 826091371 /nfs/dbraw/zinc/09/13/71/826091371.db2.gz CFDCYOJOXHQBTF-ZIAGYGMSSA-N 1 3 322.453 -0.146 20 0 DBADHO [NH3+]C1CCN([C@H]2CCN(C(=O)c3n[nH]c4c3CCNC4)C2)CC1 ZINC001161378955 833009624 /nfs/dbraw/zinc/00/96/24/833009624.db2.gz BVEBVWMGKMHSEY-LBPRGKRZSA-N 1 3 318.425 -0.307 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380313 833010453 /nfs/dbraw/zinc/01/04/53/833010453.db2.gz TVMYICKHEDMQRA-OLZOCXBDSA-N 1 3 312.414 -0.709 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161381876 833010757 /nfs/dbraw/zinc/01/07/57/833010757.db2.gz QLPPUBWEXDLZTR-GJZGRUSLSA-N 1 3 321.425 -0.387 20 0 DBADHO O=C([C@@H]1CNCCN1)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386638 833012268 /nfs/dbraw/zinc/01/22/68/833012268.db2.gz KYKOPRMNWOSGOH-ZDUSSCGKSA-N 1 3 307.373 -0.133 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1CNC[C@@H](F)C1)CC2 ZINC001161476201 833022180 /nfs/dbraw/zinc/02/21/80/833022180.db2.gz BEJFOZKMCZNITR-OHTBPHCPSA-N 1 3 313.373 -0.312 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)N2C[C@H]([NH3+])C3(COC3)C2)cn1 ZINC001161498946 833029167 /nfs/dbraw/zinc/02/91/67/833029167.db2.gz CWKFOGWCJSQMLP-RYUDHWBXSA-N 1 3 306.366 -0.334 20 0 DBADHO COC(=O)CC[C@H]1COCCN1C(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001161565581 833035025 /nfs/dbraw/zinc/03/50/25/833035025.db2.gz IAIMHFVDOZQXLI-GXTWGEPZSA-N 1 3 313.398 -0.506 20 0 DBADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H](N)CCC[NH3+])C2 ZINC001161602445 833040418 /nfs/dbraw/zinc/04/04/18/833040418.db2.gz ZXSXDCSDYPSXJX-JTQLQIEISA-N 1 3 309.370 -0.495 20 0 DBADHO CCOC(=O)c1c2c(nn1C)CN(C(=O)[C@@H](N)CCCC[NH3+])C2 ZINC001161601697 833040755 /nfs/dbraw/zinc/04/07/55/833040755.db2.gz KGXQHEVKHQNXLW-NSHDSACASA-N 1 3 323.397 -0.105 20 0 DBADHO CN(C)[C@H](C(=O)N1CCC([NH+](CCO)CCO)CC1)C1CC1 ZINC001098391424 826475307 /nfs/dbraw/zinc/47/53/07/826475307.db2.gz CPYKXNMLZUZNDU-HNNXBMFYSA-N 1 3 313.442 -0.396 20 0 DBADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)C[C@@H](C)O)CC1 ZINC001098540673 826498342 /nfs/dbraw/zinc/49/83/42/826498342.db2.gz ULXVYNJSOMDUDN-CQSZACIVSA-N 1 3 315.458 -0.006 20 0 DBADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)C[C@@H](C)O)CC1 ZINC001098540673 826498343 /nfs/dbraw/zinc/49/83/43/826498343.db2.gz ULXVYNJSOMDUDN-CQSZACIVSA-N 1 3 315.458 -0.006 20 0 DBADHO CNC(=O)CN1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CC[NH+](C)C)C1 ZINC001099529399 826569028 /nfs/dbraw/zinc/56/90/28/826569028.db2.gz PJPAMNLIUVNNBP-AJNGGQMLSA-N 1 3 322.453 -0.147 20 0 DBADHO CN1CC[C@H](NC/C=C/CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001274511634 833088619 /nfs/dbraw/zinc/08/86/19/833088619.db2.gz PTNXJLKGCGLZTL-IBUXWKBASA-N 1 3 306.410 -0.425 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971936 826752574 /nfs/dbraw/zinc/75/25/74/826752574.db2.gz OIADGIJGPCKFFK-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099986981 826760196 /nfs/dbraw/zinc/76/01/96/826760196.db2.gz RXQMIPKZXLBRGR-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+](C)CCCCC(=O)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100076367 826828310 /nfs/dbraw/zinc/82/83/10/826828310.db2.gz KGPJYPUUYVWCRX-UONOGXRCSA-N 1 3 301.431 -0.348 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100125008 826875465 /nfs/dbraw/zinc/87/54/65/826875465.db2.gz QLBSAQSIQGZPOS-CABCVRRESA-N 1 3 313.442 -0.204 20 0 DBADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(Nc2cnccc2N2CCOCC2)N1 ZINC001163248355 833142215 /nfs/dbraw/zinc/14/22/15/833142215.db2.gz HEZAKASOWRACDY-DZGCQCFKSA-N 1 3 303.366 -0.092 20 0 DBADHO COC[C@H](O)C[NH2+]C1CC(CNC(=O)CN(C)C(C)C)C1 ZINC001101035952 827065168 /nfs/dbraw/zinc/06/51/68/827065168.db2.gz GAZZUBMESPMSTH-JXQTWKCFSA-N 1 3 301.431 -0.182 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101443958 827108230 /nfs/dbraw/zinc/10/82/30/827108230.db2.gz RHMHXEMTDBYXLA-KEYYUXOJSA-N 1 3 322.453 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101443958 827108240 /nfs/dbraw/zinc/10/82/40/827108240.db2.gz RHMHXEMTDBYXLA-KEYYUXOJSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C[C@@H]3CCC(=O)N3)C[C@H]2CC1 ZINC001275186425 833156263 /nfs/dbraw/zinc/15/62/63/833156263.db2.gz LAAZZVMPEFPNBU-ZNMIVQPWSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](C[C@@H]3CCC(=O)N3)C[C@H]2CC1 ZINC001275186425 833156267 /nfs/dbraw/zinc/15/62/67/833156267.db2.gz LAAZZVMPEFPNBU-ZNMIVQPWSA-N 1 3 322.453 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001102525008 827218189 /nfs/dbraw/zinc/21/81/89/827218189.db2.gz HSCXWYGLXUYXOB-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001102525008 827218199 /nfs/dbraw/zinc/21/81/99/827218199.db2.gz HSCXWYGLXUYXOB-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102513282 827218302 /nfs/dbraw/zinc/21/83/02/827218302.db2.gz CUBYVEIIPMSQMX-JHJVBQTASA-N 1 3 314.430 -0.878 20 0 DBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001102993593 827257965 /nfs/dbraw/zinc/25/79/65/827257965.db2.gz BTNMMOWPSVWYRM-BPLDGKMQSA-N 1 3 322.453 -0.112 20 0 DBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001275330724 833170667 /nfs/dbraw/zinc/17/06/67/833170667.db2.gz GUQRRIUHHNYCPF-WXRRBKDZSA-N 1 3 324.425 -0.384 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)C1 ZINC001103436059 827284698 /nfs/dbraw/zinc/28/46/98/827284698.db2.gz ITSRGRVHTOPOIE-MGPQQGTHSA-N 1 3 310.442 -0.112 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NCC[C@@H]2CN(CC(N)=O)C[C@H]2C)C1 ZINC001103436059 827284706 /nfs/dbraw/zinc/28/47/06/827284706.db2.gz ITSRGRVHTOPOIE-MGPQQGTHSA-N 1 3 310.442 -0.112 20 0 DBADHO CSc1nc(C2C[NH2+]C2)cc(N(C)S(=O)(=O)CCN)n1 ZINC001164286842 833199872 /nfs/dbraw/zinc/19/98/72/833199872.db2.gz BVAPFBDOJQFNQJ-UHFFFAOYSA-N 1 3 317.440 -0.390 20 0 DBADHO CC(C)N1CCO[C@@H](C(=O)NCCC[NH2+]Cc2cnn(C)n2)C1 ZINC001164536559 833217414 /nfs/dbraw/zinc/21/74/14/833217414.db2.gz VBUVAPMPFOVRMM-CQSZACIVSA-N 1 3 324.429 -0.480 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001106244067 827645261 /nfs/dbraw/zinc/64/52/61/827645261.db2.gz FUZFWPROWXBFGK-CHWSQXEVSA-N 1 3 310.442 -0.099 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1ncc2c(n1)CCNC2 ZINC001165404503 833245513 /nfs/dbraw/zinc/24/55/13/833245513.db2.gz DWXZGTWSDGHCDK-LEWSCRJBSA-N 1 3 317.393 -0.148 20 0 DBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001166011214 833263071 /nfs/dbraw/zinc/26/30/71/833263071.db2.gz ZNKOCFJOURGXGV-WDEREUQCSA-N 1 3 315.418 -0.748 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001166627264 833276468 /nfs/dbraw/zinc/27/64/68/833276468.db2.gz UIXZTQIDVDZXBV-CYBMUJFWSA-N 1 3 311.430 -0.408 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)C1 ZINC001166668222 833277069 /nfs/dbraw/zinc/27/70/69/833277069.db2.gz VWGLGHKGKJSDBC-LBPRGKRZSA-N 1 3 305.444 -0.531 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001166677625 833277806 /nfs/dbraw/zinc/27/78/06/833277806.db2.gz KZCAOOKOALENLY-CABCVRRESA-N 1 3 323.441 -0.318 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C ZINC001166852946 833283847 /nfs/dbraw/zinc/28/38/47/833283847.db2.gz ZTMGUGOTDNWYKE-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)COCCOC)N(C)C ZINC001166865209 833283944 /nfs/dbraw/zinc/28/39/44/833283944.db2.gz CMQJEHLFDVMVDZ-KBPBESRZSA-N 1 3 319.446 -0.554 20 0 DBADHO COc1cc(NC(=N)NCCCC[NH3+])nc([S@](C)=O)n1 ZINC001167877426 833312465 /nfs/dbraw/zinc/31/24/65/833312465.db2.gz CTANELZMNXHBCQ-FQEVSTJZSA-N 1 3 300.388 -0.102 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001168764311 833328155 /nfs/dbraw/zinc/32/81/55/833328155.db2.gz YEVFTSODYWCALE-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC001117666729 829006003 /nfs/dbraw/zinc/00/60/03/829006003.db2.gz NBMURSUPJFJIRT-BTTYYORXSA-N 1 3 310.442 -0.147 20 0 DBADHO CC(C)[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N1CCN(C)CC1 ZINC001118277764 829061270 /nfs/dbraw/zinc/06/12/70/829061270.db2.gz MDZIEHXGUFMFEK-LSDHHAIUSA-N 1 3 313.490 -0.346 20 0 DBADHO COCCCN1CCC([NH2+]CC(=O)NCC(=O)OC)CC1 ZINC001172247287 833376778 /nfs/dbraw/zinc/37/67/78/833376778.db2.gz GFJBVSPNLLOTPR-UHFFFAOYSA-N 1 3 301.387 -0.634 20 0 DBADHO C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001119544069 829272553 /nfs/dbraw/zinc/27/25/53/829272553.db2.gz CCEXZZGCAGLFRM-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001176161993 833401695 /nfs/dbraw/zinc/40/16/95/833401695.db2.gz SMOSJIHHQWMLDC-CYBMUJFWSA-N 1 3 324.429 -0.621 20 0 DBADHO [NH3+]CCCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001120638087 829401164 /nfs/dbraw/zinc/40/11/64/829401164.db2.gz HEXHECVFZXEAAF-KGLIPLIRSA-N 1 3 314.430 -0.408 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001176986656 833444642 /nfs/dbraw/zinc/44/46/42/833444642.db2.gz RWXVSZHMTMCOTI-CQSZACIVSA-N 1 3 311.430 -0.320 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176986763 833445136 /nfs/dbraw/zinc/44/51/36/833445136.db2.gz VLVDMSGYTZXONR-LLVKDONJSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NCC(F)(F)F ZINC001124866865 829796957 /nfs/dbraw/zinc/79/69/57/829796957.db2.gz MJHBRMWFFMPGQK-NXEZZACHSA-N 1 3 324.347 -0.147 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001127081849 829982211 /nfs/dbraw/zinc/98/22/11/829982211.db2.gz DOINJGWSBLFVFF-MNOVXSKESA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001127081849 829982218 /nfs/dbraw/zinc/98/22/18/829982218.db2.gz DOINJGWSBLFVFF-MNOVXSKESA-N 1 3 313.402 -0.852 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC1 ZINC001127256788 829997284 /nfs/dbraw/zinc/99/72/84/829997284.db2.gz RUYJIRLZKARXTQ-ZIAGYGMSSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)N1CCC1 ZINC001127256788 829997288 /nfs/dbraw/zinc/99/72/88/829997288.db2.gz RUYJIRLZKARXTQ-ZIAGYGMSSA-N 1 3 308.426 -0.201 20 0 DBADHO CCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127466670 830013513 /nfs/dbraw/zinc/01/35/13/830013513.db2.gz ZNYKJVDDFLTQNW-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN1CC[C@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481268 830014583 /nfs/dbraw/zinc/01/45/83/830014583.db2.gz QSADFUXNARWDSD-KBPBESRZSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001127643557 830022404 /nfs/dbraw/zinc/02/24/04/830022404.db2.gz AKPJFQJDPANTMB-YRGRVCCFSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001127643557 830022409 /nfs/dbraw/zinc/02/24/09/830022409.db2.gz AKPJFQJDPANTMB-YRGRVCCFSA-N 1 3 310.442 -0.053 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC001127778808 830029329 /nfs/dbraw/zinc/02/93/29/830029329.db2.gz GGAGPMLNMJWGIW-ZIAGYGMSSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC001127778808 830029336 /nfs/dbraw/zinc/02/93/36/830029336.db2.gz GGAGPMLNMJWGIW-ZIAGYGMSSA-N 1 3 307.398 -0.511 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001128539233 830095370 /nfs/dbraw/zinc/09/53/70/830095370.db2.gz AYTDBWTZGMJSFZ-ZDUSSCGKSA-N 1 3 316.421 -0.006 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001128533704 830095483 /nfs/dbraw/zinc/09/54/83/830095483.db2.gz QJAGTTMRUJANDR-MNOVXSKESA-N 1 3 316.377 -0.823 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC ZINC001128773874 830129335 /nfs/dbraw/zinc/12/93/35/830129335.db2.gz HIZOSHLJPNDPJV-NSHDSACASA-N 1 3 313.402 -0.978 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCNCC(=O)NC(=O)NC ZINC001128773874 830129339 /nfs/dbraw/zinc/12/93/39/830129339.db2.gz HIZOSHLJPNDPJV-NSHDSACASA-N 1 3 313.402 -0.978 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001128783106 830130459 /nfs/dbraw/zinc/13/04/59/830130459.db2.gz FOBATEUZWAZWCP-NWDGAFQWSA-N 1 3 310.398 -0.628 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001128783106 830130465 /nfs/dbraw/zinc/13/04/65/830130465.db2.gz FOBATEUZWAZWCP-NWDGAFQWSA-N 1 3 310.398 -0.628 20 0 DBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)CCC1 ZINC001129356777 830175436 /nfs/dbraw/zinc/17/54/36/830175436.db2.gz HVLMBKDVHWSHMV-LBPRGKRZSA-N 1 3 306.414 -0.045 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001129418268 830179413 /nfs/dbraw/zinc/17/94/13/830179413.db2.gz TZALTSVJZZJPPL-LLVKDONJSA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001129418268 830179414 /nfs/dbraw/zinc/17/94/14/830179414.db2.gz TZALTSVJZZJPPL-LLVKDONJSA-N 1 3 313.402 -0.850 20 0 DBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NCc1ccco1)C1CC1 ZINC001129437218 830181718 /nfs/dbraw/zinc/18/17/18/830181718.db2.gz XXKMBIJURYMHKQ-HNNXBMFYSA-N 1 3 322.409 -0.058 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)C1CC1 ZINC001129444853 830182076 /nfs/dbraw/zinc/18/20/76/830182076.db2.gz ZJMSLSSOIBSYCQ-DOMZBBRYSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)C1CCC1 ZINC001129535587 830188778 /nfs/dbraw/zinc/18/87/78/830188778.db2.gz XMTWBVOBOLQPBK-CQSZACIVSA-N 1 3 309.414 -0.566 20 0 DBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129840400 830218073 /nfs/dbraw/zinc/21/80/73/830218073.db2.gz FYUTVVOEPFPJJZ-NEPJUHHUSA-N 1 3 310.398 -0.628 20 0 DBADHO C[N@H+]1CCC[C@@H]1CCC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129840400 830218083 /nfs/dbraw/zinc/21/80/83/830218083.db2.gz FYUTVVOEPFPJJZ-NEPJUHHUSA-N 1 3 310.398 -0.628 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1)N(C)C ZINC001130007647 830244676 /nfs/dbraw/zinc/24/46/76/830244676.db2.gz ORWCPURFIKEDOI-RDBSUJKOSA-N 1 3 324.429 -0.394 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130047426 830253126 /nfs/dbraw/zinc/25/31/26/830253126.db2.gz AKUNRZGYHFBNFM-MCIONIFRSA-N 1 3 324.429 -0.658 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001130203463 830281860 /nfs/dbraw/zinc/28/18/60/830281860.db2.gz MXXPKSRODNBORG-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001130419061 830320011 /nfs/dbraw/zinc/32/00/11/830320011.db2.gz JVJRJECDHINHIG-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)N1CCOCC1 ZINC001130419061 830320018 /nfs/dbraw/zinc/32/00/18/830320018.db2.gz JVJRJECDHINHIG-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCCNS(=O)(=O)CC ZINC001130427668 830320673 /nfs/dbraw/zinc/32/06/73/830320673.db2.gz QVZUXGXFTGROJY-UHFFFAOYSA-N 1 3 322.475 -0.638 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCCNS(=O)(=O)CC ZINC001130427668 830320682 /nfs/dbraw/zinc/32/06/82/830320682.db2.gz QVZUXGXFTGROJY-UHFFFAOYSA-N 1 3 322.475 -0.638 20 0 DBADHO CCNC(=O)CNCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130556788 830341510 /nfs/dbraw/zinc/34/15/10/830341510.db2.gz YEUDIFCHIVIAQR-UHFFFAOYSA-N 1 3 307.398 -0.250 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001130711391 830368413 /nfs/dbraw/zinc/36/84/13/830368413.db2.gz TVCGDXBNRGXAEL-OLZOCXBDSA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001130711391 830368421 /nfs/dbraw/zinc/36/84/21/830368421.db2.gz TVCGDXBNRGXAEL-OLZOCXBDSA-N 1 3 324.425 -0.382 20 0 DBADHO O=C(NCC[NH2+]C[C@@H]1CCCOC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519729 830478734 /nfs/dbraw/zinc/47/87/34/830478734.db2.gz JTAJJQIPBVUBNP-UJEKJILKSA-N 1 3 323.437 -0.018 20 0 DBADHO O=C(NCC[NH2+]CC[C@@H]1CCOC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519443 830479089 /nfs/dbraw/zinc/47/90/89/830479089.db2.gz FKQWZTHYJYGRCC-GJEMEMOUSA-N 1 3 323.437 -0.018 20 0 DBADHO O=C(NCC[NH2+]C[C@H]1CCCOC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519720 830479185 /nfs/dbraw/zinc/47/91/85/830479185.db2.gz JTAJJQIPBVUBNP-GJEMEMOUSA-N 1 3 323.437 -0.018 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001131521520 830479933 /nfs/dbraw/zinc/47/99/33/830479933.db2.gz AHLNTZCZGDNRHU-ISGSLZAZSA-N 1 3 324.425 -0.968 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001131521520 830479940 /nfs/dbraw/zinc/47/99/40/830479940.db2.gz AHLNTZCZGDNRHU-ISGSLZAZSA-N 1 3 324.425 -0.968 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520307 830480002 /nfs/dbraw/zinc/48/00/02/830480002.db2.gz XEEYOJQVPZTJNS-UYJPIKCFSA-N 1 3 324.425 -0.920 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520307 830480004 /nfs/dbraw/zinc/48/00/04/830480004.db2.gz XEEYOJQVPZTJNS-UYJPIKCFSA-N 1 3 324.425 -0.920 20 0 DBADHO CN1CC[C@@H](NCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131789980 830530512 /nfs/dbraw/zinc/53/05/12/830530512.db2.gz CJHOSHWHLQPFIT-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)(C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001132283877 830622857 /nfs/dbraw/zinc/62/28/57/830622857.db2.gz MWTUNJRPYGIWKG-LLVKDONJSA-N 1 3 310.398 -0.628 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133040094 830736270 /nfs/dbraw/zinc/73/62/70/830736270.db2.gz APUJJXPOHWCSAA-UHFFFAOYSA-N 1 3 312.336 -0.288 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040324 830736563 /nfs/dbraw/zinc/73/65/63/830736563.db2.gz LQIHKQITQMGPID-UHFFFAOYSA-N 1 3 302.419 -0.813 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001133040496 830737121 /nfs/dbraw/zinc/73/71/21/830737121.db2.gz TYSGXJFFWBEYMZ-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC[C@@H]1CCOC1 ZINC001133051537 830737249 /nfs/dbraw/zinc/73/72/49/830737249.db2.gz IFNLYYWAZPVMQH-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCCN1CCCS1(=O)=O ZINC001133040400 830737642 /nfs/dbraw/zinc/73/76/42/830737642.db2.gz PEZDEYRKKMLVEF-UHFFFAOYSA-N 1 3 320.459 -0.931 20 0 DBADHO C[C@H]1CN(C(=O)CNCCNC(=O)CCC[NH+](C)C)CCO1 ZINC001133051909 830737694 /nfs/dbraw/zinc/73/76/94/830737694.db2.gz UTPKJEMOHVXHFH-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC(=O)NC1CC1 ZINC001133294495 830763997 /nfs/dbraw/zinc/76/39/97/830763997.db2.gz KXLUYHBXPGHLPE-JTQLQIEISA-N 1 3 313.402 -0.979 20 0 DBADHO CC[C@@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001133688413 830810414 /nfs/dbraw/zinc/81/04/14/830810414.db2.gz WQIUBORLQZIDSE-NEPJUHHUSA-N 1 3 312.414 -0.382 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001133819741 830830465 /nfs/dbraw/zinc/83/04/65/830830465.db2.gz NCGDHWYKAFUOCF-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133823673 830832353 /nfs/dbraw/zinc/83/23/53/830832353.db2.gz LWHORUDARYERDI-CYBMUJFWSA-N 1 3 313.446 -0.116 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001133824161 830832464 /nfs/dbraw/zinc/83/24/64/830832464.db2.gz ZSINOROWHTZXHG-CHWSQXEVSA-N 1 3 306.414 -0.045 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834425 830834325 /nfs/dbraw/zinc/83/43/25/830834325.db2.gz XILCHODCJUYENF-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133834425 830834332 /nfs/dbraw/zinc/83/43/32/830834332.db2.gz XILCHODCJUYENF-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O ZINC001133834499 830834438 /nfs/dbraw/zinc/83/44/38/830834438.db2.gz ZFTLAKRFPMRBJA-LBPRGKRZSA-N 1 3 310.398 -0.675 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC001133845929 830837086 /nfs/dbraw/zinc/83/70/86/830837086.db2.gz QCSMQMWZXPQEBP-STQMWFEESA-N 1 3 306.414 -0.187 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)N(C)CC2CC2)C1 ZINC001133845320 830837874 /nfs/dbraw/zinc/83/78/74/830837874.db2.gz BCLSIBKCUSSNLT-CYBMUJFWSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N(C)CC2CC2)C1 ZINC001133845320 830837881 /nfs/dbraw/zinc/83/78/81/830837881.db2.gz BCLSIBKCUSSNLT-CYBMUJFWSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001133851053 830839795 /nfs/dbraw/zinc/83/97/95/830839795.db2.gz VUARXQOCIDWBML-LBPRGKRZSA-N 1 3 310.398 -0.817 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001133870970 830846616 /nfs/dbraw/zinc/84/66/16/830846616.db2.gz YBIJNAKPBRKPJY-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001133870970 830846624 /nfs/dbraw/zinc/84/66/24/830846624.db2.gz YBIJNAKPBRKPJY-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](COCC(=O)NCCNCC(=O)N(C)C)[NH+]1CCCC1 ZINC001134020510 830876365 /nfs/dbraw/zinc/87/63/65/830876365.db2.gz CPTZOMPEQXFQRK-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[C@H](NCCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(N)=O ZINC001134021100 830877421 /nfs/dbraw/zinc/87/74/21/830877421.db2.gz RFFRDVUOHNSCTJ-STQMWFEESA-N 1 3 314.430 -0.543 20 0 DBADHO C[C@@H](COCC(=O)NCCN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001134058602 830885055 /nfs/dbraw/zinc/88/50/55/830885055.db2.gz VLSYJIZJCYGXBP-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001134126461 830894754 /nfs/dbraw/zinc/89/47/54/830894754.db2.gz SHCJKBVJMFLQDH-YUELXQCFSA-N 1 3 318.421 -0.089 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001134126461 830894760 /nfs/dbraw/zinc/89/47/60/830894760.db2.gz SHCJKBVJMFLQDH-YUELXQCFSA-N 1 3 318.421 -0.089 20 0 DBADHO C[NH+](C)[C@H](C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1)C1CC1 ZINC001183268820 833711661 /nfs/dbraw/zinc/71/16/61/833711661.db2.gz YHDPEYMEPJZKSW-HIFRSBDPSA-N 1 3 308.426 -0.204 20 0 DBADHO CN1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001183646986 833725547 /nfs/dbraw/zinc/72/55/47/833725547.db2.gz AFZBZOQRGCCADF-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC001135511635 831080598 /nfs/dbraw/zinc/08/05/98/831080598.db2.gz WNDCXEHTPKLOGL-KGLIPLIRSA-N 1 3 319.446 -0.554 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001135513372 831080895 /nfs/dbraw/zinc/08/08/95/831080895.db2.gz NEHPAQBZRGGRBA-UHFFFAOYSA-N 1 3 322.475 -0.685 20 0 DBADHO C[NH+]1CCC(OCC(=O)NCCN[C@H]2CCCNC2=O)CC1 ZINC001135958738 831140469 /nfs/dbraw/zinc/14/04/69/831140469.db2.gz DTLKTJPCHNJJFR-ZDUSSCGKSA-N 1 3 312.414 -0.918 20 0 DBADHO CC[C@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135963379 831141847 /nfs/dbraw/zinc/14/18/47/831141847.db2.gz IJGUNWUQIVGPOE-LBPRGKRZSA-N 1 3 300.403 -0.933 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)CN(C)C(N)=[NH2+])C2 ZINC001144130901 831246802 /nfs/dbraw/zinc/24/68/02/831246802.db2.gz QSFYINYPKQZVND-UHFFFAOYSA-N 1 3 321.429 -0.040 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001146592337 831285330 /nfs/dbraw/zinc/28/53/30/831285330.db2.gz JUZUHPURJBFTNV-QWRGUYRKSA-N 1 3 315.418 -0.606 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001146719611 831293776 /nfs/dbraw/zinc/29/37/76/831293776.db2.gz RJNUEWYKCQGTFP-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC1CCOCC1 ZINC001146719611 831293784 /nfs/dbraw/zinc/29/37/84/831293784.db2.gz RJNUEWYKCQGTFP-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO CN(C)C(=O)CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333093 831363266 /nfs/dbraw/zinc/36/32/66/831363266.db2.gz ABLNCAUVTLWUFA-UHFFFAOYSA-N 1 3 310.442 -0.098 20 0 DBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2)N(C)C ZINC001147774171 831406756 /nfs/dbraw/zinc/40/67/56/831406756.db2.gz RXKPWUFQACNDDT-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2)N(C)C ZINC001147774171 831406760 /nfs/dbraw/zinc/40/67/60/831406760.db2.gz RXKPWUFQACNDDT-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)N1CCCCC1 ZINC001147842286 831411250 /nfs/dbraw/zinc/41/12/50/831411250.db2.gz POGQJFCPBINAIH-UHFFFAOYSA-N 1 3 314.430 -0.717 20 0 DBADHO CCC(C)(C)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842072 831411269 /nfs/dbraw/zinc/41/12/69/831411269.db2.gz LMDKWSPBFASZAH-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO CN(C)S(=O)(=O)N1CCC2(CN(CC3CC[NH2+]CC3)C2)C1 ZINC001276714398 833453514 /nfs/dbraw/zinc/45/35/14/833453514.db2.gz VOYHZCFARLFOBM-UHFFFAOYSA-N 1 3 316.471 -0.200 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001147877193 831414814 /nfs/dbraw/zinc/41/48/14/831414814.db2.gz GEKKOCBKPFQZDS-JTQLQIEISA-N 1 3 324.347 -0.288 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001147877193 831414818 /nfs/dbraw/zinc/41/48/18/831414818.db2.gz GEKKOCBKPFQZDS-JTQLQIEISA-N 1 3 324.347 -0.288 20 0 DBADHO CCC[C@H](C)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147893375 831415758 /nfs/dbraw/zinc/41/57/58/831415758.db2.gz OYXCIGJKFFADBZ-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NC[C@@H]1CCCO1 ZINC001147977127 831420615 /nfs/dbraw/zinc/42/06/15/831420615.db2.gz KBCZHHHXEHFEJX-ZDUSSCGKSA-N 1 3 324.425 -0.917 20 0 DBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NC1CCCC1 ZINC001147976908 831420686 /nfs/dbraw/zinc/42/06/86/831420686.db2.gz FCQLIOADAXUKKA-UHFFFAOYSA-N 1 3 308.426 -0.153 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC2(C1)CCN(CCOCCO)C2 ZINC001148174870 831433475 /nfs/dbraw/zinc/43/34/75/831433475.db2.gz ZDNSAXSAZCVYFO-UHFFFAOYSA-N 1 3 313.442 -0.129 20 0 DBADHO C[C@H](NCCNC(=O)CCCC[NH+](C)C)C(=O)NC(N)=O ZINC001148365641 831447647 /nfs/dbraw/zinc/44/76/47/831447647.db2.gz VBBFDFHVVQOPDR-JTQLQIEISA-N 1 3 301.391 -0.993 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001148570626 831462899 /nfs/dbraw/zinc/46/28/99/831462899.db2.gz IUBYGAOOIMOARD-UHFFFAOYSA-N 1 3 314.430 -0.717 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001148570626 831462902 /nfs/dbraw/zinc/46/29/02/831462902.db2.gz IUBYGAOOIMOARD-UHFFFAOYSA-N 1 3 314.430 -0.717 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCNCCNS(=O)(=O)CC ZINC001148578185 831464247 /nfs/dbraw/zinc/46/42/47/831464247.db2.gz PPYJWOQTRYSSQY-UHFFFAOYSA-N 1 3 322.475 -0.637 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCNCCNS(=O)(=O)CC ZINC001148578185 831464249 /nfs/dbraw/zinc/46/42/49/831464249.db2.gz PPYJWOQTRYSSQY-UHFFFAOYSA-N 1 3 322.475 -0.637 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001148642933 831467861 /nfs/dbraw/zinc/46/78/61/831467861.db2.gz QVZJFOCMYQILMU-LBPRGKRZSA-N 1 3 305.444 -0.531 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001148643224 831468234 /nfs/dbraw/zinc/46/82/34/831468234.db2.gz VGSZZDNYJBLQER-ZIAGYGMSSA-N 1 3 319.446 -0.554 20 0 DBADHO COC[C@H](O)C[N@@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148840050 831475674 /nfs/dbraw/zinc/47/56/74/831475674.db2.gz ZNDSCHCLPOWMQO-CQSZACIVSA-N 1 3 313.442 -0.132 20 0 DBADHO COC[C@H](O)C[N@H+]1CCC2(CN(C(=O)CN(C)C(C)C)C2)C1 ZINC001148840050 831475676 /nfs/dbraw/zinc/47/56/76/831475676.db2.gz 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/nfs/dbraw/zinc/58/32/29/831583229.db2.gz MUJUDTGNGQBDLO-CYBMUJFWSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001150193476 831597169 /nfs/dbraw/zinc/59/71/69/831597169.db2.gz OJNOHNYZSUFWIU-UONOGXRCSA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@H]2CN(CCCO)CCCO2)CC1 ZINC001150192375 831597364 /nfs/dbraw/zinc/59/73/64/831597364.db2.gz FUHNFNKYAAJVFI-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCCO1 ZINC001150481525 831622762 /nfs/dbraw/zinc/62/27/62/831622762.db2.gz YIMVOJQFTMZKHV-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001150481525 831622765 /nfs/dbraw/zinc/62/27/65/831622765.db2.gz YIMVOJQFTMZKHV-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCCO1 ZINC001150481528 831623328 /nfs/dbraw/zinc/62/33/28/831623328.db2.gz YIMVOJQFTMZKHV-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001150481528 831623332 /nfs/dbraw/zinc/62/33/32/831623332.db2.gz YIMVOJQFTMZKHV-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](O)CN1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590115 831631802 /nfs/dbraw/zinc/63/18/02/831631802.db2.gz ZACXOTJMCPJCKV-KGLIPLIRSA-N 1 3 317.430 -0.848 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001151049062 831659235 /nfs/dbraw/zinc/65/92/35/831659235.db2.gz IVMWDJNXVRCSLY-CQSZACIVSA-N 1 3 304.394 -0.057 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001151049062 831659236 /nfs/dbraw/zinc/65/92/36/831659236.db2.gz IVMWDJNXVRCSLY-CQSZACIVSA-N 1 3 304.394 -0.057 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001151048496 831659358 /nfs/dbraw/zinc/65/93/58/831659358.db2.gz BQEVKLSKMMAOPT-CQSZACIVSA-N 1 3 319.409 -0.645 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001151048496 831659361 /nfs/dbraw/zinc/65/93/61/831659361.db2.gz 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831659678 /nfs/dbraw/zinc/65/96/78/831659678.db2.gz LEARIUSMRSYPRM-HNNXBMFYSA-N 1 3 318.421 -0.040 20 0 DBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073882 831661750 /nfs/dbraw/zinc/66/17/50/831661750.db2.gz ROIYPXRPNMGLSC-OLZOCXBDSA-N 1 3 314.430 -0.815 20 0 DBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073882 831661752 /nfs/dbraw/zinc/66/17/52/831661752.db2.gz ROIYPXRPNMGLSC-OLZOCXBDSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(CC(F)(F)F)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151066465 831662465 /nfs/dbraw/zinc/66/24/65/831662465.db2.gz VAYQZFGBWMXGNL-JTQLQIEISA-N 1 3 324.347 -0.335 20 0 DBADHO CN(CC(F)(F)F)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066465 831662469 /nfs/dbraw/zinc/66/24/69/831662469.db2.gz VAYQZFGBWMXGNL-JTQLQIEISA-N 1 3 324.347 -0.335 20 0 DBADHO O=C(CCC[NH+]1CCCCC1)NCCN[C@@H]1CCC(=O)NC1=O ZINC001151361708 831680298 /nfs/dbraw/zinc/68/02/98/831680298.db2.gz OBBXYKVOAOCKDI-CYBMUJFWSA-N 1 3 324.425 -0.237 20 0 DBADHO CS(=O)(=O)NCCNCCNC(=O)CCC[NH+]1CCCC1 ZINC001152236818 831735671 /nfs/dbraw/zinc/73/56/71/831735671.db2.gz FHIFQPVHPMSOMF-UHFFFAOYSA-N 1 3 320.459 -0.883 20 0 DBADHO COC[C@H](C)OC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426758 831748785 /nfs/dbraw/zinc/74/87/85/831748785.db2.gz NSPLQZULJDFPNK-KBPBESRZSA-N 1 3 319.446 -0.555 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1 ZINC001152426961 831750410 /nfs/dbraw/zinc/75/04/10/831750410.db2.gz RRASQOUMULNSNB-CYBMUJFWSA-N 1 3 319.471 -0.143 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426979 831750558 /nfs/dbraw/zinc/75/05/58/831750558.db2.gz RYVDZQVHFKPJSX-ZDUSSCGKSA-N 1 3 305.419 -0.944 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001152427297 831750786 /nfs/dbraw/zinc/75/07/86/831750786.db2.gz VVZJYWLDZUIGKN-CYBMUJFWSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[N@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001154385734 831876055 /nfs/dbraw/zinc/87/60/55/831876055.db2.gz URDXEQILJGENKA-RXFTYZNJSA-N 1 3 311.426 -0.332 20 0 DBADHO CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001154385734 831876060 /nfs/dbraw/zinc/87/60/60/831876060.db2.gz URDXEQILJGENKA-RXFTYZNJSA-N 1 3 311.426 -0.332 20 0 DBADHO c1c2c(nnc1NCc1nnn3c1C[NH2+]CCC3)CCNC2 ZINC001155398570 831931676 /nfs/dbraw/zinc/93/16/76/831931676.db2.gz XESVSUBJXNEVTH-UHFFFAOYSA-N 1 3 300.370 -0.181 20 0 DBADHO CCOC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001157083554 832019773 /nfs/dbraw/zinc/01/97/73/832019773.db2.gz VNEQJTBUYDEWNW-FJJYHAOUSA-N 1 3 321.381 -0.778 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@H](OC)CCN1 ZINC001157344587 832036004 /nfs/dbraw/zinc/03/60/04/832036004.db2.gz PPJDTWWRMWZXGT-GRYCIOLGSA-N 1 3 300.403 -0.887 20 0 DBADHO COC(=O)N1CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157507159 832048138 /nfs/dbraw/zinc/04/81/38/832048138.db2.gz FECBRXBHUSBJJB-LBPRGKRZSA-N 1 3 310.398 -0.229 20 0 DBADHO COC(=O)N1CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157507159 832048146 /nfs/dbraw/zinc/04/81/46/832048146.db2.gz FECBRXBHUSBJJB-LBPRGKRZSA-N 1 3 310.398 -0.229 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001157717004 832058017 /nfs/dbraw/zinc/05/80/17/832058017.db2.gz WCBVDVZKYOGFKA-IJEWVQPXSA-N 1 3 311.426 -0.018 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001157721269 832058201 /nfs/dbraw/zinc/05/82/01/832058201.db2.gz WJTQHFYQXRWUHT-LBPRGKRZSA-N 1 3 313.398 -0.552 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157741101 832059756 /nfs/dbraw/zinc/05/97/56/832059756.db2.gz SQBZXXNDNRXMBW-GXFFZTMASA-N 1 3 303.382 -0.558 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157741102 832059827 /nfs/dbraw/zinc/05/98/27/832059827.db2.gz SQBZXXNDNRXMBW-MFKMUULPSA-N 1 3 303.382 -0.558 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157874221 832068427 /nfs/dbraw/zinc/06/84/27/832068427.db2.gz NLEMNINKBPIUTJ-SNVBAGLBSA-N 1 3 312.805 -0.155 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(c2nccnc2Cl)CC1 ZINC001157874220 832068787 /nfs/dbraw/zinc/06/87/87/832068787.db2.gz NLEMNINKBPIUTJ-JTQLQIEISA-N 1 3 312.805 -0.155 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157877706 832069459 /nfs/dbraw/zinc/06/94/59/832069459.db2.gz OIWXBSROBZFSTN-VGMNWLOBSA-N 1 3 315.361 -0.365 20 0 DBADHO O=C(c1cc2c(s1)CNCC2)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158111259 832091131 /nfs/dbraw/zinc/09/11/31/832091131.db2.gz MMBLGMNKMNECFL-HNNXBMFYSA-N 1 3 320.418 -0.302 20 0 DBADHO Cn1nncc1CNCCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001158197011 832098348 /nfs/dbraw/zinc/09/83/48/832098348.db2.gz QLZLMVIGCAQTTH-CQSZACIVSA-N 1 3 306.414 -0.247 20 0 DBADHO NC(C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1)C(F)(F)F ZINC001158277081 832102940 /nfs/dbraw/zinc/10/29/40/832102940.db2.gz HSUKRCORIZODIU-SECBINFHSA-N 1 3 318.303 -0.411 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158576621 832122411 /nfs/dbraw/zinc/12/24/11/832122411.db2.gz CICOGZNWRCJGOK-NAKRPEOUSA-N 1 3 300.378 -0.626 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158568683 832122553 /nfs/dbraw/zinc/12/25/53/832122553.db2.gz QSOPCGYFFKYRJI-GARJFASQSA-N 1 3 315.393 -0.702 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158569088 832122595 /nfs/dbraw/zinc/12/25/95/832122595.db2.gz VQAXCWJXYBDFQZ-VWYCJHECSA-N 1 3 301.362 -0.198 20 0 DBADHO CCn1nnc2c1[C@@H](COC)CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001158791044 832136436 /nfs/dbraw/zinc/13/64/36/832136436.db2.gz SHXRFGSAAIHINV-GHMZBOCLSA-N 1 3 310.402 -0.564 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001158855924 832142018 /nfs/dbraw/zinc/14/20/18/832142018.db2.gz LTUWZQJYEGRBPL-STQMWFEESA-N 1 3 320.441 -0.319 20 0 DBADHO CC(C)N(C)Cc1[nH]nc2c1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1N)C2 ZINC001158855924 832142021 /nfs/dbraw/zinc/14/20/21/832142021.db2.gz LTUWZQJYEGRBPL-STQMWFEESA-N 1 3 320.441 -0.319 20 0 DBADHO NC[C@H](N)C(=O)N(c1ncccc1F)[C@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904925 832142799 /nfs/dbraw/zinc/14/27/99/832142799.db2.gz UZNRNCFZTYXUIP-GMXABZIVSA-N 1 3 323.372 -0.639 20 0 DBADHO Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CCC[NH3+])cn1 ZINC001159083816 832154592 /nfs/dbraw/zinc/15/45/92/832154592.db2.gz ADOULSYTVLTWQN-RWMBFGLXSA-N 1 3 320.397 -0.808 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+][C@@H]1CCNC1=O ZINC001159155076 832160034 /nfs/dbraw/zinc/16/00/34/832160034.db2.gz ICXCVXMCJJFVKZ-VXGBXAGGSA-N 1 3 302.394 -0.349 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001159154704 832160145 /nfs/dbraw/zinc/16/01/45/832160145.db2.gz BIZBEQCJTSVVQG-LBPRGKRZSA-N 1 3 304.410 -0.150 20 0 DBADHO CN(C)CCN1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001269248783 832398112 /nfs/dbraw/zinc/39/81/12/832398112.db2.gz RACOWXBLYARZFN-YOEHRIQHSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1CC[C@@]2(CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001269248783 832398120 /nfs/dbraw/zinc/39/81/20/832398120.db2.gz RACOWXBLYARZFN-YOEHRIQHSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)CC3)[C@@H]2C1 ZINC001270702569 832567588 /nfs/dbraw/zinc/56/75/88/832567588.db2.gz PUQWOQAXPINCAE-JKSUJKDBSA-N 1 3 323.485 -0.672 20 0 DBADHO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCN(C)CC3)[C@@H]2C1 ZINC001270702569 832567590 /nfs/dbraw/zinc/56/75/90/832567590.db2.gz PUQWOQAXPINCAE-JKSUJKDBSA-N 1 3 323.485 -0.672 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001186824872 833879203 /nfs/dbraw/zinc/87/92/03/833879203.db2.gz PBWRGDBLDDEMRL-NEPJUHHUSA-N 1 3 310.398 -0.676 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001186824872 833879211 /nfs/dbraw/zinc/87/92/11/833879211.db2.gz PBWRGDBLDDEMRL-NEPJUHHUSA-N 1 3 310.398 -0.676 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2 ZINC001271537690 832679105 /nfs/dbraw/zinc/67/91/05/832679105.db2.gz FNMOQJSIZMRHCR-GASCZTMLSA-N 1 3 312.458 -0.199 20 0 DBADHO C[C@H](C(=O)N(CCO)CC[NH2+]CCO)N1CCCCCC1 ZINC001272271709 832764709 /nfs/dbraw/zinc/76/47/09/832764709.db2.gz LQYDHAIFUQJESW-CQSZACIVSA-N 1 3 301.431 -0.346 20 0 DBADHO CCN1CC[C@@]2(CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C[C@@H]2C)C1=O ZINC001159318037 832805300 /nfs/dbraw/zinc/80/53/00/832805300.db2.gz IMVVRHHOMOZEAZ-AHIWAGSCSA-N 1 3 320.437 -0.488 20 0 DBADHO C[C@@H](N)C(=O)N(C[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)c1ncccn1 ZINC001159402620 832812928 /nfs/dbraw/zinc/81/29/28/832812928.db2.gz IGMYCKPLAQSRIP-MROQNXINSA-N 1 3 305.382 -0.219 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@H+](CCN3CCOCC3)C2)C1=O ZINC001272660755 832817148 /nfs/dbraw/zinc/81/71/48/832817148.db2.gz GZRAKOFRMXLJEQ-KRWDZBQOSA-N 1 3 324.469 -0.195 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@@H+](CCN3CCOCC3)C2)C1=O ZINC001272660755 832817160 /nfs/dbraw/zinc/81/71/60/832817160.db2.gz GZRAKOFRMXLJEQ-KRWDZBQOSA-N 1 3 324.469 -0.195 20 0 DBADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@H](N)CCC[NH3+])C3)n1 ZINC001159472381 832818710 /nfs/dbraw/zinc/81/87/10/832818710.db2.gz TUVYUYPLASEMCW-JTNHKYCSSA-N 1 3 309.370 -0.829 20 0 DBADHO CC[C@H]1N(C(=O)[C@H]2C[NH2+]CC23CNC3)CCC[C@]12CCC(=O)N2 ZINC001159586316 832826141 /nfs/dbraw/zinc/82/61/41/832826141.db2.gz YOHDHSZXDYTADR-XNJGSVPQSA-N 1 3 320.437 -0.155 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159598743 832828368 /nfs/dbraw/zinc/82/83/68/832828368.db2.gz BZLIIDTUZCGUMX-XJFOESAGSA-N 1 3 324.425 -0.805 20 0 DBADHO N[C@@H](CCC[NH3+])Nc1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001159786492 832845193 /nfs/dbraw/zinc/84/51/93/832845193.db2.gz BLMVNKIEJCEICS-GFCCVEGCSA-N 1 3 307.402 -0.648 20 0 DBADHO C[C@@H]([NH2+]CCCNC(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001159860709 832852986 /nfs/dbraw/zinc/85/29/86/832852986.db2.gz CKMZNZAQGZGSGX-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001159925507 832859821 /nfs/dbraw/zinc/85/98/21/832859821.db2.gz RPOCBPSHVIBIEK-YPMHNXCESA-N 1 3 310.398 -0.772 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001159931223 832860232 /nfs/dbraw/zinc/86/02/32/832860232.db2.gz BDFRNMULTIYKJG-OAHLLOKOSA-N 1 3 324.425 -0.429 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)C1CC1 ZINC001159932626 832861172 /nfs/dbraw/zinc/86/11/72/832861172.db2.gz TUZVAFAFJVUZRJ-LSDHHAIUSA-N 1 3 323.441 -0.320 20 0 DBADHO CN(CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O)C1CCC1 ZINC001160003474 832863722 /nfs/dbraw/zinc/86/37/22/832863722.db2.gz PZECBCLZXCFGGB-UHFFFAOYSA-N 1 3 324.425 -0.284 20 0 DBADHO CC(C)CC(=O)NC1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160498407 832910842 /nfs/dbraw/zinc/91/08/42/832910842.db2.gz KFJNZYSESIHWBV-CQSZACIVSA-N 1 3 322.453 -0.051 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001160506957 832912589 /nfs/dbraw/zinc/91/25/89/832912589.db2.gz SKXZTQJOKDPSLT-CHWSQXEVSA-N 1 3 312.414 -0.708 20 0 DBADHO N=c1nc([C@@H]2CCC[NH2+]2)ccn1C(=O)[C@H](N)Cc1cnc[nH]1 ZINC001160539431 832915414 /nfs/dbraw/zinc/91/54/14/832915414.db2.gz SOKHSHUTPITNFO-MNOVXSKESA-N 1 3 301.354 -0.280 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+])C1COC1 ZINC001160541438 832915435 /nfs/dbraw/zinc/91/54/35/832915435.db2.gz BWOGGMUTTOAGBQ-STQMWFEESA-N 1 3 312.414 -0.709 20 0 DBADHO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160564944 832917102 /nfs/dbraw/zinc/91/71/02/832917102.db2.gz SPWRDLXJKRXAGJ-LLVKDONJSA-N 1 3 301.350 -0.438 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC(c2ncccn2)CC1 ZINC001160589396 832922498 /nfs/dbraw/zinc/92/24/98/832922498.db2.gz RAJGBJQZQOSBRS-ZDUSSCGKSA-N 1 3 301.394 -0.008 20 0 DBADHO N[C@H](C(=O)N1CCN(C2CCOCC2)C(=O)C1)C1CC[NH2+]CC1 ZINC001160636524 832926622 /nfs/dbraw/zinc/92/66/22/832926622.db2.gz HXRVTVQVFDSROY-HNNXBMFYSA-N 1 3 324.425 -0.837 20 0 DBADHO N[C@]1(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)CCc2cc(F)ccc2C1 ZINC001160656525 832931206 /nfs/dbraw/zinc/93/12/06/832931206.db2.gz YIPPPFPWFCXTBZ-IIAWOOMASA-N 1 3 307.369 -0.068 20 0 DBADHO CC1(C)CN(C2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C2)CCO1 ZINC001160663596 832932126 /nfs/dbraw/zinc/93/21/26/832932126.db2.gz RTSIDYPBTXISDR-CXAGYDPISA-N 1 3 322.453 -0.493 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCO[C@H](C(N)=O)C1 ZINC001160704537 832935288 /nfs/dbraw/zinc/93/52/88/832935288.db2.gz LNIVCEOHIKJTAB-RYUDHWBXSA-N 1 3 300.403 -0.805 20 0 DBADHO CN(C[C@H]1CCC[NH2+]C1)C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001160696353 832935463 /nfs/dbraw/zinc/93/54/63/832935463.db2.gz VGCNVPMRTDHDNT-RYUDHWBXSA-N 1 3 315.439 -0.779 20 0 DBADHO Cn1cnnc1C1CCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)CC1 ZINC001160705832 832936370 /nfs/dbraw/zinc/93/63/70/832936370.db2.gz SQKAEIAWIRJOJO-ZDUSSCGKSA-N 1 3 306.414 -0.152 20 0 DBADHO CCNC(=O)CO[C@@H]1CCCN(C(=O)[C@@H](N)CCCC[NH3+])C1 ZINC001160746647 832939488 /nfs/dbraw/zinc/93/94/88/832939488.db2.gz MEWZJJPWJBKYCH-OLZOCXBDSA-N 1 3 314.430 -0.414 20 0 DBADHO CN1CCNC[C@H]1C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160782034 832942974 /nfs/dbraw/zinc/94/29/74/832942974.db2.gz YVOWXPBKLRTFTQ-RYRKJORJSA-N 1 3 314.433 -0.110 20 0 DBADHO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160788782 832943720 /nfs/dbraw/zinc/94/37/20/832943720.db2.gz UDYGWYVMJYNPOC-GWCFXTLKSA-N 1 3 323.397 -0.145 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790018 832944048 /nfs/dbraw/zinc/94/40/48/832944048.db2.gz IHNCJVPTRFWLAL-OLZOCXBDSA-N 1 3 312.414 -0.885 20 0 DBADHO CCC[C@H](N)C(=O)N1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001160791944 832944054 /nfs/dbraw/zinc/94/40/54/832944054.db2.gz JBPHUHCAMGXVSZ-CRQFQMBKSA-N 1 3 309.410 -0.029 20 0 DBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001160837612 832948598 /nfs/dbraw/zinc/94/85/98/832948598.db2.gz CJFNGFLYPILBRV-ARFHVFGLSA-N 1 3 324.469 -0.151 20 0 DBADHO COC(=O)C[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001160832669 832948669 /nfs/dbraw/zinc/94/86/69/832948669.db2.gz MFFGMRGMPZHNTN-XJKCOSOUSA-N 1 3 309.410 -0.013 20 0 DBADHO C[NH+](C)C[C@@H]1COCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC001160838411 832949113 /nfs/dbraw/zinc/94/91/13/832949113.db2.gz IKZKJRKIKVTTRN-OLZOCXBDSA-N 1 3 312.414 -0.885 20 0 DBADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CCN1C ZINC001160870868 832954780 /nfs/dbraw/zinc/95/47/80/832954780.db2.gz OHMDKMNXBIMNDW-QWHCGFSZSA-N 1 3 324.425 -0.824 20 0 DBADHO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CCN1C ZINC001160870868 832954782 /nfs/dbraw/zinc/95/47/82/832954782.db2.gz OHMDKMNXBIMNDW-QWHCGFSZSA-N 1 3 324.425 -0.824 20 0 DBADHO CCOC(=O)[C@H]1[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C[C@@H]21 ZINC001160883324 832956864 /nfs/dbraw/zinc/95/68/64/832956864.db2.gz IZYRVTDPMUJJBB-XRMRDTNMSA-N 1 3 307.394 -0.547 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]CCOCCNC(C)=O)N(C)C ZINC001160883376 832957403 /nfs/dbraw/zinc/95/74/03/832957403.db2.gz LGCDNBJKERYWJA-CQSZACIVSA-N 1 3 316.446 -0.425 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001273775433 832963988 /nfs/dbraw/zinc/96/39/88/832963988.db2.gz YZLBJWTVEMJPRV-GDBMZVCRSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@@H]3COCCO3)C2)C1=O ZINC001273775433 832963990 /nfs/dbraw/zinc/96/39/90/832963990.db2.gz YZLBJWTVEMJPRV-GDBMZVCRSA-N 1 3 311.426 -0.112 20 0 DBADHO C[NH+](C)CCN1CC[C@]2(CCN(CC(=O)NC3CC3)C2)C1=O ZINC001273829787 832970143 /nfs/dbraw/zinc/97/01/43/832970143.db2.gz NKOOROGNCSQAAA-INIZCTEOSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C(=O)[C@H]1CCS(=O)(=O)C12CNC2)C1(C)CC[NH2+]CC1 ZINC001161066524 832971585 /nfs/dbraw/zinc/97/15/85/832971585.db2.gz AJPXLMUDERUPLP-LLVKDONJSA-N 1 3 315.439 -0.636 20 0 DBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]21 ZINC001161082900 832973799 /nfs/dbraw/zinc/97/37/99/832973799.db2.gz QJSUOTSCVPGZNT-MELADBBJSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CCC[C@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]21 ZINC001161082900 832973805 /nfs/dbraw/zinc/97/38/05/832973805.db2.gz QJSUOTSCVPGZNT-MELADBBJSA-N 1 3 308.426 -0.121 20 0 DBADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161131616 832980741 /nfs/dbraw/zinc/98/07/41/832980741.db2.gz RFEWHZVTXNLWTG-RYUDHWBXSA-N 1 3 302.444 -0.525 20 0 DBADHO CC(=O)N1CCC[C@H](N(C)C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001161128855 832981315 /nfs/dbraw/zinc/98/13/15/832981315.db2.gz BGVKTWGYIVMOLZ-IJEWVQPXSA-N 1 3 308.426 -0.345 20 0 DBADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001161174634 832988237 /nfs/dbraw/zinc/98/82/37/832988237.db2.gz BIWXRFJNNVJBBV-HZSPNIEDSA-N 1 3 308.426 -0.883 20 0 DBADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001161174634 832988240 /nfs/dbraw/zinc/98/82/40/832988240.db2.gz BIWXRFJNNVJBBV-HZSPNIEDSA-N 1 3 308.426 -0.883 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C)N(C)C ZINC001178990029 833532839 /nfs/dbraw/zinc/53/28/39/833532839.db2.gz FTKQUWVVNGEURM-XDQVBPFNSA-N 1 3 301.431 -0.087 20 0 DBADHO CCNC(=O)CN[C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179933883 833563911 /nfs/dbraw/zinc/56/39/11/833563911.db2.gz NFCSZPKUGPHGGQ-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C ZINC001179982957 833565242 /nfs/dbraw/zinc/56/52/42/833565242.db2.gz ISSXEOBVKGGRJW-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180124179 833569808 /nfs/dbraw/zinc/56/98/08/833569808.db2.gz FZHZNLXCPDXXGY-OBJOEFQTSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180124179 833569809 /nfs/dbraw/zinc/56/98/09/833569809.db2.gz FZHZNLXCPDXXGY-OBJOEFQTSA-N 1 3 308.426 -0.204 20 0 DBADHO NC(=O)C1CC[NH+](CCC(=O)N2CCN3CCC2CC3)CC1 ZINC001180610019 833594733 /nfs/dbraw/zinc/59/47/33/833594733.db2.gz CYDDWERJRMBXLF-UHFFFAOYSA-N 1 3 308.426 -0.120 20 0 DBADHO CN1CCC(O)(C(=O)N2CCO[C@H](C[NH+]3CCCC3)C2)CC1 ZINC001182032579 833652167 /nfs/dbraw/zinc/65/21/67/833652167.db2.gz IFJOYDFRSVZGQM-CQSZACIVSA-N 1 3 311.426 -0.234 20 0 DBADHO CN1CCC(O)(C(=O)n2c(=N)sc3c2CC[C@H]([NH3+])C3)CC1 ZINC001182033664 833652367 /nfs/dbraw/zinc/65/23/67/833652367.db2.gz OPKDXAMUWZVGBZ-VIFPVBQESA-N 1 3 310.423 -0.058 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001182676982 833686554 /nfs/dbraw/zinc/68/65/54/833686554.db2.gz UXNUJSITCZKZCO-JHJVBQTASA-N 1 3 317.455 -0.438 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001182676982 833686557 /nfs/dbraw/zinc/68/65/57/833686557.db2.gz UXNUJSITCZKZCO-JHJVBQTASA-N 1 3 317.455 -0.438 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001182692463 833686935 /nfs/dbraw/zinc/68/69/35/833686935.db2.gz KUOCKEZXOOPZIL-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001182692463 833686937 /nfs/dbraw/zinc/68/69/37/833686937.db2.gz KUOCKEZXOOPZIL-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[NH+](C)[C@@H](C(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1)C1CC1 ZINC001183268822 833712017 /nfs/dbraw/zinc/71/20/17/833712017.db2.gz YHDPEYMEPJZKSW-UKRRQHHQSA-N 1 3 308.426 -0.204 20 0 DBADHO CNC(=O)CN[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001183577017 833723441 /nfs/dbraw/zinc/72/34/41/833723441.db2.gz UWLMHIPYTXXOSN-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)N(C)C ZINC001183590782 833724397 /nfs/dbraw/zinc/72/43/97/833724397.db2.gz DNOOKEXVQZBMAE-RBSFLKMASA-N 1 3 323.441 -0.225 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C1)C(N)=O ZINC001183816115 833737249 /nfs/dbraw/zinc/73/72/49/833737249.db2.gz BEKXKNXIORYDPK-QWHCGFSZSA-N 1 3 319.409 -0.028 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001184876854 833773917 /nfs/dbraw/zinc/77/39/17/833773917.db2.gz OGJSRMKNVXFJKM-QLFBSQMISA-N 1 3 321.425 -0.471 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC001185230453 833784142 /nfs/dbraw/zinc/78/41/42/833784142.db2.gz TWTIYKNFHFNOBY-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCC(=O)N3CCC3)C2)CC1 ZINC001185222431 833784190 /nfs/dbraw/zinc/78/41/90/833784190.db2.gz VOFCJWFWWZUZTH-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185445939 833794955 /nfs/dbraw/zinc/79/49/55/833794955.db2.gz GNJORQMVOYUWIC-HZSPNIEDSA-N 1 3 301.431 -0.230 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187114991 833902478 /nfs/dbraw/zinc/90/24/78/833902478.db2.gz FCFCYUBSFBFDGC-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121823 833904040 /nfs/dbraw/zinc/90/40/40/833904040.db2.gz MSFOHNPUYMGVPZ-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001187299187 833915649 /nfs/dbraw/zinc/91/56/49/833915649.db2.gz VLVBHTRDUINCOE-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001187299187 833915659 /nfs/dbraw/zinc/91/56/59/833915659.db2.gz VLVBHTRDUINCOE-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187826404 833951269 /nfs/dbraw/zinc/95/12/69/833951269.db2.gz ZKHIGAPWNTULFI-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187826404 833951270 /nfs/dbraw/zinc/95/12/70/833951270.db2.gz ZKHIGAPWNTULFI-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187818892 833951588 /nfs/dbraw/zinc/95/15/88/833951588.db2.gz SVDAXICKJGESRK-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187818892 833951594 /nfs/dbraw/zinc/95/15/94/833951594.db2.gz SVDAXICKJGESRK-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCN(C(=O)CN2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)CC1 ZINC001277632641 833978212 /nfs/dbraw/zinc/97/82/12/833978212.db2.gz YWPOKRMCGHXZQA-HOTGVXAUSA-N 1 3 323.485 -0.529 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CCCN1C)[NH2+]CCNS(C)(=O)=O ZINC001277772406 833989998 /nfs/dbraw/zinc/98/99/98/833989998.db2.gz XGEZPAZMBBSROP-VXGBXAGGSA-N 1 3 320.459 -0.934 20 0 DBADHO C[C@H]1Cc2nnc(C(N)=O)n2CCN1CC1CC[NH+](C)CC1 ZINC001277798268 833990989 /nfs/dbraw/zinc/99/09/89/833990989.db2.gz HUORRLDRPCVZOF-NSHDSACASA-N 1 3 306.414 -0.035 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001189660817 834103950 /nfs/dbraw/zinc/10/39/50/834103950.db2.gz YEOMDSJCGCTWSX-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001189660817 834103961 /nfs/dbraw/zinc/10/39/61/834103961.db2.gz YEOMDSJCGCTWSX-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001190363552 834154807 /nfs/dbraw/zinc/15/48/07/834154807.db2.gz QSXFHNANZRKQHX-BFHYXJOUSA-N 1 3 308.426 -0.252 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001190363552 834154810 /nfs/dbraw/zinc/15/48/10/834154810.db2.gz QSXFHNANZRKQHX-BFHYXJOUSA-N 1 3 308.426 -0.252 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001190901313 834203344 /nfs/dbraw/zinc/20/33/44/834203344.db2.gz XLFKWUSCFXENOB-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001190901313 834203348 /nfs/dbraw/zinc/20/33/48/834203348.db2.gz XLFKWUSCFXENOB-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO Cn1cc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)cn1 ZINC001238240298 834350587 /nfs/dbraw/zinc/35/05/87/834350587.db2.gz GFTUBJMMZKEPLA-NSHDSACASA-N 1 3 313.427 -0.427 20 0 DBADHO O=S(=O)(NC[C@@H]1CCC2(CCNCC2)[NH2+]1)C1CCOCC1 ZINC001238243208 834350729 /nfs/dbraw/zinc/35/07/29/834350729.db2.gz SLOVBKLDSNICTJ-LBPRGKRZSA-N 1 3 317.455 -0.041 20 0 DBADHO O=S(=O)(NC[C@@H]1CCC2(CC[NH2+]CC2)N1)C1CCOCC1 ZINC001238243208 834350736 /nfs/dbraw/zinc/35/07/36/834350736.db2.gz SLOVBKLDSNICTJ-LBPRGKRZSA-N 1 3 317.455 -0.041 20 0 DBADHO O=S(=O)(C[C@H]1CCCO1)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239182 834350809 /nfs/dbraw/zinc/35/08/09/834350809.db2.gz CCYQQHKPLWKRDP-QWHCGFSZSA-N 1 3 317.455 -0.041 20 0 DBADHO O=S(=O)(C[C@H]1CCCO1)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238239182 834350815 /nfs/dbraw/zinc/35/08/15/834350815.db2.gz CCYQQHKPLWKRDP-QWHCGFSZSA-N 1 3 317.455 -0.041 20 0 DBADHO Cn1ccc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001238241006 834350835 /nfs/dbraw/zinc/35/08/35/834350835.db2.gz IBBOHNBBXGRUQQ-LLVKDONJSA-N 1 3 313.427 -0.427 20 0 DBADHO O=S(=O)(CC1CC[NH2+]CC1)NC1C[C@@H]2COC[C@H](C1)N2 ZINC001238290447 834351016 /nfs/dbraw/zinc/35/10/16/834351016.db2.gz XUEBEWZEFWOXEE-YHWZYXNKSA-N 1 3 303.428 -0.575 20 0 DBADHO O=S(=O)(CC1CC[NH2+]CC1)N1CCC2(CC1)CNCCO2 ZINC001238998453 834376346 /nfs/dbraw/zinc/37/63/46/834376346.db2.gz AYXAKHLYZATUNK-UHFFFAOYSA-N 1 3 317.455 -0.230 20 0 DBADHO O=S(=O)(C1CC[NH2+]CC1)N1CCNC[C@@]2(CCCCN2)C1 ZINC001239015619 834377141 /nfs/dbraw/zinc/37/71/41/834377141.db2.gz DKXJSMSBEJPKJD-AWEZNQCLSA-N 1 3 316.471 -0.514 20 0 DBADHO CC[N@H+]([C@@H]1CCOC1)C1CCN(S(=O)(=O)CCN)CC1 ZINC001239097085 834383489 /nfs/dbraw/zinc/38/34/89/834383489.db2.gz KEIRUBBBOHLBLZ-CYBMUJFWSA-N 1 3 305.444 -0.150 20 0 DBADHO CC[N@@H+]([C@@H]1CCOC1)C1CCN(S(=O)(=O)CCN)CC1 ZINC001239097085 834383497 /nfs/dbraw/zinc/38/34/97/834383497.db2.gz KEIRUBBBOHLBLZ-CYBMUJFWSA-N 1 3 305.444 -0.150 20 0 DBADHO CCOC(=O)C1CCC(O)(C[N@@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246023971 834411027 /nfs/dbraw/zinc/41/10/27/834411027.db2.gz SYXHETVHAIKQHI-SBEAFCBVSA-N 1 3 300.399 -0.278 20 0 DBADHO CCOC(=O)C1CCC(O)(C[N@H+]2C[C@@H](O)[C@@H](CN)C2)CC1 ZINC001246023971 834411031 /nfs/dbraw/zinc/41/10/31/834411031.db2.gz SYXHETVHAIKQHI-SBEAFCBVSA-N 1 3 300.399 -0.278 20 0 DBADHO [NH3+][C@@H](Cc1ccccc1)[C@H](O)CN1CC[C@H]2COC[C@@H](C1)N2 ZINC001246048568 834412971 /nfs/dbraw/zinc/41/29/71/834412971.db2.gz YXGAUIURGHCLBL-VVLHAWIVSA-N 1 3 305.422 -0.020 20 0 DBADHO O[C@@H](CN1CCNC[C@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246059969 834414603 /nfs/dbraw/zinc/41/46/03/834414603.db2.gz RNCDQJRFZGRUQM-MNOVXSKESA-N 1 3 311.348 -0.312 20 0 DBADHO CS(=O)(=O)c1ccc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246120637 834418026 /nfs/dbraw/zinc/41/80/26/834418026.db2.gz ORFAXEZBJSXGQC-LLVKDONJSA-N 1 3 310.423 -0.331 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H](NC2CN(C3CC[NH2+]CC3)C2)CCN1 ZINC001246215556 834424372 /nfs/dbraw/zinc/42/43/72/834424372.db2.gz QLAMJPOQLAMPGT-DOMZBBRYSA-N 1 3 310.442 -0.304 20 0 DBADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H](NCCOCCOCC[NH3+])CN1 ZINC001246283844 834427597 /nfs/dbraw/zinc/42/75/97/834427597.db2.gz JXEIPWVOTMKOKA-OLZOCXBDSA-N 1 3 317.430 -0.360 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H](N[C@@H](CCCC[NH3+])C(=O)NC)CCN1 ZINC001246514093 834439095 /nfs/dbraw/zinc/43/90/95/834439095.db2.gz YZGRJICLAKLADU-AGIUHOORSA-N 1 3 314.430 -0.497 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246631033 834444776 /nfs/dbraw/zinc/44/47/76/834444776.db2.gz NXLZHDARYLPSTF-CBBWQLFWSA-N 1 3 311.426 -0.020 20 0 DBADHO COC(=O)C1C[C@@H]2CC(N3C[C@H]4CNC[C@@H](C3)O4)C[C@H](C1)[NH2+]2 ZINC001246676146 834446764 /nfs/dbraw/zinc/44/67/64/834446764.db2.gz CPCXGFUGRVIRND-DZYJXTRQSA-N 1 3 309.410 -0.269 20 0 DBADHO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)CCN1 ZINC001246684698 834448504 /nfs/dbraw/zinc/44/85/04/834448504.db2.gz NSHPDJBGGNFGET-JHZZJYKESA-N 1 3 309.410 -0.267 20 0 DBADHO COC(=O)[C@@H]1C[C@@H]([N@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)CCN1 ZINC001246684698 834448505 /nfs/dbraw/zinc/44/85/05/834448505.db2.gz NSHPDJBGGNFGET-JHZZJYKESA-N 1 3 309.410 -0.267 20 0 DBADHO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)CCN1 ZINC001246684696 834448525 /nfs/dbraw/zinc/44/85/25/834448525.db2.gz NSHPDJBGGNFGET-AQDIXCGQSA-N 1 3 309.410 -0.267 20 0 DBADHO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@]34CNC[C@@H](C[C@@H]3C2)O4)CCN1 ZINC001246684696 834448528 /nfs/dbraw/zinc/44/85/28/834448528.db2.gz NSHPDJBGGNFGET-AQDIXCGQSA-N 1 3 309.410 -0.267 20 0 DBADHO Nc1cccnc1N1CCN([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246854935 834458349 /nfs/dbraw/zinc/45/83/49/834458349.db2.gz IERPZWSWRWKMMG-ZDUSSCGKSA-N 1 3 302.426 -0.120 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246869666 834459883 /nfs/dbraw/zinc/45/98/83/834459883.db2.gz HBKHVIUEPNVCHF-ILXRZTDVSA-N 1 3 310.442 -0.365 20 0 DBADHO COC(=O)[C@@H]1CC[C@H](N2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246887946 834461332 /nfs/dbraw/zinc/46/13/32/834461332.db2.gz RDGNVLYZYHYXOI-GJZGRUSLSA-N 1 3 310.442 -0.350 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H](N2CCC(N3CC[NH2+]CC3)CC2)CN1 ZINC001246887945 834461735 /nfs/dbraw/zinc/46/17/35/834461735.db2.gz RDGNVLYZYHYXOI-CABCVRRESA-N 1 3 310.442 -0.350 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CN1 ZINC001246979237 834465213 /nfs/dbraw/zinc/46/52/13/834465213.db2.gz XWUOTSLUPHASMM-YUELXQCFSA-N 1 3 310.442 -0.223 20 0 DBADHO COC(=O)[C@H]1C[C@H](N2CCC(N3CCC([NH3+])CC3)CC2)CN1 ZINC001246970842 834465378 /nfs/dbraw/zinc/46/53/78/834465378.db2.gz WVLVOJUTGFEJLC-LSDHHAIUSA-N 1 3 310.442 -0.223 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[NH2+]CCC1(F)F)O3 ZINC001247006921 834467745 /nfs/dbraw/zinc/46/77/45/834467745.db2.gz DCAJTHFBSFJEMX-RCWTZXSCSA-N 1 3 323.365 -0.872 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[NH2+]CCC[C@H]1F)O3 ZINC001247006812 834468081 /nfs/dbraw/zinc/46/80/81/834468081.db2.gz AICUWSSLPVIKSJ-KVSVUVNWSA-N 1 3 319.402 -0.779 20 0 DBADHO C[C@H]1CC[C@@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)C[NH2+]1 ZINC001247008787 834468240 /nfs/dbraw/zinc/46/82/40/834468240.db2.gz LFWASBSXSXDHQI-QWQWKMKNSA-N 1 3 301.412 -0.728 20 0 DBADHO CCC(=O)[C@H]1C[C@@H](N2C[C@H]3CC[NH2+]CC[C@H]3S2(=O)=O)CN1 ZINC001247010102 834469010 /nfs/dbraw/zinc/46/90/10/834469010.db2.gz MSNOPNQVJKWIBN-HKUMRIAESA-N 1 3 315.439 -0.290 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[NH2+]CCC12CC2)O3 ZINC001247010263 834469527 /nfs/dbraw/zinc/46/95/27/834469527.db2.gz UAKLAKLHYYHIJD-NMKXLXIOSA-N 1 3 313.423 -0.727 20 0 DBADHO CCN1CCO[C@@H]2C[N@H+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251016442 834484419 /nfs/dbraw/zinc/48/44/19/834484419.db2.gz JUCAWAAZHOSABP-HRCADAONSA-N 1 3 313.442 -0.668 20 0 DBADHO CCN1CCO[C@@H]2C[N@@H+](C[C@@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251016442 834484423 /nfs/dbraw/zinc/48/44/23/834484423.db2.gz JUCAWAAZHOSABP-HRCADAONSA-N 1 3 313.442 -0.668 20 0 DBADHO O=C1CO[C@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252945439 834557214 /nfs/dbraw/zinc/55/72/14/834557214.db2.gz COCQXISATYYPPJ-WBVHZDCISA-N 1 3 319.405 -0.272 20 0 DBADHO O=C1CO[C@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252945439 834557224 /nfs/dbraw/zinc/55/72/24/834557224.db2.gz COCQXISATYYPPJ-WBVHZDCISA-N 1 3 319.405 -0.272 20 0 DBADHO CC[NH+](CC)C[C@H](O)CNCCC(=O)N1CCN(C)CC1 ZINC001253208999 834565145 /nfs/dbraw/zinc/56/51/45/834565145.db2.gz VSDDHANFDXQFJG-CQSZACIVSA-N 1 3 300.447 -0.557 20 0 DBADHO C[C@@H](CC(=O)N1CCOCC1)N1CCN(CC[NH+](C)C)CC1 ZINC001256334913 834626254 /nfs/dbraw/zinc/62/62/54/834626254.db2.gz LFMWARHIVAFORX-HNNXBMFYSA-N 1 3 312.458 -0.197 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCN(C[C@@H](O)COC)CC1 ZINC001197706441 834896659 /nfs/dbraw/zinc/89/66/59/834896659.db2.gz ILXNUPBVDQXDQN-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCN(C[C@@H](O)COC)CC1 ZINC001197706441 834896670 /nfs/dbraw/zinc/89/66/70/834896670.db2.gz ILXNUPBVDQXDQN-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001263849224 834991219 /nfs/dbraw/zinc/99/12/19/834991219.db2.gz APIOOMIGUFYQOZ-XQQFMLRXSA-N 1 3 324.425 -0.382 20 0 DBADHO CN1CCN(c2ccncc2C(=O)NCC[NH2+]CCO)CC1 ZINC001199361973 835015457 /nfs/dbraw/zinc/01/54/57/835015457.db2.gz XVFROGDXKSHEJZ-UHFFFAOYSA-N 1 3 307.398 -0.855 20 0 DBADHO CN(CCCNC(=O)CCC[NH+](C)C)[C@H]1CCC(=O)NC1=O ZINC001265028622 835075771 /nfs/dbraw/zinc/07/57/71/835075771.db2.gz DTEONLXXPOYFGN-LBPRGKRZSA-N 1 3 312.414 -0.429 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCCN2CCN(CCCO)CC2)C1 ZINC001265254709 835116655 /nfs/dbraw/zinc/11/66/55/835116655.db2.gz XAPXRWMUYBSDOT-HNNXBMFYSA-N 1 3 312.458 -0.556 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCCN2CCN(CCCO)CC2)C1 ZINC001265254709 835116659 /nfs/dbraw/zinc/11/66/59/835116659.db2.gz XAPXRWMUYBSDOT-HNNXBMFYSA-N 1 3 312.458 -0.556 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1)C1CC1 ZINC001200688093 835145501 /nfs/dbraw/zinc/14/55/01/835145501.db2.gz KODMQEQZNLTGRF-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001200796272 835152244 /nfs/dbraw/zinc/15/22/44/835152244.db2.gz WXELJYHDXHUBRK-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO COC[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001201052965 835166049 /nfs/dbraw/zinc/16/60/49/835166049.db2.gz IMIKDRORBGGFGM-LSDHHAIUSA-N 1 3 313.442 -0.086 20 0 DBADHO CN(C)C(=O)C[NH2+]C1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001201053253 835166350 /nfs/dbraw/zinc/16/63/50/835166350.db2.gz NKNDKCIICJKHEE-HNNXBMFYSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(N)=O ZINC001201319055 835182673 /nfs/dbraw/zinc/18/26/73/835182673.db2.gz RHTXXHMWSIVBIZ-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@@H](C[NH2+]CCCO)C2)C1 ZINC001201403669 835189276 /nfs/dbraw/zinc/18/92/76/835189276.db2.gz ONHKPXNINCFRSS-CABCVRRESA-N 1 3 313.442 -0.082 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201679281 835203198 /nfs/dbraw/zinc/20/31/98/835203198.db2.gz ULBDLRSMQGPOPM-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001201800029 835210278 /nfs/dbraw/zinc/21/02/78/835210278.db2.gz AVLQBFUUTRZVHB-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(=O)NC)C1 ZINC001201800029 835210287 /nfs/dbraw/zinc/21/02/87/835210287.db2.gz AVLQBFUUTRZVHB-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001201808384 835210672 /nfs/dbraw/zinc/21/06/72/835210672.db2.gz CMNXQPHECJVESF-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001201808384 835210676 /nfs/dbraw/zinc/21/06/76/835210676.db2.gz CMNXQPHECJVESF-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201809844 835211839 /nfs/dbraw/zinc/21/18/39/835211839.db2.gz QHCYCCHDVDTXBP-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201809844 835211845 /nfs/dbraw/zinc/21/18/45/835211845.db2.gz QHCYCCHDVDTXBP-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CCCO[C@@H](CNCCF)C1 ZINC001201863670 835214860 /nfs/dbraw/zinc/21/48/60/835214860.db2.gz 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CC[N@H+](C)CCC(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 ZINC001210494606 978514472 /nfs/dbraw/zinc/51/44/72/978514472.db2.gz WPIZKKTVEUDIBH-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](NCCS(C)(=O)=O)C1 ZINC001210494606 978514479 /nfs/dbraw/zinc/51/44/79/978514479.db2.gz WPIZKKTVEUDIBH-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673800 978526153 /nfs/dbraw/zinc/52/61/53/978526153.db2.gz IDHNGMCNLJERQF-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673800 978526156 /nfs/dbraw/zinc/52/61/56/978526156.db2.gz IDHNGMCNLJERQF-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001210811519 978533776 /nfs/dbraw/zinc/53/37/76/978533776.db2.gz PCWSYNACOOADRG-STQMWFEESA-N 1 3 324.425 -0.286 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001211063973 978552453 /nfs/dbraw/zinc/55/24/53/978552453.db2.gz FIZAAUKZKMVFDT-OLZOCXBDSA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001211063973 978552458 /nfs/dbraw/zinc/55/24/58/978552458.db2.gz FIZAAUKZKMVFDT-OLZOCXBDSA-N 1 3 317.455 -0.437 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211275997 978562793 /nfs/dbraw/zinc/56/27/93/978562793.db2.gz CWBNDCHIERVYSP-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1C ZINC001214646454 978747073 /nfs/dbraw/zinc/74/70/73/978747073.db2.gz SYXKZDOITHHVKX-VHDGCEQUSA-N 1 3 322.453 -0.099 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001214755152 978749748 /nfs/dbraw/zinc/74/97/48/978749748.db2.gz SXBAHDOJZNVBCA-JHJVBQTASA-N 1 3 316.421 -0.151 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(N)=O)C1 ZINC001214757743 978750174 /nfs/dbraw/zinc/75/01/74/978750174.db2.gz VHTNBUDYFNIXSB-GRYCIOLGSA-N 1 3 302.394 -0.412 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215541354 978772507 /nfs/dbraw/zinc/77/25/07/978772507.db2.gz YZXMPDWALBKKRE-BFHYXJOUSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001216405227 978785910 /nfs/dbraw/zinc/78/59/10/978785910.db2.gz IQLIGUOTXFGXJA-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216750163 978792072 /nfs/dbraw/zinc/79/20/72/978792072.db2.gz RPHUOEXHBFGUJW-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216750163 978792079 /nfs/dbraw/zinc/79/20/79/978792079.db2.gz RPHUOEXHBFGUJW-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754107 978793570 /nfs/dbraw/zinc/79/35/70/978793570.db2.gz HSNUCZRMKOBWKU-MGPQQGTHSA-N 1 3 310.442 -0.101 20 0 DBADHO CC(C)NC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754107 978793573 /nfs/dbraw/zinc/79/35/73/978793573.db2.gz HSNUCZRMKOBWKU-MGPQQGTHSA-N 1 3 310.442 -0.101 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001216851623 978796228 /nfs/dbraw/zinc/79/62/28/978796228.db2.gz CNZYKIXXKRQXSV-MGPQQGTHSA-N 1 3 310.442 -0.006 20 0 DBADHO C[C@@H]1CN(CCc2nnc([C@@H]3C[NH2+]CC34CNC4)o2)C[C@H](C)O1 ZINC001217705051 978812791 /nfs/dbraw/zinc/81/27/91/978812791.db2.gz YOOKRZMLVPNKMC-XQQFMLRXSA-N 1 3 321.425 -0.002 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(OC[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001218085789 978820910 /nfs/dbraw/zinc/82/09/10/978820910.db2.gz FDCZQMIYZIKRPX-PMOUVXMZSA-N 1 3 305.378 -0.345 20 0 DBADHO c1cc(O[C@@H]2C[C@H]3C[NH2+]CCN3C2)n2nc3c(c2n1)CNCC3 ZINC001218107076 978821140 /nfs/dbraw/zinc/82/11/40/978821140.db2.gz HILBUFXQFJHJHG-NWDGAFQWSA-N 1 3 314.393 -0.200 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001218092560 978821256 /nfs/dbraw/zinc/82/12/56/978821256.db2.gz IGFGYHCCNIBFES-KBPBESRZSA-N 1 3 305.378 -0.059 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ncccn1 ZINC001218495964 978825573 /nfs/dbraw/zinc/82/55/73/978825573.db2.gz QXDTTXPLUJPXIK-RYUDHWBXSA-N 1 3 320.397 -0.138 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)Nc1ccc(C(=O)N2CCOCC2)cn1 ZINC001218510797 978826976 /nfs/dbraw/zinc/82/69/76/978826976.db2.gz OGHBCMKTBQIWPS-GFCCVEGCSA-N 1 3 321.381 -0.441 20 0 DBADHO CCOC(=O)c1n[nH]cc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218549572 978829508 /nfs/dbraw/zinc/82/95/08/978829508.db2.gz IPNSSNTXVQEKPC-YMTOWFKASA-N 1 3 307.354 -0.276 20 0 DBADHO O=C(Nc1cncnc1Br)[C@H]1C[NH2+]CC12CNC2 ZINC001218570139 978833015 /nfs/dbraw/zinc/83/30/15/978833015.db2.gz FZGCFZKMNWXEAB-SSDOTTSWSA-N 1 3 312.171 -0.013 20 0 DBADHO C[NH+](C)CCC(=O)N1CCO[C@@H]2CN(C[C@H]3CCOC3)C[C@@H]21 ZINC001218600014 978835429 /nfs/dbraw/zinc/83/54/29/978835429.db2.gz FGZGSRUZRSHPJL-QLFBSQMISA-N 1 3 311.426 -0.114 20 0 DBADHO Cn1cc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])nn1 ZINC001218627947 978838184 /nfs/dbraw/zinc/83/81/84/978838184.db2.gz BHUKKAPCBUUFQS-QWRGUYRKSA-N 1 3 323.401 -0.799 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218641393 978839043 /nfs/dbraw/zinc/83/90/43/978839043.db2.gz QKIPONTUNASEGV-GWCFXTLKSA-N 1 3 322.413 -0.156 20 0 DBADHO CCOC(=O)c1ncncc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218679213 978844774 /nfs/dbraw/zinc/84/47/74/978844774.db2.gz QFPJECFHDGTUIK-VIFPVBQESA-N 1 3 305.338 -0.599 20 0 DBADHO Cc1nc2[nH]cnc2c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001218699723 978845295 /nfs/dbraw/zinc/84/52/95/978845295.db2.gz PLQHIFCTLHLPTH-YMTOWFKASA-N 1 3 301.354 -0.201 20 0 DBADHO Nc1cccnc1N(C(=O)[C@H]1CNCCN1)C1CC[NH2+]CC1 ZINC001218696278 978845415 /nfs/dbraw/zinc/84/54/15/978845415.db2.gz QMTUANISNZLBBK-CYBMUJFWSA-N 1 3 304.398 -0.690 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)Nc1ncccc1CN1CCOCC1 ZINC001218701019 978845933 /nfs/dbraw/zinc/84/59/33/978845933.db2.gz XGNFTNAVSBFIDY-CYBMUJFWSA-N 1 3 307.398 -0.082 20 0 DBADHO CCOC(=O)c1nc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1C ZINC001218707431 978847090 /nfs/dbraw/zinc/84/70/90/978847090.db2.gz QELHVLQCGAYHTE-MEBBXXQBSA-N 1 3 321.381 -0.266 20 0 DBADHO [NH3+]C1CCN(c2ccc(NC(=O)[C@@H]3CNCCN3)cn2)CC1 ZINC001218724883 978848009 /nfs/dbraw/zinc/84/80/09/978848009.db2.gz OETYVCRVFLAKCY-ZDUSSCGKSA-N 1 3 304.398 -0.491 20 0 DBADHO O=C(Nc1cncc(N2CCOCC2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218746710 978849399 /nfs/dbraw/zinc/84/93/99/978849399.db2.gz NPSDGEYHMYIJGX-CQSZACIVSA-N 1 3 317.393 -0.334 20 0 DBADHO O=C(Nc1nc2n[nH]cc2c(Cl)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001218799591 978853925 /nfs/dbraw/zinc/85/39/25/978853925.db2.gz WEIUKQMKBDTMJA-SSDOTTSWSA-N 1 3 307.745 -0.246 20 0 DBADHO COCCOc1cc(NC(=O)[C@H]2C[NH2+]CC23CNC3)ccn1 ZINC001218806883 978854009 /nfs/dbraw/zinc/85/40/09/978854009.db2.gz IFZGAFIZHPYVMN-GFCCVEGCSA-N 1 3 306.366 -0.146 20 0 DBADHO O=C(Nc1ccc2c(c1)C(=O)NCCO2)[C@H]1C[NH2+]CC12CNC2 ZINC001218816533 978855289 /nfs/dbraw/zinc/85/52/89/978855289.db2.gz IBQZWLLBHHMAGY-GFCCVEGCSA-N 1 3 316.361 -0.444 20 0 DBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)Nc1ccc2n[nH]nc2c1 ZINC001218877940 978856167 /nfs/dbraw/zinc/85/61/67/978856167.db2.gz WOBGSQCHFMDUCF-LLVKDONJSA-N 1 3 303.370 -0.353 20 0 DBADHO COC(=O)c1c(O)cccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218988501 978862927 /nfs/dbraw/zinc/86/29/27/978862927.db2.gz WHDACTKICQFTSA-SECBINFHSA-N 1 3 305.334 -0.074 20 0 DBADHO COc1cc2c(cc1NC(=O)[C@@H](N)CN)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501586 978953468 /nfs/dbraw/zinc/95/34/68/978953468.db2.gz XEIBIVRAVDGDHO-VFZGTOFNSA-N 1 3 319.365 -0.897 20 0 DBADHO COCCCNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001219555744 978966164 /nfs/dbraw/zinc/96/61/64/978966164.db2.gz QAYWQTXKMDPCNW-STQMWFEESA-N 1 3 314.430 -0.414 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610310 978978371 /nfs/dbraw/zinc/97/83/71/978978371.db2.gz NKUZYJMUYNQSKM-SXTCDSCISA-N 1 3 301.334 -0.507 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611153 978979641 /nfs/dbraw/zinc/97/96/41/978979641.db2.gz WROIBCSFPYPVQR-GMSGAONNSA-N 1 3 311.308 -0.827 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614338 978980223 /nfs/dbraw/zinc/98/02/23/978980223.db2.gz XPOCQTWHBOYZIB-PEXQALLHSA-N 1 3 324.347 -0.113 20 0 DBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001219641226 978987239 /nfs/dbraw/zinc/98/72/39/978987239.db2.gz GQZPNTHRSFNCFX-SDDRHHMPSA-N 1 3 315.439 -0.875 20 0 DBADHO COC(=O)c1csc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001219667469 978989184 /nfs/dbraw/zinc/98/91/84/978989184.db2.gz ZKRFUXDKXCCNIA-YMTOWFKASA-N 1 3 324.406 -0.255 20 0 DBADHO CCOC(=O)c1nc[nH]c1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001219676578 978990841 /nfs/dbraw/zinc/99/08/41/978990841.db2.gz PNIDWMXRGYPGFV-VIFPVBQESA-N 1 3 307.354 -0.988 20 0 DBADHO CN(C(=O)CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)C1CC1 ZINC001219693086 978995815 /nfs/dbraw/zinc/99/58/15/978995815.db2.gz MWAVEIVVOXALLN-ZDUSSCGKSA-N 1 3 308.426 -0.012 20 0 DBADHO CN(C(=O)CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)C1CC1 ZINC001219693086 978995818 /nfs/dbraw/zinc/99/58/18/978995818.db2.gz MWAVEIVVOXALLN-ZDUSSCGKSA-N 1 3 308.426 -0.012 20 0 DBADHO CS(=O)(=O)c1ccc(CNC(=O)[C@@]23CC[C@@H]([NH2+]2)[C@H](N)C3)nc1 ZINC001219716664 978998753 /nfs/dbraw/zinc/99/87/53/978998753.db2.gz XBPKRMYHCUZXRA-BZPMIXESSA-N 1 3 324.406 -0.677 20 0 DBADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CNCc2ccnn2C1 ZINC001219736892 979002434 /nfs/dbraw/zinc/00/24/34/979002434.db2.gz KOPCSZUGJRVUDE-DGCLKSJQSA-N 1 3 305.382 -0.903 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741893 979005358 /nfs/dbraw/zinc/00/53/58/979005358.db2.gz XFWRDHVBTPJRHE-VXGBXAGGSA-N 1 3 313.398 -0.316 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743632 979005942 /nfs/dbraw/zinc/00/59/42/979005942.db2.gz IHQCCOWPIQNXQI-OABGYEMISA-N 1 3 317.455 -0.500 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219800639 979018868 /nfs/dbraw/zinc/01/88/68/979018868.db2.gz LZOZLMDOTPAJLS-AVGNSLFASA-N 1 3 324.425 -0.791 20 0 DBADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)[C@@H]1CNCc2ccnn2C1 ZINC001219801416 979018880 /nfs/dbraw/zinc/01/88/80/979018880.db2.gz ZIYBOHFCDGKWFM-CHWSQXEVSA-N 1 3 319.409 -0.513 20 0 DBADHO N[C@@H](CC(F)F)C(=O)NC[C@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837247 979027360 /nfs/dbraw/zinc/02/73/60/979027360.db2.gz IHPNNGQIOSGDPX-OUJBWJOFSA-N 1 3 307.341 -0.520 20 0 DBADHO NC1(C(=O)NC[C@@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC(F)C1 ZINC001219836537 979027997 /nfs/dbraw/zinc/02/79/97/979027997.db2.gz ADQYOSJIYVFWFQ-MLWDRFBSSA-N 1 3 301.362 -0.673 20 0 DBADHO N[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847344 979030105 /nfs/dbraw/zinc/03/01/05/979030105.db2.gz DNAVIIBKYYSZRM-ZQDZILKHSA-N 1 3 305.378 -0.102 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@H]1CNCc2ccnn2C1 ZINC001219847292 979030289 /nfs/dbraw/zinc/03/02/89/979030289.db2.gz BXJRTKPPHKZBML-DOERSZECSA-N 1 3 305.382 -0.762 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1COC2(C1)CC[NH2+]CC2 ZINC001219847605 979030915 /nfs/dbraw/zinc/03/09/15/979030915.db2.gz LZSONFRRHGGIEZ-ZOBORPQBSA-N 1 3 309.410 -0.219 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@]12CCCO[C@@H]1CC[NH2+]C2 ZINC001219847997 979031095 /nfs/dbraw/zinc/03/10/95/979031095.db2.gz URUYBKXYEJBMQN-ZHMBSYLPSA-N 1 3 309.410 -0.219 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219849761 979032447 /nfs/dbraw/zinc/03/24/47/979032447.db2.gz IHHVUMRCCHCTMW-OLMNGRFOSA-N 1 3 322.453 -0.162 20 0 DBADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001219890810 979039414 /nfs/dbraw/zinc/03/94/14/979039414.db2.gz KUTNLGMQBDMQPV-ZENOOKHLSA-N 1 3 306.410 -0.402 20 0 DBADHO CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001219890810 979039418 /nfs/dbraw/zinc/03/94/18/979039418.db2.gz KUTNLGMQBDMQPV-ZENOOKHLSA-N 1 3 306.410 -0.402 20 0 DBADHO O=C(N[C@H]1CCc2[nH]c(=O)ccc2C1)[C@H]1C[NH2+]CC12CNC2 ZINC001219889900 979039637 /nfs/dbraw/zinc/03/96/37/979039637.db2.gz CCPAPGWDSIQUNN-NWDGAFQWSA-N 1 3 302.378 -0.430 20 0 DBADHO N[C@H](C(=O)NC[C@@H](O)COc1ccccc1)C1CC[NH2+]CC1 ZINC001219918793 979043385 /nfs/dbraw/zinc/04/33/85/979043385.db2.gz QXPAPGQDHZZWEG-HIFRSBDPSA-N 1 3 307.394 -0.131 20 0 DBADHO N[C@@H](C(=O)NCCNC(=O)c1ccncc1)C1CC[NH2+]CC1 ZINC001219938910 979047251 /nfs/dbraw/zinc/04/72/51/979047251.db2.gz IXJUZQMUOPMXAR-CYBMUJFWSA-N 1 3 305.382 -0.746 20 0 DBADHO COC(=O)C1(NC(=O)[C@H]2CNCc3ccnn3C2)CC[NH2+]CC1 ZINC001219999631 979058122 /nfs/dbraw/zinc/05/81/22/979058122.db2.gz ZHLHKUVGFWAMPE-NSHDSACASA-N 1 3 321.381 -0.986 20 0 DBADHO Cc1ncc(CO)c(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c1[O-] ZINC001220093013 979092759 /nfs/dbraw/zinc/09/27/59/979092759.db2.gz MYLJIIWRKRPAJP-CYBMUJFWSA-N 1 3 308.382 -0.469 20 0 DBADHO O=C(N[C@@H](CO)Cc1ccc(O)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220117175 979098481 /nfs/dbraw/zinc/09/84/81/979098481.db2.gz BMCZYMOIYZSBRJ-CKEIUWERSA-N 1 3 319.405 -0.389 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)NCCC1CCS(=O)(=O)CC1 ZINC001220141634 979109841 /nfs/dbraw/zinc/10/98/41/979109841.db2.gz OXYWYKSRRRTLDO-LBPRGKRZSA-N 1 3 305.444 -0.226 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CSCC[NH3+])[C@H](C)OC1 ZINC001220139475 979110893 /nfs/dbraw/zinc/11/08/93/979110893.db2.gz SEHFFIWDYXSOTD-WPRPVWTQSA-N 1 3 317.411 -0.642 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCC1CC(=O)C1 ZINC001220178987 979126921 /nfs/dbraw/zinc/12/69/21/979126921.db2.gz CRNCJQDPODSNEU-KBPBESRZSA-N 1 3 324.425 -0.471 20 0 DBADHO O=C(NCc1cc(OC2COC2)ccn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220183657 979127377 /nfs/dbraw/zinc/12/73/77/979127377.db2.gz WFBSNJDPKPVNGT-AWEZNQCLSA-N 1 3 318.377 -0.716 20 0 DBADHO O=C(NC[C@@H]1CCNCC1(F)F)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220186211 979129548 /nfs/dbraw/zinc/12/95/48/979129548.db2.gz NNPSUQZPSHZVHO-DMDPSCGWSA-N 1 3 302.369 -0.454 20 0 DBADHO N[C@@H](C(=O)NCc1cc(OC2COC2)ccn1)C1CC[NH2+]CC1 ZINC001220186586 979131348 /nfs/dbraw/zinc/13/13/48/979131348.db2.gz RZTMLLBJZWUGGZ-OAHLLOKOSA-N 1 3 320.393 -0.198 20 0 DBADHO O=C(NCC1(N2CCCC2)COC1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220197622 979132877 /nfs/dbraw/zinc/13/28/77/979132877.db2.gz LWZIBLZZISWVGS-CQSZACIVSA-N 1 3 322.453 -0.158 20 0 DBADHO COCCC[NH+]1CCC(NC(=O)[C@H](N)Cc2c[nH]cn2)CC1 ZINC001220200195 979134124 /nfs/dbraw/zinc/13/41/24/979134124.db2.gz CSLKXSPTBYAHIT-CQSZACIVSA-N 1 3 309.414 -0.103 20 0 DBADHO COCCCCN1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237769 979142200 /nfs/dbraw/zinc/14/22/00/979142200.db2.gz DOXHJCMREAFKPQ-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCO[C@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220276910 979151939 /nfs/dbraw/zinc/15/19/39/979151939.db2.gz MZDGZNXNJSKACU-QLFBSQMISA-N 1 3 313.442 -0.086 20 0 DBADHO CO[C@@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001220277383 979155630 /nfs/dbraw/zinc/15/56/30/979155630.db2.gz YRNCTACAJGEEGG-ILXRZTDVSA-N 1 3 313.442 -0.086 20 0 DBADHO O=C(NCc1ncn2c1CNCCC2)[C@]12C[NH2+]C[C@H]1COC2 ZINC001220311928 979160762 /nfs/dbraw/zinc/16/07/62/979160762.db2.gz UFIYSXBHFUWCEO-NHYWBVRUSA-N 1 3 305.382 -0.771 20 0 DBADHO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1ncn2c1CNCCC2 ZINC001220313390 979161178 /nfs/dbraw/zinc/16/11/78/979161178.db2.gz OOIIXLHXDOCHOF-SMDDNHRTSA-N 1 3 321.381 -0.856 20 0 DBADHO C[NH2+][C@@H]1CCCN(CC(=O)NCc2ncn3c2CNCCC3)C1 ZINC001220313624 979161474 /nfs/dbraw/zinc/16/14/74/979161474.db2.gz RNJBUXAJOAREIE-CYBMUJFWSA-N 1 3 320.441 -0.324 20 0 DBADHO O=C(NCc1ncn2c1C[NH2+]CCC2)c1[nH]nc2c1CCNC2 ZINC001220313802 979161915 /nfs/dbraw/zinc/16/19/15/979161915.db2.gz WJSYEWWCQLOJHA-UHFFFAOYSA-N 1 3 315.381 -0.325 20 0 DBADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220333683 979173437 /nfs/dbraw/zinc/17/34/37/979173437.db2.gz XTLILZDOHIHJBO-KBPBESRZSA-N 1 3 310.442 -0.447 20 0 DBADHO N[C@H]1CCCCN(CC(=O)NCC23CC[NH+](CC2)CC3)C1=O ZINC001220395008 979186656 /nfs/dbraw/zinc/18/66/56/979186656.db2.gz RJYYMYOXEJTVKQ-ZDUSSCGKSA-N 1 3 308.426 -0.072 20 0 DBADHO O=C(N[C@H]1C(=O)NCc2ccccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220403192 979192680 /nfs/dbraw/zinc/19/26/80/979192680.db2.gz JTPJRZAKIUOOJV-SUYBPPKGSA-N 1 3 314.389 -0.327 20 0 DBADHO CSc1nc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cc(=O)n1C ZINC001220435702 979200855 /nfs/dbraw/zinc/20/08/55/979200855.db2.gz LRPSOIMNHGJBFW-NSHDSACASA-N 1 3 311.411 -0.232 20 0 DBADHO CC(C)NC(=O)[C@@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(C)C ZINC001220462775 979206971 /nfs/dbraw/zinc/20/69/71/979206971.db2.gz NTTFWTWXQHTTNR-DVOMOZLQSA-N 1 3 310.442 -0.149 20 0 DBADHO COCCCN1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220478896 979208845 /nfs/dbraw/zinc/20/88/45/979208845.db2.gz PBNLGIZCQFHKBY-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220514621 979219374 /nfs/dbraw/zinc/21/93/74/979219374.db2.gz SBUXESJTVQBCEL-SECBINFHSA-N 1 3 309.326 -0.766 20 0 DBADHO CN[C@@H](COCc1ccccc1)C(=O)NCCN(C)CC[NH3+] ZINC001220517662 979220426 /nfs/dbraw/zinc/22/04/26/979220426.db2.gz VENFIWPZSODZPN-HNNXBMFYSA-N 1 3 308.426 -0.202 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[NH2+][C@@H]3CCO[C@@H]32)CCNC1 ZINC001220521671 979222248 /nfs/dbraw/zinc/22/22/48/979222248.db2.gz KVUIUYRWSLGPEX-CYZMBNFOSA-N 1 3 309.366 -0.710 20 0 DBADHO [NH3+]CCOCCOCCNC(=O)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001220519081 979224279 /nfs/dbraw/zinc/22/42/79/979224279.db2.gz AHJMWOPVBPSIMW-UKRRQHHQSA-N 1 3 315.414 -0.747 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@@H]3CCO[C@@H]32)CCNC1 ZINC001220523311 979227450 /nfs/dbraw/zinc/22/74/50/979227450.db2.gz MAROWEBDOWDQSA-SUHUHFCYSA-N 1 3 323.393 -0.462 20 0 DBADHO CC(C)(O)[C@H](N)C(=O)NCc1ccccc1N1CC[NH2+]CC1 ZINC001220648979 979256627 /nfs/dbraw/zinc/25/66/27/979256627.db2.gz PPMOLIFOBFMJTP-CQSZACIVSA-N 1 3 306.410 -0.189 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799494 979287167 /nfs/dbraw/zinc/28/71/67/979287167.db2.gz BPDQAPKGNUTWNX-OPRDCNLKSA-N 1 3 305.304 -0.064 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799493 979287419 /nfs/dbraw/zinc/28/74/19/979287419.db2.gz BPDQAPKGNUTWNX-LPEHRKFASA-N 1 3 305.304 -0.064 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799791 979288785 /nfs/dbraw/zinc/28/87/85/979288785.db2.gz HEPBWVPSGWXHNX-OUAUKWLOSA-N 1 3 319.331 -0.054 20 0 DBADHO COc1cc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)cc(OC)c1O ZINC001220813020 979294488 /nfs/dbraw/zinc/29/44/88/979294488.db2.gz XXBVLNOAEHEZFX-LLVKDONJSA-N 1 3 321.377 -0.165 20 0 DBADHO COc1cc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)cc(OC)c1O ZINC001220813021 979296710 /nfs/dbraw/zinc/29/67/10/979296710.db2.gz XXBVLNOAEHEZFX-NSHDSACASA-N 1 3 321.377 -0.165 20 0 DBADHO COC(=O)c1cncc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001220843205 979304199 /nfs/dbraw/zinc/30/41/99/979304199.db2.gz NQWHAHFZLYPZFR-GFCCVEGCSA-N 1 3 304.350 -0.707 20 0 DBADHO O=C(N[C@H]1CCN(Cc2cccnc2)C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220914871 979323152 /nfs/dbraw/zinc/32/31/52/979323152.db2.gz DBHZRFAPEOFXME-GJZGRUSLSA-N 1 3 315.421 -0.419 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930921 979328124 /nfs/dbraw/zinc/32/81/24/979328124.db2.gz VFWWWIZENGIAPX-HUBLWGQQSA-N 1 3 321.425 -0.213 20 0 DBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937555 979334598 /nfs/dbraw/zinc/33/45/98/979334598.db2.gz VCZDTWDWQBGDOU-NWDGAFQWSA-N 1 3 315.414 -0.070 20 0 DBADHO [NH3+]C1(CC2CCC2)CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1 ZINC001220972969 979336570 /nfs/dbraw/zinc/33/65/70/979336570.db2.gz QDYJAWBEYPCSEM-AWEZNQCLSA-N 1 3 322.453 -0.173 20 0 DBADHO CCc1nnc2ccc(CNC(=O)[C@@H]3C[NH2+]CC34CNC4)cn21 ZINC001220992865 979339130 /nfs/dbraw/zinc/33/91/30/979339130.db2.gz VWKBXNCLCIBPEE-LBPRGKRZSA-N 1 3 314.393 -0.283 20 0 DBADHO COc1cccc(CNC(=O)CNC(=O)[C@H](N)CCC[NH3+])c1 ZINC001221060630 979355372 /nfs/dbraw/zinc/35/53/72/979355372.db2.gz IFYAVMUNCDHKJW-CYBMUJFWSA-N 1 3 308.382 -0.506 20 0 DBADHO [NH3+]CCN(C(=O)[C@H]1COC2(CNC2)CN1)c1ccc(F)cc1 ZINC001221060591 979356188 /nfs/dbraw/zinc/35/61/88/979356188.db2.gz GOYDUKWETCQVKU-CYBMUJFWSA-N 1 3 308.357 -0.552 20 0 DBADHO O=C(NCc1ccn(CC(F)(F)F)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221107703 979365567 /nfs/dbraw/zinc/36/55/67/979365567.db2.gz HPPSMNBFDNJTMQ-JTQLQIEISA-N 1 3 317.315 -0.129 20 0 DBADHO COCCC1([NH3+])CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC1 ZINC001221134371 979370255 /nfs/dbraw/zinc/37/02/55/979370255.db2.gz XNNUFXGPLAYNFC-YBTHPKLGSA-N 1 3 305.444 -0.561 20 0 DBADHO COCCOc1nccc(CNC(=O)[C@@H](N)C2CC[NH2+]CC2)n1 ZINC001221158323 979376971 /nfs/dbraw/zinc/37/69/71/979376971.db2.gz ZKBIYHMBXPGIQU-ZDUSSCGKSA-N 1 3 323.397 -0.555 20 0 DBADHO COC(=O)[C@@](C)(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(F)(F)F ZINC001221218627 979384754 /nfs/dbraw/zinc/38/47/54/979384754.db2.gz BFPNWEOFMKEDRL-GGZOMVNGSA-N 1 3 323.315 -0.204 20 0 DBADHO COC(=O)[C@](C)(NC(=O)[C@@H](N)CSCC[NH3+])C(F)(F)F ZINC001221221757 979386281 /nfs/dbraw/zinc/38/62/81/979386281.db2.gz WVYYPRACIZMLJQ-RCOVLWMOSA-N 1 3 317.333 -0.384 20 0 DBADHO O=C(NCCNC(=O)[C@@H]1C[NH2+]CC12CNC2)c1cccs1 ZINC001221309242 979401175 /nfs/dbraw/zinc/40/11/75/979401175.db2.gz MMJKYXQZLDBDCF-JTQLQIEISA-N 1 3 308.407 -0.597 20 0 DBADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H](N)CC[S@@](C)=O)c1 ZINC001221403702 979413474 /nfs/dbraw/zinc/41/34/74/979413474.db2.gz JPOJRNRXNIHZPJ-OYMPBJRDSA-N 1 3 313.423 -0.093 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221397552 979413770 /nfs/dbraw/zinc/41/37/70/979413770.db2.gz MAUMIJGDTAMWPN-KBPBESRZSA-N 1 3 319.409 -0.407 20 0 DBADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H]2COC3(CNC3)CN2)c1 ZINC001221403272 979416074 /nfs/dbraw/zinc/41/60/74/979416074.db2.gz AVJDMHGIYWMQOU-KBPBESRZSA-N 1 3 320.393 -0.858 20 0 DBADHO CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2COC3(CNC3)CN2)[C@H](C)C1 ZINC001221408836 979418059 /nfs/dbraw/zinc/41/80/59/979418059.db2.gz RSGJGJFBWBIZLL-MGPQQGTHSA-N 1 3 310.442 -0.448 20 0 DBADHO CC(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2COC3(CNC3)CN2)[C@H](C)C1 ZINC001221408836 979418066 /nfs/dbraw/zinc/41/80/66/979418066.db2.gz RSGJGJFBWBIZLL-MGPQQGTHSA-N 1 3 310.442 -0.448 20 0 DBADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](N)CCCNC(N)=O)[C@@H](C)C1 ZINC001221409271 979418942 /nfs/dbraw/zinc/41/89/42/979418942.db2.gz SXXHDEQAYMHXMB-XQQFMLRXSA-N 1 3 313.446 -0.003 20 0 DBADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](N)CCCNC(N)=O)[C@@H](C)C1 ZINC001221409271 979418950 /nfs/dbraw/zinc/41/89/50/979418950.db2.gz SXXHDEQAYMHXMB-XQQFMLRXSA-N 1 3 313.446 -0.003 20 0 DBADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](C)NC(=O)[C@H](C)N)c1 ZINC001221404559 979419417 /nfs/dbraw/zinc/41/94/17/979419417.db2.gz NQFCFXPNMXZULD-OUJBWJOFSA-N 1 3 308.382 -0.337 20 0 DBADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949897 979479914 /nfs/dbraw/zinc/47/99/14/979479914.db2.gz MELQQPHWVPJGLB-QLFBSQMISA-N 1 3 323.437 -0.378 20 0 DBADHO c1nc2n(c1CN1CCOC[C@]3(CNCCO3)C1)CC[NH2+]CC2 ZINC001222186426 979498291 /nfs/dbraw/zinc/49/82/91/979498291.db2.gz HOHICPYWANRQMD-INIZCTEOSA-N 1 3 321.425 -0.780 20 0 DBADHO CCOC(=O)[C@H]1CC2(CN1C[C@@H]1CNCCO1)CC[NH2+]CC2 ZINC001222215872 979501902 /nfs/dbraw/zinc/50/19/02/979501902.db2.gz MMHQBXQDYOYMFU-UONOGXRCSA-N 1 3 311.426 -0.018 20 0 DBADHO c1cc(N2CC[NH2+]CC2)ncc1CN1CCOC2(CNC2)C1 ZINC001222447052 979511808 /nfs/dbraw/zinc/51/18/08/979511808.db2.gz KAESGTXQSKDUBT-UHFFFAOYSA-N 1 3 303.410 -0.335 20 0 DBADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](N)CC(=O)OC)CC1 ZINC001326766211 979766350 /nfs/dbraw/zinc/76/63/50/979766350.db2.gz DHHMEQJUZDDPSG-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO [NH3+][C@@H]1CCCN(C(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)C1 ZINC001330544999 979824711 /nfs/dbraw/zinc/82/47/11/979824711.db2.gz YPBHMKRODRVAAD-OCCSQVGLSA-N 1 3 324.425 -0.694 20 0 DBADHO CC(C)OCCN[C@@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331713079 979893927 /nfs/dbraw/zinc/89/39/27/979893927.db2.gz VZVYJKYTMZKTKE-HUUCEWRRSA-N 1 3 313.442 -0.180 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC001353272419 980793785 /nfs/dbraw/zinc/79/37/85/980793785.db2.gz HWIKIPJCXFGFDS-HNNXBMFYSA-N 1 3 315.458 -0.494 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC001353272420 980794137 /nfs/dbraw/zinc/79/41/37/980794137.db2.gz HWIKIPJCXFGFDS-OAHLLOKOSA-N 1 3 315.458 -0.494 20 0 DBADHO CN(C)CCCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001353482591 980805785 /nfs/dbraw/zinc/80/57/85/980805785.db2.gz NGJYUUSXOMCNAG-AAEUAGOBSA-N 1 3 303.428 -0.921 20 0 DBADHO COCCC[NH+]1CCC(NC[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001356102518 980926127 /nfs/dbraw/zinc/92/61/27/980926127.db2.gz ZBCMGBBBEZSIOC-CVEARBPZSA-N 1 3 316.442 -0.021 20 0 DBADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)C[C@@]1(O)CCOC1 ZINC001356103817 980926344 /nfs/dbraw/zinc/92/63/44/980926344.db2.gz WCICASHEZFAFBX-CABCVRRESA-N 1 3 302.415 -0.675 20 0 DBADHO COCCC[NH+]1CCC(NC[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001356102523 980926653 /nfs/dbraw/zinc/92/66/53/980926653.db2.gz ZBCMGBBBEZSIOC-JKSUJKDBSA-N 1 3 316.442 -0.021 20 0 DBADHO CN1CCN(c2ccc(CCNC(=O)CNCC[NH3+])cc2)CC1 ZINC001357152334 981038088 /nfs/dbraw/zinc/03/80/88/981038088.db2.gz LGFHXHLBXZSGOX-UHFFFAOYSA-N 1 3 319.453 -0.355 20 0 DBADHO [NH3+]CCNCC(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC001357430166 981060190 /nfs/dbraw/zinc/06/01/90/981060190.db2.gz CMRKXYKXOXZBQQ-UHFFFAOYSA-N 1 3 319.453 -0.137 20 0 DBADHO C[NH2+]CCOCCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001357518930 981066194 /nfs/dbraw/zinc/06/61/94/981066194.db2.gz PAGCZLAFTIAVNO-KBPBESRZSA-N 1 3 314.430 -0.537 20 0 DBADHO C[NH2+]CCOCCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001357518936 981066740 /nfs/dbraw/zinc/06/67/40/981066740.db2.gz PAGCZLAFTIAVNO-UONOGXRCSA-N 1 3 314.430 -0.537 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001357671565 981081972 /nfs/dbraw/zinc/08/19/72/981081972.db2.gz MJUGXDBDRWKQIU-LSMGEYOZSA-N 1 3 308.426 -0.037 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001357671565 981081976 /nfs/dbraw/zinc/08/19/76/981081976.db2.gz MJUGXDBDRWKQIU-LSMGEYOZSA-N 1 3 308.426 -0.037 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001530518149 1014725423 /nfs/dbraw/zinc/72/54/23/1014725423.db2.gz PNZXHZUGLDRYJX-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001365821759 983544419 /nfs/dbraw/zinc/54/44/19/983544419.db2.gz AGDICXZYRJKSMA-RWMBFGLXSA-N 1 3 317.455 -0.533 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001365821759 983544431 /nfs/dbraw/zinc/54/44/31/983544431.db2.gz AGDICXZYRJKSMA-RWMBFGLXSA-N 1 3 317.455 -0.533 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCN1C[C@H](O)Cn1cccn1 ZINC001365896162 983584375 /nfs/dbraw/zinc/58/43/75/983584375.db2.gz SZDCNPIDHIJPBF-ILXRZTDVSA-N 1 3 323.441 -0.225 20 0 DBADHO Cc1nccn1CCCC(=O)NCCN1CC[NH+](CCO)CC1 ZINC001365964376 983616163 /nfs/dbraw/zinc/61/61/63/983616163.db2.gz ZWYIQWWCGPIXGB-UHFFFAOYSA-N 1 3 323.441 -0.302 20 0 DBADHO CNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC001366049961 983671357 /nfs/dbraw/zinc/67/13/57/983671357.db2.gz QFPXVUNYUMAJIH-UBHSHLNASA-N 1 3 310.442 -0.053 20 0 DBADHO CNC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001366049961 983671359 /nfs/dbraw/zinc/67/13/59/983671359.db2.gz QFPXVUNYUMAJIH-UBHSHLNASA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H]([NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001366103948 983695103 /nfs/dbraw/zinc/69/51/03/983695103.db2.gz SSLWBZMGULSSOE-JSGCOSHPSA-N 1 3 308.426 -0.060 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001366119410 983706804 /nfs/dbraw/zinc/70/68/04/983706804.db2.gz WMSCITFWRDXEGE-SYQHCUMBSA-N 1 3 301.431 -0.183 20 0 DBADHO CC(C)NC(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366276598 983770373 /nfs/dbraw/zinc/77/03/73/983770373.db2.gz UVCFLNAPEVBANL-GXTWGEPZSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001366291085 983784432 /nfs/dbraw/zinc/78/44/32/983784432.db2.gz VOKJFCVQUKHOKQ-ZJUUUORDSA-N 1 3 313.402 -0.852 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](CC)N(C)C ZINC001366353261 983809991 /nfs/dbraw/zinc/80/99/91/983809991.db2.gz OWCVRWCPWUVTCN-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001366387609 983821750 /nfs/dbraw/zinc/82/17/50/983821750.db2.gz ADXHAAXBWJFBEV-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCCNC1=O ZINC001366866908 984031167 /nfs/dbraw/zinc/03/11/67/984031167.db2.gz OLVKLILNAPCQCO-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](C(N)=O)N(C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366867858 984032259 /nfs/dbraw/zinc/03/22/59/984032259.db2.gz UYJXXIVVHHRXSB-STQMWFEESA-N 1 3 310.442 -0.018 20 0 DBADHO CN(CC1CCN(C(=O)CC[NH+](C)C)CC1)[C@H]1CCNC1=O ZINC001366885777 984038632 /nfs/dbraw/zinc/03/86/32/984038632.db2.gz YGHVYNOYBMORBV-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)N(C)C)CC[N@@H+]1C ZINC001367215453 984214979 /nfs/dbraw/zinc/21/49/79/984214979.db2.gz NXANUPAVOWJABE-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2CNCC(=O)N(C)C)CC[N@H+]1C ZINC001367215453 984214991 /nfs/dbraw/zinc/21/49/91/984214991.db2.gz NXANUPAVOWJABE-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](NC[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001367393714 984297371 /nfs/dbraw/zinc/29/73/71/984297371.db2.gz RMPBJVYZWILCLV-RYUDHWBXSA-N 1 3 324.429 -0.631 20 0 DBADHO Cc1cc(CNC[C@@H](O)CNC(=O)CC[NH+](C)C)sn1 ZINC001367598874 984417240 /nfs/dbraw/zinc/41/72/40/984417240.db2.gz CZKIHCLKHWZJTQ-LLVKDONJSA-N 1 3 300.428 -0.030 20 0 DBADHO CC[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1)C(N)=O ZINC001367598778 984419650 /nfs/dbraw/zinc/41/96/50/984419650.db2.gz BIILMYCDSGIBOF-RYUDHWBXSA-N 1 3 314.430 -0.809 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCC(N)=O)[NH+]1CCCCC1 ZINC001367634371 984497621 /nfs/dbraw/zinc/49/76/21/984497621.db2.gz YJVLHQOVFCVZRX-TZMCWYRMSA-N 1 3 314.430 -0.951 20 0 DBADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367714155 984561267 /nfs/dbraw/zinc/56/12/67/984561267.db2.gz ZPOKENTVILRIDE-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367714155 984561271 /nfs/dbraw/zinc/56/12/71/984561271.db2.gz ZPOKENTVILRIDE-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO COC[C@H](O)C[N@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367809463 984644166 /nfs/dbraw/zinc/64/41/66/984644166.db2.gz VICPIQXOJTUFON-CHWSQXEVSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)C[N@@H+](C)C[C@@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001367809463 984644183 /nfs/dbraw/zinc/64/41/83/984644183.db2.gz VICPIQXOJTUFON-CHWSQXEVSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@H](C(=O)NCC1([NH2+]CCN2CCNC2=O)CC1)N(C)C ZINC001368016314 984844624 /nfs/dbraw/zinc/84/46/24/984844624.db2.gz VXJXDPSSSQJQCN-GFCCVEGCSA-N 1 3 311.430 -0.410 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001368109925 984875127 /nfs/dbraw/zinc/87/51/27/984875127.db2.gz OWBIJZFYAHREIR-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@]1(O)CCN(CCO)C1)[NH+]1CCCC1 ZINC001368276872 985024598 /nfs/dbraw/zinc/02/45/98/985024598.db2.gz QLHHDZVKPRXXPA-GDBMZVCRSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCCS(C)(=O)=O ZINC001368663347 985337509 /nfs/dbraw/zinc/33/75/09/985337509.db2.gz ZIEAOSBGNPASSB-RYUDHWBXSA-N 1 3 305.444 -0.581 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001368772849 985417424 /nfs/dbraw/zinc/41/74/24/985417424.db2.gz HNJDSBUPJNDGHX-UONOGXRCSA-N 1 3 310.398 -0.070 20 0 DBADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001368881623 985537618 /nfs/dbraw/zinc/53/76/18/985537618.db2.gz PRRQHDNHPZOAGV-VXGBXAGGSA-N 1 3 324.429 -0.713 20 0 DBADHO COC[C@H](O)CN1CC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001369093791 985715942 /nfs/dbraw/zinc/71/59/42/985715942.db2.gz UNWJPPAFWSETMQ-IUODEOHRSA-N 1 3 313.442 -0.228 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CCc2cnn(C)c2)CCC1 ZINC001369323947 985886092 /nfs/dbraw/zinc/88/60/92/985886092.db2.gz NDBJMCYHMFEQGB-CQSZACIVSA-N 1 3 323.441 -0.486 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001533509239 1015189660 /nfs/dbraw/zinc/18/96/60/1015189660.db2.gz ONSDYJUMWVXHRM-JHZNUDOXSA-N 1 3 308.426 -0.179 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001533509239 1015189665 /nfs/dbraw/zinc/18/96/65/1015189665.db2.gz ONSDYJUMWVXHRM-JHZNUDOXSA-N 1 3 308.426 -0.179 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1)C1CCC1 ZINC001491026075 1015196471 /nfs/dbraw/zinc/19/64/71/1015196471.db2.gz TWKDFXNTIDJTLZ-BETUJISGSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001369484152 986205708 /nfs/dbraw/zinc/20/57/08/986205708.db2.gz OATWDYOPHVKYCB-ZIAGYGMSSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001369484152 986205722 /nfs/dbraw/zinc/20/57/22/986205722.db2.gz OATWDYOPHVKYCB-ZIAGYGMSSA-N 1 3 309.414 -0.719 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@H](N[C@H]2CCNC2=O)C2CC2)CC1 ZINC001370220138 986654727 /nfs/dbraw/zinc/65/47/27/986654727.db2.gz SABJQBUNXWWKSG-STQMWFEESA-N 1 3 308.426 -0.299 20 0 DBADHO COC[C@@H](O)CN1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001370889236 987063052 /nfs/dbraw/zinc/06/30/52/987063052.db2.gz UVHDONRYAHHYOY-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)NCC(N)=O ZINC001371365785 987328390 /nfs/dbraw/zinc/32/83/90/987328390.db2.gz RUBSKVLMZCNWFW-IINYFYTJSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@@H](CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)NCC(N)=O ZINC001371365785 987328398 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CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379061727 991313244 /nfs/dbraw/zinc/31/32/44/991313244.db2.gz VDWLMAMNLORXAD-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CO[C@H](C)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001379230650 991456574 /nfs/dbraw/zinc/45/65/74/991456574.db2.gz QNNQFHWUUJGIBQ-OLZOCXBDSA-N 1 3 301.431 -0.038 20 0 DBADHO CO[C@@H](C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001379230652 991457519 /nfs/dbraw/zinc/45/75/19/991457519.db2.gz QNNQFHWUUJGIBQ-QWHCGFSZSA-N 1 3 301.431 -0.038 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2cncc(F)c2)C1 ZINC001379284504 991517130 /nfs/dbraw/zinc/51/71/30/991517130.db2.gz IDFRFVHZNBACFX-OCCSQVGLSA-N 1 3 310.373 -0.261 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](O)CNCc2cncc(F)c2)C1 ZINC001379284504 991517141 /nfs/dbraw/zinc/51/71/41/991517141.db2.gz IDFRFVHZNBACFX-OCCSQVGLSA-N 1 3 310.373 -0.261 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001379384084 991610604 /nfs/dbraw/zinc/61/06/04/991610604.db2.gz NVZVIJUXDMTQPK-JHJVBQTASA-N 1 3 319.471 -0.144 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001379470593 991697510 /nfs/dbraw/zinc/69/75/10/991697510.db2.gz XZFNPKADCOABBT-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(=O)NC ZINC001379577748 991804261 /nfs/dbraw/zinc/80/42/61/991804261.db2.gz DRDALAOPKNVVAJ-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(=O)NC ZINC001379577748 991804266 /nfs/dbraw/zinc/80/42/66/991804266.db2.gz DRDALAOPKNVVAJ-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[NH2+]Cc2cncn2C)CCC1 ZINC001379785585 991910831 /nfs/dbraw/zinc/91/08/31/991910831.db2.gz ATCJAVPXTCFCIJ-CQSZACIVSA-N 1 3 323.441 -0.187 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cncn2C)CCC1 ZINC001379785582 991911286 /nfs/dbraw/zinc/91/12/86/991911286.db2.gz ATCJAVPXTCFCIJ-AWEZNQCLSA-N 1 3 323.441 -0.187 20 0 DBADHO CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1 ZINC001379822092 991939953 /nfs/dbraw/zinc/93/99/53/991939953.db2.gz ZCYRQQFXKSDLNL-QWHCGFSZSA-N 1 3 314.430 -0.997 20 0 DBADHO CCC[N@H+]1CCC[C@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)C1 ZINC001379822092 991939967 /nfs/dbraw/zinc/93/99/67/991939967.db2.gz ZCYRQQFXKSDLNL-QWHCGFSZSA-N 1 3 314.430 -0.997 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3C[NH2+]CCOC3)C2)nn1 ZINC001548939411 1015682835 /nfs/dbraw/zinc/68/28/35/1015682835.db2.gz SDKHNMYABFWEOI-WCQYABFASA-N 1 3 308.386 -0.864 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001380286862 992232589 /nfs/dbraw/zinc/23/25/89/992232589.db2.gz PZKKHFRUAAKFRB-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO O=C(c1[nH]nc2c1CNCC2)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001549046295 1015698121 /nfs/dbraw/zinc/69/81/21/1015698121.db2.gz SKVFPWSLDLEVSJ-LLVKDONJSA-N 1 3 304.398 -0.825 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)C2)nn1 ZINC001549047259 1015698697 /nfs/dbraw/zinc/69/86/97/1015698697.db2.gz MIGUIHKKDGVWCH-NFAWXSAZSA-N 1 3 304.398 -0.100 20 0 DBADHO NC(=O)CNC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001380498703 992334468 /nfs/dbraw/zinc/33/44/68/992334468.db2.gz BSDVJSRSJKXLNY-ZDUSSCGKSA-N 1 3 324.425 -0.932 20 0 DBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001380683250 992475922 /nfs/dbraw/zinc/47/59/22/992475922.db2.gz AUCMZFZPQNQUPX-QWHCGFSZSA-N 1 3 319.409 -0.131 20 0 DBADHO CCCN(C)CC(=O)NC1(C[NH2+][C@H](C)C(N)=O)CCOCC1 ZINC001381071010 992652471 /nfs/dbraw/zinc/65/24/71/992652471.db2.gz XLYQDARLGHXLGT-GFCCVEGCSA-N 1 3 314.430 -0.543 20 0 DBADHO CC(C)N(C)CC(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001381268799 992736109 /nfs/dbraw/zinc/73/61/09/992736109.db2.gz SCUSPYHCYDDSKS-UHFFFAOYSA-N 1 3 301.431 -0.348 20 0 DBADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C[C@@H](O)Cn2cccn2)C1 ZINC001381805739 992886413 /nfs/dbraw/zinc/88/64/13/992886413.db2.gz PECFCGJKSBMCNT-UKRRQHHQSA-N 1 3 323.441 -0.368 20 0 DBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001382030519 992961587 /nfs/dbraw/zinc/96/15/87/992961587.db2.gz IONUYQNXTCKLBU-KBPBESRZSA-N 1 3 320.437 -0.203 20 0 DBADHO CNC(=O)CN[C@H](C)CN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001382074509 992977958 /nfs/dbraw/zinc/97/79/58/992977958.db2.gz XHOZVSQVNIESHS-GFCCVEGCSA-N 1 3 324.429 -0.759 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1)N(C)C ZINC001382267352 993106830 /nfs/dbraw/zinc/10/68/30/993106830.db2.gz HUWMDBHERMFRFT-UONOGXRCSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@H](O)C[NH2+]Cc2cnn(C)c2)C1 ZINC001382423017 993235459 /nfs/dbraw/zinc/23/54/59/993235459.db2.gz INHIBJNKUSHRFN-DZGCQCFKSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382438096 993255496 /nfs/dbraw/zinc/25/54/96/993255496.db2.gz DHFHQKAGIXULHX-TZMCWYRMSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382438096 993255508 /nfs/dbraw/zinc/25/55/08/993255508.db2.gz DHFHQKAGIXULHX-TZMCWYRMSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382447094 993269017 /nfs/dbraw/zinc/26/90/17/993269017.db2.gz XAZIJZIWIQWSDL-ZFWWWQNUSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382447094 993269028 /nfs/dbraw/zinc/26/90/28/993269028.db2.gz XAZIJZIWIQWSDL-ZFWWWQNUSA-N 1 3 306.410 -0.058 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@@H](n3cc(CN)nn3)C2)C1 ZINC001550063264 1015783627 /nfs/dbraw/zinc/78/36/27/1015783627.db2.gz LPFVHVSXLQBRPZ-VNHYZAJKSA-N 1 3 322.413 -0.333 20 0 DBADHO COC[C@]1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3cnn(C)c3)C2)CCCCN1 ZINC001550068152 1015784417 /nfs/dbraw/zinc/78/44/17/1015784417.db2.gz XZZBRDOLDXUQSZ-FMKPAKJESA-N 1 3 321.425 -0.168 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC23CC[NH2+]CC3)CC1=O ZINC001550089998 1015789101 /nfs/dbraw/zinc/78/91/01/1015789101.db2.gz ZIDIPLKMLBXGPO-ZIAGYGMSSA-N 1 3 322.453 -0.098 20 0 DBADHO COC[C@@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC001550097084 1015791354 /nfs/dbraw/zinc/79/13/54/1015791354.db2.gz YLOAWOXNDDCTFB-GXTWGEPZSA-N 1 3 308.386 -0.721 20 0 DBADHO CC(C)(C(=O)N1CC[C@H](n2cc(CN)nn2)C1)N1CC[NH2+]CC1 ZINC001550097179 1015791482 /nfs/dbraw/zinc/79/14/82/1015791482.db2.gz ALQVKOVOBJDSRV-ZDUSSCGKSA-N 1 3 321.429 -0.806 20 0 DBADHO COC[C@]1(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001550096269 1015791509 /nfs/dbraw/zinc/79/15/09/1015791509.db2.gz ILJOITOWHUQZAA-JSGCOSHPSA-N 1 3 308.386 -0.864 20 0 DBADHO COC[C@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CCC[NH2+]1 ZINC001550097087 1015791620 /nfs/dbraw/zinc/79/16/20/1015791620.db2.gz YLOAWOXNDDCTFB-OCCSQVGLSA-N 1 3 308.386 -0.721 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)C2)nn1 ZINC001550096252 1015791788 /nfs/dbraw/zinc/79/17/88/1015791788.db2.gz IJJPPHZKPYSTCZ-IPYPFGDCSA-N 1 3 304.398 -0.100 20 0 DBADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2[NH3+])c1 ZINC001550112880 1015793726 /nfs/dbraw/zinc/79/37/26/1015793726.db2.gz LRYIZLLZVFSTIH-BHPKHCPMSA-N 1 3 319.409 -0.464 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)NC[C@@H]1Cc2ccccc2CN1 ZINC001550290653 1015801439 /nfs/dbraw/zinc/80/14/39/1015801439.db2.gz PHTMAQLMBFQEPD-INIZCTEOSA-N 1 3 317.437 -0.095 20 0 DBADHO O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCNC[C@@H](O)C1 ZINC001550732365 1015812395 /nfs/dbraw/zinc/81/23/95/1015812395.db2.gz SNHQMMNZVJFSSC-HIFRSBDPSA-N 1 3 304.394 -0.151 20 0 DBADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCNC[C@H](O)C1 ZINC001550753607 1015812489 /nfs/dbraw/zinc/81/24/89/1015812489.db2.gz FEROMFZJVJODDH-QWHCGFSZSA-N 1 3 312.414 -0.879 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001550734711 1015812737 /nfs/dbraw/zinc/81/27/37/1015812737.db2.gz HDNPHVRBJYKPDM-WJEHIRDRSA-N 1 3 308.426 -0.021 20 0 DBADHO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CCNC[C@@H](O)C1 ZINC001550764294 1015813314 /nfs/dbraw/zinc/81/33/14/1015813314.db2.gz MOUOXQCXOZIVLC-CHWSQXEVSA-N 1 3 312.414 -0.879 20 0 DBADHO O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCNC[C@@H](O)C1 ZINC001550758911 1015813751 /nfs/dbraw/zinc/81/37/51/1015813751.db2.gz XCNWRLUXAJYJSU-HUUCEWRRSA-N 1 3 304.394 -0.323 20 0 DBADHO O=C(N[C@H]1C[NH2+]CC2(CCOCC2)C1)N1CCNC[C@H](O)C1 ZINC001550764295 1015813855 /nfs/dbraw/zinc/81/38/55/1015813855.db2.gz MOUOXQCXOZIVLC-OLZOCXBDSA-N 1 3 312.414 -0.879 20 0 DBADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@H]1CCc2ncnn21 ZINC001492818810 1015814953 /nfs/dbraw/zinc/81/49/53/1015814953.db2.gz HNDOFURKOYBJQQ-CYBMUJFWSA-N 1 3 318.425 -0.091 20 0 DBADHO Cc1c([C@@H]2C[NH2+]C[C@H]2C(=O)NC[C@@H]2CNCCO2)cnn1C ZINC001552090023 1015839915 /nfs/dbraw/zinc/83/99/15/1015839915.db2.gz KJHKEGGNAQQQAX-FPMFFAJLSA-N 1 3 307.398 -0.864 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@@H]1COC2 ZINC001552217746 1015849886 /nfs/dbraw/zinc/84/98/86/1015849886.db2.gz IFTZGTZCYFSQLG-XPKDYRNWSA-N 1 3 309.410 -0.408 20 0 DBADHO CNC(=O)CN1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001401091150 994434670 /nfs/dbraw/zinc/43/46/70/994434670.db2.gz UOUFSQSYBMUOTH-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO O=C(NC[C@H]1CNCCO1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC001552440514 1015862219 /nfs/dbraw/zinc/86/22/19/1015862219.db2.gz CEZIDXFZIZJUHH-VXGBXAGGSA-N 1 3 308.386 -0.689 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001401149828 994454954 /nfs/dbraw/zinc/45/49/54/994454954.db2.gz WMAWDFRFZWWXEL-PWSUYJOCSA-N 1 3 307.398 -0.119 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001401248197 994495290 /nfs/dbraw/zinc/49/52/90/994495290.db2.gz SBXFVOITEFJIBP-QWRGUYRKSA-N 1 3 315.418 -0.781 20 0 DBADHO C[NH+]1CCN([C@@H]2CCN(C(=O)NCC(F)(F)CN)C2)CC1 ZINC001552954982 1015871234 /nfs/dbraw/zinc/87/12/34/1015871234.db2.gz PRBHHASAACEOLW-LLVKDONJSA-N 1 3 305.373 -0.388 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001401494473 994595138 /nfs/dbraw/zinc/59/51/38/994595138.db2.gz BJSCZXHOZZHXCK-OLZOCXBDSA-N 1 3 322.413 -0.978 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)c2)CCC1 ZINC001401544502 994631030 /nfs/dbraw/zinc/63/10/30/994631030.db2.gz FCDHSIVWHSEBDR-CYBMUJFWSA-N 1 3 309.414 -0.529 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001493250873 1015878597 /nfs/dbraw/zinc/87/85/97/1015878597.db2.gz AHFDNFLBOQPLAW-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001493250873 1015878602 /nfs/dbraw/zinc/87/86/02/1015878602.db2.gz AHFDNFLBOQPLAW-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO Cc1ncsc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401569934 994665556 /nfs/dbraw/zinc/66/55/56/994665556.db2.gz BELZKFKRCKRRFR-VXGBXAGGSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1ncsc1CNC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401569934 994665559 /nfs/dbraw/zinc/66/55/59/994665559.db2.gz BELZKFKRCKRRFR-VXGBXAGGSA-N 1 3 312.439 -0.030 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCc2ccnn2C)CC[N@@H+]1C ZINC001401574959 994669762 /nfs/dbraw/zinc/66/97/62/994669762.db2.gz RDOQHWUVMDNDBS-KCQAQPDRSA-N 1 3 323.441 -0.283 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCc2ccnn2C)CC[N@H+]1C ZINC001401574959 994669764 /nfs/dbraw/zinc/66/97/64/994669764.db2.gz RDOQHWUVMDNDBS-KCQAQPDRSA-N 1 3 323.441 -0.283 20 0 DBADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401606589 994695525 /nfs/dbraw/zinc/69/55/25/994695525.db2.gz FIOZJURXAWEZOZ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@@H]1CCN(CC)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401606589 994695529 /nfs/dbraw/zinc/69/55/29/994695529.db2.gz FIOZJURXAWEZOZ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001401618589 994705163 /nfs/dbraw/zinc/70/51/63/994705163.db2.gz MBLDONCKRRFFRY-NEPJUHHUSA-N 1 3 322.413 -0.959 20 0 DBADHO N[C@@H]1C[C@H]2CN(Cc3ccc(N4CC[NH2+]CC4)o3)CCN2C1=O ZINC001553309845 1015882910 /nfs/dbraw/zinc/88/29/10/1015882910.db2.gz JWNLFSSEPADAFI-GXTWGEPZSA-N 1 3 319.409 -0.567 20 0 DBADHO N[C@@H]1C[C@@H]2CN(Cc3ccc(N4CC[NH2+]CC4)o3)CCN2C1=O ZINC001553309848 1015883146 /nfs/dbraw/zinc/88/31/46/1015883146.db2.gz JWNLFSSEPADAFI-TZMCWYRMSA-N 1 3 319.409 -0.567 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001386102194 994748030 /nfs/dbraw/zinc/74/80/30/994748030.db2.gz DGUUYISENJCNNO-NYTXWWLZSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001386102194 994748043 /nfs/dbraw/zinc/74/80/43/994748043.db2.gz DGUUYISENJCNNO-NYTXWWLZSA-N 1 3 322.453 -0.149 20 0 DBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C ZINC001401702251 994767949 /nfs/dbraw/zinc/76/79/49/994767949.db2.gz LUBHIFIAOSEBHV-DCAQKATOSA-N 1 3 315.418 -0.735 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@H](CN[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001401853870 994830872 /nfs/dbraw/zinc/83/08/72/994830872.db2.gz YFNVAKNZIOWIJM-CHWSQXEVSA-N 1 3 308.426 -0.299 20 0 DBADHO O=C(N[C@H](CN[C@H]1CCNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001401865789 994832932 /nfs/dbraw/zinc/83/29/32/994832932.db2.gz LWGHCKKQBSPHCG-QWHCGFSZSA-N 1 3 306.410 -0.545 20 0 DBADHO Cn1nncc1CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401869570 994835171 /nfs/dbraw/zinc/83/51/71/994835171.db2.gz OJZPYEZAFOXSHZ-OCCSQVGLSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401869570 994835177 /nfs/dbraw/zinc/83/51/77/994835177.db2.gz OJZPYEZAFOXSHZ-OCCSQVGLSA-N 1 3 306.414 -0.249 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001553502494 1015896068 /nfs/dbraw/zinc/89/60/68/1015896068.db2.gz KRACISPSJGHMCK-BFHYXJOUSA-N 1 3 312.414 -0.785 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001402434794 995135534 /nfs/dbraw/zinc/13/55/34/995135534.db2.gz GNJORQMVOYUWIC-IHRRRGAJSA-N 1 3 301.431 -0.230 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)N(C)C ZINC001402587337 995200489 /nfs/dbraw/zinc/20/04/89/995200489.db2.gz 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DBADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C[C@H](O)COC)CC[N@@H+]1C ZINC001403559028 995573409 /nfs/dbraw/zinc/57/34/09/995573409.db2.gz AQZXPKJWLZOXDA-MELADBBJSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C[C@H](O)COC)CC[N@H+]1C ZINC001403559028 995573412 /nfs/dbraw/zinc/57/34/12/995573412.db2.gz AQZXPKJWLZOXDA-MELADBBJSA-N 1 3 301.431 -0.228 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001403620720 995600968 /nfs/dbraw/zinc/60/09/68/995600968.db2.gz IBPKVSWRILCCQA-QWRGUYRKSA-N 1 3 315.418 -0.654 20 0 DBADHO CO[C@H](C)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001403704643 995660161 /nfs/dbraw/zinc/66/01/61/995660161.db2.gz CIYQQKCHQQLDBH-CHWSQXEVSA-N 1 3 301.431 -0.038 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC001403725594 995674721 /nfs/dbraw/zinc/67/47/21/995674721.db2.gz UQQWRXFBJRQSCQ-QWHCGFSZSA-N 1 3 310.398 -0.246 20 0 DBADHO CCCN(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001403878888 995752446 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CN(C)C(=O)CN[C@@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001389644651 996054420 /nfs/dbraw/zinc/05/44/20/996054420.db2.gz NDFVKBKPJWEPKM-AWEZNQCLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001389684991 996069374 /nfs/dbraw/zinc/06/93/74/996069374.db2.gz GAWVBHVUAOEWPD-TZMCWYRMSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001389684991 996069377 /nfs/dbraw/zinc/06/93/77/996069377.db2.gz GAWVBHVUAOEWPD-TZMCWYRMSA-N 1 3 308.426 -0.299 20 0 DBADHO CCNC(=O)CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001389701940 996073930 /nfs/dbraw/zinc/07/39/30/996073930.db2.gz WVGLNPAPVWUDIS-CYBMUJFWSA-N 1 3 308.426 -0.297 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001389701942 996074660 /nfs/dbraw/zinc/07/46/60/996074660.db2.gz WVGLNPAPVWUDIS-ZDUSSCGKSA-N 1 3 308.426 -0.297 20 0 DBADHO CN1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001389788038 996099049 /nfs/dbraw/zinc/09/90/49/996099049.db2.gz AFZBZOQRGCCADF-KBPBESRZSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CC[NH2+]CCNS(C)(=O)=O)C(=O)[C@H]1CCCCN1C ZINC001493599998 1016003986 /nfs/dbraw/zinc/00/39/86/1016003986.db2.gz JNRMVMCEGHCKQK-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001390226838 996207854 /nfs/dbraw/zinc/20/78/54/996207854.db2.gz VVVFWFCWYCCVME-GRYWWWGRSA-N 1 3 311.426 -0.618 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@H](C)C1 ZINC001390226838 996207857 /nfs/dbraw/zinc/20/78/57/996207857.db2.gz VVVFWFCWYCCVME-GRYWWWGRSA-N 1 3 311.426 -0.618 20 0 DBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCCC1 ZINC001390501373 996280283 /nfs/dbraw/zinc/28/02/83/996280283.db2.gz BDPFXFOBOUBQCA-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H](C)N[C@@H](C)C(=O)NC(=O)NC ZINC001390502649 996282159 /nfs/dbraw/zinc/28/21/59/996282159.db2.gz DFLVOIDWLHPVQW-MNOVXSKESA-N 1 3 315.418 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996644197 /nfs/dbraw/zinc/64/41/97/996644197.db2.gz TVDYFZYQLGYPDY-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H]2CN[C@H]2CCNC2=O)CC1 ZINC001391863132 996644622 /nfs/dbraw/zinc/64/46/22/996644622.db2.gz TVDYFZYQLGYPDY-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001392277218 996773839 /nfs/dbraw/zinc/77/38/39/996773839.db2.gz AUWNANPHHZLJKB-MGPQQGTHSA-N 1 3 301.431 -0.276 20 0 DBADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392277218 996773841 /nfs/dbraw/zinc/77/38/41/996773841.db2.gz AUWNANPHHZLJKB-MGPQQGTHSA-N 1 3 301.431 -0.276 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCC(=O)NC1=O ZINC001493806479 1016068646 /nfs/dbraw/zinc/06/86/46/1016068646.db2.gz JLCBCLNFHRNZJO-STQMWFEESA-N 1 3 324.425 -0.286 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001392428562 996913137 /nfs/dbraw/zinc/91/31/37/996913137.db2.gz PACWHLFLMJWMSI-UONOGXRCSA-N 1 3 301.431 -0.180 20 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CC(C)[C@H](C(=O)NC1CN(C(=O)CN2CCCC2)C1)[NH+](C)C ZINC001398681097 999336035 /nfs/dbraw/zinc/33/60/35/999336035.db2.gz IMTWKINLVKZEJT-OAHLLOKOSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001398928018 999378869 /nfs/dbraw/zinc/37/88/69/999378869.db2.gz TVYMJOFULDPLFH-QWRGUYRKSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NCC(=O)NC(N)=O ZINC001398928018 999378871 /nfs/dbraw/zinc/37/88/71/999378871.db2.gz TVYMJOFULDPLFH-QWRGUYRKSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCOCC1 ZINC001399111110 999410723 /nfs/dbraw/zinc/41/07/23/999410723.db2.gz LSAZHJIFEMLNER-ZDUSSCGKSA-N 1 3 324.425 -0.965 20 0 DBADHO CN1CC[C@@H](N2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)C1=O ZINC001399929744 999527811 /nfs/dbraw/zinc/52/78/11/999527811.db2.gz LSFYYULOOSVQBP-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](C(N)=O)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001420893171 1000284965 /nfs/dbraw/zinc/28/49/65/1000284965.db2.gz PLPYZDYUTWJBND-OLZOCXBDSA-N 1 3 308.426 -0.216 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001421105560 1000366100 /nfs/dbraw/zinc/36/61/00/1000366100.db2.gz MEKBDLUWHLHZOR-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC1CC1 ZINC001421105544 1000366428 /nfs/dbraw/zinc/36/64/28/1000366428.db2.gz MEKBDLUWHLHZOR-KBPBESRZSA-N 1 3 308.426 -0.060 20 0 DBADHO COCCN1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001421351842 1000459197 /nfs/dbraw/zinc/45/91/97/1000459197.db2.gz QRTSSDNQONBPSN-GDBMZVCRSA-N 1 3 311.426 -0.472 20 0 DBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001421725767 1000604458 /nfs/dbraw/zinc/60/44/58/1000604458.db2.gz KZTGMABRETZGOA-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CC(=O)N1CCC1 ZINC001421725772 1000604885 /nfs/dbraw/zinc/60/48/85/1000604885.db2.gz KZTGMABRETZGOA-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001422044841 1000708741 /nfs/dbraw/zinc/70/87/41/1000708741.db2.gz IQLIGUOTXFGXJA-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001410374589 1000744880 /nfs/dbraw/zinc/74/48/80/1000744880.db2.gz ICVASWKNELAIAC-DZGCQCFKSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@H]1CCCNC1=O ZINC001410493849 1000785436 /nfs/dbraw/zinc/78/54/36/1000785436.db2.gz MRPCHSUIQJGFMI-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410579636 1000815460 /nfs/dbraw/zinc/81/54/60/1000815460.db2.gz ITBADYXJENXBSM-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410579636 1000815461 /nfs/dbraw/zinc/81/54/61/1000815461.db2.gz ITBADYXJENXBSM-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](NC[C@H](O)CNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001422367378 1000845056 /nfs/dbraw/zinc/84/50/56/1000845056.db2.gz GJGVQXWTSSEZDY-FZMZJTMJSA-N 1 3 322.409 -0.698 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001422459026 1000875197 /nfs/dbraw/zinc/87/51/97/1000875197.db2.gz MSRBLVZYXOOECE-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001410788898 1000907620 /nfs/dbraw/zinc/90/76/20/1000907620.db2.gz ORDTWNQPEJUNKV-KBPBESRZSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@H](C[NH2+]C[C@@H]1CCS(=O)(=O)C1)NC(=O)Cc1cnc[nH]1 ZINC001422569560 1000914461 /nfs/dbraw/zinc/91/44/61/1000914461.db2.gz QQIYOGWJYQWCIX-MNOVXSKESA-N 1 3 314.411 -0.519 20 0 DBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001422716803 1000981314 /nfs/dbraw/zinc/98/13/14/1000981314.db2.gz ROZFLNWSMQFDMH-WCQYABFASA-N 1 3 322.413 -0.959 20 0 DBADHO C[C@@H](CNCC(N)=O)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001422714004 1000982039 /nfs/dbraw/zinc/98/20/39/1000982039.db2.gz WXGWWFWBVYDZQH-CFVMTHIKSA-N 1 3 318.421 -0.089 20 0 DBADHO C[C@@H](CNCC(N)=O)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001422714004 1000982043 /nfs/dbraw/zinc/98/20/43/1000982043.db2.gz WXGWWFWBVYDZQH-CFVMTHIKSA-N 1 3 318.421 -0.089 20 0 DBADHO CCN1CC[C@@H](NC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001422738294 1000991419 /nfs/dbraw/zinc/99/14/19/1000991419.db2.gz YQVOAKKJEIRUTD-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001422850366 1001033691 /nfs/dbraw/zinc/03/36/91/1001033691.db2.gz GSKFFRUBRJJHKD-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001411166523 1001052265 /nfs/dbraw/zinc/05/22/65/1001052265.db2.gz DMTFZABUFHAVBI-MGPQQGTHSA-N 1 3 301.431 -0.276 20 0 DBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001411166523 1001052267 /nfs/dbraw/zinc/05/22/67/1001052267.db2.gz DMTFZABUFHAVBI-MGPQQGTHSA-N 1 3 301.431 -0.276 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO ZINC001411191051 1001069880 /nfs/dbraw/zinc/06/98/80/1001069880.db2.gz UBRLGFDQMPAPQG-CABCVRRESA-N 1 3 315.458 -0.006 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO ZINC001411191051 1001069887 /nfs/dbraw/zinc/06/98/87/1001069887.db2.gz UBRLGFDQMPAPQG-CABCVRRESA-N 1 3 315.458 -0.006 20 0 DBADHO CN(C(=O)CC[NH+](C)C)C1CC(NCCS(C)(=O)=O)C1 ZINC001411244929 1001084717 /nfs/dbraw/zinc/08/47/17/1001084717.db2.gz HORKVLFABIOMCP-UHFFFAOYSA-N 1 3 305.444 -0.438 20 0 DBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001423103256 1001118942 /nfs/dbraw/zinc/11/89/42/1001118942.db2.gz KMIHOVSVQQMHEU-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)CN1CCCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001423161987 1001141237 /nfs/dbraw/zinc/14/12/37/1001141237.db2.gz CHIHXFLORKVTAN-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCNC2=O)CC1 ZINC001423204753 1001169253 /nfs/dbraw/zinc/16/92/53/1001169253.db2.gz GNMLKIRIXROKHL-CHWSQXEVSA-N 1 3 308.426 -0.014 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@@H]2CCNC2=O)CC1 ZINC001423204753 1001169259 /nfs/dbraw/zinc/16/92/59/1001169259.db2.gz GNMLKIRIXROKHL-CHWSQXEVSA-N 1 3 308.426 -0.014 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCNC2=O)CC1 ZINC001423204761 1001169309 /nfs/dbraw/zinc/16/93/09/1001169309.db2.gz GNMLKIRIXROKHL-QWHCGFSZSA-N 1 3 308.426 -0.014 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC1(N[C@H]2CCNC2=O)CC1 ZINC001423204761 1001169316 /nfs/dbraw/zinc/16/93/16/1001169316.db2.gz GNMLKIRIXROKHL-QWHCGFSZSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001423341264 1001261600 /nfs/dbraw/zinc/26/16/00/1001261600.db2.gz KQYLSEDPIUDVKR-TZMCWYRMSA-N 1 3 320.437 -0.060 20 0 DBADHO C[C@@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)C1CC[NH+](C)CC1 ZINC001423363684 1001267433 /nfs/dbraw/zinc/26/74/33/1001267433.db2.gz VZLZBUKLVMTVPM-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)C1CC[NH+](C)CC1 ZINC001423363680 1001268278 /nfs/dbraw/zinc/26/82/78/1001268278.db2.gz VZLZBUKLVMTVPM-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC001423397196 1001279573 /nfs/dbraw/zinc/27/95/73/1001279573.db2.gz PDKLMHCFLRMHES-UONOGXRCSA-N 1 3 322.453 -0.099 20 0 DBADHO CCNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001423396397 1001279958 /nfs/dbraw/zinc/27/99/58/1001279958.db2.gz AVYHXEAMDOGZHQ-STQMWFEESA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CN[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001423396397 1001279961 /nfs/dbraw/zinc/27/99/61/1001279961.db2.gz AVYHXEAMDOGZHQ-STQMWFEESA-N 1 3 310.442 -0.099 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001423394516 1001280016 /nfs/dbraw/zinc/28/00/16/1001280016.db2.gz ASHLMNAWEQWQHC-CHWSQXEVSA-N 1 3 310.398 -0.214 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@H](NCCS(C)(=O)=O)C(C)(C)C1 ZINC001423407265 1001284835 /nfs/dbraw/zinc/28/48/35/1001284835.db2.gz WUUGZJHCTXLSSQ-LBPRGKRZSA-N 1 3 319.471 -0.191 20 0 DBADHO Cc1nc([C@@H](C)NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)n[nH]1 ZINC001423479557 1001332711 /nfs/dbraw/zinc/33/27/11/1001332711.db2.gz WQTRGTJUSKNGGC-ZYHUDNBSSA-N 1 3 312.418 -0.465 20 0 DBADHO C[C@@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423509678 1001353886 /nfs/dbraw/zinc/35/38/86/1001353886.db2.gz YLFJGQYAIRGAGI-TZMCWYRMSA-N 1 3 301.431 -0.397 20 0 DBADHO C[C@@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423509678 1001353896 /nfs/dbraw/zinc/35/38/96/1001353896.db2.gz YLFJGQYAIRGAGI-TZMCWYRMSA-N 1 3 301.431 -0.397 20 0 DBADHO C[C@@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423509676 1001354853 /nfs/dbraw/zinc/35/48/53/1001354853.db2.gz YLFJGQYAIRGAGI-OCCSQVGLSA-N 1 3 301.431 -0.397 20 0 DBADHO C[C@@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423509676 1001354859 /nfs/dbraw/zinc/35/48/59/1001354859.db2.gz YLFJGQYAIRGAGI-OCCSQVGLSA-N 1 3 301.431 -0.397 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO ZINC001423517931 1001358856 /nfs/dbraw/zinc/35/88/56/1001358856.db2.gz VFCBCSLLPUHOOK-GJZGRUSLSA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC001423517931 1001358859 /nfs/dbraw/zinc/35/88/59/1001358859.db2.gz VFCBCSLLPUHOOK-GJZGRUSLSA-N 1 3 315.458 -0.007 20 0 DBADHO CN(CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[C@H]1O ZINC001412475357 1001419324 /nfs/dbraw/zinc/41/93/24/1001419324.db2.gz DVAISQYJCAHLTN-LXTVHRRPSA-N 1 3 311.426 -0.189 20 0 DBADHO CN(CC(=O)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1CCC[C@H]1O ZINC001412475357 1001419326 /nfs/dbraw/zinc/41/93/26/1001419326.db2.gz DVAISQYJCAHLTN-LXTVHRRPSA-N 1 3 311.426 -0.189 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)N(C)C ZINC001423757786 1001423307 /nfs/dbraw/zinc/42/33/07/1001423307.db2.gz KZVDKRQDXKLXHX-DZGCQCFKSA-N 1 3 301.431 -0.492 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)N(C)C ZINC001423757786 1001423310 /nfs/dbraw/zinc/42/33/10/1001423310.db2.gz KZVDKRQDXKLXHX-DZGCQCFKSA-N 1 3 301.431 -0.492 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](CCn2cccn2)C1 ZINC001423785782 1001433674 /nfs/dbraw/zinc/43/36/74/1001433674.db2.gz BFDMCDMIEXKWEF-MRXNPFEDSA-N 1 3 323.441 -0.222 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001423785782 1001433677 /nfs/dbraw/zinc/43/36/77/1001433677.db2.gz BFDMCDMIEXKWEF-MRXNPFEDSA-N 1 3 323.441 -0.222 20 0 DBADHO C[NH+](C)CC1(C(=O)NC2(CNCC(N)=O)CCOCC2)CC1 ZINC001424427292 1001641428 /nfs/dbraw/zinc/64/14/28/1001641428.db2.gz IDKPXCQEFDBMFC-UHFFFAOYSA-N 1 3 312.414 -0.932 20 0 DBADHO C[C@@H](NCC(=O)NC(N)=O)[C@@H](C)NC(=O)CCC[NH+](C)C ZINC001424838560 1001805034 /nfs/dbraw/zinc/80/50/34/1001805034.db2.gz YRWVZVRTFDWMBG-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO COC[C@H](O)CN1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001425304673 1001908170 /nfs/dbraw/zinc/90/81/70/1001908170.db2.gz JPZBTNDONXACEB-OLZOCXBDSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N1CCC1 ZINC001495096022 1016549629 /nfs/dbraw/zinc/54/96/29/1016549629.db2.gz ZZLYWSHWCCUAIQ-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001425362061 1002015840 /nfs/dbraw/zinc/01/58/40/1002015840.db2.gz SOQCSPMISPYSIC-FQUUOJAGSA-N 1 3 310.442 -0.114 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001425362061 1002015853 /nfs/dbraw/zinc/01/58/53/1002015853.db2.gz SOQCSPMISPYSIC-FQUUOJAGSA-N 1 3 310.442 -0.114 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001425410991 1002059217 /nfs/dbraw/zinc/05/92/17/1002059217.db2.gz WTFFCELTXYWFAV-GMTAPVOTSA-N 1 3 313.402 -0.994 20 0 DBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001425569197 1002198212 /nfs/dbraw/zinc/19/82/12/1002198212.db2.gz ZAMGBRGNSIQNSG-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCN(C)C1=O ZINC001425682728 1002282254 /nfs/dbraw/zinc/28/22/54/1002282254.db2.gz PJGIJQRJNANFEF-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCn1nccc1NC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC001425802756 1002455974 /nfs/dbraw/zinc/45/59/74/1002455974.db2.gz GAGYKAQEVBJWMR-CQSZACIVSA-N 1 3 310.402 -0.367 20 0 DBADHO CN(C)CCn1nccc1NC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC001425802756 1002455986 /nfs/dbraw/zinc/45/59/86/1002455986.db2.gz GAGYKAQEVBJWMR-CQSZACIVSA-N 1 3 310.402 -0.367 20 0 DBADHO CC[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001426006132 1002612605 /nfs/dbraw/zinc/61/26/05/1002612605.db2.gz NYVGRDOMMSYEAX-VXGBXAGGSA-N 1 3 314.430 -0.857 20 0 DBADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001426039269 1002636999 /nfs/dbraw/zinc/63/69/99/1002636999.db2.gz OBWGPFJLBBLVCZ-GJZGRUSLSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001426039269 1002637007 /nfs/dbraw/zinc/63/70/07/1002637007.db2.gz OBWGPFJLBBLVCZ-GJZGRUSLSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)CN1CCCC1 ZINC001415504612 1002864587 /nfs/dbraw/zinc/86/45/87/1002864587.db2.gz HABPNVGJKKKAER-HNNXBMFYSA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCO[C@@H](C)C1 ZINC001437199994 1002881064 /nfs/dbraw/zinc/88/10/64/1002881064.db2.gz KIZVNFWBMDXYRV-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCO[C@H](C)C1 ZINC001437199991 1002881411 /nfs/dbraw/zinc/88/14/11/1002881411.db2.gz KIZVNFWBMDXYRV-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCNC1=O ZINC001437206787 1002882658 /nfs/dbraw/zinc/88/26/58/1002882658.db2.gz MSLCATKDDBYSTL-STQMWFEESA-N 1 3 311.430 -0.552 20 0 DBADHO C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)NCc1ccn(C)n1 ZINC001437258245 1002896001 /nfs/dbraw/zinc/89/60/01/1002896001.db2.gz GBWOVEBKGIMXSQ-UONOGXRCSA-N 1 3 323.441 -0.017 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC(F)(F)F ZINC001437265008 1002896847 /nfs/dbraw/zinc/89/68/47/1002896847.db2.gz XYRKXSBEGGSVRR-VHSXEESVSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC(F)(F)F ZINC001437265008 1002896848 /nfs/dbraw/zinc/89/68/48/1002896848.db2.gz XYRKXSBEGGSVRR-VHSXEESVSA-N 1 3 324.347 -0.289 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001437295665 1002908865 /nfs/dbraw/zinc/90/88/65/1002908865.db2.gz LNMDXGMIAXWISV-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001427319283 1003079778 /nfs/dbraw/zinc/07/97/78/1003079778.db2.gz QKGNORDAOPDNJJ-CQSZACIVSA-N 1 3 310.442 -0.049 20 0 DBADHO CCCN(C)CC(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001427319283 1003079793 /nfs/dbraw/zinc/07/97/93/1003079793.db2.gz QKGNORDAOPDNJJ-CQSZACIVSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(CC(=O)N1CC(CNC(=O)CC[NH+](C)C)C1)C1CCC1 ZINC001416125825 1003202501 /nfs/dbraw/zinc/20/25/01/1003202501.db2.gz IYBOKKFMZUEETB-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)CN(CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001437818598 1003236270 /nfs/dbraw/zinc/23/62/70/1003236270.db2.gz WJYCUTISFSVPCD-CQSZACIVSA-N 1 3 311.426 -0.330 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001438671715 1003583043 /nfs/dbraw/zinc/58/30/43/1003583043.db2.gz GYQAXGVRECAWNM-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001438726953 1003611348 /nfs/dbraw/zinc/61/13/48/1003611348.db2.gz ZAOHRUFBQMTARG-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001438726953 1003611356 /nfs/dbraw/zinc/61/13/56/1003611356.db2.gz ZAOHRUFBQMTARG-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(CC[N@H+](C)C[C@H](O)Cn1cccn1)C(=O)CN1CCCC1 ZINC001438939538 1003771801 /nfs/dbraw/zinc/77/18/01/1003771801.db2.gz SEMUVFQPRWDAGB-HNNXBMFYSA-N 1 3 323.441 -0.270 20 0 DBADHO CN(CC[N@@H+](C)C[C@H](O)Cn1cccn1)C(=O)CN1CCCC1 ZINC001438939538 1003771831 /nfs/dbraw/zinc/77/18/31/1003771831.db2.gz SEMUVFQPRWDAGB-HNNXBMFYSA-N 1 3 323.441 -0.270 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001438992326 1003821727 /nfs/dbraw/zinc/82/17/27/1003821727.db2.gz NNDYSWXIEQPLGZ-DZGCQCFKSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001438992326 1003821730 /nfs/dbraw/zinc/82/17/30/1003821730.db2.gz NNDYSWXIEQPLGZ-DZGCQCFKSA-N 1 3 323.441 -0.139 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]Cc2cncn2C)CCC1 ZINC001439008444 1003828321 /nfs/dbraw/zinc/82/83/21/1003828321.db2.gz XSRFMLOESSORBD-CYBMUJFWSA-N 1 3 309.414 -0.529 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)CCC1 ZINC001428448218 1003840017 /nfs/dbraw/zinc/84/00/17/1003840017.db2.gz LVEGJPOBJSIWTR-NHAGDIPZSA-N 1 3 322.453 -0.005 20 0 DBADHO Cc1nc([C@@H](C)NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001439048292 1003853402 /nfs/dbraw/zinc/85/34/02/1003853402.db2.gz OUONEMPGILMWTP-PWSUYJOCSA-N 1 3 322.413 -0.663 20 0 DBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001439239293 1003889289 /nfs/dbraw/zinc/88/92/89/1003889289.db2.gz LCZKDAQEQZPSFZ-JSGCOSHPSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001439257520 1003891545 /nfs/dbraw/zinc/89/15/45/1003891545.db2.gz LRDDHPDUAWRXMM-JTQLQIEISA-N 1 3 313.402 -0.993 20 0 DBADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001417786180 1004036985 /nfs/dbraw/zinc/03/69/85/1004036985.db2.gz DYISMMUGAFMHNJ-YRGRVCCFSA-N 1 3 308.426 -0.156 20 0 DBADHO CC(C)(C(=O)NCC1(N[C@@H]2CCNC2=O)CC1)[NH+]1CCCC1 ZINC001439633487 1004076170 /nfs/dbraw/zinc/07/61/70/1004076170.db2.gz GTCGHPOCKAGQRG-GFCCVEGCSA-N 1 3 308.426 -0.012 20 0 DBADHO NC(=O)CNC[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001439773604 1004115011 /nfs/dbraw/zinc/11/50/11/1004115011.db2.gz KQYBFFYEVXNSJB-ZDUSSCGKSA-N 1 3 308.426 -0.072 20 0 DBADHO O=C(CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)NC1CC1 ZINC001418039121 1004171150 /nfs/dbraw/zinc/17/11/50/1004171150.db2.gz DSOBUQNSNQAMLJ-LSDHHAIUSA-N 1 3 320.437 -0.203 20 0 DBADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001418045096 1004176744 /nfs/dbraw/zinc/17/67/44/1004176744.db2.gz RYKGPNPBFKXNLV-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001418045096 1004176752 /nfs/dbraw/zinc/17/67/52/1004176752.db2.gz RYKGPNPBFKXNLV-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](N[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001418044136 1004177598 /nfs/dbraw/zinc/17/75/98/1004177598.db2.gz LUOLUCXGPVNUOC-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CNC(=O)CCC[NH+](C)C)NCC(=O)N1CCOCC1 ZINC001418269082 1004307479 /nfs/dbraw/zinc/30/74/79/1004307479.db2.gz YCNNOHIBORIIDJ-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H](CNC(=O)CCC[NH+](C)C)NCC(=O)N1CCOCC1 ZINC001418269088 1004307535 /nfs/dbraw/zinc/30/75/35/1004307535.db2.gz YCNNOHIBORIIDJ-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[C@@H](N[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001418307434 1004329488 /nfs/dbraw/zinc/32/94/88/1004329488.db2.gz WJNCVQKBFJFXTO-WCQYABFASA-N 1 3 314.430 -0.545 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001418341785 1004350748 /nfs/dbraw/zinc/35/07/48/1004350748.db2.gz DOURHXMEMAUXRY-HZSPNIEDSA-N 1 3 301.431 -0.228 20 0 DBADHO CC(C)N(C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001418442228 1004391597 /nfs/dbraw/zinc/39/15/97/1004391597.db2.gz MZVXNWOMBCGROP-MNOVXSKESA-N 1 3 315.418 -0.606 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418663717 1004544354 /nfs/dbraw/zinc/54/43/54/1004544354.db2.gz XXXNMRQNIZXUSW-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001418663717 1004544360 /nfs/dbraw/zinc/54/43/60/1004544360.db2.gz XXXNMRQNIZXUSW-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)CN1CCCC1 ZINC001496307063 1016886569 /nfs/dbraw/zinc/88/65/69/1016886569.db2.gz CFIBMUPCXLDUJW-UHFFFAOYSA-N 1 3 308.426 -0.247 20 0 DBADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001418735792 1004602914 /nfs/dbraw/zinc/60/29/14/1004602914.db2.gz BLGRZTGRFSAUII-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CNC[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001418735792 1004602944 /nfs/dbraw/zinc/60/29/44/1004602944.db2.gz BLGRZTGRFSAUII-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)[C@H](C(=O)N(C)CCN[C@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001418825526 1004677561 /nfs/dbraw/zinc/67/75/61/1004677561.db2.gz IMZMBFJFPSBTCV-GHMZBOCLSA-N 1 3 315.418 -0.796 20 0 DBADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCN(C)C1=O ZINC001418937673 1004722947 /nfs/dbraw/zinc/72/29/47/1004722947.db2.gz JCTQHUWAWKGGLX-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001419412535 1004871771 /nfs/dbraw/zinc/87/17/71/1004871771.db2.gz IRLIMVYFVCXKEH-OBJOEFQTSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001419492705 1004887113 /nfs/dbraw/zinc/88/71/13/1004887113.db2.gz PKFJBWXXICPILF-UPJWGTAASA-N 1 3 317.455 -0.390 20 0 DBADHO CC[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001419524542 1004892371 /nfs/dbraw/zinc/89/23/71/1004892371.db2.gz CITJEBIKUPUMKE-MNOVXSKESA-N 1 3 315.418 -0.876 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001419529803 1004893711 /nfs/dbraw/zinc/89/37/11/1004893711.db2.gz QWGCLTOVNJOAPW-ZYHUDNBSSA-N 1 3 315.418 -0.891 20 0 DBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001419735155 1004959719 /nfs/dbraw/zinc/95/97/19/1004959719.db2.gz DESLUPFUHIAYBP-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001419914734 1005015791 /nfs/dbraw/zinc/01/57/91/1005015791.db2.gz TUWUIZSWCYMORQ-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001419913600 1005016551 /nfs/dbraw/zinc/01/65/51/1005016551.db2.gz QETPNFMPGCSKTL-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420152462 1005122493 /nfs/dbraw/zinc/12/24/93/1005122493.db2.gz CFTKVDFYFJMKEO-CQSZACIVSA-N 1 3 323.441 -0.139 20 0 DBADHO CN1CCC[C@@H](NC[C@@H](O)CNC(=O)CCC[NH+](C)C)C1=O ZINC001420161883 1005127813 /nfs/dbraw/zinc/12/78/13/1005127813.db2.gz YEDLJNFXRJGASH-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CN1CCC[C@@H](NC[C@H](O)CNC(=O)CCC[NH+](C)C)C1=O ZINC001420161886 1005128066 /nfs/dbraw/zinc/12/80/66/1005128066.db2.gz YEDLJNFXRJGASH-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2ccccn2)C1 ZINC001420185121 1005140640 /nfs/dbraw/zinc/14/06/40/1005140640.db2.gz CIHCVIOTVPPEJB-HIFRSBDPSA-N 1 3 306.410 -0.010 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H](O)CNCc2ccccn2)C1 ZINC001420185121 1005140645 /nfs/dbraw/zinc/14/06/45/1005140645.db2.gz CIHCVIOTVPPEJB-HIFRSBDPSA-N 1 3 306.410 -0.010 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001420323893 1005215369 /nfs/dbraw/zinc/21/53/69/1005215369.db2.gz ZAJCHRSSUFIKQH-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCCS(C)(=O)=O)CCC2)C1 ZINC001440352286 1006069164 /nfs/dbraw/zinc/06/91/64/1006069164.db2.gz KWAGICMLHIPPIR-GFCCVEGCSA-N 1 3 317.455 -0.389 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCCS(C)(=O)=O)CCC2)C1 ZINC001440352286 1006069179 /nfs/dbraw/zinc/06/91/79/1006069179.db2.gz KWAGICMLHIPPIR-GFCCVEGCSA-N 1 3 317.455 -0.389 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001440358400 1006073289 /nfs/dbraw/zinc/07/32/89/1006073289.db2.gz RWKXZVOSUBRDJU-IHRRRGAJSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001440553078 1006194177 /nfs/dbraw/zinc/19/41/77/1006194177.db2.gz ZJLZYLGNSOHFMA-UKRRQHHQSA-N 1 3 319.421 -0.398 20 0 DBADHO COC[C@H](C)N1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001440695886 1006266949 /nfs/dbraw/zinc/26/69/49/1006266949.db2.gz GBDITYFOTBACES-ZDUSSCGKSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](NCC(N)=O)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001440839608 1006326972 /nfs/dbraw/zinc/32/69/72/1006326972.db2.gz SXMLFSALBCIEMR-GHMZBOCLSA-N 1 3 300.403 -0.935 20 0 DBADHO C[C@H](NCC(N)=O)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001440848077 1006329308 /nfs/dbraw/zinc/32/93/08/1006329308.db2.gz WMOJHYHEDFKWGR-QWRGUYRKSA-N 1 3 310.402 -0.974 20 0 DBADHO CCNC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001441228156 1006530859 /nfs/dbraw/zinc/53/08/59/1006530859.db2.gz RROMSIPASYNOKT-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@@H]1[C@H]2CN(CCNC(=O)C3CC3)C[C@H]21 ZINC001441289022 1006562680 /nfs/dbraw/zinc/56/26/80/1006562680.db2.gz SQZFTWFIMBVNRD-QKDCVEJESA-N 1 3 322.453 -0.242 20 0 DBADHO CNC(=O)CN[C@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001441310033 1006573294 /nfs/dbraw/zinc/57/32/94/1006573294.db2.gz CPHPQXCLHCFGHJ-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001441315908 1006578777 /nfs/dbraw/zinc/57/87/77/1006578777.db2.gz JBLAXNUINHSKGH-VXGBXAGGSA-N 1 3 312.414 -0.839 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001441361211 1006606040 /nfs/dbraw/zinc/60/60/40/1006606040.db2.gz WPBBRUHCKXYYMV-QWRGUYRKSA-N 1 3 313.402 -0.900 20 0 DBADHO CS(=O)(=O)CCN[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001441418741 1006637455 /nfs/dbraw/zinc/63/74/55/1006637455.db2.gz QNFNUYJBLYYWIA-HAQNSBGRSA-N 1 3 315.439 -0.636 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001441494503 1006683810 /nfs/dbraw/zinc/68/38/10/1006683810.db2.gz ZLKNHCFWKOMQQQ-WYUUTHIRSA-N 1 3 302.394 -0.223 20 0 DBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCN1CCNC1=O ZINC001441597719 1006746979 /nfs/dbraw/zinc/74/69/79/1006746979.db2.gz GACBMQQINVHACW-LLVKDONJSA-N 1 3 308.386 -0.586 20 0 DBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@H](C)C(=O)NC(N)=O ZINC001441940232 1006977302 /nfs/dbraw/zinc/97/73/02/1006977302.db2.gz ONJOYYFVFHKLJP-NXEZZACHSA-N 1 3 313.402 -0.994 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@@H]1CCCNC1=O ZINC001442042139 1007119704 /nfs/dbraw/zinc/11/97/04/1007119704.db2.gz WNQVEOWGQBKCKM-CHWSQXEVSA-N 1 3 314.430 -0.986 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)[NH+]1CCCC1 ZINC001442043743 1007130242 /nfs/dbraw/zinc/13/02/42/1007130242.db2.gz XQLJXAFMGOOMEE-JSGCOSHPSA-N 1 3 314.430 -0.999 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001442086615 1007202916 /nfs/dbraw/zinc/20/29/16/1007202916.db2.gz BAAKKATWLLXZKU-KGLIPLIRSA-N 1 3 301.431 -0.396 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001442086615 1007202938 /nfs/dbraw/zinc/20/29/38/1007202938.db2.gz BAAKKATWLLXZKU-KGLIPLIRSA-N 1 3 301.431 -0.396 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001431537697 1007583643 /nfs/dbraw/zinc/58/36/43/1007583643.db2.gz MBNASEUGTHYRFT-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001431537697 1007583653 /nfs/dbraw/zinc/58/36/53/1007583653.db2.gz MBNASEUGTHYRFT-ZIAGYGMSSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001431537683 1007584072 /nfs/dbraw/zinc/58/40/72/1007584072.db2.gz MBNASEUGTHYRFT-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001431537683 1007584081 /nfs/dbraw/zinc/58/40/81/1007584081.db2.gz MBNASEUGTHYRFT-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001432497764 1007956758 /nfs/dbraw/zinc/95/67/58/1007956758.db2.gz GMRFXIKKXJLYQH-IHRRRGAJSA-N 1 3 308.426 -0.156 20 0 DBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(=O)NC ZINC001443982357 1007980121 /nfs/dbraw/zinc/98/01/21/1007980121.db2.gz FGOPENCJPNKWEG-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(=O)NC ZINC001443982362 1007980308 /nfs/dbraw/zinc/98/03/08/1007980308.db2.gz FGOPENCJPNKWEG-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001444628144 1008199949 /nfs/dbraw/zinc/19/99/49/1008199949.db2.gz KFXMTUGILMMJFF-SNVBAGLBSA-N 1 3 313.402 -0.898 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001445180755 1008295757 /nfs/dbraw/zinc/29/57/57/1008295757.db2.gz KUIRTEGJCGQCMJ-HUUCEWRRSA-N 1 3 321.425 -0.671 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001445225884 1008310278 /nfs/dbraw/zinc/31/02/78/1008310278.db2.gz PGZSVJQRPPVWTB-AWEZNQCLSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001445225885 1008311408 /nfs/dbraw/zinc/31/14/08/1008311408.db2.gz PGZSVJQRPPVWTB-CQSZACIVSA-N 1 3 309.414 -0.671 20 0 DBADHO O=C(NC[C@@H](O)CNCc1ccns1)C12CC[NH+](CC1)C2 ZINC001445258031 1008323441 /nfs/dbraw/zinc/32/34/41/1008323441.db2.gz GJWGGADJSBUCDI-NSHDSACASA-N 1 3 310.423 -0.194 20 0 DBADHO CC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1[NH2+]CC(=O)NC ZINC001446005322 1008460213 /nfs/dbraw/zinc/46/02/13/1008460213.db2.gz GAXOFFYZZKGHRD-DGCLKSJQSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCCS(C)(=O)=O ZINC001447546926 1009156906 /nfs/dbraw/zinc/15/69/06/1009156906.db2.gz SHZXRIRXUIDAMY-QWHCGFSZSA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@@H]1NCC(=O)N(C)C ZINC001447549123 1009157384 /nfs/dbraw/zinc/15/73/84/1009157384.db2.gz UYZACMUUYQFJHB-STQMWFEESA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCCS(C)(=O)=O ZINC001447546924 1009157996 /nfs/dbraw/zinc/15/79/96/1009157996.db2.gz SHZXRIRXUIDAMY-OLZOCXBDSA-N 1 3 319.471 -0.191 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001447908505 1009387458 /nfs/dbraw/zinc/38/74/58/1009387458.db2.gz BGWDPSJLOWQDLF-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCN1CCNC1=O ZINC001448141614 1009561163 /nfs/dbraw/zinc/56/11/63/1009561163.db2.gz AHQWWOVGHAUVLF-STQMWFEESA-N 1 3 311.430 -0.600 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCN1CCNC1=O ZINC001448141614 1009561180 /nfs/dbraw/zinc/56/11/80/1009561180.db2.gz AHQWWOVGHAUVLF-STQMWFEESA-N 1 3 311.430 -0.600 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001448445772 1009776062 /nfs/dbraw/zinc/77/60/62/1009776062.db2.gz GHZOKTROSMFGLT-APIJFGDWSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001448445772 1009776073 /nfs/dbraw/zinc/77/60/73/1009776073.db2.gz GHZOKTROSMFGLT-APIJFGDWSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N[C@H](C)C(=O)N(C)C ZINC001448627018 1009829950 /nfs/dbraw/zinc/82/99/50/1009829950.db2.gz BIYUORPTTJLJHQ-VXGBXAGGSA-N 1 3 314.430 -0.328 20 0 DBADHO C[C@H](CCNC(=O)[C@H]1CNC(=O)N1)NC(=O)CCC[NH+](C)C ZINC001448625614 1009830270 /nfs/dbraw/zinc/83/02/70/1009830270.db2.gz DSSXMHYYBQWAEQ-GHMZBOCLSA-N 1 3 313.402 -0.979 20 0 DBADHO CC(C)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001448625836 1009830635 /nfs/dbraw/zinc/83/06/35/1009830635.db2.gz ACERPKRWLKDCAP-JTQLQIEISA-N 1 3 309.370 -0.243 20 0 DBADHO CCNC(=O)CN[C@H]1C[C@H](C)N(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001448999300 1010157304 /nfs/dbraw/zinc/15/73/04/1010157304.db2.gz BLGYHPXDTOSWSI-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)C1CC[NH+](C)CC1 ZINC001449143550 1010309669 /nfs/dbraw/zinc/30/96/69/1010309669.db2.gz GEIOQSZFQASDCQ-OAHLLOKOSA-N 1 3 323.441 -0.329 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449148576 1010316767 /nfs/dbraw/zinc/31/67/67/1010316767.db2.gz UNOIGMIWZLUFMF-CQSZACIVSA-N 1 3 311.430 -0.411 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC001449190723 1010355289 /nfs/dbraw/zinc/35/52/89/1010355289.db2.gz OREVUBYAFCMNJI-UONOGXRCSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[N@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H]1CCC(=O)NC1=O ZINC001479850518 1010413260 /nfs/dbraw/zinc/41/32/60/1010413260.db2.gz CREXQFYYCBVABB-CHWSQXEVSA-N 1 3 324.425 -0.286 20 0 DBADHO CC[N@@H+](CCCNC(=O)[C@H]1CCCN1C)[C@@H]1CCC(=O)NC1=O ZINC001479850518 1010413269 /nfs/dbraw/zinc/41/32/69/1010413269.db2.gz CREXQFYYCBVABB-CHWSQXEVSA-N 1 3 324.425 -0.286 20 0 DBADHO C[NH+]1CCC(C(=O)NC[C@H](N[C@H]2CCNC2=O)C2CC2)CC1 ZINC001480043049 1010512628 /nfs/dbraw/zinc/51/26/28/1010512628.db2.gz IXLGQYAXPYNQMX-KBPBESRZSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001480116014 1010540713 /nfs/dbraw/zinc/54/07/13/1010540713.db2.gz XZBYVCGZYFMCDZ-NWDGAFQWSA-N 1 3 310.398 -0.676 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001480120839 1010543155 /nfs/dbraw/zinc/54/31/55/1010543155.db2.gz XSEAPACLWZBSBL-ZDUSSCGKSA-N 1 3 324.425 -0.332 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCn3cncn3)C2)CCC1 ZINC001480142858 1010554898 /nfs/dbraw/zinc/55/48/98/1010554898.db2.gz UWYNCNCOFXHTCS-JOCQHMNTSA-N 1 3 306.414 -0.001 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCS(C)(=O)=O)C1)N(C)C ZINC001480167453 1010564472 /nfs/dbraw/zinc/56/44/72/1010564472.db2.gz OVFVKPRDPIKRNF-AVGNSLFASA-N 1 3 319.471 -0.002 20 0 DBADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001480547905 1010687088 /nfs/dbraw/zinc/68/70/88/1010687088.db2.gz FVGFTGPKSPBTDG-LBPRGKRZSA-N 1 3 319.471 -0.143 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001480623193 1010722444 /nfs/dbraw/zinc/72/24/44/1010722444.db2.gz XOKWABZERSPFGC-STQMWFEESA-N 1 3 324.425 -0.286 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001480682498 1010737656 /nfs/dbraw/zinc/73/76/56/1010737656.db2.gz GVANNHGPYIOEBE-OLZOCXBDSA-N 1 3 324.425 -0.430 20 0 DBADHO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCNCC(=O)NC(N)=O ZINC001481317472 1010889040 /nfs/dbraw/zinc/88/90/40/1010889040.db2.gz GJRCFCYDELBXEL-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001481820958 1011006990 /nfs/dbraw/zinc/00/69/90/1011006990.db2.gz RQFCDSQPOCAOKW-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@@H]1CCNC1=O ZINC001481828882 1011010993 /nfs/dbraw/zinc/01/09/93/1011010993.db2.gz HMFOJUPOOLUXBV-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)CN1CCCC1 ZINC001482365250 1011130091 /nfs/dbraw/zinc/13/00/91/1011130091.db2.gz UCFNAUWWYIQQJX-NWDGAFQWSA-N 1 3 310.398 -0.676 20 0 DBADHO COCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001482773314 1011427986 /nfs/dbraw/zinc/42/79/86/1011427986.db2.gz AAYLGSPYKFXVNS-UONOGXRCSA-N 1 3 301.431 -0.036 20 0 DBADHO COCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)N1CCCCCC1 ZINC001482773315 1011430322 /nfs/dbraw/zinc/43/03/22/1011430322.db2.gz AAYLGSPYKFXVNS-ZIAGYGMSSA-N 1 3 301.431 -0.036 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787775 1011463218 /nfs/dbraw/zinc/46/32/18/1011463218.db2.gz WUQPXEFKZRSFDH-CYBMUJFWSA-N 1 3 307.398 -0.917 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001482787757 1011464140 /nfs/dbraw/zinc/46/41/40/1011464140.db2.gz WTWGGWCQAGYZNH-CYBMUJFWSA-N 1 3 307.398 -0.917 20 0 DBADHO COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001482790609 1011466080 /nfs/dbraw/zinc/46/60/80/1011466080.db2.gz FYUARHLKKABKLP-KGLIPLIRSA-N 1 3 322.409 -0.391 20 0 DBADHO COc1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001482790609 1011466087 /nfs/dbraw/zinc/46/60/87/1011466087.db2.gz FYUARHLKKABKLP-KGLIPLIRSA-N 1 3 322.409 -0.391 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482963398 1011563984 /nfs/dbraw/zinc/56/39/84/1011563984.db2.gz KTYGEEZBXAZNQO-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482963398 1011563996 /nfs/dbraw/zinc/56/39/96/1011563996.db2.gz KTYGEEZBXAZNQO-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001453247400 1011578801 /nfs/dbraw/zinc/57/88/01/1011578801.db2.gz IDGKTYRXPAQXRG-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+]1CCC(OCC(=O)NC/C=C/CN[C@H]2CCNC2=O)CC1 ZINC001483077978 1011667628 /nfs/dbraw/zinc/66/76/28/1011667628.db2.gz WZFBJSYMFUTUJG-HSWBROFVSA-N 1 3 324.425 -0.752 20 0 DBADHO CN(CCC[NH2+]CCS(C)(=O)=O)C(=O)[C@H]1CCCN1C ZINC001483455944 1011879574 /nfs/dbraw/zinc/87/95/74/1011879574.db2.gz IXAWXHXHKXFIQI-GFCCVEGCSA-N 1 3 305.444 -0.437 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001454268355 1011895780 /nfs/dbraw/zinc/89/57/80/1011895780.db2.gz VHRIUGXKLAVDAF-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001454268355 1011895782 /nfs/dbraw/zinc/89/57/82/1011895782.db2.gz VHRIUGXKLAVDAF-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)NCC1([NH2+]CCCO)CCOCC1)N(C)C ZINC001484190462 1012345798 /nfs/dbraw/zinc/34/57/98/1012345798.db2.gz QOJDMVSYWYHLLS-CYBMUJFWSA-N 1 3 301.431 -0.036 20 0 DBADHO CCOCCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484218041 1012399765 /nfs/dbraw/zinc/39/97/65/1012399765.db2.gz XAZINNSWLJNMFQ-IIAWOOMASA-N 1 3 313.442 -0.084 20 0 DBADHO CCOCCN1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484218041 1012399777 /nfs/dbraw/zinc/39/97/77/1012399777.db2.gz XAZINNSWLJNMFQ-IIAWOOMASA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001484217035 1012402311 /nfs/dbraw/zinc/40/23/11/1012402311.db2.gz POMWJHDXOVXDHN-ZBFHGGJFSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001484217035 1012402317 /nfs/dbraw/zinc/40/23/17/1012402317.db2.gz POMWJHDXOVXDHN-ZBFHGGJFSA-N 1 3 313.442 -0.205 20 0 DBADHO CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001484346216 1012578300 /nfs/dbraw/zinc/57/83/00/1012578300.db2.gz ADMZROUXJMEARQ-NWDGAFQWSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1)C(N)=O ZINC001484680686 1012824543 /nfs/dbraw/zinc/82/45/43/1012824543.db2.gz OXUSLXMTSWNIHI-NWDGAFQWSA-N 1 3 312.414 -0.839 20 0 DBADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1)C(N)=O ZINC001484680688 1012825332 /nfs/dbraw/zinc/82/53/32/1012825332.db2.gz OXUSLXMTSWNIHI-VXGBXAGGSA-N 1 3 312.414 -0.839 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001484687723 1012829752 /nfs/dbraw/zinc/82/97/52/1012829752.db2.gz NGSBTQNODBVZPH-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO CC[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCn2cncn2)C1)N(C)C ZINC001484693443 1012832779 /nfs/dbraw/zinc/83/27/79/1012832779.db2.gz UQKIIIQLJHABBM-KGLIPLIRSA-N 1 3 324.429 -0.565 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001484839529 1012873373 /nfs/dbraw/zinc/87/33/73/1012873373.db2.gz LHKGEMWHOPIFKZ-GOEBONIOSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1 ZINC001485110685 1013001814 /nfs/dbraw/zinc/00/18/14/1013001814.db2.gz RWUWVFYOMZIMGO-UHFFFAOYSA-N 1 3 313.402 -0.994 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001496983850 1017167347 /nfs/dbraw/zinc/16/73/47/1017167347.db2.gz PTWWORGUSUMXJG-HUUCEWRRSA-N 1 3 321.425 -0.671 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496997871 1017182355 /nfs/dbraw/zinc/18/23/55/1017182355.db2.gz KHVFQEPZVRUTAP-UKRRQHHQSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001496997871 1017182359 /nfs/dbraw/zinc/18/23/59/1017182359.db2.gz KHVFQEPZVRUTAP-UKRRQHHQSA-N 1 3 323.441 -0.139 20 0 DBADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCn1cccn1)N1CCCC1 ZINC001497032028 1017209758 /nfs/dbraw/zinc/20/97/58/1017209758.db2.gz GYEBHFVVRQGJAJ-AWEZNQCLSA-N 1 3 323.441 -0.176 20 0 DBADHO O=C(NC/C=C/CN[C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001497726924 1017479333 /nfs/dbraw/zinc/47/93/33/1017479333.db2.gz KDQNFFSQNQFUFI-ZIYVKSGCSA-N 1 3 306.410 -0.377 20 0 DBADHO O=C(NC/C=C/CN[C@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001497726917 1017479945 /nfs/dbraw/zinc/47/99/45/1017479945.db2.gz KDQNFFSQNQFUFI-AORQRIRUSA-N 1 3 306.410 -0.377 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001497911911 1017544399 /nfs/dbraw/zinc/54/43/99/1017544399.db2.gz DFAMWPSVHGFJRC-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001497936632 1017552576 /nfs/dbraw/zinc/55/25/76/1017552576.db2.gz POYGJQAZWXHNCW-MNOVXSKESA-N 1 3 310.402 -0.974 20 0 DBADHO C[C@@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001498051403 1017594041 /nfs/dbraw/zinc/59/40/41/1017594041.db2.gz UTYOPQPINOYZGU-WDEREUQCSA-N 1 3 310.398 -0.630 20 0 DBADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001498054077 1017595897 /nfs/dbraw/zinc/59/58/97/1017595897.db2.gz ZKOCJWUGWNYGDM-VHSXEESVSA-N 1 3 313.402 -0.852 20 0 DBADHO CN(CCC[NH2+]CCN1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001498526276 1017822003 /nfs/dbraw/zinc/82/20/03/1017822003.db2.gz OGOHPWLFTWUMON-ZDUSSCGKSA-N 1 3 311.430 -0.456 20 0 DBADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001498588660 1017833522 /nfs/dbraw/zinc/83/35/22/1017833522.db2.gz IKMQGLUCXMNHGT-AWEZNQCLSA-N 1 3 310.442 -0.147 20 0 DBADHO CC(C)N(C)CC(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001498588660 1017833527 /nfs/dbraw/zinc/83/35/27/1017833527.db2.gz IKMQGLUCXMNHGT-AWEZNQCLSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001498641742 1017842201 /nfs/dbraw/zinc/84/22/01/1017842201.db2.gz OHCGNAZEMQIFPT-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)CC[NH+](C)C)C2)C1 ZINC001498683917 1017849201 /nfs/dbraw/zinc/84/92/01/1017849201.db2.gz BPDPDUNNDKUCKW-CYBMUJFWSA-N 1 3 310.442 -0.146 20 0 DBADHO CC(C)(C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1)N1CCCC1 ZINC001500706542 1018419831 /nfs/dbraw/zinc/41/98/31/1018419831.db2.gz IBKYVDZSDSEANB-MRXNPFEDSA-N 1 3 313.442 -0.204 20 0 DBADHO CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1)N1CCCC1 ZINC001500706542 1018419840 /nfs/dbraw/zinc/41/98/40/1018419840.db2.gz IBKYVDZSDSEANB-MRXNPFEDSA-N 1 3 313.442 -0.204 20 0 DBADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)N1CCCC1 ZINC001500706541 1018420430 /nfs/dbraw/zinc/42/04/30/1018420430.db2.gz IBKYVDZSDSEANB-INIZCTEOSA-N 1 3 313.442 -0.204 20 0 DBADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)N1CCCC1 ZINC001500706541 1018420437 /nfs/dbraw/zinc/42/04/37/1018420437.db2.gz IBKYVDZSDSEANB-INIZCTEOSA-N 1 3 313.442 -0.204 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001500756682 1018444046 /nfs/dbraw/zinc/44/40/46/1018444046.db2.gz HYOUCSITXASDHQ-CJNGLKHVSA-N 1 3 322.409 -0.150 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001500756682 1018444052 /nfs/dbraw/zinc/44/40/52/1018444052.db2.gz HYOUCSITXASDHQ-CJNGLKHVSA-N 1 3 322.409 -0.150 20 0 DBADHO COC[C@@H](O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001501647710 1018847467 /nfs/dbraw/zinc/84/74/67/1018847467.db2.gz OJWYZMRAGPALGS-GJZGRUSLSA-N 1 3 313.442 -0.082 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001502075182 1018973476 /nfs/dbraw/zinc/97/34/76/1018973476.db2.gz XCBPHODTSDFSCL-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CCCO)C2)C1 ZINC001502588403 1019099566 /nfs/dbraw/zinc/09/95/66/1019099566.db2.gz DUCMUAMTHAYPST-HOCLYGCPSA-N 1 3 313.442 -0.346 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001502748592 1019160649 /nfs/dbraw/zinc/16/06/49/1019160649.db2.gz WFAOVDXLGBBRKB-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2COCCN2)CC1 ZINC001575697168 1019684835 /nfs/dbraw/zinc/68/48/35/1019684835.db2.gz AYNNMWVUYIVFGL-HNNXBMFYSA-N 1 3 312.458 -0.103 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC(OCCC[NH2+]CCO)CC1 ZINC001506493975 1019855709 /nfs/dbraw/zinc/85/57/09/1019855709.db2.gz LIQXCWBEKMNCDV-UHFFFAOYSA-N 1 3 310.398 -0.068 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC(=O)C2=NOC3(CNC3)C2)C[C@H](C)O1 ZINC001576806825 1019893282 /nfs/dbraw/zinc/89/32/82/1019893282.db2.gz JQCBBZSJOICKRV-TXEJJXNPSA-N 1 3 310.398 -0.280 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC(=O)C2=NOC3(CNC3)C2)C[C@H](C)O1 ZINC001576806825 1019893285 /nfs/dbraw/zinc/89/32/85/1019893285.db2.gz JQCBBZSJOICKRV-TXEJJXNPSA-N 1 3 310.398 -0.280 20 0 DBADHO C[C@H](NCC(=O)N(C)C)[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506843144 1019965243 /nfs/dbraw/zinc/96/52/43/1019965243.db2.gz KCBYHDCIBOZNDR-QWHCGFSZSA-N 1 3 314.430 -0.768 20 0 DBADHO O=C(CCC[NH+]1CCCCC1)NC[C@H](O)CNCc1c[nH]nn1 ZINC001577830878 1020126325 /nfs/dbraw/zinc/12/63/25/1020126325.db2.gz LYIAOHKEUATOAL-CQSZACIVSA-N 1 3 324.429 -0.363 20 0 DBADHO O=C(N1CCC[C@@H](NCc2c[nH]nn2)C1)C12CC[NH+](CC1)C2 ZINC001577969435 1020156700 /nfs/dbraw/zinc/15/67/00/1020156700.db2.gz GSCGBWLNMWNRPB-GFCCVEGCSA-N 1 3 304.398 -0.019 20 0 DBADHO COCC[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001507193848 1020162117 /nfs/dbraw/zinc/16/21/17/1020162117.db2.gz HLSKLSSWUQNESR-ZDUSSCGKSA-N 1 3 301.431 -0.036 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]C[C@@H]2CCCOC2)CCC1 ZINC001507210233 1020190173 /nfs/dbraw/zinc/19/01/73/1020190173.db2.gz XQSQLHLHYWHUHR-UONOGXRCSA-N 1 3 313.442 -0.036 20 0 DBADHO CC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC001578223292 1020204768 /nfs/dbraw/zinc/20/47/68/1020204768.db2.gz VUUHQFYFBDIAOD-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC001578416784 1020234133 /nfs/dbraw/zinc/23/41/33/1020234133.db2.gz CLGDDGNPCGGNLQ-QWHCGFSZSA-N 1 3 313.446 -0.225 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC2([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC001578418989 1020235382 /nfs/dbraw/zinc/23/53/82/1020235382.db2.gz UMQKRUUVERHBND-CHWSQXEVSA-N 1 3 308.426 -0.345 20 0 DBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)[C@H](N)CC2CC2)cn1 ZINC001578418983 1020235425 /nfs/dbraw/zinc/23/54/25/1020235425.db2.gz UAUKMOJRGNABIV-CYBMUJFWSA-N 1 3 322.413 -0.373 20 0 DBADHO CN(C)S(=O)(=O)NCCNCc1ccc2c(c1)C[NH2+]CC2 ZINC001578421822 1020238096 /nfs/dbraw/zinc/23/80/96/1020238096.db2.gz ZWQYEHRVUVUULP-UHFFFAOYSA-N 1 3 312.439 -0.182 20 0 DBADHO CN(CC(=O)N1CCN(C(=O)C2CC2)CC1)CC1CC[NH2+]CC1 ZINC001578434697 1020239329 /nfs/dbraw/zinc/23/93/29/1020239329.db2.gz JUDBBSYMXCCUKS-UHFFFAOYSA-N 1 3 322.453 -0.001 20 0 DBADHO CN1C[C@@H]2CCN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)[C@@H]2C1 ZINC001578523593 1020256036 /nfs/dbraw/zinc/25/60/36/1020256036.db2.gz OARGFEKGHCFMKE-SGMGOOAPSA-N 1 3 304.398 -0.021 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001578528806 1020258309 /nfs/dbraw/zinc/25/83/09/1020258309.db2.gz LNPKGETWYDUETO-JHJVBQTASA-N 1 3 309.414 -0.576 20 0 DBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001578646207 1020279672 /nfs/dbraw/zinc/27/96/72/1020279672.db2.gz BZGFZYPNNPYNNM-ZIAGYGMSSA-N 1 3 314.430 -0.539 20 0 DBADHO CNC(=O)CN[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC001507443593 1020327421 /nfs/dbraw/zinc/32/74/21/1020327421.db2.gz QDBYGIHJIBXVSG-ZDUSSCGKSA-N 1 3 310.442 -0.099 20 0 DBADHO COCCN1CC[C@@H](NC(=O)CCNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC001579039649 1020355787 /nfs/dbraw/zinc/35/57/87/1020355787.db2.gz XDNBXUCXZFMUQR-OCCSQVGLSA-N 1 3 314.430 -0.687 20 0 DBADHO COC[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507485161 1020378844 /nfs/dbraw/zinc/37/88/44/1020378844.db2.gz RLLBSPJKOJGLQJ-QWHCGFSZSA-N 1 3 301.431 -0.086 20 0 DBADHO CS(=O)(=O)NC[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001579346999 1020422865 /nfs/dbraw/zinc/42/28/65/1020422865.db2.gz YIOQLXFDJYFUHF-NWDGAFQWSA-N 1 3 303.428 -0.622 20 0 DBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001507626534 1020454615 /nfs/dbraw/zinc/45/46/15/1020454615.db2.gz LEWNOBMTDOLNIP-CABCVRRESA-N 1 3 313.442 -0.274 20 0 DBADHO Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001580000692 1020620131 /nfs/dbraw/zinc/62/01/31/1020620131.db2.gz KUEXTHOXRLMKRL-CHWSQXEVSA-N 1 3 307.398 -0.450 20 0 DBADHO [NH3+]C1(C(=O)N2CCN3C[C@H](O)C[C@H]3C2)Cc2ccccc2C1 ZINC001580135730 1020655190 /nfs/dbraw/zinc/65/51/90/1020655190.db2.gz XYNKELXDMFYDHA-LSDHHAIUSA-N 1 3 301.390 -0.240 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@@H]1C(F)(F)F ZINC001580269751 1020678104 /nfs/dbraw/zinc/67/81/04/1020678104.db2.gz UOGHJUDPRBKBES-GRYCIOLGSA-N 1 3 320.359 -0.028 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CCO1 ZINC001580268812 1020678525 /nfs/dbraw/zinc/67/85/25/1020678525.db2.gz OJEKKPXLTQBXQL-UONOGXRCSA-N 1 3 312.414 -0.391 20 0 DBADHO [NH3+]CCN(CCO)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001580308358 1020688831 /nfs/dbraw/zinc/68/88/31/1020688831.db2.gz XBRXZVWHBUDOTD-ZDUSSCGKSA-N 1 3 300.403 -0.798 20 0 DBADHO [NH3+]CCn1cc(C(=O)NC[C@H]2CCN2C2CCOCC2)nn1 ZINC001580320234 1020689440 /nfs/dbraw/zinc/68/94/40/1020689440.db2.gz UUDDWEXAGGRTMG-GFCCVEGCSA-N 1 3 308.386 -0.780 20 0 DBADHO NS(=O)(=O)C1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC001580362142 1020699860 /nfs/dbraw/zinc/69/98/60/1020699860.db2.gz PZQZNRRIKHRWEM-GFCCVEGCSA-N 1 3 317.455 -0.102 20 0 DBADHO O=C(N1CC[C@H]2[C@H]1CCCN2CCO)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001580584774 1020757834 /nfs/dbraw/zinc/75/78/34/1020757834.db2.gz LRQKFWCQEUOFJJ-LJIGWXMPSA-N 1 3 323.437 -0.330 20 0 DBADHO O=C(NC[C@H]1CCN1C1CCOCC1)NC1(CCO)C[NH2+]C1 ZINC001580661192 1020776129 /nfs/dbraw/zinc/77/61/29/1020776129.db2.gz NBOSZEZZDZLQBM-CYBMUJFWSA-N 1 3 312.414 -0.737 20 0 DBADHO O=S(=O)(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CCNCC1 ZINC001580867788 1020809585 /nfs/dbraw/zinc/80/95/85/1020809585.db2.gz UIHRIOOKUQLCHP-AWEZNQCLSA-N 1 3 316.471 -0.010 20 0 DBADHO O=S(=O)(N[C@H]1CC[N@@H+](CC2CCCC2)C1)N1CCNCC1 ZINC001580867788 1020809586 /nfs/dbraw/zinc/80/95/86/1020809586.db2.gz UIHRIOOKUQLCHP-AWEZNQCLSA-N 1 3 316.471 -0.010 20 0 DBADHO C[C@H]1CN2CCN1C[C@@H]2C(=O)NCCN(C)CCC[NH+](C)C ZINC001520328872 1021588251 /nfs/dbraw/zinc/58/82/51/1021588251.db2.gz MPXDHOQYMUWERZ-LSDHHAIUSA-N 1 3 311.474 -0.626 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001526265753 1022473252 /nfs/dbraw/zinc/47/32/52/1022473252.db2.gz ISSRKKCDXMMGEI-SZOQZIPDSA-N 1 3 322.453 -0.005 20 0 DBADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC001566508644 1024229366 /nfs/dbraw/zinc/22/93/66/1024229366.db2.gz LGZNUGIQVMXJKS-STQMWFEESA-N 1 3 324.425 -0.429 20 0 DBADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC001566508644 1024229385 /nfs/dbraw/zinc/22/93/85/1024229385.db2.gz LGZNUGIQVMXJKS-STQMWFEESA-N 1 3 324.425 -0.429 20 0 DBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCC(=O)NC1=O ZINC001567058827 1024497134 /nfs/dbraw/zinc/49/71/34/1024497134.db2.gz BBDAZBIXYCRDOL-DGCLKSJQSA-N 1 3 324.425 -0.382 20 0 DBADHO CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN1C ZINC001567475133 1024719228 /nfs/dbraw/zinc/71/92/28/1024719228.db2.gz CHDNELMADBCDRQ-CHWSQXEVSA-N 1 3 317.455 -0.437 20 0 DBADHO CN(CCNCCN1CCCS1(=O)=O)C(=O)CC[NH+](C)C ZINC001567555458 1024787603 /nfs/dbraw/zinc/78/76/03/1024787603.db2.gz NWGADAJVRWZRCY-UHFFFAOYSA-N 1 3 320.459 -0.978 20 0 DBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]CCn1cncn1 ZINC001568194033 1024874669 /nfs/dbraw/zinc/87/46/69/1024874669.db2.gz PMGJOZHTPCTNFC-KGLIPLIRSA-N 1 3 308.430 -0.038 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)CC[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001568645921 1024975764 /nfs/dbraw/zinc/97/57/64/1024975764.db2.gz MOPPYAMWGPTSFJ-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568998176 1025110684 /nfs/dbraw/zinc/11/06/84/1025110684.db2.gz VSVDYYFQBWXGBR-CHWSQXEVSA-N 1 3 319.471 0.000 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001568998176 1025110691 /nfs/dbraw/zinc/11/06/91/1025110691.db2.gz VSVDYYFQBWXGBR-CHWSQXEVSA-N 1 3 319.471 0.000 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)C1CC1)NC(=O)CN1CC[C@@H](C)C1 ZINC001569080944 1025137152 /nfs/dbraw/zinc/13/71/52/1025137152.db2.gz ATPQJVKASJNNGY-OLZOCXBDSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]([NH2+]CCOCCO)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569824792 1025371350 /nfs/dbraw/zinc/37/13/50/1025371350.db2.gz UEOXMLYSIPLYQO-LSDHHAIUSA-N 1 3 313.442 -0.082 20 0 DBADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@@H]1C[C@]12CCOC2 ZINC001569949280 1025431962 /nfs/dbraw/zinc/43/19/62/1025431962.db2.gz JTPPOCPXJFPUOK-BBRMVZONSA-N 1 3 322.409 -0.211 20 0 DBADHO Cn1cc(CNCCN(CCO)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001569956065 1025442606 /nfs/dbraw/zinc/44/26/06/1025442606.db2.gz KVXUEOZARJDGPN-CQSZACIVSA-N 1 3 309.414 -0.718 20 0 DBADHO Cn1cc(CNCCN(CCO)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001569956065 1025442609 /nfs/dbraw/zinc/44/26/09/1025442609.db2.gz KVXUEOZARJDGPN-CQSZACIVSA-N 1 3 309.414 -0.718 20 0 DBADHO C[C@H](NC[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1)C(N)=O ZINC001570159510 1025503409 /nfs/dbraw/zinc/50/34/09/1025503409.db2.gz COSZHPLGAQVEBP-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]CCO)N1CCCCCC1 ZINC001571590835 1026101010 /nfs/dbraw/zinc/10/10/10/1026101010.db2.gz BCHICIOCXNGXNF-KGLIPLIRSA-N 1 3 301.431 -0.348 20 0 DBADHO C[C@H](C(=O)N(C)C[C@H](O)C[NH2+]CCO)N1CCCCCC1 ZINC001571590837 1026102395 /nfs/dbraw/zinc/10/23/95/1026102395.db2.gz BCHICIOCXNGXNF-ZIAGYGMSSA-N 1 3 301.431 -0.348 20 0 DBADHO CCN1CCN(CCNS(=O)(=O)C[C@@H]2CCCC[NH2+]2)CC1 ZINC001573777576 1026633010 /nfs/dbraw/zinc/63/30/10/1026633010.db2.gz CGIVKIONFXGKJL-AWEZNQCLSA-N 1 3 318.487 -0.315 20 0 DBADHO COCCCNC(=O)C1CC[NH+](C[C@]2(O)CCCNC2)CC1 ZINC001573978221 1026683776 /nfs/dbraw/zinc/68/37/76/1026683776.db2.gz PBYSJYRURNHSPU-INIZCTEOSA-N 1 3 313.442 -0.034 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000332208133 282182756 /nfs/dbraw/zinc/18/27/56/282182756.db2.gz VDDCPZLVKPOVTM-HZSPNIEDSA-N 1 3 308.426 -0.393 20 0 DBADHO CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418770772 529779948 /nfs/dbraw/zinc/77/99/48/529779948.db2.gz VAHZWNMXHKXUET-KGLIPLIRSA-N 1 3 313.446 -0.964 20 0 DBADHO C[NH2+]CCCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418282972 529968117 /nfs/dbraw/zinc/96/81/17/529968117.db2.gz ZGQSJTPTHFXUFJ-UHFFFAOYSA-N 1 3 313.446 -0.113 20 0 DBADHO CC[NH+]1CCC(N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000341684697 138112628 /nfs/dbraw/zinc/11/26/28/138112628.db2.gz QEHFYCAADIWVSL-INIZCTEOSA-N 1 3 324.469 -0.007 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000355182046 138139899 /nfs/dbraw/zinc/13/98/99/138139899.db2.gz POUNDGQBZKAURW-CYBMUJFWSA-N 1 3 314.430 -0.537 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000372571417 138168099 /nfs/dbraw/zinc/16/80/99/138168099.db2.gz MSBHOVTXBAZSKK-CPUCHLNUSA-N 1 3 324.469 -0.070 20 0 DBADHO CNC(=O)NC(=O)CC[N@H+](C)CCCN(C)CCN(C)C ZINC000411732875 283345358 /nfs/dbraw/zinc/34/53/58/283345358.db2.gz FDQZBTRAFPPFQV-UHFFFAOYSA-N 1 3 301.435 -0.353 20 0 DBADHO CNC(=O)NC(=O)CC[N@@H+](C)CCCN(C)CCN(C)C ZINC000411732875 283345362 /nfs/dbraw/zinc/34/53/62/283345362.db2.gz FDQZBTRAFPPFQV-UHFFFAOYSA-N 1 3 301.435 -0.353 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418467339 237361335 /nfs/dbraw/zinc/36/13/35/237361335.db2.gz IEHGEJOEOUACIZ-OLZOCXBDSA-N 1 3 311.430 -0.471 20 0 DBADHO COCC[NH2+]CCNC(=O)NC[C@H]1CCCCN1CCO ZINC000418504384 237362548 /nfs/dbraw/zinc/36/25/48/237362548.db2.gz BOOXIPOYHNVBDR-CYBMUJFWSA-N 1 3 302.419 -0.632 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)NC[C@@H]1NCCc2ccccc21 ZINC000418644506 237375826 /nfs/dbraw/zinc/37/58/26/237375826.db2.gz VJYMAAWYMOMCRQ-QEJZJMRPSA-N 1 3 304.394 -0.247 20 0 DBADHO COCCN(CCN(C)C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418642793 237375879 /nfs/dbraw/zinc/37/58/79/237375879.db2.gz UBECEPAHONHOTH-HNNXBMFYSA-N 1 3 316.446 -0.025 20 0 DBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418703394 237378703 /nfs/dbraw/zinc/37/87/03/237378703.db2.gz QNHVCHKSBIGDRH-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)n(C)n1 ZINC000130584225 283571156 /nfs/dbraw/zinc/57/11/56/283571156.db2.gz DSXWOJGZLSPHIB-UHFFFAOYSA-N 1 3 324.429 -0.381 20 0 DBADHO C[NH+]1CCC(NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000559383834 283983958 /nfs/dbraw/zinc/98/39/58/283983958.db2.gz NUNLOIGGXAJMFY-CQSZACIVSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC[NH2+]C2CC2)cn1 ZINC000563412667 284038155 /nfs/dbraw/zinc/03/81/55/284038155.db2.gz TYWOEUDRHRXJLK-UHFFFAOYSA-N 1 3 322.413 -0.359 20 0 DBADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000563616097 284044935 /nfs/dbraw/zinc/04/49/35/284044935.db2.gz XUHRVNXXZHQSKW-KKUMJFAQSA-N 1 3 310.442 -0.364 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564384919 284059768 /nfs/dbraw/zinc/05/97/68/284059768.db2.gz CSPDUVHEWXFYAH-HOTGVXAUSA-N 1 3 324.469 -0.320 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564384919 284059772 /nfs/dbraw/zinc/05/97/72/284059772.db2.gz CSPDUVHEWXFYAH-HOTGVXAUSA-N 1 3 324.469 -0.320 20 0 DBADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000564740496 284066104 /nfs/dbraw/zinc/06/61/04/284066104.db2.gz OHQUOWNCWMTYRJ-RDBSUJKOSA-N 1 3 323.441 -0.328 20 0 DBADHO C[N@H+]1CCC[C@H](CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000564740496 284066106 /nfs/dbraw/zinc/06/61/06/284066106.db2.gz OHQUOWNCWMTYRJ-RDBSUJKOSA-N 1 3 323.441 -0.328 20 0 DBADHO CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000564923458 284071966 /nfs/dbraw/zinc/07/19/66/284071966.db2.gz QCPZMEODWFSYIL-CABCVRRESA-N 1 3 313.442 -0.051 20 0 DBADHO NC[C@H]1c2ccccc2CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000565001286 284077787 /nfs/dbraw/zinc/07/77/87/284077787.db2.gz MVDHPHMAYWNEGL-CABCVRRESA-N 1 3 316.405 -0.061 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000565033560 284078616 /nfs/dbraw/zinc/07/86/16/284078616.db2.gz HPAFXEABFZZJKS-WWGRRREGSA-N 1 3 308.426 -0.203 20 0 DBADHO CCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565256186 284091345 /nfs/dbraw/zinc/09/13/45/284091345.db2.gz YOJLRBHQEUPBLL-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO CCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565256186 284091351 /nfs/dbraw/zinc/09/13/51/284091351.db2.gz YOJLRBHQEUPBLL-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565255867 284091409 /nfs/dbraw/zinc/09/14/09/284091409.db2.gz VTUHDGLZWJQDBV-RWMBFGLXSA-N 1 3 311.430 -0.330 20 0 DBADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCC1 ZINC000565255676 284091702 /nfs/dbraw/zinc/09/17/02/284091702.db2.gz SQYSFNBHAIUFAM-KBPBESRZSA-N 1 3 323.441 -0.186 20 0 DBADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CCCC1 ZINC000565255676 284091705 /nfs/dbraw/zinc/09/17/05/284091705.db2.gz SQYSFNBHAIUFAM-KBPBESRZSA-N 1 3 323.441 -0.186 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCN1CC[NH2+]CC1 ZINC000565891430 284106890 /nfs/dbraw/zinc/10/68/90/284106890.db2.gz ILNBSWHXBJPADQ-XJKCOSOUSA-N 1 3 310.442 -0.460 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCN1CC[NH2+]CC1 ZINC000565891431 284106993 /nfs/dbraw/zinc/10/69/93/284106993.db2.gz ILNBSWHXBJPADQ-ZENOOKHLSA-N 1 3 310.442 -0.460 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000643552904 374269396 /nfs/dbraw/zinc/26/93/96/374269396.db2.gz WAYIWCRHKYJXRK-BETUJISGSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCC1 ZINC000643552750 374269502 /nfs/dbraw/zinc/26/95/02/374269502.db2.gz BJKRUQKPMLZGRU-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C(C)C)N1CCN(C)CC1 ZINC000232118064 374287822 /nfs/dbraw/zinc/28/78/22/374287822.db2.gz DOYKDSIIMPBMNU-KGLIPLIRSA-N 1 3 300.447 -0.262 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1N(C)C ZINC000643591535 374289062 /nfs/dbraw/zinc/28/90/62/374289062.db2.gz GHAWMAXFNKOWIM-RFQIPJPRSA-N 1 3 308.426 -0.252 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)C[C@@H]21 ZINC000643590390 374290183 /nfs/dbraw/zinc/29/01/83/374290183.db2.gz XEVPJSQEOLMJRE-MQYQWHSLSA-N 1 3 306.410 -0.641 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000642698888 374291495 /nfs/dbraw/zinc/29/14/95/374291495.db2.gz ZICJXUIYWKNISJ-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCC1 ZINC000642698751 374293141 /nfs/dbraw/zinc/29/31/41/374293141.db2.gz LQBFONCPKJXBHC-CHWSQXEVSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000642698709 374293457 /nfs/dbraw/zinc/29/34/57/374293457.db2.gz HTAYGMNXIQFRPG-OAHLLOKOSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000624939710 374327203 /nfs/dbraw/zinc/32/72/03/374327203.db2.gz PIQSJZWKEBXEFU-OLZOCXBDSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000624939710 374327209 /nfs/dbraw/zinc/32/72/09/374327209.db2.gz PIQSJZWKEBXEFU-OLZOCXBDSA-N 1 3 311.430 -0.158 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@]2(C)CCC[NH2+]2)cn1 ZINC000121648450 374467416 /nfs/dbraw/zinc/46/74/16/374467416.db2.gz HDHLNHFQLPKVKS-HNNXBMFYSA-N 1 3 322.413 -0.359 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)N(C)C1CC1 ZINC000642773372 374514922 /nfs/dbraw/zinc/51/49/22/374514922.db2.gz UHJNVPBHPMUYJY-NTZNESFSSA-N 1 3 312.414 -0.840 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)C1CC1 ZINC000642756059 374496466 /nfs/dbraw/zinc/49/64/66/374496466.db2.gz WEYRNGRPPSGQNY-YPMHNXCESA-N 1 3 312.414 -0.839 20 0 DBADHO COCCN1CCCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000317345455 374548961 /nfs/dbraw/zinc/54/89/61/374548961.db2.gz GSNZJCGOJWRFMQ-AWEZNQCLSA-N 1 3 314.430 -0.733 20 0 DBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785686 374572055 /nfs/dbraw/zinc/57/20/55/374572055.db2.gz DFQMBQKEDFJWNZ-UONOGXRCSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000642786012 374574928 /nfs/dbraw/zinc/57/49/28/374574928.db2.gz WVQKPXPXBIBPBS-RBSFLKMASA-N 1 3 320.437 -0.203 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642786054 374575272 /nfs/dbraw/zinc/57/52/72/374575272.db2.gz ZRQPWJDUSOMBHI-MRVWCRGKSA-N 1 3 308.426 -0.299 20 0 DBADHO COCC1(C(=O)Nc2nc(N3CCNCC3)n[nH]2)CC[NH2+]CC1 ZINC000569338422 374652469 /nfs/dbraw/zinc/65/24/69/374652469.db2.gz WJEILGLSSHPKJG-UHFFFAOYSA-N 1 3 323.401 -0.831 20 0 DBADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCC[NH3+])C1 ZINC000642891463 374867921 /nfs/dbraw/zinc/86/79/21/374867921.db2.gz MRDMZVYUJAAZBB-AWEZNQCLSA-N 1 3 304.394 -0.206 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000152815967 374973783 /nfs/dbraw/zinc/97/37/83/374973783.db2.gz FLMBBLNVBAKGJX-KBPBESRZSA-N 1 3 308.426 -0.154 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000152815967 374973786 /nfs/dbraw/zinc/97/37/86/374973786.db2.gz FLMBBLNVBAKGJX-KBPBESRZSA-N 1 3 308.426 -0.154 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000152815967 374973793 /nfs/dbraw/zinc/97/37/93/374973793.db2.gz FLMBBLNVBAKGJX-KBPBESRZSA-N 1 3 308.426 -0.154 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642914723 375004338 /nfs/dbraw/zinc/00/43/38/375004338.db2.gz MTKIIUGMEQEFSC-ZDUSSCGKSA-N 1 3 317.393 -0.402 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642914722 375005552 /nfs/dbraw/zinc/00/55/52/375005552.db2.gz MTKIIUGMEQEFSC-CYBMUJFWSA-N 1 3 317.393 -0.402 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000642919131 375018269 /nfs/dbraw/zinc/01/82/69/375018269.db2.gz PAHYSSSNDSADRV-CQSZACIVSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000642918887 375018808 /nfs/dbraw/zinc/01/88/08/375018808.db2.gz GNRKKDNHJBHXJG-CQSZACIVSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@]12C[N@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@@]1(C)C(=O)NC2=O ZINC000634998487 375081154 /nfs/dbraw/zinc/08/11/54/375081154.db2.gz GGXWNWKLIRMMFU-KNXALSJPSA-N 1 3 322.409 -0.832 20 0 DBADHO C[C@]12C[N@@H+](C[C@@H]3CCCN(C(=O)CN)C3)C[C@@]1(C)C(=O)NC2=O ZINC000634998487 375081159 /nfs/dbraw/zinc/08/11/59/375081159.db2.gz GGXWNWKLIRMMFU-KNXALSJPSA-N 1 3 322.409 -0.832 20 0 DBADHO O=C(NC[C@H]1CCCN(CCN2CCOCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261862662 375136106 /nfs/dbraw/zinc/13/61/06/375136106.db2.gz KNOPTXWTHIKVMQ-HZPDHXFCSA-N 1 3 324.469 -0.101 20 0 DBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642947303 375192104 /nfs/dbraw/zinc/19/21/04/375192104.db2.gz SEMILYBWTCYXFY-CQSZACIVSA-N 1 3 319.409 -0.170 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2CC[NH2+]CC2)C1 ZINC000574907293 375401605 /nfs/dbraw/zinc/40/16/05/375401605.db2.gz RFAOBMFSYVFGTA-CYBMUJFWSA-N 1 3 310.442 -0.050 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000364602950 375653885 /nfs/dbraw/zinc/65/38/85/375653885.db2.gz QZVCUQVFDNKDFN-PBHICJAKSA-N 1 3 320.437 -0.247 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591450628 375713547 /nfs/dbraw/zinc/71/35/47/375713547.db2.gz HTHRULUISPNNPA-GXTWGEPZSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000591450628 375713551 /nfs/dbraw/zinc/71/35/51/375713551.db2.gz HTHRULUISPNNPA-GXTWGEPZSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000531297136 375910611 /nfs/dbraw/zinc/91/06/11/375910611.db2.gz UPMVVWGMUNFCDK-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000531297136 375910613 /nfs/dbraw/zinc/91/06/13/375910613.db2.gz UPMVVWGMUNFCDK-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO [NH3+][C@H]1C[C@@H]2CN(C(=O)c3cc4c(s3)CCNC4)CCN2C1=O ZINC000594877998 375963835 /nfs/dbraw/zinc/96/38/35/375963835.db2.gz AHHRLXXPIPBERZ-MNOVXSKESA-N 1 3 320.418 -0.222 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)[C@@H](C[NH3+])c3ccccc3)CCN2C1=O ZINC000594873680 375967530 /nfs/dbraw/zinc/96/75/30/375967530.db2.gz KPPWXXPRQZOQPI-IHRRRGAJSA-N 1 3 302.378 -0.501 20 0 DBADHO COC(=O)CNC(=O)CC[NH+]1CCC(N2CC[C@@H](O)C2)CC1 ZINC000595864474 376041036 /nfs/dbraw/zinc/04/10/36/376041036.db2.gz AURJJGCPUCQWBP-CYBMUJFWSA-N 1 3 313.398 -0.803 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595265815 375985498 /nfs/dbraw/zinc/98/54/98/375985498.db2.gz JECDKPGFVIVNCB-AAVRWANBSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCN2C1=O ZINC000595265815 375985505 /nfs/dbraw/zinc/98/55/05/375985505.db2.gz JECDKPGFVIVNCB-AAVRWANBSA-N 1 3 321.425 -0.433 20 0 DBADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595269617 375986713 /nfs/dbraw/zinc/98/67/13/375986713.db2.gz VFMGBEQAILPQNH-MCIONIFRSA-N 1 3 323.441 -0.186 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000595267434 375987527 /nfs/dbraw/zinc/98/75/27/375987527.db2.gz KJRIUBBMQNWLNE-QNWHQSFQSA-N 1 3 309.414 -0.672 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000595267435 375987837 /nfs/dbraw/zinc/98/78/37/375987837.db2.gz KJRIUBBMQNWLNE-UMSGYPCISA-N 1 3 309.414 -0.672 20 0 DBADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595267288 375987876 /nfs/dbraw/zinc/98/78/76/375987876.db2.gz WCPZRRLQHOZRLX-FRRDWIJNSA-N 1 3 311.430 -0.332 20 0 DBADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595267288 375987881 /nfs/dbraw/zinc/98/78/81/375987881.db2.gz WCPZRRLQHOZRLX-FRRDWIJNSA-N 1 3 311.430 -0.332 20 0 DBADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595274296 375989270 /nfs/dbraw/zinc/98/92/70/375989270.db2.gz UWOCZCTZKRXLNA-RWMBFGLXSA-N 1 3 309.414 -0.576 20 0 DBADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595274296 375989276 /nfs/dbraw/zinc/98/92/76/375989276.db2.gz UWOCZCTZKRXLNA-RWMBFGLXSA-N 1 3 309.414 -0.576 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CCN2C1=O ZINC000597441560 376132390 /nfs/dbraw/zinc/13/23/90/376132390.db2.gz JWAHEFXVSFGACU-IJLUTSLNSA-N 1 3 307.398 -0.918 20 0 DBADHO COCC[N@H+]1CCC[C@H]1CNC(=O)NCCN1CC[C@H](O)C1 ZINC000636761811 376483503 /nfs/dbraw/zinc/48/35/03/376483503.db2.gz LZPDHGOIWSALGU-KBPBESRZSA-N 1 3 314.430 -0.537 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC[C@H]1O ZINC000637266452 376763539 /nfs/dbraw/zinc/76/35/39/376763539.db2.gz YIFSIYIPFCHBNK-BFHYXJOUSA-N 1 3 316.446 -0.293 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@@H]1CCOC[C@H]1O ZINC000637266452 376763546 /nfs/dbraw/zinc/76/35/46/376763546.db2.gz YIFSIYIPFCHBNK-BFHYXJOUSA-N 1 3 316.446 -0.293 20 0 DBADHO CCN1CCO[C@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000365694660 376812671 /nfs/dbraw/zinc/81/26/71/376812671.db2.gz DQZSLSUAWCRWLR-ZBFHGGJFSA-N 1 3 324.469 -0.008 20 0 DBADHO CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000365694660 376812681 /nfs/dbraw/zinc/81/26/81/376812681.db2.gz DQZSLSUAWCRWLR-ZBFHGGJFSA-N 1 3 324.469 -0.008 20 0 DBADHO CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000365694660 376812692 /nfs/dbraw/zinc/81/26/92/376812692.db2.gz DQZSLSUAWCRWLR-ZBFHGGJFSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1COCCN1C ZINC000637447859 376830381 /nfs/dbraw/zinc/83/03/81/376830381.db2.gz SBZRQKPXOLBUAU-CQSZACIVSA-N 1 3 315.462 -0.548 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337650853 376859284 /nfs/dbraw/zinc/85/92/84/376859284.db2.gz JZMJNMBZTFDYFE-TZMCWYRMSA-N 1 3 302.419 -0.681 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000262627507 377070018 /nfs/dbraw/zinc/07/00/18/377070018.db2.gz CHBPQRHYLQFBEO-UHFFFAOYSA-N 1 3 314.430 -0.765 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000531721079 377081451 /nfs/dbraw/zinc/08/14/51/377081451.db2.gz CIHHGZUUQUDRDU-UONOGXRCSA-N 1 3 308.426 -0.297 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000531721079 377081458 /nfs/dbraw/zinc/08/14/58/377081458.db2.gz CIHHGZUUQUDRDU-UONOGXRCSA-N 1 3 308.426 -0.297 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000263230911 377180542 /nfs/dbraw/zinc/18/05/42/377180542.db2.gz HZWGIPARKRKPFA-JSGCOSHPSA-N 1 3 316.471 -0.361 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCC(=O)N(C)C ZINC000607236427 377315873 /nfs/dbraw/zinc/31/58/73/377315873.db2.gz UQWHFCYKIYCTEW-UHFFFAOYSA-N 1 3 315.462 -0.010 20 0 DBADHO CC(=O)NCCCNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607233112 377306741 /nfs/dbraw/zinc/30/67/41/377306741.db2.gz WEHDNRIHEKEUKZ-UHFFFAOYSA-N 1 3 301.435 -0.353 20 0 DBADHO CN(C)C1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)Cc2ccccc2C1 ZINC000269261311 377390434 /nfs/dbraw/zinc/39/04/34/377390434.db2.gz MKCIRZAXBOCOCP-LSDHHAIUSA-N 1 3 303.406 -0.075 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NCCN1CC[NH2+]CC1 ZINC000637810349 377573367 /nfs/dbraw/zinc/57/33/67/377573367.db2.gz HATGBBSJGBJMGL-INIZCTEOSA-N 1 3 319.453 -0.533 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000637816744 377577320 /nfs/dbraw/zinc/57/73/20/377577320.db2.gz IGZFATDYMRHRCX-ZDUSSCGKSA-N 1 3 309.414 -0.702 20 0 DBADHO COC[C@@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638240543 377864563 /nfs/dbraw/zinc/86/45/63/377864563.db2.gz JZFZSILKSKUHMG-GOEBONIOSA-N 1 3 310.442 -0.349 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638277567 377866533 /nfs/dbraw/zinc/86/65/33/377866533.db2.gz CEPWZRCOQTWQLA-MRXNPFEDSA-N 1 3 312.458 -0.162 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638277566 377867010 /nfs/dbraw/zinc/86/70/10/377867010.db2.gz CEPWZRCOQTWQLA-INIZCTEOSA-N 1 3 312.458 -0.162 20 0 DBADHO COCCOCCN(C)CCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000638344393 377879442 /nfs/dbraw/zinc/87/94/42/377879442.db2.gz SHFBWXJMJWIXJL-CQSZACIVSA-N 1 3 317.430 -0.453 20 0 DBADHO CN1CCC[C@H](N2CCN(C(=O)[C@]3(C[NH3+])CCCOC3)CC2)C1 ZINC000638139921 377849974 /nfs/dbraw/zinc/84/99/74/377849974.db2.gz QJGGKLIJVVQNKA-RDJZCZTQSA-N 1 3 324.469 -0.020 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638137774 377850360 /nfs/dbraw/zinc/85/03/60/377850360.db2.gz NJUYVDBDXUYHLE-MRXNPFEDSA-N 1 3 312.458 -0.114 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000638137762 377850440 /nfs/dbraw/zinc/85/04/40/377850440.db2.gz NGSQJWZSAYYWGQ-IJEWVQPXSA-N 1 3 312.458 -0.247 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638136715 377850882 /nfs/dbraw/zinc/85/08/82/377850882.db2.gz ADDCGADAJSHGFG-HOCLYGCPSA-N 1 3 312.458 -0.103 20 0 DBADHO CN1CCN(c2ccncc2NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638136942 377851148 /nfs/dbraw/zinc/85/11/48/377851148.db2.gz CMZZZWXEHIMCDH-UHFFFAOYSA-N 1 3 318.425 -0.323 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc2c(c1)OCCNC2 ZINC000638671642 378043350 /nfs/dbraw/zinc/04/33/50/378043350.db2.gz NDASEHPZYYVAOS-CYBMUJFWSA-N 1 3 318.377 -0.025 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638672238 378043790 /nfs/dbraw/zinc/04/37/90/378043790.db2.gz CBRWYLHQCQMUHJ-OAHLLOKOSA-N 1 3 308.426 -0.121 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc2c(c1)OCCNC2 ZINC000638671643 378043846 /nfs/dbraw/zinc/04/38/46/378043846.db2.gz NDASEHPZYYVAOS-ZDUSSCGKSA-N 1 3 318.377 -0.025 20 0 DBADHO C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1COCCN1 ZINC000638613244 378026943 /nfs/dbraw/zinc/02/69/43/378026943.db2.gz UWHQWYGXTKVBAT-GJZGRUSLSA-N 1 3 306.410 -0.450 20 0 DBADHO C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1COCCN1 ZINC000638613244 378026951 /nfs/dbraw/zinc/02/69/51/378026951.db2.gz UWHQWYGXTKVBAT-GJZGRUSLSA-N 1 3 306.410 -0.450 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000332254267 378542277 /nfs/dbraw/zinc/54/22/77/378542277.db2.gz TUKLXAQQJPIIBH-MGPQQGTHSA-N 1 3 308.426 -0.108 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000332254265 378542770 /nfs/dbraw/zinc/54/27/70/378542770.db2.gz TUKLXAQQJPIIBH-BFHYXJOUSA-N 1 3 308.426 -0.108 20 0 DBADHO CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000331728631 378535605 /nfs/dbraw/zinc/53/56/05/378535605.db2.gz ZPFIWGLKPVWIOL-KBPBESRZSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000331728631 378535607 /nfs/dbraw/zinc/53/56/07/378535607.db2.gz ZPFIWGLKPVWIOL-KBPBESRZSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000353432266 378659825 /nfs/dbraw/zinc/65/98/25/378659825.db2.gz VLUMRIGPXMUCDX-MCIONIFRSA-N 1 3 308.426 -0.536 20 0 DBADHO CSCC[C@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600820 378673940 /nfs/dbraw/zinc/67/39/40/378673940.db2.gz XZWFFRLVJRCULU-NEPJUHHUSA-N 1 3 316.471 -0.230 20 0 DBADHO CSCC[C@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600820 378673941 /nfs/dbraw/zinc/67/39/41/378673941.db2.gz XZWFFRLVJRCULU-NEPJUHHUSA-N 1 3 316.471 -0.230 20 0 DBADHO CSCC[C@@H](N)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600823 378674018 /nfs/dbraw/zinc/67/40/18/378674018.db2.gz XZWFFRLVJRCULU-VXGBXAGGSA-N 1 3 316.471 -0.230 20 0 DBADHO CSCC[C@@H](N)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353600823 378674020 /nfs/dbraw/zinc/67/40/20/378674020.db2.gz XZWFFRLVJRCULU-VXGBXAGGSA-N 1 3 316.471 -0.230 20 0 DBADHO C[C@@H](CN1CCOCC1)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000356505646 378883543 /nfs/dbraw/zinc/88/35/43/378883543.db2.gz MQDGDIUGLBKKGS-HNNXBMFYSA-N 1 3 314.474 -0.046 20 0 DBADHO C[C@@H](CN1CCOCC1)C(=O)NCCC[N@@H+](C)CCN(C)C ZINC000356505646 378883546 /nfs/dbraw/zinc/88/35/46/378883546.db2.gz MQDGDIUGLBKKGS-HNNXBMFYSA-N 1 3 314.474 -0.046 20 0 DBADHO C[C@@H](CN1CCOCC1)C(=O)NCCCN(C)CC[NH+](C)C ZINC000356505646 378883552 /nfs/dbraw/zinc/88/35/52/378883552.db2.gz MQDGDIUGLBKKGS-HNNXBMFYSA-N 1 3 314.474 -0.046 20 0 DBADHO O=C(NCC1(N2CCCCC2)CCOCC1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000357924708 378978770 /nfs/dbraw/zinc/97/87/70/378978770.db2.gz IYVPNOVVNDRQFF-KBPBESRZSA-N 1 3 311.426 -0.140 20 0 DBADHO O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@H](O)CN1 ZINC000357924708 378978775 /nfs/dbraw/zinc/97/87/75/378978775.db2.gz IYVPNOVVNDRQFF-KBPBESRZSA-N 1 3 311.426 -0.140 20 0 DBADHO C[C@@H]1C[N@H+](C)CC[C@@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358151599 379008098 /nfs/dbraw/zinc/00/80/98/379008098.db2.gz JYMMVHLZEALTEN-OAGGEKHMSA-N 1 3 324.469 -0.151 20 0 DBADHO C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358151599 379008104 /nfs/dbraw/zinc/00/81/04/379008104.db2.gz JYMMVHLZEALTEN-OAGGEKHMSA-N 1 3 324.469 -0.151 20 0 DBADHO CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368644876 379549007 /nfs/dbraw/zinc/54/90/07/379549007.db2.gz YPQNQSSSIVIERW-ZIAGYGMSSA-N 1 3 314.430 -0.537 20 0 DBADHO CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000368644876 379549012 /nfs/dbraw/zinc/54/90/12/379549012.db2.gz YPQNQSSSIVIERW-ZIAGYGMSSA-N 1 3 314.430 -0.537 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582371633 379643598 /nfs/dbraw/zinc/64/35/98/379643598.db2.gz GWPAFXHQJLOZGS-BFHYXJOUSA-N 1 3 323.441 -0.186 20 0 DBADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000582371633 379643605 /nfs/dbraw/zinc/64/36/05/379643605.db2.gz GWPAFXHQJLOZGS-BFHYXJOUSA-N 1 3 323.441 -0.186 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000643453673 379645572 /nfs/dbraw/zinc/64/55/72/379645572.db2.gz QYXAUXYHZALKBI-UONOGXRCSA-N 1 3 318.487 -0.187 20 0 DBADHO O=C(C[C@@H]1CNCCO1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000374524520 379659541 /nfs/dbraw/zinc/65/95/41/379659541.db2.gz WGGRUBLYVOCZEM-MNOVXSKESA-N 1 3 324.347 -0.683 20 0 DBADHO C[C@H]([NH3+])C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000178836825 379739173 /nfs/dbraw/zinc/73/91/73/379739173.db2.gz WJWJCKBRYHGTGO-JSGCOSHPSA-N 1 3 310.442 -0.018 20 0 DBADHO COCCNCC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179853482 379742508 /nfs/dbraw/zinc/74/25/08/379742508.db2.gz FPVLTRMVXYMKQJ-ZDUSSCGKSA-N 1 3 301.431 -0.226 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000187981629 379770179 /nfs/dbraw/zinc/77/01/79/379770179.db2.gz KQYLORPRLVXNDC-QLFBSQMISA-N 1 3 312.458 -0.247 20 0 DBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478841 379921737 /nfs/dbraw/zinc/92/17/37/379921737.db2.gz LRWALXFHHVMOSS-LBPRGKRZSA-N 1 3 303.366 -0.710 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478963 379922955 /nfs/dbraw/zinc/92/29/55/379922955.db2.gz VZQZCWHRXNUSRQ-ZDUSSCGKSA-N 1 3 317.393 -0.450 20 0 DBADHO CCCN(CC)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419771010 379963880 /nfs/dbraw/zinc/96/38/80/379963880.db2.gz XNLXYXDDBZJDLI-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO Cc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC[NH3+])c1 ZINC000419818726 379973051 /nfs/dbraw/zinc/97/30/51/379973051.db2.gz OQWNKIWJYGPCAI-UHFFFAOYSA-N 1 3 306.410 -0.040 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419844797 379978933 /nfs/dbraw/zinc/97/89/33/379978933.db2.gz OPKXYPRULFHHJV-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO CCC[NH2+]CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419592755 379943463 /nfs/dbraw/zinc/94/34/63/379943463.db2.gz XATRGUVRBUTIGO-CQSZACIVSA-N 1 3 316.471 -0.344 20 0 DBADHO C[NH+](C)CCn1nccc1NC(=O)NCCN1CC[C@@H](O)C1 ZINC000626573899 379946557 /nfs/dbraw/zinc/94/65/57/379946557.db2.gz KKTWCXNGQAIDQQ-GFCCVEGCSA-N 1 3 310.402 -0.367 20 0 DBADHO CC(C)(CNC(=O)C(=O)N(CCN)CCO)C[NH+]1CCCC1 ZINC000419667740 379949275 /nfs/dbraw/zinc/94/92/75/379949275.db2.gz SNCWMDLXVTVNFQ-UHFFFAOYSA-N 1 3 314.430 -0.996 20 0 DBADHO O=C(N[C@@H]1CCN(C2CCCC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419698407 379956276 /nfs/dbraw/zinc/95/62/76/379956276.db2.gz SIJSJKLKOCMFDC-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C1CC1 ZINC000419701277 379956322 /nfs/dbraw/zinc/95/63/22/379956322.db2.gz ZEQHAAVDXKXBER-JSGCOSHPSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N[C@H]1CCN(C2CCCC2)C1 ZINC000419696213 379956502 /nfs/dbraw/zinc/95/65/02/379956502.db2.gz NVYKUUMFVMOGLS-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CC1 ZINC000419878863 379986728 /nfs/dbraw/zinc/98/67/28/379986728.db2.gz ZFECSTDIHRIMOR-KGLIPLIRSA-N 1 3 308.426 -0.073 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccc(C)o1 ZINC000419880425 379986809 /nfs/dbraw/zinc/98/68/09/379986809.db2.gz USSBZEXKPGGVQM-UHFFFAOYSA-N 1 3 310.398 -0.186 20 0 DBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419884082 379988705 /nfs/dbraw/zinc/98/87/05/379988705.db2.gz NPMQKOIQKSCFGX-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000420025699 380021026 /nfs/dbraw/zinc/02/10/26/380021026.db2.gz BLOJFCFLTZKBCC-KGLIPLIRSA-N 1 3 308.426 -0.073 20 0 DBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[NH3+])o1 ZINC000420033682 380023198 /nfs/dbraw/zinc/02/31/98/380023198.db2.gz WQYBETSDEIOXEG-NSHDSACASA-N 1 3 310.398 -0.058 20 0 DBADHO O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(=O)NC1CNC1 ZINC000572137286 380136717 /nfs/dbraw/zinc/13/67/17/380136717.db2.gz WOJKUXZIEOJRSD-CQSZACIVSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C(=O)NC1CNC1 ZINC000572137286 380136724 /nfs/dbraw/zinc/13/67/24/380136724.db2.gz WOJKUXZIEOJRSD-CQSZACIVSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NCCNc1ccncc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000572239127 380139768 /nfs/dbraw/zinc/13/97/68/380139768.db2.gz LFIUXOJQYKOBRZ-YHWZYXNKSA-N 1 3 302.378 -0.154 20 0 DBADHO CC1[C@H](C(=O)N(C)CCN(C)C)[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000611823303 380211621 /nfs/dbraw/zinc/21/16/21/380211621.db2.gz RRVSLFMGSFQPJV-KBPBESRZSA-N 1 3 312.458 -0.092 20 0 DBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N(C)CC[NH3+])o1 ZINC000423171441 380314221 /nfs/dbraw/zinc/31/42/21/380314221.db2.gz OMULSCSVUUNHPQ-UHFFFAOYSA-N 1 3 310.398 -0.105 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@H]1C[NH3+] ZINC000423216305 380316142 /nfs/dbraw/zinc/31/61/42/380316142.db2.gz RNSIAVFXAWJUDL-ZIAGYGMSSA-N 1 3 310.442 -0.016 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000423504366 380340536 /nfs/dbraw/zinc/34/05/36/380340536.db2.gz LBHVDMXGYVOPML-KBPBESRZSA-N 1 3 310.442 -0.147 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C1 ZINC000643498894 380486665 /nfs/dbraw/zinc/48/66/65/380486665.db2.gz SNNUSNOYEXEHOM-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643502881 380493307 /nfs/dbraw/zinc/49/33/07/380493307.db2.gz UMPXCBOFUMQQFG-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](N(C)C)C2)CCO1 ZINC000643505781 380503575 /nfs/dbraw/zinc/50/35/75/380503575.db2.gz NGAKIAVMHRIKCM-XQQFMLRXSA-N 1 3 312.414 -0.886 20 0 DBADHO CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C1 ZINC000643509342 380505950 /nfs/dbraw/zinc/50/59/50/380505950.db2.gz BEQMFPKXMBAIBH-XJKSGUPXSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000643516819 380543686 /nfs/dbraw/zinc/54/36/86/380543686.db2.gz YTALVQPKXOAXOB-TUVASFSCSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C[C@@H]1N(C)C ZINC000643520827 380548018 /nfs/dbraw/zinc/54/80/18/380548018.db2.gz WASZCAWXMBYFLZ-RQJABVFESA-N 1 3 308.426 -0.395 20 0 DBADHO C[NH2+]CCOCCN(C)CC(=O)NC1CCN(C2CC2)CC1 ZINC000629569788 380690170 /nfs/dbraw/zinc/69/01/70/380690170.db2.gz FSLJWTSLHASSPQ-UHFFFAOYSA-N 1 3 312.458 -0.103 20 0 DBADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000629795526 380723601 /nfs/dbraw/zinc/72/36/01/380723601.db2.gz YOZYDVFPIJTWFC-CYBMUJFWSA-N 1 3 314.430 -0.637 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000629805649 380729600 /nfs/dbraw/zinc/72/96/00/380729600.db2.gz BOROCJOMFWVTHF-CYBMUJFWSA-N 1 3 314.430 -0.637 20 0 DBADHO Cn1c2ncn(CCN[C@@H]3C[C@H]([NH3+])C3(C)C)c2c(=O)n(C)c1=O ZINC000641802111 380973525 /nfs/dbraw/zinc/97/35/25/380973525.db2.gz IDDQSUUKYMDXTI-VHSXEESVSA-N 1 3 320.397 -0.851 20 0 DBADHO Cn1c2ncn(CC[NH2+][C@@H]3C[C@H](N)C3(C)C)c2c(=O)n(C)c1=O ZINC000641802111 380973529 /nfs/dbraw/zinc/97/35/29/380973529.db2.gz IDDQSUUKYMDXTI-VHSXEESVSA-N 1 3 320.397 -0.851 20 0 DBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000642094846 380986750 /nfs/dbraw/zinc/98/67/50/380986750.db2.gz DVLDORWGQWDGQA-OCCSQVGLSA-N 1 3 306.410 -0.261 20 0 DBADHO C[C@@H](CNC(=O)NCCOCCC[NH3+])CN1CCN(C)CC1 ZINC000626986725 381050415 /nfs/dbraw/zinc/05/04/15/381050415.db2.gz LSCYVKIVBMLAJJ-AWEZNQCLSA-N 1 3 315.462 -0.466 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1CCCCN1CCO ZINC000627171337 381114480 /nfs/dbraw/zinc/11/44/80/381114480.db2.gz BVQAJFFGYWYJHE-ZDUSSCGKSA-N 1 3 302.419 -0.632 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@H]1CCCCN1CCO ZINC000627171336 381114604 /nfs/dbraw/zinc/11/46/04/381114604.db2.gz BVQAJFFGYWYJHE-CYBMUJFWSA-N 1 3 302.419 -0.632 20 0 DBADHO C[NH2+]CCOCCNC(=O)N(C)CCCN1CCN(C)CC1 ZINC000627175666 381117559 /nfs/dbraw/zinc/11/75/59/381117559.db2.gz ZULFSETZTULPMN-UHFFFAOYSA-N 1 3 315.462 -0.499 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H](O)Cc1cnn(C)c1 ZINC000530350564 381307549 /nfs/dbraw/zinc/30/75/49/381307549.db2.gz PTSJETYXFXGNAT-AWEZNQCLSA-N 1 3 311.430 -0.725 20 0 DBADHO O=C(C[C@@H]1CC[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000130677255 381409763 /nfs/dbraw/zinc/40/97/63/381409763.db2.gz NRQPWTMIYHHJBO-AWEZNQCLSA-N 1 3 308.426 -0.247 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1 ZINC000130676599 381410827 /nfs/dbraw/zinc/41/08/27/381410827.db2.gz MENBQBDMXRAPIT-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@H+](C)C1CC1 ZINC000073331393 381434742 /nfs/dbraw/zinc/43/47/42/381434742.db2.gz AXFSZQWTIGZFQQ-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@@H+](C)C1CC1 ZINC000073331393 381434750 /nfs/dbraw/zinc/43/47/50/381434750.db2.gz AXFSZQWTIGZFQQ-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000245473127 381563824 /nfs/dbraw/zinc/56/38/24/381563824.db2.gz ZYFWTNOXSZTOMK-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000245473127 381563830 /nfs/dbraw/zinc/56/38/30/381563830.db2.gz ZYFWTNOXSZTOMK-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]1CN1CCOCC1 ZINC000566017699 381635581 /nfs/dbraw/zinc/63/55/81/381635581.db2.gz IJIGBYMBLBYUJY-HOTGVXAUSA-N 1 3 315.458 -0.278 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1CN1CCOCC1 ZINC000566017699 381635586 /nfs/dbraw/zinc/63/55/86/381635586.db2.gz IJIGBYMBLBYUJY-HOTGVXAUSA-N 1 3 315.458 -0.278 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000566237995 381647626 /nfs/dbraw/zinc/64/76/26/381647626.db2.gz YOWAMLNIOJHKMG-VXGBXAGGSA-N 1 3 302.419 -0.735 20 0 DBADHO CC1CCN(C[C@@H](O)C[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000566233190 381644118 /nfs/dbraw/zinc/64/41/18/381644118.db2.gz ZCKNFONOYMYNQO-HOTGVXAUSA-N 1 3 315.458 -0.638 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NCCC[NH3+] ZINC000566215348 381645461 /nfs/dbraw/zinc/64/54/61/381645461.db2.gz WGKAVLGNSOOIRF-UHFFFAOYSA-N 1 3 303.432 -0.311 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCNc1ccncc1 ZINC000567786887 381713890 /nfs/dbraw/zinc/71/38/90/381713890.db2.gz RNRBQKHBOATPAS-CYBMUJFWSA-N 1 3 305.382 -0.710 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000573701888 381836214 /nfs/dbraw/zinc/83/62/14/381836214.db2.gz MHOUGJSQFZKSJF-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)C[C@@H]21 ZINC000572868810 381802944 /nfs/dbraw/zinc/80/29/44/381802944.db2.gz IDZZMOPFCHUZCP-AICCOOGYSA-N 1 3 320.437 -0.265 20 0 DBADHO CC(C)[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000573104242 381814656 /nfs/dbraw/zinc/81/46/56/381814656.db2.gz CTNLTIVMMFVPCK-UONOGXRCSA-N 1 3 323.441 -0.187 20 0 DBADHO COC[C@]1(C(=O)NC[C@H](O)CN2CCC(C)CC2)CC[NH2+]C1 ZINC000573203733 381818978 /nfs/dbraw/zinc/81/89/78/381818978.db2.gz UFKSXUWIKXCVIX-HOCLYGCPSA-N 1 3 313.442 -0.179 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@H+](C)C1CC1 ZINC000574466554 381865189 /nfs/dbraw/zinc/86/51/89/381865189.db2.gz LFYZHCULUMFNMB-WXHSDQCUSA-N 1 3 309.414 -0.578 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)[N@@H+](C)C1CC1 ZINC000574466554 381865193 /nfs/dbraw/zinc/86/51/93/381865193.db2.gz LFYZHCULUMFNMB-WXHSDQCUSA-N 1 3 309.414 -0.578 20 0 DBADHO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN2CCC[C@@H]2C1 ZINC000574563069 381870394 /nfs/dbraw/zinc/87/03/94/381870394.db2.gz CALHIKVQIJMHNQ-HZSPNIEDSA-N 1 3 306.410 -0.354 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000576146854 381913419 /nfs/dbraw/zinc/91/34/19/381913419.db2.gz IFILJKHEPPVULX-IGQOVBAYSA-N 1 3 308.426 -0.265 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000576234380 381915453 /nfs/dbraw/zinc/91/54/53/381915453.db2.gz ARXPVAPCMOHLNT-UHFFFAOYSA-N 1 3 314.430 -0.732 20 0 DBADHO C[NH2+]CCc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000576410236 381924541 /nfs/dbraw/zinc/92/45/41/381924541.db2.gz IFNYXHUKQJSPEP-ZFWWWQNUSA-N 1 3 316.405 -0.168 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000577600827 381964681 /nfs/dbraw/zinc/96/46/81/381964681.db2.gz NDVGHAQTQFCJOT-HZSPNIEDSA-N 1 3 308.426 -0.395 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000577530178 381965449 /nfs/dbraw/zinc/96/54/49/381965449.db2.gz AATHXPPUGUQMGK-WVWOOGAGSA-N 1 3 321.425 -0.435 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C[N@H+]1C1CC1 ZINC000577530178 381965452 /nfs/dbraw/zinc/96/54/52/381965452.db2.gz AATHXPPUGUQMGK-WVWOOGAGSA-N 1 3 321.425 -0.435 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000577600828 381966240 /nfs/dbraw/zinc/96/62/40/381966240.db2.gz NDVGHAQTQFCJOT-MJBXVCDLSA-N 1 3 308.426 -0.395 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000577734886 381972486 /nfs/dbraw/zinc/97/24/86/381972486.db2.gz OADSLOWBJTVFSS-ZBFHGGJFSA-N 1 3 312.458 -0.245 20 0 DBADHO CN(CCCC(=O)NC(N)=O)CC[N@H+](C)C1CCN(C)CC1 ZINC000180927367 382016069 /nfs/dbraw/zinc/01/60/69/382016069.db2.gz NLYMWJDTKFIQMM-UHFFFAOYSA-N 1 3 313.446 -0.081 20 0 DBADHO CN(CCCC(=O)NC(N)=O)CC[N@@H+](C)C1CCN(C)CC1 ZINC000180927367 382016075 /nfs/dbraw/zinc/01/60/75/382016075.db2.gz NLYMWJDTKFIQMM-UHFFFAOYSA-N 1 3 313.446 -0.081 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCC2)C1 ZINC000578009399 381984149 /nfs/dbraw/zinc/98/41/49/381984149.db2.gz SBMSGLBBFXHORE-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)S(=O)(=O)N1CCC[C@@H](NC2CC[NH+](C)CC2)C1 ZINC000577973274 381984916 /nfs/dbraw/zinc/98/49/16/381984916.db2.gz CHWGOSLYCSRFDE-CYBMUJFWSA-N 1 3 304.460 -0.059 20 0 DBADHO O=C(NC[C@H]1CCCCN1CCO)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000578595353 382022997 /nfs/dbraw/zinc/02/29/97/382022997.db2.gz HXJANMPPKNQLPZ-CABCVRRESA-N 1 3 310.442 -0.661 20 0 DBADHO O=C(NC[C@H]1CCCCN1CCO)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000578595353 382023003 /nfs/dbraw/zinc/02/30/03/382023003.db2.gz HXJANMPPKNQLPZ-CABCVRRESA-N 1 3 310.442 -0.661 20 0 DBADHO CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000578768075 382034442 /nfs/dbraw/zinc/03/44/42/382034442.db2.gz MSRRLYOVASOHBL-UONOGXRCSA-N 1 3 323.441 -0.328 20 0 DBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000581009632 382126277 /nfs/dbraw/zinc/12/62/77/382126277.db2.gz RJJGCABNEKIAMT-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[N@@H+]1C ZINC000581559941 382157328 /nfs/dbraw/zinc/15/73/28/382157328.db2.gz PZCFOULDWXSILG-LPWJVIDDSA-N 1 3 309.414 -0.578 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[N@H+]1C ZINC000581559941 382157334 /nfs/dbraw/zinc/15/73/34/382157334.db2.gz PZCFOULDWXSILG-LPWJVIDDSA-N 1 3 309.414 -0.578 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC3(CC[NH2+]3)CC2)CC1=O ZINC000581610522 382160855 /nfs/dbraw/zinc/16/08/55/382160855.db2.gz RJTZQLCGPMOXNF-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000642439419 382168746 /nfs/dbraw/zinc/16/87/46/382168746.db2.gz GNJJAOPGFUOSFD-QWHCGFSZSA-N 1 3 312.414 -0.837 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620481812 382449416 /nfs/dbraw/zinc/44/94/16/382449416.db2.gz XOABKLFYVFGYCG-HOTGVXAUSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000620481812 382449419 /nfs/dbraw/zinc/44/94/19/382449419.db2.gz XOABKLFYVFGYCG-HOTGVXAUSA-N 1 3 322.453 -0.566 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCN1CCOCC1 ZINC000078802674 382524117 /nfs/dbraw/zinc/52/41/17/382524117.db2.gz RNZZYWAJCLITDT-UHFFFAOYSA-N 1 3 315.462 -0.547 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCN1C ZINC000621838797 382513652 /nfs/dbraw/zinc/51/36/52/382513652.db2.gz JFRSGELUUSPAHT-OQMKEHIESA-N 1 3 308.426 -0.075 20 0 DBADHO CCN1CCC(NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621838049 382514194 /nfs/dbraw/zinc/51/41/94/382514194.db2.gz WSUAMLGLBQXCTD-BLLLJJGKSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)N(C)C1CC1 ZINC000621843466 382514926 /nfs/dbraw/zinc/51/49/26/382514926.db2.gz FWVIWMYIUAKZIU-WQGACYEGSA-N 1 3 308.426 -0.075 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)C[C@@H]21 ZINC000622031557 382539349 /nfs/dbraw/zinc/53/93/49/382539349.db2.gz PJGDSFSRBOXUKZ-LMOYCYGVSA-N 1 3 306.410 -0.511 20 0 DBADHO Nc1nc(N)nc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000624046786 382598222 /nfs/dbraw/zinc/59/82/22/382598222.db2.gz LMQQRSDGNMXDNA-GHMZBOCLSA-N 1 3 307.402 -0.702 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000642644456 382614615 /nfs/dbraw/zinc/61/46/15/382614615.db2.gz KBFPWANSFSEFPN-SOUVJXGZSA-N 1 3 322.453 -0.099 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627357440 382618039 /nfs/dbraw/zinc/61/80/39/382618039.db2.gz GOPBDHMLILXUSJ-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N(C)CCOCC[NH3+])CC1 ZINC000627357997 382618353 /nfs/dbraw/zinc/61/83/53/382618353.db2.gz WVBCBYSFWYXCFI-UHFFFAOYSA-N 1 3 314.430 -0.732 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCSC1 ZINC000627371026 382619499 /nfs/dbraw/zinc/61/94/99/382619499.db2.gz SUNMUHFGBVTVDV-MFKMUULPSA-N 1 3 300.428 -0.982 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627372685 382619524 /nfs/dbraw/zinc/61/95/24/382619524.db2.gz UJJLGMRWPLVXPG-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000627370866 382619839 /nfs/dbraw/zinc/61/98/39/382619839.db2.gz OWTDABBRTNFKNQ-MISXGVKJSA-N 1 3 314.455 -0.594 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)N(C)C1CC1 ZINC000627372197 382619925 /nfs/dbraw/zinc/61/99/25/382619925.db2.gz GBIGBLZKBPPNEO-AAEUAGOBSA-N 1 3 308.426 -0.014 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627385025 382620835 /nfs/dbraw/zinc/62/08/35/382620835.db2.gz XALJCMNHDXCGKG-CHWSQXEVSA-N 1 3 314.430 -0.672 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627393972 382622389 /nfs/dbraw/zinc/62/23/89/382622389.db2.gz RQFREOLXXISCRB-GFCCVEGCSA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000627427436 382625747 /nfs/dbraw/zinc/62/57/47/382625747.db2.gz FFQKBBGVOSEYQE-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627428724 382625777 /nfs/dbraw/zinc/62/57/77/382625777.db2.gz MXDVYDKOFLTWNW-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1 ZINC000627427435 382626035 /nfs/dbraw/zinc/62/60/35/382626035.db2.gz FFQKBBGVOSEYQE-CHWSQXEVSA-N 1 3 308.426 -0.012 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627445925 382627673 /nfs/dbraw/zinc/62/76/73/382627673.db2.gz BGZOKHSJFKKIFC-CHWSQXEVSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453796 382628363 /nfs/dbraw/zinc/62/83/63/382628363.db2.gz XPYMBRUSXSGTTE-UHFFFAOYSA-N 1 3 312.414 -0.837 20 0 DBADHO C[C@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[NH2+]1 ZINC000627478146 382631951 /nfs/dbraw/zinc/63/19/51/382631951.db2.gz IGQZCODKTLOERM-FQUUOJAGSA-N 1 3 308.426 -0.062 20 0 DBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@H]1CCCN(C)C1 ZINC000631918797 382654156 /nfs/dbraw/zinc/65/41/56/382654156.db2.gz MJJINWKEHRZYCP-GFCCVEGCSA-N 1 3 304.460 -0.154 20 0 DBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000631918655 382654362 /nfs/dbraw/zinc/65/43/62/382654362.db2.gz IVPSAOOOMIXFIK-CYBMUJFWSA-N 1 3 316.471 -0.011 20 0 DBADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)C[C@@H]2CNCCO2)CC[N@@H+]1C ZINC000631923042 382654756 /nfs/dbraw/zinc/65/47/56/382654756.db2.gz LHFQJCAYOWCQGL-AGIUHOORSA-N 1 3 305.444 -0.281 20 0 DBADHO C[C@@H]1C[C@@H](N(C)S(=O)(=O)C[C@@H]2CNCCO2)CC[N@H+]1C ZINC000631923042 382654758 /nfs/dbraw/zinc/65/47/58/382654758.db2.gz LHFQJCAYOWCQGL-AGIUHOORSA-N 1 3 305.444 -0.281 20 0 DBADHO C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631961802 382657131 /nfs/dbraw/zinc/65/71/31/382657131.db2.gz BZCOJQSMPQAVKK-YPMHNXCESA-N 1 3 304.460 -0.061 20 0 DBADHO C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631961801 382657262 /nfs/dbraw/zinc/65/72/62/382657262.db2.gz BZCOJQSMPQAVKK-WCQYABFASA-N 1 3 304.460 -0.061 20 0 DBADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H](N2CCCC2)C1 ZINC000633084626 382681505 /nfs/dbraw/zinc/68/15/05/382681505.db2.gz NYIOOSQENZOWQO-HZSPNIEDSA-N 1 3 306.410 -0.354 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)[C@@H]2CCN(C)[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000633095316 382681973 /nfs/dbraw/zinc/68/19/73/382681973.db2.gz TYAZJIICQMEITO-XJFOESAGSA-N 1 3 310.442 -0.019 20 0 DBADHO C[C@@H]1C[C@@H](N(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C ZINC000633094878 382682061 /nfs/dbraw/zinc/68/20/61/382682061.db2.gz MVEWLWIWCSSCIB-MQYQWHSLSA-N 1 3 308.426 -0.110 20 0 DBADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)C2)C1 ZINC000633115623 382683585 /nfs/dbraw/zinc/68/35/85/382683585.db2.gz VVDPOVOOBAUTRB-HEHGZKQESA-N 1 3 306.410 -0.497 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(N)=O ZINC000245198857 285280647 /nfs/dbraw/zinc/28/06/47/285280647.db2.gz SBNHKALMUOSWQF-STQMWFEESA-N 1 3 313.446 -0.082 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(N)=O ZINC000245198857 285280649 /nfs/dbraw/zinc/28/06/49/285280649.db2.gz SBNHKALMUOSWQF-STQMWFEESA-N 1 3 313.446 -0.082 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCC[N@H+](C)C2)n1 ZINC000553055500 392076117 /nfs/dbraw/zinc/07/61/17/392076117.db2.gz MHWDYIXQFQKFLZ-GFCCVEGCSA-N 1 3 323.445 -0.885 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCC[N@@H+](C)C2)n1 ZINC000553055500 392076128 /nfs/dbraw/zinc/07/61/28/392076128.db2.gz MHWDYIXQFQKFLZ-GFCCVEGCSA-N 1 3 323.445 -0.885 20 0 DBADHO C[C@@H]([NH3+])[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000649410623 392067903 /nfs/dbraw/zinc/06/79/03/392067903.db2.gz KOWDAZSXDMIXNI-IUODEOHRSA-N 1 3 310.442 -0.223 20 0 DBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN1CCCC[C@H](N)C1=O ZINC000648132066 392357878 /nfs/dbraw/zinc/35/78/78/392357878.db2.gz IMJKEJQPQJEEDG-SRVKXCTJSA-N 1 3 300.378 -0.515 20 0 DBADHO Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2C[C@H](F)CN2)cnn1C ZINC000648140839 392361205 /nfs/dbraw/zinc/36/12/05/392361205.db2.gz NAQWUZXXAZZRQD-VTPLQMEGSA-N 1 3 309.389 -0.152 20 0 DBADHO O=C([C@H]1CNCCC1(F)F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000648138206 392361244 /nfs/dbraw/zinc/36/12/44/392361244.db2.gz UMDWMRSMXDAKIZ-VXGBXAGGSA-N 1 3 302.369 -0.263 20 0 DBADHO O=C([C@H]1CNCCC1(F)F)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000648138204 392361388 /nfs/dbraw/zinc/36/13/88/392361388.db2.gz UMDWMRSMXDAKIZ-NWDGAFQWSA-N 1 3 302.369 -0.263 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NCc1ccc2c(c1)CNC2 ZINC000646990840 392396844 /nfs/dbraw/zinc/39/68/44/392396844.db2.gz CZTCQMATDRYPSQ-AWEZNQCLSA-N 1 3 302.378 -0.226 20 0 DBADHO O=C(N[C@@H]1CNCCC1(F)F)c1cn(C2CC[NH2+]CC2)nn1 ZINC000647076291 392411540 /nfs/dbraw/zinc/41/15/40/392411540.db2.gz HVMQRTLYRMYCQH-LLVKDONJSA-N 1 3 314.340 -0.070 20 0 DBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000647080750 392413674 /nfs/dbraw/zinc/41/36/74/392413674.db2.gz INYAJJGGMAISHB-OQMKEHIESA-N 1 3 310.442 -0.461 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000556721060 392423490 /nfs/dbraw/zinc/42/34/90/392423490.db2.gz ZOLWLMOVNLMWJK-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000556721060 392423495 /nfs/dbraw/zinc/42/34/95/392423495.db2.gz ZOLWLMOVNLMWJK-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419671251 392477445 /nfs/dbraw/zinc/47/74/45/392477445.db2.gz DOWXNIRGBWWSSH-OLZOCXBDSA-N 1 3 314.430 -0.543 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)COCc1nncn1C ZINC000559582035 392509638 /nfs/dbraw/zinc/50/96/38/392509638.db2.gz PZAGPGHCIYKBMW-UHFFFAOYSA-N 1 3 312.418 -0.717 20 0 DBADHO CN(C)CCOc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000164625566 392591801 /nfs/dbraw/zinc/59/18/01/392591801.db2.gz QSRKCEYMVCXTFM-DZGCQCFKSA-N 1 3 307.394 -0.034 20 0 DBADHO COc1ccccc1[C@H](N)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000647634071 392659260 /nfs/dbraw/zinc/65/92/60/392659260.db2.gz MXMHDDSBZKTHLT-DOMZBBRYSA-N 1 3 322.409 -0.089 20 0 DBADHO CCO[C@@H]1C[C@@](N)(C(=O)N(C)CCN2CC[NH2+]CC2)C1(C)C ZINC000647777153 392872458 /nfs/dbraw/zinc/87/24/58/392872458.db2.gz BJEFJEAWOHXCBD-CZUORRHYSA-N 1 3 312.458 -0.118 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+](C)C1CC1 ZINC000645263644 392929020 /nfs/dbraw/zinc/92/90/20/392929020.db2.gz SCZTZJYMMAXAQQ-LBPRGKRZSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000645263644 392929024 /nfs/dbraw/zinc/92/90/24/392929024.db2.gz SCZTZJYMMAXAQQ-LBPRGKRZSA-N 1 3 311.430 -0.158 20 0 DBADHO O=C(CN1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000647977125 393030258 /nfs/dbraw/zinc/03/02/58/393030258.db2.gz XZIAGYLSBPJKSL-ZIAGYGMSSA-N 1 3 308.426 -0.344 20 0 DBADHO [NH3+]CCNC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000417364611 393029876 /nfs/dbraw/zinc/02/98/76/393029876.db2.gz HRKFYYDUMBUFFL-UHFFFAOYSA-N 1 3 306.414 -0.148 20 0 DBADHO C[C@@H](NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)[C@H](C)[NH3+] ZINC000417419541 393043979 /nfs/dbraw/zinc/04/39/79/393043979.db2.gz DEJACLXPURKYNI-XQQFMLRXSA-N 1 3 313.446 -0.036 20 0 DBADHO CC[C@H]([NH3+])CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426547 393044146 /nfs/dbraw/zinc/04/41/46/393044146.db2.gz HAQJYPWTMQMNTA-STQMWFEESA-N 1 3 313.446 -0.034 20 0 DBADHO COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCN(CCOC)C1 ZINC000349906163 393223985 /nfs/dbraw/zinc/22/39/85/393223985.db2.gz OFMIKSNZBUMICN-CQSZACIVSA-N 1 3 316.446 -0.073 20 0 DBADHO COCCN1CC[C@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000349934261 393225187 /nfs/dbraw/zinc/22/51/87/393225187.db2.gz NUCHDHOQTYTNHU-AWEZNQCLSA-N 1 3 307.398 -0.065 20 0 DBADHO CC[NH+](CC)CCO[C@@H]1CCN(CCN2C(=O)CNC2=O)C1 ZINC000350182547 393232051 /nfs/dbraw/zinc/23/20/51/393232051.db2.gz ZVSSCDBDCNKUON-CYBMUJFWSA-N 1 3 312.414 -0.029 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000332356019 393329695 /nfs/dbraw/zinc/32/96/95/393329695.db2.gz WJWDOBIPDRXEPW-ZDUSSCGKSA-N 1 3 312.414 -0.885 20 0 DBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)C1CC1 ZINC000419112145 393543948 /nfs/dbraw/zinc/54/39/48/393543948.db2.gz UWSIHQKOMXYJCH-UBHSHLNASA-N 1 3 308.426 -0.217 20 0 DBADHO CN(C)[C@H](CNC(=O)C(=O)N(C)CC[NH3+])Cc1ccccc1 ZINC000418827586 393506569 /nfs/dbraw/zinc/50/65/69/393506569.db2.gz CIJNSXCZRAYNRB-AWEZNQCLSA-N 1 3 306.410 -0.307 20 0 DBADHO CN(C)[C@H](CNC(=O)C(=O)NCCC[NH3+])Cc1ccccc1 ZINC000418853613 393517515 /nfs/dbraw/zinc/51/75/15/393517515.db2.gz SMSAKPHXEBSVMA-AWEZNQCLSA-N 1 3 306.410 -0.260 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418853595 393517565 /nfs/dbraw/zinc/51/75/65/393517565.db2.gz SLUUGUNKBDGUPJ-ZFWWWQNUSA-N 1 3 320.437 -0.014 20 0 DBADHO C[C@@H](CN1CCCCCC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419127127 393545427 /nfs/dbraw/zinc/54/54/27/393545427.db2.gz ZPICYMCBLGPRJE-ZDUSSCGKSA-N 1 3 314.430 -0.853 20 0 DBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@H]1C ZINC000419159087 393545472 /nfs/dbraw/zinc/54/54/72/393545472.db2.gz YSLWXFVKPUHWOC-GRYCIOLGSA-N 1 3 314.430 -0.328 20 0 DBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000419022249 393533839 /nfs/dbraw/zinc/53/38/39/393533839.db2.gz HYQHSBDHVWAWBP-RFQIPJPRSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419034518 393535046 /nfs/dbraw/zinc/53/50/46/393535046.db2.gz ZWJJASJAYFULOR-OLZOCXBDSA-N 1 3 314.430 -0.997 20 0 DBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419031067 393535704 /nfs/dbraw/zinc/53/57/04/393535704.db2.gz UTOSCAFTDHXUBV-XQQFMLRXSA-N 1 3 310.442 -0.195 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCC(C)CC1 ZINC000419147302 393550045 /nfs/dbraw/zinc/55/00/45/393550045.db2.gz IIXVNMTUDIUHBQ-ZDUSSCGKSA-N 1 3 314.430 -0.997 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CCCC2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419220919 393553245 /nfs/dbraw/zinc/55/32/45/393553245.db2.gz AGAXJHWDUVNUDJ-UONOGXRCSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419220915 393553943 /nfs/dbraw/zinc/55/39/43/393553943.db2.gz AGAXJHWDUVNUDJ-KBPBESRZSA-N 1 3 308.426 -0.155 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000419404288 393573399 /nfs/dbraw/zinc/57/33/99/393573399.db2.gz FSCKSOFVNCCAKB-AWEZNQCLSA-N 1 3 310.442 -0.050 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000419415216 393575410 /nfs/dbraw/zinc/57/54/10/393575410.db2.gz UXHZAENMDWTDRZ-UHFFFAOYSA-N 1 3 314.430 -0.813 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)NCCCN1CCc2ccccc2C1 ZINC000419416430 393575495 /nfs/dbraw/zinc/57/54/95/393575495.db2.gz HCLJXLRJTAYIJT-UHFFFAOYSA-N 1 3 318.421 -0.113 20 0 DBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419371767 393569007 /nfs/dbraw/zinc/56/90/07/393569007.db2.gz JPIWLVWZZSRCRI-LBPRGKRZSA-N 1 3 318.421 -0.335 20 0 DBADHO CC[NH2+]CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419586200 393590688 /nfs/dbraw/zinc/59/06/88/393590688.db2.gz OBHXSIAQPCYAQS-ZDUSSCGKSA-N 1 3 302.444 -0.734 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)C1 ZINC000419590522 393590796 /nfs/dbraw/zinc/59/07/96/393590796.db2.gz UEASTXMMGCRVBA-SMDDNHRTSA-N 1 3 314.455 -0.640 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NCC(C)(C)[NH3+])CCSC1 ZINC000419593802 393591151 /nfs/dbraw/zinc/59/11/51/393591151.db2.gz YIEVCHHPYNOCMM-ZDUSSCGKSA-N 1 3 302.444 -0.607 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CC2)CCSC1 ZINC000419593729 393591191 /nfs/dbraw/zinc/59/11/91/393591191.db2.gz YDBRTPTXJZQIRO-RISCZKNCSA-N 1 3 314.455 -0.607 20 0 DBADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423717168 393614174 /nfs/dbraw/zinc/61/41/74/393614174.db2.gz ZBCCBRQHXSVFBG-KFWWJZLASA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@H]1C[NH3+] ZINC000423718704 393614292 /nfs/dbraw/zinc/61/42/92/393614292.db2.gz DHFQFPLBNXLVNV-MCIONIFRSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)[C@H]1CN ZINC000423717619 393614353 /nfs/dbraw/zinc/61/43/53/393614353.db2.gz BDSGQJUWFALVRX-RDBSUJKOSA-N 1 3 310.442 -0.018 20 0 DBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000423766231 393619549 /nfs/dbraw/zinc/61/95/49/393619549.db2.gz XZVLBVSBVJVVJE-HZPDHXFCSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000423766231 393619551 /nfs/dbraw/zinc/61/95/51/393619551.db2.gz XZVLBVSBVJVVJE-HZPDHXFCSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@@]1(C)C[NH3+] ZINC000423987053 393625214 /nfs/dbraw/zinc/62/52/14/393625214.db2.gz VCVKBWMCAQEZLL-XJKCOSOUSA-N 1 3 310.442 -0.160 20 0 DBADHO N[C@H]1Cc2ccccc2N(C(=O)CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000424071837 393626313 /nfs/dbraw/zinc/62/63/13/393626313.db2.gz FJEKWZRONQZNCD-QWHCGFSZSA-N 1 3 302.378 -0.229 20 0 DBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c1 ZINC000424152855 393629046 /nfs/dbraw/zinc/62/90/46/393629046.db2.gz JDKYVQVDXWHJLU-KGLIPLIRSA-N 1 3 304.394 -0.059 20 0 DBADHO C[C@H]1OCCN[C@@H]1C(=O)NC1CCC([NH+]2CCNCC2)CC1 ZINC000424207087 393633551 /nfs/dbraw/zinc/63/35/51/393633551.db2.gz XGEKJWCBPALGMR-URGYJCLVSA-N 1 3 310.442 -0.304 20 0 DBADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000424465099 393640567 /nfs/dbraw/zinc/64/05/67/393640567.db2.gz JMJJRSQJFFUVNU-MRXNPFEDSA-N 1 3 320.393 -0.425 20 0 DBADHO C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000428987749 393685321 /nfs/dbraw/zinc/68/53/21/393685321.db2.gz XQZJWDJZQUGBHE-MELADBBJSA-N 1 3 310.442 -0.099 20 0 DBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)C1 ZINC000646003251 393740195 /nfs/dbraw/zinc/74/01/95/393740195.db2.gz YCXJWXYGZJYCFX-CVEARBPZSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CNC[C@@H]3CCCO3)CC2)C1 ZINC000646003251 393740199 /nfs/dbraw/zinc/74/01/99/393740199.db2.gz YCXJWXYGZJYCFX-CVEARBPZSA-N 1 3 324.469 -0.007 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000646061822 393747843 /nfs/dbraw/zinc/74/78/43/393747843.db2.gz RZVBFMDPEVDBDX-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO [NH3+]CCOCC(=O)NCCCN1CCN(c2ccncc2)CC1 ZINC000645817400 393710847 /nfs/dbraw/zinc/71/08/47/393710847.db2.gz RXGRAGTXEBXLJZ-UHFFFAOYSA-N 1 3 321.425 -0.315 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)COCC[NH3+] ZINC000645855126 393720146 /nfs/dbraw/zinc/72/01/46/393720146.db2.gz LNMWUYHNVMJVMS-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000645904637 393727129 /nfs/dbraw/zinc/72/71/29/393727129.db2.gz CASZPXGRGHIFRE-LBPRGKRZSA-N 1 3 310.402 -0.533 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C[C@H]1N(C)C ZINC000332240529 296780293 /nfs/dbraw/zinc/78/02/93/296780293.db2.gz QFPZOUKSPUNTLC-ZOBORPQBSA-N 1 3 308.426 -0.395 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000332638158 287225670 /nfs/dbraw/zinc/22/56/70/287225670.db2.gz QZSLOAJMADSCEQ-HZSPNIEDSA-N 1 3 324.425 -0.742 20 0 DBADHO O=C(CN1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCNC(=O)C1 ZINC000662296833 411633160 /nfs/dbraw/zinc/63/31/60/411633160.db2.gz NQVJFEFKIYFAAM-AWEZNQCLSA-N 1 3 308.426 -0.344 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000642801247 411663162 /nfs/dbraw/zinc/66/31/62/411663162.db2.gz NHHFHAWDFLJZDE-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C2)nn1 ZINC000653163771 411671879 /nfs/dbraw/zinc/67/18/79/411671879.db2.gz RQTGRDUJLZMSDT-LNSITVRQSA-N 1 3 320.397 -0.864 20 0 DBADHO NCc1cn([C@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C2)nn1 ZINC000653163772 411672066 /nfs/dbraw/zinc/67/20/66/411672066.db2.gz RQTGRDUJLZMSDT-WHOFXGATSA-N 1 3 320.397 -0.864 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194572 411674731 /nfs/dbraw/zinc/67/47/31/411674731.db2.gz NNOQYKVDAAIUKP-KEYYUXOJSA-N 1 3 322.453 -0.016 20 0 DBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655417421 411678364 /nfs/dbraw/zinc/67/83/64/411678364.db2.gz KMEHIABQHOWESO-YGRLFVJLSA-N 1 3 305.386 -0.458 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC(=O)NC1CC1 ZINC000663498293 411682718 /nfs/dbraw/zinc/68/27/18/411682718.db2.gz OLBBHXJTZKKDCC-LBPRGKRZSA-N 1 3 313.446 -0.164 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC(=O)NC1CC1 ZINC000663498293 411682720 /nfs/dbraw/zinc/68/27/20/411682720.db2.gz OLBBHXJTZKKDCC-LBPRGKRZSA-N 1 3 313.446 -0.164 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cn1 ZINC000652621054 411806398 /nfs/dbraw/zinc/80/63/98/411806398.db2.gz YVDGGVJMYJLCJA-GFCCVEGCSA-N 1 3 322.413 -0.359 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cn1 ZINC000652622380 411806520 /nfs/dbraw/zinc/80/65/20/411806520.db2.gz IMUTWRCWDCQIRG-NEPJUHHUSA-N 1 3 322.413 -0.231 20 0 DBADHO CN(C)CCn1cc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cn1 ZINC000652612444 411806732 /nfs/dbraw/zinc/80/67/32/411806732.db2.gz RXMNAGYSLLVYNO-ZDUSSCGKSA-N 1 3 310.402 -0.055 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cn1 ZINC000652622382 411807684 /nfs/dbraw/zinc/80/76/84/411807684.db2.gz IMUTWRCWDCQIRG-RYUDHWBXSA-N 1 3 322.413 -0.231 20 0 DBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652623682 411808448 /nfs/dbraw/zinc/80/84/48/411808448.db2.gz PAHJDTIPVZBBMN-AAEUAGOBSA-N 1 3 322.413 -0.360 20 0 DBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2CNCCO2)CCO1 ZINC000659554473 411836234 /nfs/dbraw/zinc/83/62/34/411836234.db2.gz NBNJFLMMLIGWDX-ZIAGYGMSSA-N 1 3 314.430 -0.273 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000659644402 411856432 /nfs/dbraw/zinc/85/64/32/411856432.db2.gz XBRSJXYBZKRXOZ-CYBMUJFWSA-N 1 3 313.446 -0.114 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000653766514 411896062 /nfs/dbraw/zinc/89/60/62/411896062.db2.gz FXHQFQVIIUCEPE-ILXRZTDVSA-N 1 3 303.447 -0.688 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000653766514 411896066 /nfs/dbraw/zinc/89/60/66/411896066.db2.gz FXHQFQVIIUCEPE-ILXRZTDVSA-N 1 3 303.447 -0.688 20 0 DBADHO COCCN1CC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654452847 411938014 /nfs/dbraw/zinc/93/80/14/411938014.db2.gz YSEKROXKMUWMFN-HZSPNIEDSA-N 1 3 312.414 -0.833 20 0 DBADHO COCCN1CC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000654452847 411938019 /nfs/dbraw/zinc/93/80/19/411938019.db2.gz YSEKROXKMUWMFN-HZSPNIEDSA-N 1 3 312.414 -0.833 20 0 DBADHO CC[N@H+](C)C[C@H](O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000653588498 411880645 /nfs/dbraw/zinc/88/06/45/411880645.db2.gz YUHBMIMQIFHKKE-GJZGRUSLSA-N 1 3 312.458 -0.287 20 0 DBADHO CC[N@@H+](C)C[C@H](O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000653588498 411880650 /nfs/dbraw/zinc/88/06/50/411880650.db2.gz YUHBMIMQIFHKKE-GJZGRUSLSA-N 1 3 312.458 -0.287 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656069332 411992449 /nfs/dbraw/zinc/99/24/49/411992449.db2.gz YCMUVVVTJVXOIQ-MELADBBJSA-N 1 3 310.442 -0.005 20 0 DBADHO [NH3+][C@@H]1CCC[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)C1 ZINC000656197457 411999542 /nfs/dbraw/zinc/99/95/42/411999542.db2.gz KWBYMYUYRWLVFN-KFWWJZLASA-N 1 3 310.442 -0.221 20 0 DBADHO C[C@@H](CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)[NH+](C)C ZINC000658426773 412055152 /nfs/dbraw/zinc/05/51/52/412055152.db2.gz YIZIGHUYVIZDAI-LBPRGKRZSA-N 1 3 324.429 -0.160 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000659459318 412089025 /nfs/dbraw/zinc/08/90/25/412089025.db2.gz XMJRBWXGXJUFMR-LLVKDONJSA-N 1 3 320.397 -0.076 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000659459318 412089029 /nfs/dbraw/zinc/08/90/29/412089029.db2.gz XMJRBWXGXJUFMR-LLVKDONJSA-N 1 3 320.397 -0.076 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000659447456 412089117 /nfs/dbraw/zinc/08/91/17/412089117.db2.gz DXMSVUGWXMGQIO-QWHCGFSZSA-N 1 3 313.446 -0.164 20 0 DBADHO C[NH+]1CCC(CCNC(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000659687254 412103988 /nfs/dbraw/zinc/10/39/88/412103988.db2.gz AOQRGHKYCFBNAC-UHFFFAOYSA-N 1 3 308.426 -0.216 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)NC1CCN(C2CC2)CC1 ZINC000659686005 412104073 /nfs/dbraw/zinc/10/40/73/412104073.db2.gz XBIKCWYPFCTPDR-UHFFFAOYSA-N 1 3 306.410 -0.402 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[N@@H+]1C1CC1 ZINC000659692755 412105144 /nfs/dbraw/zinc/10/51/44/412105144.db2.gz GMCCOCRZHXVFSU-FPQZTECRSA-N 1 3 312.389 -0.375 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[N@H+]1C1CC1 ZINC000659692755 412105150 /nfs/dbraw/zinc/10/51/50/412105150.db2.gz GMCCOCRZHXVFSU-FPQZTECRSA-N 1 3 312.389 -0.375 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659701883 412109547 /nfs/dbraw/zinc/10/95/47/412109547.db2.gz ISJQGOBDJSLOCW-MFOWVQHXSA-N 1 3 308.426 -0.073 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659701884 412109713 /nfs/dbraw/zinc/10/97/13/412109713.db2.gz ISJQGOBDJSLOCW-UYJPIKCFSA-N 1 3 308.426 -0.073 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000659703112 412109920 /nfs/dbraw/zinc/10/99/20/412109920.db2.gz XIHVUEYZIILZBS-BWAOXVRWSA-N 1 3 306.410 -0.321 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000659703112 412109926 /nfs/dbraw/zinc/10/99/26/412109926.db2.gz XIHVUEYZIILZBS-BWAOXVRWSA-N 1 3 306.410 -0.321 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659740442 412119083 /nfs/dbraw/zinc/11/90/83/412119083.db2.gz BBQXZAHMOSKSSJ-MFOWVQHXSA-N 1 3 308.426 -0.204 20 0 DBADHO N[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)C[C@H]1c1cccc(F)c1 ZINC000662574731 412188810 /nfs/dbraw/zinc/18/88/10/412188810.db2.gz KGMUXZGRHUODDQ-QWHCGFSZSA-N 1 3 318.356 -0.057 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)c2cn(CC[NH3+])nn2)C[C@H](C)O1 ZINC000662687106 412195735 /nfs/dbraw/zinc/19/57/35/412195735.db2.gz FHZNMYDNFKKOKG-BETUJISGSA-N 1 3 324.429 -0.144 20 0 DBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662707900 412196760 /nfs/dbraw/zinc/19/67/60/412196760.db2.gz IFTZGTZCYFSQLG-NOLJZWGESA-N 1 3 309.410 -0.408 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662759403 412199981 /nfs/dbraw/zinc/19/99/81/412199981.db2.gz VOKRCLNRZCOJNV-QLFBSQMISA-N 1 3 312.458 -0.260 20 0 DBADHO CN(C(=O)C[C@@H]1COCCN1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899481 412208746 /nfs/dbraw/zinc/20/87/46/412208746.db2.gz DILBBTGSFGELHP-ZBFHGGJFSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C(=O)C[C@@H]1COCCN1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899481 412208750 /nfs/dbraw/zinc/20/87/50/412208750.db2.gz DILBBTGSFGELHP-ZBFHGGJFSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C(=O)[C@H]1CNCCO1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900665 412209920 /nfs/dbraw/zinc/20/99/20/412209920.db2.gz NOEZNRYEQVQJMR-LSDHHAIUSA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C(=O)[C@H]1CNCCO1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900665 412209923 /nfs/dbraw/zinc/20/99/23/412209923.db2.gz NOEZNRYEQVQJMR-LSDHHAIUSA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C(=O)[C@H]1CNCCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900665 412209927 /nfs/dbraw/zinc/20/99/27/412209927.db2.gz NOEZNRYEQVQJMR-LSDHHAIUSA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C(=O)[C@H]1CNCCO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900664 412210191 /nfs/dbraw/zinc/21/01/91/412210191.db2.gz NOEZNRYEQVQJMR-HUUCEWRRSA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C(=O)[C@H]1CNCCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662900664 412210193 /nfs/dbraw/zinc/21/01/93/412210193.db2.gz NOEZNRYEQVQJMR-HUUCEWRRSA-N 1 3 310.442 -0.398 20 0 DBADHO CN(C(=O)[C@H]1CNCCO1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900664 412210196 /nfs/dbraw/zinc/21/01/96/412210196.db2.gz NOEZNRYEQVQJMR-HUUCEWRRSA-N 1 3 310.442 -0.398 20 0 DBADHO CC(C)(C)n1nnc(CCN2CCC[C@H](C(=O)NCC[NH3+])C2)n1 ZINC000662244545 412174867 /nfs/dbraw/zinc/17/48/67/412174867.db2.gz RDSUGSFYTYSTGY-LBPRGKRZSA-N 1 3 323.445 -0.243 20 0 DBADHO CNC(=O)[C@@H]1CCN(C[C@@H](C)C[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000664782976 412261687 /nfs/dbraw/zinc/26/16/87/412261687.db2.gz DJASKDWQQBXFLQ-ZSOGYDGISA-N 1 3 310.442 -0.242 20 0 DBADHO CNC(=O)[C@@H]1CCN(C[C@@H](C)C[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000664782976 412261690 /nfs/dbraw/zinc/26/16/90/412261690.db2.gz DJASKDWQQBXFLQ-ZSOGYDGISA-N 1 3 310.442 -0.242 20 0 DBADHO CNC(=O)[C@@H]1CC[N@@H+](C[C@@H](C)CN2CC[C@H](C(=O)NC)C2)C1 ZINC000664782976 412261696 /nfs/dbraw/zinc/26/16/96/412261696.db2.gz DJASKDWQQBXFLQ-ZSOGYDGISA-N 1 3 310.442 -0.242 20 0 DBADHO CNC(=O)[C@@H]1CC[N@H+](C[C@@H](C)CN2CC[C@H](C(=O)NC)C2)C1 ZINC000664782976 412261698 /nfs/dbraw/zinc/26/16/98/412261698.db2.gz DJASKDWQQBXFLQ-ZSOGYDGISA-N 1 3 310.442 -0.242 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013647 412223229 /nfs/dbraw/zinc/22/32/29/412223229.db2.gz FGTTUGGPLXSEEW-NWDGAFQWSA-N 1 3 306.414 -0.128 20 0 DBADHO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[NH2+]1 ZINC000626890639 412311825 /nfs/dbraw/zinc/31/18/25/412311825.db2.gz QUPHPIKLAWBHPV-RYUDHWBXSA-N 1 3 322.413 -0.360 20 0 DBADHO CN(C)CCn1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)n1 ZINC000362566118 412293262 /nfs/dbraw/zinc/29/32/62/412293262.db2.gz WFNFTGZBVPNDOT-NSHDSACASA-N 1 3 317.397 0.497 20 0 DBADHO C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CNCCC2(F)F)n1 ZINC000415217879 412293332 /nfs/dbraw/zinc/29/33/32/412293332.db2.gz RMONKLLHLQDJGP-SNVBAGLBSA-N 1 3 316.356 0.563 20 0 DBADHO CN(C)CCn1ccc(NC(=O)NCCNc2cc[nH+]cc2)n1 ZINC000353205249 412294286 /nfs/dbraw/zinc/29/42/86/412294286.db2.gz INOPRQJFQXCVCF-UHFFFAOYSA-N 1 3 317.397 0.495 20 0 DBADHO Cc1cc(NC(=O)C2CCN(CCN3CC[NH2+]CC3)CC2)no1 ZINC000568765467 412377654 /nfs/dbraw/zinc/37/76/54/412377654.db2.gz GVQWKEGGJKSEKT-UHFFFAOYSA-N 1 3 321.425 0.539 20 0 DBADHO C[C@H](CC(N)=O)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665758244 418939274 /nfs/dbraw/zinc/93/92/74/418939274.db2.gz CGUAVQKYKIXIQW-NEPJUHHUSA-N 1 3 301.435 -0.179 20 0 DBADHO C[C@H](CC(N)=O)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665758244 418939276 /nfs/dbraw/zinc/93/92/76/418939276.db2.gz CGUAVQKYKIXIQW-NEPJUHHUSA-N 1 3 301.435 -0.179 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000670545873 544420477 /nfs/dbraw/zinc/42/04/77/544420477.db2.gz IHIQXVRSJHAZFF-BXUZGUMPSA-N 1 3 308.426 -0.204 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1=O ZINC000073476664 544468347 /nfs/dbraw/zinc/46/83/47/544468347.db2.gz UBTJLKSIDCTFCK-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[N@@H+](CC3CC3)C2)CC1=O ZINC000073476664 544468351 /nfs/dbraw/zinc/46/83/51/544468351.db2.gz UBTJLKSIDCTFCK-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CC[NH+](CC)CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000126988497 544483223 /nfs/dbraw/zinc/48/32/23/544483223.db2.gz HWQKDJHQYSSFIC-UHFFFAOYSA-N 1 3 324.429 -0.159 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000669229927 544538704 /nfs/dbraw/zinc/53/87/04/544538704.db2.gz XVVQPNCWJWKGBV-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000669473300 544569151 /nfs/dbraw/zinc/56/91/51/544569151.db2.gz VCOGQDOHMCQBAS-MCIONIFRSA-N 1 3 314.430 -0.145 20 0 DBADHO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000671122975 544594215 /nfs/dbraw/zinc/59/42/15/544594215.db2.gz WTDSOZJBHOTECZ-UKRRQHHQSA-N 1 3 320.437 -0.107 20 0 DBADHO O=C(NC[C@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000671122975 544594220 /nfs/dbraw/zinc/59/42/20/544594220.db2.gz WTDSOZJBHOTECZ-UKRRQHHQSA-N 1 3 320.437 -0.107 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC1=O ZINC000667811459 544749115 /nfs/dbraw/zinc/74/91/15/544749115.db2.gz MUWSLTBQQZDTBG-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC1=O ZINC000667811459 544749119 /nfs/dbraw/zinc/74/91/19/544749119.db2.gz MUWSLTBQQZDTBG-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](NC(=O)C(=O)N1CC[C@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672013526 544761475 /nfs/dbraw/zinc/76/14/75/544761475.db2.gz LMPOXRPDIZHRBT-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN1CCO[C@@H](C(=O)NCCCN2CCC[N@H+](C)CC2)C1 ZINC000673671236 544807501 /nfs/dbraw/zinc/80/75/01/544807501.db2.gz WCHRISZDPLJCBU-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO CCN1CCO[C@@H](C(=O)NCCCN2CCC[N@@H+](C)CC2)C1 ZINC000673671236 544807504 /nfs/dbraw/zinc/80/75/04/544807504.db2.gz WCHRISZDPLJCBU-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO CCN1CCO[C@@H](C(=O)NCCC[N@@H+]2CCCN(C)CC2)C1 ZINC000673671236 544807507 /nfs/dbraw/zinc/80/75/07/544807507.db2.gz WCHRISZDPLJCBU-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO CCN1CCO[C@@H](C(=O)NCCC[N@H+]2CCCN(C)CC2)C1 ZINC000673671236 544807513 /nfs/dbraw/zinc/80/75/13/544807513.db2.gz WCHRISZDPLJCBU-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1=O ZINC000673671187 544808821 /nfs/dbraw/zinc/80/88/21/544808821.db2.gz WJGCUHQNMHHPJP-KBPBESRZSA-N 1 3 310.442 -0.193 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)CN1C1CC1 ZINC000685277794 545029334 /nfs/dbraw/zinc/02/93/34/545029334.db2.gz BPRUMUFNQUVLPM-BZPMIXESSA-N 1 3 308.426 -0.110 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000236891164 265677597 /nfs/dbraw/zinc/67/75/97/265677597.db2.gz NRNQUMCRCHQGDQ-HUUCEWRRSA-N 1 3 312.458 -0.103 20 0 DBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419031063 265762066 /nfs/dbraw/zinc/76/20/66/265762066.db2.gz UTOSCAFTDHXUBV-JHJVBQTASA-N 1 3 310.442 -0.195 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000419376609 265785015 /nfs/dbraw/zinc/78/50/15/265785015.db2.gz SICNJRSSYZSXNH-UHFFFAOYSA-N 1 3 318.421 -0.463 20 0 DBADHO CN(C)CCOCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424177706 265925762 /nfs/dbraw/zinc/92/57/62/265925762.db2.gz UURVJKHAWNHLDK-LBPRGKRZSA-N 1 3 310.402 -0.489 20 0 DBADHO CN(C)CCOCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424177705 265926081 /nfs/dbraw/zinc/92/60/81/265926081.db2.gz UURVJKHAWNHLDK-GFCCVEGCSA-N 1 3 310.402 -0.489 20 0 DBADHO C[NH2+]CCCC(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000430783594 266013778 /nfs/dbraw/zinc/01/37/78/266013778.db2.gz MXAUMPJBKKQRGX-UHFFFAOYSA-N 1 3 310.402 -0.501 20 0 DBADHO COCCN(C)CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000430886267 266014481 /nfs/dbraw/zinc/01/44/81/266014481.db2.gz AETGKOWHYPXKEK-UHFFFAOYSA-N 1 3 324.429 -0.181 20 0 DBADHO CC(C)[C@H](C[NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000433162894 266037860 /nfs/dbraw/zinc/03/78/60/266037860.db2.gz NMDMYRVYINLQOC-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO CC(C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000434702861 266055787 /nfs/dbraw/zinc/05/57/87/266055787.db2.gz OCWXRZVIAXEINO-GHMZBOCLSA-N 1 3 319.427 -0.734 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000438532224 266081845 /nfs/dbraw/zinc/08/18/45/266081845.db2.gz PAGGIGKVVVKNGJ-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)C[C@@H](O)CNC[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496761850 266245441 /nfs/dbraw/zinc/24/54/41/266245441.db2.gz YICSZKBEQNBWKG-SMDDNHRTSA-N 1 3 305.419 -0.226 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1COC(=O)N1 ZINC000496980543 266252923 /nfs/dbraw/zinc/25/29/23/266252923.db2.gz RKJBLVUZHNQXHH-QWHCGFSZSA-N 1 3 312.414 -0.031 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@H]1COC(=O)N1 ZINC000496980543 266252926 /nfs/dbraw/zinc/25/29/26/266252926.db2.gz RKJBLVUZHNQXHH-QWHCGFSZSA-N 1 3 312.414 -0.031 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)CCN2C1=O ZINC000514614072 266261768 /nfs/dbraw/zinc/26/17/68/266261768.db2.gz AUUGSKMRCZCVOS-ZNMIVQPWSA-N 1 3 316.405 -0.283 20 0 DBADHO COc1ccc([C@H](C[NH3+])CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000515171526 266269250 /nfs/dbraw/zinc/26/92/50/266269250.db2.gz QXMKKVMFBVTPTB-IJEWVQPXSA-N 1 3 318.421 -0.019 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000517224898 266291737 /nfs/dbraw/zinc/29/17/37/266291737.db2.gz FJEYHBLPAMCPMO-OLZOCXBDSA-N 1 3 300.403 -0.534 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000518736084 266303815 /nfs/dbraw/zinc/30/38/15/266303815.db2.gz MPHZOZMKGKJJDE-AWEZNQCLSA-N 1 3 323.441 -0.312 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN(C)C(C)(C)CN1CCOCC1 ZINC000519770709 266315321 /nfs/dbraw/zinc/31/53/21/266315321.db2.gz ZPHNWMHIGJVWLV-OAHLLOKOSA-N 1 3 317.474 -0.032 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN(C)C(C)(C)CN1CCOCC1 ZINC000519770709 266315322 /nfs/dbraw/zinc/31/53/22/266315322.db2.gz ZPHNWMHIGJVWLV-OAHLLOKOSA-N 1 3 317.474 -0.032 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000521070849 266324617 /nfs/dbraw/zinc/32/46/17/266324617.db2.gz NAPYCSKXZBJAJF-MGPQQGTHSA-N 1 3 317.393 -0.360 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C34CCC4)CCN2C1=O ZINC000529349404 266386962 /nfs/dbraw/zinc/38/69/62/266386962.db2.gz KSJLKXAPYUUYOU-UTUOFQBUSA-N 1 3 307.398 -0.776 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303247418 277236728 /nfs/dbraw/zinc/23/67/28/277236728.db2.gz DRNIVWZDYVSMTQ-RYUDHWBXSA-N 1 3 314.430 -0.145 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000332666680 288306674 /nfs/dbraw/zinc/30/66/74/288306674.db2.gz YGJRCTAKFVBTLD-OCCSQVGLSA-N 1 3 308.426 -0.121 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCC3([NH3+])CCCCC3)CCN2C1=O ZINC000569380541 332069435 /nfs/dbraw/zinc/06/94/35/332069435.db2.gz HABUSFCJHWSYCY-NWDGAFQWSA-N 1 3 309.414 -0.399 20 0 DBADHO CN(C)[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000569707037 332666800 /nfs/dbraw/zinc/66/68/00/332666800.db2.gz XBELBLGGRDCVMD-GJZGRUSLSA-N 1 3 310.442 -0.664 20 0 DBADHO O=C(C(=O)N1CCC[C@@H]1CN1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570199899 332724469 /nfs/dbraw/zinc/72/44/69/332724469.db2.gz DFGKKDPCQKTMQN-QLFBSQMISA-N 1 3 320.437 -0.249 20 0 DBADHO CN1CCN(C[C@H](O)CNC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000583631004 336007696 /nfs/dbraw/zinc/00/76/96/336007696.db2.gz DPAOHFVSUZFLJE-JKSUJKDBSA-N 1 3 314.474 -0.969 20 0 DBADHO CN1CCN(C[C@H](O)C[NH2+]C[C@H](O)CN2CCCCC2)CC1 ZINC000583631004 336007697 /nfs/dbraw/zinc/00/76/97/336007697.db2.gz DPAOHFVSUZFLJE-JKSUJKDBSA-N 1 3 314.474 -0.969 20 0 DBADHO N[C@@H](CC(F)F)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000582421374 336971839 /nfs/dbraw/zinc/97/18/39/336971839.db2.gz AKWKNKIYDLTCDK-ZJUUUORDSA-N 1 3 306.357 -0.185 20 0 DBADHO N[C@@H](CC(F)F)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000582421372 336971871 /nfs/dbraw/zinc/97/18/71/336971871.db2.gz AKWKNKIYDLTCDK-UWVGGRQHSA-N 1 3 306.357 -0.185 20 0 DBADHO CN(C)[C@@]1(CNC(=O)NC[C@H]2C[NH2+]CCN2C)CCSC1 ZINC000582536307 337106302 /nfs/dbraw/zinc/10/63/02/337106302.db2.gz SQTYGJZRRULGDX-TZMCWYRMSA-N 1 3 315.487 -0.374 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000582775367 337145597 /nfs/dbraw/zinc/14/55/97/337145597.db2.gz ZDJWZFIMZXKUKZ-KGLIPLIRSA-N 1 3 323.441 -0.328 20 0 DBADHO C[C@H](CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC[NH2+]CC1 ZINC000584480401 337348714 /nfs/dbraw/zinc/34/87/14/337348714.db2.gz ACXIBJGKFPTDEF-KWCYVHTRSA-N 1 3 308.426 -0.217 20 0 DBADHO CN1CCN(CC2CCN(C(=O)CCOC3C[NH2+]C3)CC2)CC1 ZINC000566010596 341545352 /nfs/dbraw/zinc/54/53/52/341545352.db2.gz MMIBXHQLXUKVSZ-UHFFFAOYSA-N 1 3 324.469 -0.149 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]3)C[C@H]2N)cn1 ZINC000566104130 341547710 /nfs/dbraw/zinc/54/77/10/341547710.db2.gz CLAVEWGPZQVDRM-HZSPNIEDSA-N 1 3 306.414 -0.002 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCC[C@@H]3CCC[NH2+]C3)CCN2C1=O ZINC000566509648 341560432 /nfs/dbraw/zinc/56/04/32/341560432.db2.gz WATKZJJCZTZDBA-RWMBFGLXSA-N 1 3 309.414 -0.671 20 0 DBADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000568294013 341663975 /nfs/dbraw/zinc/66/39/75/341663975.db2.gz IQFKBERYJICNER-RDBSUJKOSA-N 1 3 323.441 -0.186 20 0 DBADHO CC(C)[C@](C)(C[NH3+])NCCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000346592148 519829274 /nfs/dbraw/zinc/82/92/74/519829274.db2.gz KEGIDPTXFIIPLE-HNNXBMFYSA-N 1 3 322.413 -0.603 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])CC(F)F)CC1 ZINC000345805670 520575331 /nfs/dbraw/zinc/57/53/31/520575331.db2.gz OGIWAJOUKUOAQC-LLVKDONJSA-N 1 3 320.384 -0.019 20 0 DBADHO CC1(CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC[NH2+]CC1 ZINC000332095336 520703701 /nfs/dbraw/zinc/70/37/01/520703701.db2.gz PGPJQYCKGUGOPA-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CCC[C@@H](N)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000236792468 520723910 /nfs/dbraw/zinc/72/39/10/520723910.db2.gz JAFZWJMJRUKGNP-GFCCVEGCSA-N 1 3 310.402 -0.373 20 0 DBADHO CC[NH+]1CCC(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)CC1 ZINC000332631792 521570741 /nfs/dbraw/zinc/57/07/41/521570741.db2.gz WRBTVCPUFAPOSM-AWEZNQCLSA-N 1 3 308.426 -0.107 20 0 DBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000331693995 521626644 /nfs/dbraw/zinc/62/66/44/521626644.db2.gz XXEGRUGWZJYPSB-SOUVJXGZSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN1CC[NH+](CCCCNC(=O)[C@H]2NCCO[C@H]2C)CC1 ZINC000344312539 521680549 /nfs/dbraw/zinc/68/05/49/521680549.db2.gz NQVKIWAZBFGLLP-GJZGRUSLSA-N 1 3 312.458 -0.103 20 0 DBADHO CC[NH+]1CCN(CCCCNC(=O)[C@H]2NCCO[C@H]2C)CC1 ZINC000344312539 521680551 /nfs/dbraw/zinc/68/05/51/521680551.db2.gz NQVKIWAZBFGLLP-GJZGRUSLSA-N 1 3 312.458 -0.103 20 0 DBADHO CCN1CCO[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)C1 ZINC000365680788 521705659 /nfs/dbraw/zinc/70/56/59/521705659.db2.gz SBSWZSIEAVCVBD-CQSZACIVSA-N 1 3 300.447 -0.293 20 0 DBADHO CCN1CCO[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)C1 ZINC000365680788 521705661 /nfs/dbraw/zinc/70/56/61/521705661.db2.gz SBSWZSIEAVCVBD-CQSZACIVSA-N 1 3 300.447 -0.293 20 0 DBADHO CCN1CCO[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)C1 ZINC000365680788 521705664 /nfs/dbraw/zinc/70/56/64/521705664.db2.gz SBSWZSIEAVCVBD-CQSZACIVSA-N 1 3 300.447 -0.293 20 0 DBADHO C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CNCCO2)CCSC1 ZINC000333406801 522109360 /nfs/dbraw/zinc/10/93/60/522109360.db2.gz QSICNHDKVMIGOG-AAEUAGOBSA-N 1 3 302.444 -0.289 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000333681776 523819324 /nfs/dbraw/zinc/81/93/24/523819324.db2.gz OXYVUDMXBKJYFJ-CYBMUJFWSA-N 1 3 323.441 -0.184 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333819652 523844824 /nfs/dbraw/zinc/84/48/24/523844824.db2.gz KRHUDBIXIBIFGC-KBPBESRZSA-N 1 3 323.441 -0.314 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000333710950 523845039 /nfs/dbraw/zinc/84/50/39/523845039.db2.gz SGTVZCPHSCLYAI-OLZOCXBDSA-N 1 3 309.414 -0.704 20 0 DBADHO CNc1nc(N(C)CCN(C)C)nc(N(C)CC[NH+](C)C)n1 ZINC000343909605 524038559 /nfs/dbraw/zinc/03/85/59/524038559.db2.gz QRBUCJVVUHCTPT-UHFFFAOYSA-N 1 3 310.450 -0.669 20 0 DBADHO C[C@@H]1CCN(C)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346141943 524498412 /nfs/dbraw/zinc/49/84/12/524498412.db2.gz VUXKXZPJVCLYCD-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000333612562 524532177 /nfs/dbraw/zinc/53/21/77/524532177.db2.gz SFRODCAOXCUYBI-YXCITZCRSA-N 1 3 306.414 -0.146 20 0 DBADHO C[C@H](CO)N1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000347201690 524547834 /nfs/dbraw/zinc/54/78/34/524547834.db2.gz CCDMISLRFLTOCY-CABCVRRESA-N 1 3 310.442 -0.709 20 0 DBADHO C[C@H](CO)N1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000347201690 524547840 /nfs/dbraw/zinc/54/78/40/524547840.db2.gz CCDMISLRFLTOCY-CABCVRRESA-N 1 3 310.442 -0.709 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C[C@@H]1N(C)C ZINC000331776112 524742979 /nfs/dbraw/zinc/74/29/79/524742979.db2.gz OLQPJNKSLMJKSH-RFGFWPKPSA-N 1 3 308.426 -0.537 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C[C@@H]1N(C)C ZINC000331776113 524743652 /nfs/dbraw/zinc/74/36/52/524743652.db2.gz OLQPJNKSLMJKSH-RQJABVFESA-N 1 3 308.426 -0.537 20 0 DBADHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C1 ZINC000332606943 524856996 /nfs/dbraw/zinc/85/69/96/524856996.db2.gz DYTGQIAEOOJCNO-MELADBBJSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000332096602 525084058 /nfs/dbraw/zinc/08/40/58/525084058.db2.gz OGSJXQNAUDORJR-AAVRWANBSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000332096603 525084798 /nfs/dbraw/zinc/08/47/98/525084798.db2.gz OGSJXQNAUDORJR-XJFOESAGSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000332121938 525086900 /nfs/dbraw/zinc/08/69/00/525086900.db2.gz ZCIXEBXFDAIVOA-MGPQQGTHSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[N@@H+]1C ZINC000346407302 525258210 /nfs/dbraw/zinc/25/82/10/525258210.db2.gz FIDDHMUETDRWHC-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[N@H+]1C ZINC000346407302 525258214 /nfs/dbraw/zinc/25/82/14/525258214.db2.gz FIDDHMUETDRWHC-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[N@@H+]1C ZINC000346407301 525430854 /nfs/dbraw/zinc/43/08/54/525430854.db2.gz FIDDHMUETDRWHC-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC[N@H+]1C ZINC000346407301 525430859 /nfs/dbraw/zinc/43/08/59/525430859.db2.gz FIDDHMUETDRWHC-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000333018643 525780926 /nfs/dbraw/zinc/78/09/26/525780926.db2.gz CXAHBBQIHYCAJT-ZBFHGGJFSA-N 1 3 324.469 -0.320 20 0 DBADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000333018643 525780937 /nfs/dbraw/zinc/78/09/37/525780937.db2.gz CXAHBBQIHYCAJT-ZBFHGGJFSA-N 1 3 324.469 -0.320 20 0 DBADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1[nH]nc2c1CNCC2 ZINC000364219305 526622834 /nfs/dbraw/zinc/62/28/34/526622834.db2.gz VUZQICQYOZKIFU-MNOVXSKESA-N 1 3 305.382 -0.352 20 0 DBADHO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1[nH]nc2c1CNCC2 ZINC000364219305 526622840 /nfs/dbraw/zinc/62/28/40/526622840.db2.gz VUZQICQYOZKIFU-MNOVXSKESA-N 1 3 305.382 -0.352 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418714661 528083112 /nfs/dbraw/zinc/08/31/12/528083112.db2.gz YWKIHJYIGPZRQZ-QWHCGFSZSA-N 1 3 313.446 -0.082 20 0 DBADHO CC[NH2+]CCNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418316977 528312163 /nfs/dbraw/zinc/31/21/63/528312163.db2.gz LVFONADTIDUQGS-UHFFFAOYSA-N 1 3 313.446 -0.113 20 0 DBADHO CCN(CCO)CCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418649626 528536879 /nfs/dbraw/zinc/53/68/79/528536879.db2.gz FBWBIIHSOXSRRU-CQSZACIVSA-N 1 3 302.419 -0.632 20 0 DBADHO CC(C)C[C@H](NC(=O)NC[C@H](C)C[NH3+])C(=O)NCCN(C)C ZINC000418473060 528566257 /nfs/dbraw/zinc/56/62/57/528566257.db2.gz OGEDTYPSUOLRNS-OLZOCXBDSA-N 1 3 315.462 -0.027 20 0 DBADHO CN(C[C@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000977749580 665497739 /nfs/dbraw/zinc/49/77/39/665497739.db2.gz BPXOBNQWBVQQLE-GXTWGEPZSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C[C@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977749580 665497740 /nfs/dbraw/zinc/49/77/40/665497740.db2.gz BPXOBNQWBVQQLE-GXTWGEPZSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C[C@@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000977749586 665497912 /nfs/dbraw/zinc/49/79/12/665497912.db2.gz BPXOBNQWBVQQLE-JSGCOSHPSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C[C@@H]1CCN1C(=O)Cc1c[nH]cn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000977749586 665497913 /nfs/dbraw/zinc/49/79/13/665497913.db2.gz BPXOBNQWBVQQLE-JSGCOSHPSA-N 1 3 319.409 -0.037 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC000978960609 665587699 /nfs/dbraw/zinc/58/76/99/665587699.db2.gz MPRQZOCHAGPEMW-SYQHCUMBSA-N 1 3 320.437 -0.489 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1=O ZINC000424023722 665644429 /nfs/dbraw/zinc/64/44/29/665644429.db2.gz GGEVTSLUPAJZCI-CJNGLKHVSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1=O ZINC000424023717 665644505 /nfs/dbraw/zinc/64/45/05/665644505.db2.gz GGEVTSLUPAJZCI-BBRMVZONSA-N 1 3 308.426 -0.249 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000317380269 665815702 /nfs/dbraw/zinc/81/57/02/665815702.db2.gz LEDWSUCAYQIEHT-SCRDCRAPSA-N 1 3 312.414 -0.935 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000317380269 665815703 /nfs/dbraw/zinc/81/57/03/665815703.db2.gz LEDWSUCAYQIEHT-SCRDCRAPSA-N 1 3 312.414 -0.935 20 0 DBADHO O=C(NC[C@@H]1CCCN1CCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037365 665826591 /nfs/dbraw/zinc/82/65/91/665826591.db2.gz VYQCMAIWEDJPBK-WJEHIRDRSA-N 1 3 309.410 -0.578 20 0 DBADHO O=C(NC[C@@H]1CCCN1CCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037365 665826595 /nfs/dbraw/zinc/82/65/95/665826595.db2.gz VYQCMAIWEDJPBK-WJEHIRDRSA-N 1 3 309.410 -0.578 20 0 DBADHO C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020407294 663801552 /nfs/dbraw/zinc/80/15/52/663801552.db2.gz XNVZPRJGVWWZFV-CTROAQCZSA-N 1 3 309.410 -0.533 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1)[NH+](C)C ZINC000969845750 663875428 /nfs/dbraw/zinc/87/54/28/663875428.db2.gz IFGWBKFWVKHPGF-UKRRQHHQSA-N 1 3 310.442 -0.005 20 0 DBADHO CCO[C@@H](CNC(=O)C(=O)N(C)CCN(C)C)C[NH+](C)C ZINC000932468999 663897558 /nfs/dbraw/zinc/89/75/58/663897558.db2.gz RPTIBUXCBWFENC-LBPRGKRZSA-N 1 3 302.419 -0.911 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000970713526 664039150 /nfs/dbraw/zinc/03/91/50/664039150.db2.gz ZZYHCHSJHZPBQM-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000970713526 664039153 /nfs/dbraw/zinc/03/91/53/664039153.db2.gz ZZYHCHSJHZPBQM-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(CC[NH+]1CCCCC1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC000970792331 664051093 /nfs/dbraw/zinc/05/10/93/664051093.db2.gz JOUBPXDACNTAJJ-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CN1CCN(CCCNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000091138010 664159580 /nfs/dbraw/zinc/15/95/80/664159580.db2.gz SIGOWXKTSKJFAV-CYBMUJFWSA-N 1 3 300.472 -0.165 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891485023 664219497 /nfs/dbraw/zinc/21/94/97/664219497.db2.gz ZFKFHJTVQLUGDA-IHRRRGAJSA-N 1 3 323.441 -0.315 20 0 DBADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000926324636 664295232 /nfs/dbraw/zinc/29/52/32/664295232.db2.gz BHMHYENFHWEYAR-ZIAGYGMSSA-N 1 3 308.426 -0.120 20 0 DBADHO CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000892182118 664325772 /nfs/dbraw/zinc/32/57/72/664325772.db2.gz XIOYDVJXUXOOOJ-NWDGAFQWSA-N 1 3 300.403 -0.881 20 0 DBADHO CC(C)(O)C[N@H+]1CC[C@H](NC(=O)NC[C@H]2CNCCO2)C1 ZINC000892182118 664325773 /nfs/dbraw/zinc/32/57/73/664325773.db2.gz XIOYDVJXUXOOOJ-NWDGAFQWSA-N 1 3 300.403 -0.881 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CNCCO2)C[C@@H]1C(F)(F)F ZINC000892182987 664327077 /nfs/dbraw/zinc/32/70/77/664327077.db2.gz AKRSJKVQFYHIOX-UTLUCORTSA-N 1 3 310.320 -0.247 20 0 DBADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)NC[C@H]1CNCCO1 ZINC000892183519 664327380 /nfs/dbraw/zinc/32/73/80/664327380.db2.gz HOGDEAYKSABFSY-QWHCGFSZSA-N 1 3 312.414 -0.567 20 0 DBADHO O=C(NC[C@H]1Cc2ccccc2CN1)NC[C@H]1C[NH2+]CCO1 ZINC000892184895 664327865 /nfs/dbraw/zinc/32/78/65/664327865.db2.gz XPTLDLWIYKYOFW-HUUCEWRRSA-N 1 3 304.394 -0.012 20 0 DBADHO O=C(NC[C@H]1Cc2ccccc2CN1)NC[C@@H]1C[NH2+]CCO1 ZINC000892184893 664328138 /nfs/dbraw/zinc/32/81/38/664328138.db2.gz XPTLDLWIYKYOFW-CABCVRRESA-N 1 3 304.394 -0.012 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022712290 664338618 /nfs/dbraw/zinc/33/86/18/664338618.db2.gz OOAUZBXQTCXZOF-MQYQWHSLSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001022712731 664339616 /nfs/dbraw/zinc/33/96/16/664339616.db2.gz YGNNEWFVFJWWEO-NDBYEHHHSA-N 1 3 322.409 -0.487 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)C1 ZINC001022715543 664339919 /nfs/dbraw/zinc/33/99/19/664339919.db2.gz JRFDLPRAFJSCIF-FVCCEPFGSA-N 1 3 322.409 -0.630 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001022715528 664340439 /nfs/dbraw/zinc/34/04/39/664340439.db2.gz JOWRQPNWAUXCOX-FQUUOJAGSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@H](CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C)N1CCCCC1 ZINC000910946416 674660611 /nfs/dbraw/zinc/66/06/11/674660611.db2.gz KZCIOGOGPXBYPA-MCIONIFRSA-N 1 3 310.442 -0.051 20 0 DBADHO [NH3+][C@H]1C[C@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000892577780 664945688 /nfs/dbraw/zinc/94/56/88/664945688.db2.gz MLAPHAJYIFKWRK-HDJSIYSDSA-N 1 3 323.441 -0.327 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911053568 674669207 /nfs/dbraw/zinc/66/92/07/674669207.db2.gz CCSBOPMMLQZCOR-RFQIPJPRSA-N 1 3 308.426 -0.014 20 0 DBADHO CN(CCNC(=O)C(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+])C1CC1 ZINC000911053907 674669945 /nfs/dbraw/zinc/66/99/45/674669945.db2.gz RYSHRXUFEJCIBQ-MLGOLLRUSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CCC(C)CC1 ZINC000911091761 674676097 /nfs/dbraw/zinc/67/60/97/674676097.db2.gz PJRHZDIZBALVTA-MGPQQGTHSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C)N1CCC(C)CC1 ZINC000911091760 674676349 /nfs/dbraw/zinc/67/63/49/674676349.db2.gz PJRHZDIZBALVTA-HZSPNIEDSA-N 1 3 310.442 -0.053 20 0 DBADHO CCO[C@H](CNC(=O)NC[C@@H]1C[C@H](O)CN1C)C[NH+](C)C ZINC000926849453 665067618 /nfs/dbraw/zinc/06/76/18/665067618.db2.gz LWNRATQDJXIMHB-RWMBFGLXSA-N 1 3 302.419 -0.683 20 0 DBADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798916 665088470 /nfs/dbraw/zinc/08/84/70/665088470.db2.gz PMHBZQSVLMCZAP-SBJFKYEJSA-N 1 3 309.410 -0.722 20 0 DBADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1CN2CCC[C@H]2CO1 ZINC001025798916 665088471 /nfs/dbraw/zinc/08/84/71/665088471.db2.gz PMHBZQSVLMCZAP-SBJFKYEJSA-N 1 3 309.410 -0.722 20 0 DBADHO O=C(N[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798914 665089046 /nfs/dbraw/zinc/08/90/46/665089046.db2.gz PMHBZQSVLMCZAP-MRLBHPIUSA-N 1 3 309.410 -0.722 20 0 DBADHO O=C(N[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21)[C@@H]1CN2CCC[C@@H]2CO1 ZINC001025798914 665089048 /nfs/dbraw/zinc/08/90/48/665089048.db2.gz PMHBZQSVLMCZAP-MRLBHPIUSA-N 1 3 309.410 -0.722 20 0 DBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000911147451 674682636 /nfs/dbraw/zinc/68/26/36/674682636.db2.gz IBXYGFIOBLVKLG-UPJWGTAASA-N 1 3 324.425 -0.920 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911145929 674682718 /nfs/dbraw/zinc/68/27/18/674682718.db2.gz HWCFETSMZPMPIL-WXHSDQCUSA-N 1 3 308.426 -0.219 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019771793 665095273 /nfs/dbraw/zinc/09/52/73/665095273.db2.gz ZZYHCHSJHZPBQM-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H](NCC(=O)N3CCCC3)C2)C1 ZINC001019771793 665095277 /nfs/dbraw/zinc/09/52/77/665095277.db2.gz ZZYHCHSJHZPBQM-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO CC1(C)CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1[NH3+] ZINC000911148135 674683460 /nfs/dbraw/zinc/68/34/60/674683460.db2.gz LUEKGNTYRVKJEY-JHJVBQTASA-N 1 3 324.425 -0.839 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 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/nfs/dbraw/zinc/12/85/74/665128574.db2.gz DLLHWYNSOPAQPY-KHMAMNHCSA-N 1 3 320.437 -0.204 20 0 DBADHO C[C@@H](NC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C)C1=CCN(C)CC1 ZINC000911219534 674692634 /nfs/dbraw/zinc/69/26/34/674692634.db2.gz OPDXSGNWMISXSL-DGCLKSJQSA-N 1 3 308.426 -0.133 20 0 DBADHO C[C@@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1=CCN(C)CC1 ZINC000911218899 674691587 /nfs/dbraw/zinc/69/15/87/674691587.db2.gz MBQVRBFPFQKSSR-VHDGCEQUSA-N 1 3 320.437 -0.179 20 0 DBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911222253 674692118 /nfs/dbraw/zinc/69/21/18/674692118.db2.gz BSJTUAIGHSYKHN-OLZOCXBDSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@@H](C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001026886255 665240546 /nfs/dbraw/zinc/24/05/46/665240546.db2.gz SPGBGPDVPFMLJA-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO [NH3+]CC[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000911223606 674695457 /nfs/dbraw/zinc/69/54/57/674695457.db2.gz PZKJMYWAPRDJLY-ZIAGYGMSSA-N 1 3 308.426 -0.216 20 0 DBADHO CN1CC[C@@H]([NH2+]C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091301 665269515 /nfs/dbraw/zinc/26/95/15/665269515.db2.gz JJLCTZMCFPKEBX-DGCLKSJQSA-N 1 3 305.382 -0.379 20 0 DBADHO CC1(C)CCN(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000911276691 674698209 /nfs/dbraw/zinc/69/82/09/674698209.db2.gz QVWDHDNUVCHRDT-CYBMUJFWSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911310439 674704208 /nfs/dbraw/zinc/70/42/08/674704208.db2.gz VQGRKQLPYJORKW-STQMWFEESA-N 1 3 310.442 -0.051 20 0 DBADHO Cn1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027215030 665307747 /nfs/dbraw/zinc/30/77/47/665307747.db2.gz BIRMTSDXGGACBG-STQMWFEESA-N 1 3 306.414 -0.295 20 0 DBADHO Cn1cc(CNC[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027215030 665307750 /nfs/dbraw/zinc/30/77/50/665307750.db2.gz BIRMTSDXGGACBG-STQMWFEESA-N 1 3 306.414 -0.295 20 0 DBADHO CN1CC[C@H]([NH2+]C[C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027218074 665308438 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DBADHO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000911519794 674735634 /nfs/dbraw/zinc/73/56/34/674735634.db2.gz KMUMTCADKJARFN-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)c1ccc2c(c1)OCCNC2 ZINC000911694411 674744383 /nfs/dbraw/zinc/74/43/83/674744383.db2.gz XJLUXSVMZHZHBT-UHFFFAOYSA-N 1 3 304.394 -0.196 20 0 DBADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3CC[N@H+](C)C3)C2)CCC1 ZINC000991728815 674883052 /nfs/dbraw/zinc/88/30/52/674883052.db2.gz NQCOJIFIMHXBEA-GFCCVEGCSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)C1(C(=O)N2CC(NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC000991728815 674883053 /nfs/dbraw/zinc/88/30/53/674883053.db2.gz NQCOJIFIMHXBEA-GFCCVEGCSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991730215 674884026 /nfs/dbraw/zinc/88/40/26/674884026.db2.gz QLABXEUOXBGATG-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991730215 674884027 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C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)C1(O)CCOCC1 ZINC000855346640 806073187 /nfs/dbraw/zinc/07/31/87/806073187.db2.gz HORQZAKXWADQFC-ZDUSSCGKSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)C1(O)CCOCC1 ZINC000855346640 806073197 /nfs/dbraw/zinc/07/31/97/806073197.db2.gz HORQZAKXWADQFC-ZDUSSCGKSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001317111873 806090049 /nfs/dbraw/zinc/09/00/49/806090049.db2.gz RUMVIUDUHFAMRQ-CZXHOFHRSA-N 1 3 324.425 -0.385 20 0 DBADHO C[NH+](C)CCC(=O)N1CCC[C@H](C(=O)NCCNCCF)C1 ZINC001317292485 806124842 /nfs/dbraw/zinc/12/48/42/806124842.db2.gz LMZBJPDNTNWCTO-ZDUSSCGKSA-N 1 3 316.421 -0.148 20 0 DBADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001317587637 806195784 /nfs/dbraw/zinc/19/57/84/806195784.db2.gz QGPQQTGYFSGGGF-AWEZNQCLSA-N 1 3 308.426 -0.392 20 0 DBADHO CN(CCNCC(=O)N1CCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317656183 806219168 /nfs/dbraw/zinc/21/91/68/806219168.db2.gz WFLZYEISNSJQHR-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO CN(CCNCC(=O)N1CCCC1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317656183 806219177 /nfs/dbraw/zinc/21/91/77/806219177.db2.gz WFLZYEISNSJQHR-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO [NH3+]C1(CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC000861573684 806275309 /nfs/dbraw/zinc/27/53/09/806275309.db2.gz JPWOXKBAXDSRLU-QWHCGFSZSA-N 1 3 312.414 -0.343 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861572399 806275560 /nfs/dbraw/zinc/27/55/60/806275560.db2.gz RENYQMRYIULPDS-OLZOCXBDSA-N 1 3 300.403 -0.615 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N(C)CCOCC[NH3+])N1CCCCC1 ZINC000861728865 806285816 /nfs/dbraw/zinc/28/58/16/806285816.db2.gz MEJLNYYCFZDCNO-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO O[C@@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)CN1CCCC1 ZINC000863553627 806363970 /nfs/dbraw/zinc/36/39/70/806363970.db2.gz GPVSZNHOAWRZMF-UONOGXRCSA-N 1 3 300.399 -0.045 20 0 DBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001319561495 806393935 /nfs/dbraw/zinc/39/39/35/806393935.db2.gz ACIGQPGESDQENE-RYUDHWBXSA-N 1 3 312.414 -0.430 20 0 DBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H](O)c1cnc[nH]1 ZINC000865799055 806423736 /nfs/dbraw/zinc/42/37/36/806423736.db2.gz GRTKYHZRXIVMTQ-CQSZACIVSA-N 1 3 309.414 -0.073 20 0 DBADHO Cn1ccc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1=O ZINC000866708844 806450379 /nfs/dbraw/zinc/45/03/79/806450379.db2.gz IBKWKWNICNUHDV-MCIONIFRSA-N 1 3 318.377 -0.248 20 0 DBADHO CCN(C)C(=O)CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711315 806452536 /nfs/dbraw/zinc/45/25/36/806452536.db2.gz HWEHDRLGJRZFLE-XQQFMLRXSA-N 1 3 310.398 -0.278 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CCc1ccnn1C ZINC001320298018 806473097 /nfs/dbraw/zinc/47/30/97/806473097.db2.gz CYCGRIQVQXNLQP-CYBMUJFWSA-N 1 3 320.397 -0.696 20 0 DBADHO CN1CCN(C(=O)C(=O)N2CC3CC2(C[NH3+])C3)CCC1(C)C ZINC000868406854 806552591 /nfs/dbraw/zinc/55/25/91/806552591.db2.gz QBMYYRLXLCABOW-UHFFFAOYSA-N 1 3 308.426 -0.121 20 0 DBADHO CN1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC1(C)C ZINC000868406479 806552810 /nfs/dbraw/zinc/55/28/10/806552810.db2.gz NCRUPWLPHZPAER-BETUJISGSA-N 1 3 308.426 -0.393 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001321222843 806589815 /nfs/dbraw/zinc/58/98/15/806589815.db2.gz MICBVOZETJBSRI-GZTOBOFZSA-N 1 3 313.402 -0.956 20 0 DBADHO C[C@H](C[NH2+]CCN1C(=O)CCC1=O)NC(=O)CN(C)C1CCC1 ZINC001321541672 806638398 /nfs/dbraw/zinc/63/83/98/806638398.db2.gz NAWVNJUBEBCTMZ-GFCCVEGCSA-N 1 3 324.425 -0.286 20 0 DBADHO [NH3+]C[C@H]1CN(CCC(=O)N2CCNCC2)C[C@@H]1C(F)(F)F ZINC000872150542 806646689 /nfs/dbraw/zinc/64/66/89/806646689.db2.gz FLLSDFTZWHUYKM-QWRGUYRKSA-N 1 3 308.348 -0.123 20 0 DBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N1CC[C@H](N3CCCC3)C1)C2 ZINC000872190240 806648638 /nfs/dbraw/zinc/64/86/38/806648638.db2.gz PAODVNNIXUFESY-GRDNDAEWSA-N 1 3 320.437 -0.249 20 0 DBADHO C[C@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001321627910 806648970 /nfs/dbraw/zinc/64/89/70/806648970.db2.gz NYXXQPXKBDMFNW-GHMZBOCLSA-N 1 3 310.398 -0.772 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001321977385 806695913 /nfs/dbraw/zinc/69/59/13/806695913.db2.gz BFGBVCYMVGQOGD-DMDPSCGWSA-N 1 3 312.414 -0.528 20 0 DBADHO CN(CCC[NH2+]CC(=O)NC(N)=O)C(=O)[C@H]1CCCCN1C ZINC001322571647 806755292 /nfs/dbraw/zinc/75/52/92/806755292.db2.gz XCWFUAGZFKMCGP-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CN(C)C[C@H](N)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000876774482 806804376 /nfs/dbraw/zinc/80/43/76/806804376.db2.gz XINSCAIKGHUSOE-HNNXBMFYSA-N 1 3 312.458 -0.021 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876965917 806816857 /nfs/dbraw/zinc/81/68/57/806816857.db2.gz NFFWQWCQUTZYMB-DGCLKSJQSA-N 1 3 302.394 -0.588 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1=O ZINC000877392543 806836283 /nfs/dbraw/zinc/83/62/83/806836283.db2.gz SGHVPGCVZFIVLE-WWGRRREGSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000649312276 803895976 /nfs/dbraw/zinc/89/59/76/803895976.db2.gz DXRLICRKNGTEGC-ZDUSSCGKSA-N 1 3 310.402 -0.517 20 0 DBADHO COCCNC(=O)C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000702652508 803913990 /nfs/dbraw/zinc/91/39/90/803913990.db2.gz LQFQMHIUHPQBSF-KRWDZBQOSA-N 1 3 321.421 -0.024 20 0 DBADHO O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC2(CN(CCO)C2)CC1 ZINC001035709432 815017171 /nfs/dbraw/zinc/01/71/71/815017171.db2.gz FPTVVTJZLRRIPH-GJZGRUSLSA-N 1 3 323.437 -0.234 20 0 DBADHO O=C([C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC2(CN(CCO)C2)CC1 ZINC001035709432 815017177 /nfs/dbraw/zinc/01/71/77/815017177.db2.gz FPTVVTJZLRRIPH-GJZGRUSLSA-N 1 3 323.437 -0.234 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCO ZINC001284415058 804699918 /nfs/dbraw/zinc/69/99/18/804699918.db2.gz ANMSPBPFFFHRMS-KBPBESRZSA-N 1 3 301.431 -0.350 20 0 DBADHO CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)[C@@H]1CCCN1C ZINC001284853765 804777320 /nfs/dbraw/zinc/77/73/20/804777320.db2.gz BLWXSEISNHYDFT-STQMWFEESA-N 1 3 312.414 -0.966 20 0 DBADHO CN(CCOCCNCc1cncn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284878359 804782610 /nfs/dbraw/zinc/78/26/10/804782610.db2.gz QAACRZFOUUJPBH-AWEZNQCLSA-N 1 3 323.441 -0.064 20 0 DBADHO CN(CCOCCNCc1cncn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284878359 804782614 /nfs/dbraw/zinc/78/26/14/804782614.db2.gz QAACRZFOUUJPBH-AWEZNQCLSA-N 1 3 323.441 -0.064 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001285596344 804923594 /nfs/dbraw/zinc/92/35/94/804923594.db2.gz YKAVHCAVEPWICT-BAABZTOOSA-N 1 3 320.437 -0.035 20 0 DBADHO COCC[C@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280086 807043676 /nfs/dbraw/zinc/04/36/76/807043676.db2.gz AYUMEUBOIBVLFR-VHSXEESVSA-N 1 3 312.336 -0.698 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817995866 805106996 /nfs/dbraw/zinc/10/69/96/805106996.db2.gz DYORRDNCJRZAFQ-CZUORRHYSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCOC1=O ZINC000824400771 805257040 /nfs/dbraw/zinc/25/70/40/805257040.db2.gz DRYYXYGXZRHTFA-LBPRGKRZSA-N 1 3 300.403 -0.173 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCOC1=O ZINC000824400771 805257044 /nfs/dbraw/zinc/25/70/44/805257044.db2.gz DRYYXYGXZRHTFA-LBPRGKRZSA-N 1 3 300.403 -0.173 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1=O ZINC000827318041 805334556 /nfs/dbraw/zinc/33/45/56/805334556.db2.gz DIHKIVYQOFSMBL-KFWWJZLASA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)CC1=O ZINC000827318041 805334564 /nfs/dbraw/zinc/33/45/64/805334564.db2.gz DIHKIVYQOFSMBL-KFWWJZLASA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1=O ZINC000827318044 805335420 /nfs/dbraw/zinc/33/54/20/805335420.db2.gz DIHKIVYQOFSMBL-ZNMIVQPWSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)CC1=O ZINC000827318044 805335431 /nfs/dbraw/zinc/33/54/31/805335431.db2.gz DIHKIVYQOFSMBL-ZNMIVQPWSA-N 1 3 322.453 -0.051 20 0 DBADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001292785036 805339825 /nfs/dbraw/zinc/33/98/25/805339825.db2.gz MYWSREZSSOOFGF-AWEZNQCLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)C[C@H]1C[NH3+] ZINC000884560317 807056612 /nfs/dbraw/zinc/05/66/12/807056612.db2.gz UFUFZKFZIRCXQY-AAVRWANBSA-N 1 3 324.425 -0.981 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCCC(C)(C)[NH3+])CCSC1 ZINC000884612664 807060230 /nfs/dbraw/zinc/06/02/30/807060230.db2.gz QVLVXPPIADCGNP-CQSZACIVSA-N 1 3 316.471 -0.217 20 0 DBADHO C[C@@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1=CCN(C)CC1 ZINC000884623866 807060773 /nfs/dbraw/zinc/06/07/73/807060773.db2.gz QOQXXENYXROBAW-HACGYAERSA-N 1 3 320.437 -0.179 20 0 DBADHO CCN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000884631341 807062068 /nfs/dbraw/zinc/06/20/68/807062068.db2.gz HERBEFAMDNWLOW-ZIAGYGMSSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1Cc2ccccc2CN1 ZINC000885157214 807086368 /nfs/dbraw/zinc/08/63/68/807086368.db2.gz IPWRHPWYVSRAEK-OAHLLOKOSA-N 1 3 318.421 -0.163 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000889761872 807202539 /nfs/dbraw/zinc/20/25/39/807202539.db2.gz HVRHZNAEBANEMH-JYJNAYRXSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889761872 807202542 /nfs/dbraw/zinc/20/25/42/807202542.db2.gz HVRHZNAEBANEMH-JYJNAYRXSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761873 807202605 /nfs/dbraw/zinc/20/26/05/807202605.db2.gz HVRHZNAEBANEMH-OAGGEKHMSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889761873 807202609 /nfs/dbraw/zinc/20/26/09/807202609.db2.gz HVRHZNAEBANEMH-OAGGEKHMSA-N 1 3 322.453 -0.566 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN([C@@H]2CCC(=O)NC2=O)CC1 ZINC001327144953 807244219 /nfs/dbraw/zinc/24/42/19/807244219.db2.gz BDJHFDFPCXKXOB-CHWSQXEVSA-N 1 3 324.425 -0.286 20 0 DBADHO C[NH+](C)CCNC(=S)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC000899664928 807266931 /nfs/dbraw/zinc/26/69/31/807266931.db2.gz UUKQQCRHBDXUJO-STQMWFEESA-N 1 3 300.472 -0.047 20 0 DBADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@H](O)CN2C)C1 ZINC000900015721 807280626 /nfs/dbraw/zinc/28/06/26/807280626.db2.gz YKUSTLGCWMVWEQ-SQWLQELKSA-N 1 3 313.442 -0.086 20 0 DBADHO CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@H](O)CN2C)C1 ZINC000900015721 807280632 /nfs/dbraw/zinc/28/06/32/807280632.db2.gz YKUSTLGCWMVWEQ-SQWLQELKSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327513614 807296146 /nfs/dbraw/zinc/29/61/46/807296146.db2.gz BXEGWCBRMHMQCR-AAEUAGOBSA-N 1 3 312.414 -0.933 20 0 DBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H](N)CC(F)F)C1 ZINC001328175005 807388622 /nfs/dbraw/zinc/38/86/22/807388622.db2.gz ROOWLOZCBQJPOI-VHSXEESVSA-N 1 3 306.357 -0.328 20 0 DBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H](N)CC(F)F)C1 ZINC001328175005 807388626 /nfs/dbraw/zinc/38/86/26/807388626.db2.gz ROOWLOZCBQJPOI-VHSXEESVSA-N 1 3 306.357 -0.328 20 0 DBADHO COCCCNC(=O)CN1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493724 807390840 /nfs/dbraw/zinc/39/08/40/807390840.db2.gz WCPWUZIOOYYLCI-ZOWXZIJZSA-N 1 3 313.398 -0.649 20 0 DBADHO NCc1cn([C@@H]2CCCN(C[C@@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000903761303 807409291 /nfs/dbraw/zinc/40/92/91/807409291.db2.gz PJRNDPOAQKGATC-CABCVRRESA-N 1 3 308.430 -0.170 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)C[C@H]1CC[NH3+] ZINC000903767831 807411129 /nfs/dbraw/zinc/41/11/29/807411129.db2.gz PEYPTSYRLIUECD-MGPQQGTHSA-N 1 3 310.442 -0.018 20 0 DBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2C[C@H]3COC[C@H]3O2)C1 ZINC000903778883 807413218 /nfs/dbraw/zinc/41/32/18/807413218.db2.gz RSEYEXRTNCIZGO-PMKSJIGOSA-N 1 3 323.393 -0.343 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905005770 807437003 /nfs/dbraw/zinc/43/70/03/807437003.db2.gz GDPYPHFXQDAASE-BLLLJJGKSA-N 1 3 308.426 -0.121 20 0 DBADHO COCCC[NH+]1CCC(NC[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905088298 807444821 /nfs/dbraw/zinc/44/48/21/807444821.db2.gz HVFKHQOILJPYSP-OAHLLOKOSA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)N1CCN(C)CC1 ZINC000906684123 807495370 /nfs/dbraw/zinc/49/53/70/807495370.db2.gz WWEMMICPPKTOGQ-CQSZACIVSA-N 1 3 311.474 -0.768 20 0 DBADHO C[C@H](CNC(=O)C1CN(C)CC[N@@H+](C)C1)N1CCN(C)CC1 ZINC000906684123 807495375 /nfs/dbraw/zinc/49/53/75/807495375.db2.gz WWEMMICPPKTOGQ-CQSZACIVSA-N 1 3 311.474 -0.768 20 0 DBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000908540167 807599099 /nfs/dbraw/zinc/59/90/99/807599099.db2.gz GPGBHSACJZDALY-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCCN(CCCO)C2)C1 ZINC000908540167 807599102 /nfs/dbraw/zinc/59/91/02/807599102.db2.gz GPGBHSACJZDALY-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C1CNCCS1(=O)=O ZINC000911790471 807621192 /nfs/dbraw/zinc/62/11/92/807621192.db2.gz QIQOOAZOZXNVNM-AWEZNQCLSA-N 1 3 323.418 -0.189 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001329838961 807628048 /nfs/dbraw/zinc/62/80/48/807628048.db2.gz XCKKODDCJHWTLF-UONOGXRCSA-N 1 3 324.425 -0.776 20 0 DBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@@H](O)Cn1cccn1 ZINC000923346335 807659794 /nfs/dbraw/zinc/65/97/94/807659794.db2.gz RMRLSLFYWMKOMW-UONOGXRCSA-N 1 3 309.414 -0.437 20 0 DBADHO CCOCC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923412757 807665607 /nfs/dbraw/zinc/66/56/07/807665607.db2.gz AQUYWGZAKNYWKY-SYQHCUMBSA-N 1 3 313.398 -0.359 20 0 DBADHO CNS(=O)(=O)C[C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923412121 807666393 /nfs/dbraw/zinc/66/63/93/807666393.db2.gz PFSACIUWPFSTSS-QWHCGFSZSA-N 1 3 317.455 -0.374 20 0 DBADHO CN(C)S(=O)(=O)CCN1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447016 807669699 /nfs/dbraw/zinc/66/96/99/807669699.db2.gz OXZCOTRTTCXAPN-GFCCVEGCSA-N 1 3 305.444 -0.292 20 0 DBADHO NC(=O)c1ccc(NC(=O)CCN2CCNCC[NH2+]CC2)cc1 ZINC000923462786 807670630 /nfs/dbraw/zinc/67/06/30/807670630.db2.gz AIHLXGGNIPKNAA-UHFFFAOYSA-N 1 3 319.409 -0.391 20 0 DBADHO O=S(=O)(NCC1([NH+]2CCCC2)CCOCC1)C1CNC1 ZINC000923607163 807685942 /nfs/dbraw/zinc/68/59/42/807685942.db2.gz WQRLWOYPUPBDTI-UHFFFAOYSA-N 1 3 303.428 -0.477 20 0 DBADHO C[C@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C2CNC2)CC1 ZINC000923614696 807688453 /nfs/dbraw/zinc/68/84/53/807688453.db2.gz HMGJPULMHLGQKJ-NSHDSACASA-N 1 3 305.444 -0.687 20 0 DBADHO [NH3+][C@H]1CCO[C@H](C2CCN(S(=O)(=O)C3CNC3)CC2)C1 ZINC000923646468 807695322 /nfs/dbraw/zinc/69/53/22/807695322.db2.gz KIYIYEYCNWFKGZ-AAEUAGOBSA-N 1 3 303.428 -0.494 20 0 DBADHO [NH3+][C@H]1CCCO[C@H]1C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923648516 807696125 /nfs/dbraw/zinc/69/61/25/807696125.db2.gz TYWFPEWOEAFVTH-STQMWFEESA-N 1 3 303.428 -0.494 20 0 DBADHO [NH3+][C@@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1C(F)(F)F ZINC000923677687 807702953 /nfs/dbraw/zinc/70/29/53/807702953.db2.gz NAZAJYOZOZRJOD-DTWKUNHWSA-N 1 3 316.349 -0.652 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(CCN2CCC([NH+](C)C)CC2)C1=O ZINC000925340798 807734891 /nfs/dbraw/zinc/73/48/91/807734891.db2.gz ZZCKBZXFXHIDTJ-CYBMUJFWSA-N 1 3 311.430 -0.506 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925357324 807736489 /nfs/dbraw/zinc/73/64/89/807736489.db2.gz VRUSSWHQYGTABW-JHJVBQTASA-N 1 3 311.430 -0.160 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000925357324 807736494 /nfs/dbraw/zinc/73/64/94/807736494.db2.gz VRUSSWHQYGTABW-JHJVBQTASA-N 1 3 311.430 -0.160 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925357326 807737145 /nfs/dbraw/zinc/73/71/45/807737145.db2.gz VRUSSWHQYGTABW-UPJWGTAASA-N 1 3 311.430 -0.160 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1C ZINC000925357326 807737147 /nfs/dbraw/zinc/73/71/47/807737147.db2.gz VRUSSWHQYGTABW-UPJWGTAASA-N 1 3 311.430 -0.160 20 0 DBADHO O[C@H](CN[C@@H]1C[NH2+]CCOC1)CN1CCc2ccccc2C1 ZINC000925604502 807745750 /nfs/dbraw/zinc/74/57/50/807745750.db2.gz KNBXTHRQUAOWQL-IAGOWNOFSA-N 1 3 305.422 -0.016 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000926332542 807761042 /nfs/dbraw/zinc/76/10/42/807761042.db2.gz KPQPCSHGJKRHKK-CYBMUJFWSA-N 1 3 314.430 -0.780 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@H]2CCCN2C)CC[C@@H]1C[NH3+] ZINC000926383804 807766960 /nfs/dbraw/zinc/76/69/60/807766960.db2.gz WLCWIDPWIOKNNB-MGPQQGTHSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001331745391 807823933 /nfs/dbraw/zinc/82/39/33/807823933.db2.gz OJPOBLZHSJGICD-IACUBPJLSA-N 1 3 324.425 -0.778 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)C[C@@H]21 ZINC001332132344 807875954 /nfs/dbraw/zinc/87/59/54/807875954.db2.gz UAYDDWMDAUMIKS-MQYQWHSLSA-N 1 3 306.410 -0.498 20 0 DBADHO CCN1CCN(CCC[NH2+][C@H]2C(=O)NCC23CCOCC3)CC1 ZINC001332362730 807905723 /nfs/dbraw/zinc/90/57/23/807905723.db2.gz ZSLLIHBRFRADNP-HNNXBMFYSA-N 1 3 324.469 -0.101 20 0 DBADHO COC(=O)Cn1cc(CCN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)nn1 ZINC000931437658 807921013 /nfs/dbraw/zinc/92/10/13/807921013.db2.gz GNUWMNOBAIHCGP-QWHCGFSZSA-N 1 3 307.398 -0.123 20 0 DBADHO COC(=O)Cn1cc(CCN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)nn1 ZINC000931437658 807921016 /nfs/dbraw/zinc/92/10/16/807921016.db2.gz GNUWMNOBAIHCGP-QWHCGFSZSA-N 1 3 307.398 -0.123 20 0 DBADHO CN1CCN(CCCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC001332976954 808002300 /nfs/dbraw/zinc/00/23/00/808002300.db2.gz UUULCLVRAUEBRP-RYUDHWBXSA-N 1 3 304.385 -0.030 20 0 DBADHO CN(C)C[C@@H](O)C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001333464865 808065731 /nfs/dbraw/zinc/06/57/31/808065731.db2.gz FVKZRGJRBPQPQN-INIZCTEOSA-N 1 3 314.474 -0.705 20 0 DBADHO CN1CC[C@H]2CN(C(=O)C(=O)N3C[C@H]4C[N@H+](C)C[C@@]4(C)C3)C[C@H]21 ZINC001335137147 808242590 /nfs/dbraw/zinc/24/25/90/808242590.db2.gz NHUGYASYLXTIIR-CFAJVAMVSA-N 1 3 320.437 -0.441 20 0 DBADHO CN1CC[C@H]2CN(C(=O)C(=O)N3C[C@H]4C[N@@H+](C)C[C@@]4(C)C3)C[C@H]21 ZINC001335137147 808242594 /nfs/dbraw/zinc/24/25/94/808242594.db2.gz NHUGYASYLXTIIR-CFAJVAMVSA-N 1 3 320.437 -0.441 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001335383750 808284099 /nfs/dbraw/zinc/28/40/99/808284099.db2.gz HKCUYGJCTRPUCX-LSDHHAIUSA-N 1 3 301.431 -0.884 20 0 DBADHO COCC[NH2+]CCNC(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001335550947 808296616 /nfs/dbraw/zinc/29/66/16/808296616.db2.gz GJAOTVORUCRVDJ-KBPBESRZSA-N 1 3 314.430 -0.537 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337403379 808451809 /nfs/dbraw/zinc/45/18/09/808451809.db2.gz PXBLGMAXOIEPOD-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)C1 ZINC000950077761 808587081 /nfs/dbraw/zinc/58/70/81/808587081.db2.gz UMUGUPUCUFKQPL-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)C1 ZINC000950077761 808587086 /nfs/dbraw/zinc/58/70/86/808587086.db2.gz UMUGUPUCUFKQPL-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[NH2+]C[C@@H](O)[C@H](C)C(=O)NCCCCN1CCN(C)CC1 ZINC001340892390 808662630 /nfs/dbraw/zinc/66/26/30/808662630.db2.gz FGCCOLZEDVOUNF-UONOGXRCSA-N 1 3 300.447 -0.653 20 0 DBADHO CN1CCN(CCCNC(=O)C2=NOC3(C2)CC[NH2+]CC3)CC1 ZINC001340895613 808662650 /nfs/dbraw/zinc/66/26/50/808662650.db2.gz QPOSWEBRKDTFFW-UHFFFAOYSA-N 1 3 323.441 -0.361 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951233569 808783103 /nfs/dbraw/zinc/78/31/03/808783103.db2.gz KBLVAIGCOBXMJF-KBPBESRZSA-N 1 3 320.437 -0.107 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951233571 808783223 /nfs/dbraw/zinc/78/32/23/808783223.db2.gz KBLVAIGCOBXMJF-UONOGXRCSA-N 1 3 320.437 -0.107 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954319071 809214193 /nfs/dbraw/zinc/21/41/93/809214193.db2.gz GIJZNGVRPPYHBR-LLVKDONJSA-N 1 3 305.382 -0.427 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954319071 809214197 /nfs/dbraw/zinc/21/41/97/809214197.db2.gz GIJZNGVRPPYHBR-LLVKDONJSA-N 1 3 305.382 -0.427 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325011 809217911 /nfs/dbraw/zinc/21/79/11/809217911.db2.gz VCPDLQRZZWWYCU-DZGCQCFKSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325011 809217913 /nfs/dbraw/zinc/21/79/13/809217913.db2.gz VCPDLQRZZWWYCU-DZGCQCFKSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954841227 809301036 /nfs/dbraw/zinc/30/10/36/809301036.db2.gz WFBWRVKSLAMOMN-LBPRGKRZSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954841227 809301043 /nfs/dbraw/zinc/30/10/43/809301043.db2.gz WFBWRVKSLAMOMN-LBPRGKRZSA-N 1 3 319.409 -0.037 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000955350384 809399381 /nfs/dbraw/zinc/39/93/81/809399381.db2.gz SKPRHKJZQVDKMM-BXUZGUMPSA-N 1 3 319.409 -0.181 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000955350384 809399385 /nfs/dbraw/zinc/39/93/85/809399385.db2.gz SKPRHKJZQVDKMM-BXUZGUMPSA-N 1 3 319.409 -0.181 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955443797 809417567 /nfs/dbraw/zinc/41/75/67/809417567.db2.gz ANYSQGJTDFCAMC-SMDDNHRTSA-N 1 3 319.409 -0.181 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955443797 809417570 /nfs/dbraw/zinc/41/75/70/809417570.db2.gz ANYSQGJTDFCAMC-SMDDNHRTSA-N 1 3 319.409 -0.181 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)CC1 ZINC000958555480 809956013 /nfs/dbraw/zinc/95/60/13/809956013.db2.gz KSHOKFYSIRBIAI-CABCVRRESA-N 1 3 313.442 -0.492 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC000960087024 810149457 /nfs/dbraw/zinc/14/94/57/810149457.db2.gz MORZVGQMPPYWRT-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000961775713 810367052 /nfs/dbraw/zinc/36/70/52/810367052.db2.gz VLRUSYSMWZRNRT-TTZDDIAXSA-N 1 3 318.425 -0.191 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000961775713 810367059 /nfs/dbraw/zinc/36/70/59/810367059.db2.gz VLRUSYSMWZRNRT-TTZDDIAXSA-N 1 3 318.425 -0.191 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CC3(C2)CC([NH2+]CC(N)=O)C3)C1 ZINC000965062185 810825102 /nfs/dbraw/zinc/82/51/02/810825102.db2.gz HFLCBEWIFKXNGS-KWDKGFIESA-N 1 3 308.426 -0.170 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000967926510 811319635 /nfs/dbraw/zinc/31/96/35/811319635.db2.gz XIRPDVOLBOAUHU-OLZOCXBDSA-N 1 3 309.414 -0.704 20 0 DBADHO CN(CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC000968921605 811513836 /nfs/dbraw/zinc/51/38/36/811513836.db2.gz BBVIGFNMVXKFNJ-TZMCWYRMSA-N 1 3 308.426 -0.108 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC000969076982 811544746 /nfs/dbraw/zinc/54/47/46/811544746.db2.gz HBPPHUJHDUOSLJ-CHWSQXEVSA-N 1 3 324.425 -0.334 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001004451045 811983241 /nfs/dbraw/zinc/98/32/41/811983241.db2.gz YPYIXLUIALFAIZ-SMDDNHRTSA-N 1 3 319.409 -0.276 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001004451045 811983247 /nfs/dbraw/zinc/98/32/47/811983247.db2.gz YPYIXLUIALFAIZ-SMDDNHRTSA-N 1 3 319.409 -0.276 20 0 DBADHO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006116139 812160627 /nfs/dbraw/zinc/16/06/27/812160627.db2.gz AFLAJQHVAPXMPK-NEPJUHHUSA-N 1 3 319.409 -0.133 20 0 DBADHO C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006116139 812160633 /nfs/dbraw/zinc/16/06/33/812160633.db2.gz 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C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049058370 817519028 /nfs/dbraw/zinc/51/90/28/817519028.db2.gz XJYFIZUGCJEXOF-XQLPTFJDSA-N 1 3 320.437 -0.251 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049059504 817519700 /nfs/dbraw/zinc/51/97/00/817519700.db2.gz RSLOFDLOKXYTJW-ZQDZILKHSA-N 1 3 322.453 -0.147 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)C[C@@H]2C1 ZINC001049059504 817519702 /nfs/dbraw/zinc/51/97/02/817519702.db2.gz RSLOFDLOKXYTJW-ZQDZILKHSA-N 1 3 322.453 -0.147 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049083542 817526733 /nfs/dbraw/zinc/52/67/33/817526733.db2.gz HYALZCCPHFUXDJ-MBNYWOFBSA-N 1 3 317.393 -0.379 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001049083542 817526737 /nfs/dbraw/zinc/52/67/37/817526737.db2.gz HYALZCCPHFUXDJ-MBNYWOFBSA-N 1 3 317.393 -0.379 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049083557 817527106 /nfs/dbraw/zinc/52/71/06/817527106.db2.gz IQGXVOBJBNSBBB-LOWVWBTDSA-N 1 3 303.366 -0.769 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001049083557 817527109 /nfs/dbraw/zinc/52/71/09/817527109.db2.gz IQGXVOBJBNSBBB-LOWVWBTDSA-N 1 3 303.366 -0.769 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049174050 817551045 /nfs/dbraw/zinc/55/10/45/817551045.db2.gz LWSWDBGXYMOAQE-HZSPNIEDSA-N 1 3 320.437 -0.264 20 0 DBADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049215128 817562166 /nfs/dbraw/zinc/56/21/66/817562166.db2.gz KFWHPPNRHWEQJP-BARDWOONSA-N 1 3 322.453 -0.195 20 0 DBADHO C[C@H](C(=O)N(C)C)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049215128 817562172 /nfs/dbraw/zinc/56/21/72/817562172.db2.gz KFWHPPNRHWEQJP-BARDWOONSA-N 1 3 322.453 -0.195 20 0 DBADHO 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/nfs/dbraw/zinc/60/35/62/821603562.db2.gz XKIJQCPOBLRVKE-DZGCQCFKSA-N 1 3 321.425 -0.417 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)n1 ZINC001077014315 821968525 /nfs/dbraw/zinc/96/85/25/821968525.db2.gz PHAFJXRMHDTADZ-HUUCEWRRSA-N 1 3 321.425 -0.370 20 0 DBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418293 822106093 /nfs/dbraw/zinc/10/60/93/822106093.db2.gz MNUBLSZREIORGN-WBDXWENLSA-N 1 3 309.410 -0.581 20 0 DBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418293 822106099 /nfs/dbraw/zinc/10/60/99/822106099.db2.gz MNUBLSZREIORGN-WBDXWENLSA-N 1 3 309.410 -0.581 20 0 DBADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818475 822232089 /nfs/dbraw/zinc/23/20/89/822232089.db2.gz XRAHXOPOKVWAQD-HUUCEWRRSA-N 1 3 323.441 -0.124 20 0 DBADHO C[C@@H]1CN(CCCO)C[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001079717371 823954205 /nfs/dbraw/zinc/95/42/05/823954205.db2.gz FBVFATKMGAPPGV-UKRRQHHQSA-N 1 3 323.441 -0.123 20 0 DBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001080161218 824008558 /nfs/dbraw/zinc/00/85/58/824008558.db2.gz ROLSFTQCJNYLDV-JCLLTIBYSA-N 1 3 309.410 -0.722 20 0 DBADHO C[C@@H]1CN(CCO)C[C@H]1NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001080161218 824008564 /nfs/dbraw/zinc/00/85/64/824008564.db2.gz ROLSFTQCJNYLDV-JCLLTIBYSA-N 1 3 309.410 -0.722 20 0 DBADHO CCN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001080630908 824067374 /nfs/dbraw/zinc/06/73/74/824067374.db2.gz VJWCOKGMCSVMHI-LBPRGKRZSA-N 1 3 319.409 -0.037 20 0 DBADHO CCN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001080630908 824067375 /nfs/dbraw/zinc/06/73/75/824067375.db2.gz VJWCOKGMCSVMHI-LBPRGKRZSA-N 1 3 319.409 -0.037 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001082589011 824452508 /nfs/dbraw/zinc/45/25/08/824452508.db2.gz CNTLLMQVYPTMAS-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1N[C@H]1CCN(C)C1=O ZINC001082863419 824468378 /nfs/dbraw/zinc/46/83/78/824468378.db2.gz BABZKSOPZQTLRG-HZSPNIEDSA-N 1 3 320.437 -0.251 20 0 DBADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082859981 824468569 /nfs/dbraw/zinc/46/85/69/824468569.db2.gz SMGDSSFSGFECEI-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082859981 824468572 /nfs/dbraw/zinc/46/85/72/824468572.db2.gz SMGDSSFSGFECEI-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)CN1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470447 824640289 /nfs/dbraw/zinc/64/02/89/824640289.db2.gz SOTSAJZFNDXORF-CABCVRRESA-N 1 3 323.441 -0.124 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001114413702 828690244 /nfs/dbraw/zinc/69/02/44/828690244.db2.gz FMPNRHNXRQGAMK-CTASWTNQSA-N 1 3 320.437 -0.252 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)C1CCC1 ZINC001114413702 828690246 /nfs/dbraw/zinc/69/02/46/828690246.db2.gz FMPNRHNXRQGAMK-CTASWTNQSA-N 1 3 320.437 -0.252 20 0 DBADHO C[C@@H](O)C[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001083961915 824843444 /nfs/dbraw/zinc/84/34/44/824843444.db2.gz NAYJEIQDHZZUBO-QKCSRTOESA-N 1 3 308.382 -0.697 20 0 DBADHO C[C@@H](O)C[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001083961915 824843450 /nfs/dbraw/zinc/84/34/50/824843450.db2.gz NAYJEIQDHZZUBO-QKCSRTOESA-N 1 3 308.382 -0.697 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001114778811 828742197 /nfs/dbraw/zinc/74/21/97/828742197.db2.gz RXWCBEMOFRNBKX-IMRBUKKESA-N 1 3 309.414 -0.990 20 0 DBADHO C[C@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086153250 825187427 /nfs/dbraw/zinc/18/74/27/825187427.db2.gz ZURLZJSKJFOYFW-IHRRUINESA-N 1 3 323.437 -0.285 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)C1 ZINC001114831886 828749100 /nfs/dbraw/zinc/74/91/00/828749100.db2.gz HZPNSVLOCWWSPC-TTZDDIAXSA-N 1 3 311.426 -0.617 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)C1 ZINC001114831886 828749101 /nfs/dbraw/zinc/74/91/01/828749101.db2.gz HZPNSVLOCWWSPC-TTZDDIAXSA-N 1 3 311.426 -0.617 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114832804 828749644 /nfs/dbraw/zinc/74/96/44/828749644.db2.gz YNRPEQITQCDRBX-NYTXWWLZSA-N 1 3 311.426 -0.474 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114832804 828749646 /nfs/dbraw/zinc/74/96/46/828749646.db2.gz YNRPEQITQCDRBX-NYTXWWLZSA-N 1 3 311.426 -0.474 20 0 DBADHO C[C@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086432605 825257063 /nfs/dbraw/zinc/25/70/63/825257063.db2.gz ZURLZJSKJFOYFW-PYACGEHLSA-N 1 3 323.437 -0.285 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001086534205 825282732 /nfs/dbraw/zinc/28/27/32/825282732.db2.gz UZRIGKJHUPTTJE-JOCQHMNTSA-N 1 3 318.425 -0.105 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001114997736 828773765 /nfs/dbraw/zinc/77/37/65/828773765.db2.gz NGVJOKKGQAEBSR-KNCOVGOOSA-N 1 3 322.453 -0.005 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(CC)C3=O)C[C@H]21 ZINC001114997736 828773766 /nfs/dbraw/zinc/77/37/66/828773766.db2.gz NGVJOKKGQAEBSR-KNCOVGOOSA-N 1 3 322.453 -0.005 20 0 DBADHO O=C(N[C@@H]1[C@H]2CN(CCOCCO)C[C@H]21)C12CC[NH+](CC1)C2 ZINC001115123338 828790194 /nfs/dbraw/zinc/79/01/94/828790194.db2.gz NWUHYDVOTDRQEH-WDNDVIMCSA-N 1 3 309.410 -0.863 20 0 DBADHO COCCN1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393241 825673920 /nfs/dbraw/zinc/67/39/20/825673920.db2.gz HXUMJAYURSGLNG-ZIAGYGMSSA-N 1 3 311.426 -0.187 20 0 DBADHO COCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115242065 828812526 /nfs/dbraw/zinc/81/25/26/828812526.db2.gz UUZAZVXMKDTCAU-KBXIAJHMSA-N 1 3 311.426 -0.353 20 0 DBADHO COCCOCCN1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115242065 828812528 /nfs/dbraw/zinc/81/25/28/828812528.db2.gz UUZAZVXMKDTCAU-KBXIAJHMSA-N 1 3 311.426 -0.353 20 0 DBADHO C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CCN(CCO)C[C@H]1O ZINC001090830658 825863218 /nfs/dbraw/zinc/86/32/18/825863218.db2.gz NZASOXZEPLSPDZ-JKSUJKDBSA-N 1 3 321.421 -0.095 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161248558 832994182 /nfs/dbraw/zinc/99/41/82/832994182.db2.gz YIVVLMLKLIMBJO-ZDUSSCGKSA-N 1 3 321.429 -0.421 20 0 DBADHO C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001092838371 826068397 /nfs/dbraw/zinc/06/83/97/826068397.db2.gz OQEDIKBSXWXOQN-QVCPJDEESA-N 1 3 323.437 -0.474 20 0 DBADHO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001092838371 826068405 /nfs/dbraw/zinc/06/84/05/826068405.db2.gz OQEDIKBSXWXOQN-QVCPJDEESA-N 1 3 323.437 -0.474 20 0 DBADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001092935117 826076047 /nfs/dbraw/zinc/07/60/47/826076047.db2.gz QMCOXJSEBMNCRQ-YUELXQCFSA-N 1 3 322.453 -0.099 20 0 DBADHO [NH3+]C1CCN([C@@H]2CCN(C(=O)c3n[nH]c4c3CCNC4)C2)CC1 ZINC001161378954 833009287 /nfs/dbraw/zinc/00/92/87/833009287.db2.gz BVEBVWMGKMHSEY-GFCCVEGCSA-N 1 3 318.425 -0.307 20 0 DBADHO N[C@@H](Cn1cccn1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161371192 833007888 /nfs/dbraw/zinc/00/78/88/833007888.db2.gz BMYQDHSOONHPEY-KGLIPLIRSA-N 1 3 306.414 -0.766 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380849 833011773 /nfs/dbraw/zinc/01/17/73/833011773.db2.gz WBVUTKDAGRHOEK-RRMDADRESA-N 1 3 316.471 -0.894 20 0 DBADHO CCOC(=O)[C@@H](N)C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444487 833017385 /nfs/dbraw/zinc/01/73/85/833017385.db2.gz IRPYQIRZCVBOIO-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C)CCN(C(=O)Cn1cccc(N)c1=O)[C@@H]1CCC[NH2+]C1 ZINC001161446189 833017924 /nfs/dbraw/zinc/01/79/24/833017924.db2.gz QXZBDVJCZJVBMH-CYBMUJFWSA-N 1 3 321.425 -0.427 20 0 DBADHO C[C@@H]1CN(C2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C2)C[C@@H](C)O1 ZINC001161500686 833028908 /nfs/dbraw/zinc/02/89/08/833028908.db2.gz YEFMMPULQBHEOM-JMSVASOKSA-N 1 3 310.442 -0.367 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)C(N)C(F)(F)F)CC2 ZINC001161481526 833023496 /nfs/dbraw/zinc/02/34/96/833023496.db2.gz YFHUHOKMWLXRNX-LAEOZQHASA-N 1 3 309.288 -0.370 20 0 DBADHO C[C@@H]1CN(C2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC001161500689 833029268 /nfs/dbraw/zinc/02/92/68/833029268.db2.gz YEFMMPULQBHEOM-ZOWXZIJZSA-N 1 3 310.442 -0.367 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC[C@@H]21 ZINC001161483808 833025356 /nfs/dbraw/zinc/02/53/56/833025356.db2.gz PDHXUOZPGMADNA-AGIUHOORSA-N 1 3 306.410 -0.735 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001161491365 833026479 /nfs/dbraw/zinc/02/64/79/833026479.db2.gz DERXMJNFRRXEPN-GARJFASQSA-N 1 3 301.387 -0.509 20 0 DBADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@H](N)CCC[NH3+])CC2 ZINC001161572236 833036163 /nfs/dbraw/zinc/03/61/63/833036163.db2.gz GUMZNGJIQVERQS-GFCCVEGCSA-N 1 3 306.366 -0.181 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601640 833041058 /nfs/dbraw/zinc/04/10/58/833041058.db2.gz IKANSAAUVQBNNX-RWMBFGLXSA-N 1 3 302.394 -0.676 20 0 DBADHO CN1CC[C@@H](NC/C=C/CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001274511636 833088189 /nfs/dbraw/zinc/08/81/89/833088189.db2.gz PTNXJLKGCGLZTL-YWVDXFKGSA-N 1 3 306.410 -0.425 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001099894438 826717280 /nfs/dbraw/zinc/71/72/80/826717280.db2.gz KZHQUDYXYVDGLN-QWHCGFSZSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCOC)C[C@H]1O ZINC001099894438 826717285 /nfs/dbraw/zinc/71/72/85/826717285.db2.gz KZHQUDYXYVDGLN-QWHCGFSZSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)OCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989268 826761414 /nfs/dbraw/zinc/76/14/14/826761414.db2.gz PWCKXGKTDSZJNN-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO CCOC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274566284 833101530 /nfs/dbraw/zinc/10/15/30/833101530.db2.gz NXRQWWRLKMJRFK-HOCLYGCPSA-N 1 3 313.442 -0.130 20 0 DBADHO CCOC[C@@H](O)C[N@H+]1CC[C@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274566284 833101535 /nfs/dbraw/zinc/10/15/35/833101535.db2.gz NXRQWWRLKMJRFK-HOCLYGCPSA-N 1 3 313.442 -0.130 20 0 DBADHO COCCN1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076537 826829571 /nfs/dbraw/zinc/82/95/71/826829571.db2.gz MXOMRFHVIWGCJY-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(CCCO)C[C@H]1O ZINC001100127789 826879954 /nfs/dbraw/zinc/87/99/54/826879954.db2.gz YVCHVKWKEMKPIF-LSDHHAIUSA-N 1 3 313.442 -0.204 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872630 833122040 /nfs/dbraw/zinc/12/20/40/833122040.db2.gz YQOLMWGHLLLWLH-ISGSLZAZSA-N 1 3 324.425 -0.920 20 0 DBADHO O=C(NCCC[NH2+]C[C@@H]1CCOC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872439 833122264 /nfs/dbraw/zinc/12/22/64/833122264.db2.gz RZIKUEOKJABXDP-BOLLXYOYSA-N 1 3 323.437 -0.018 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100377621 826951215 /nfs/dbraw/zinc/95/12/15/826951215.db2.gz GPNDLJXNBGAOPD-WXRRBKDZSA-N 1 3 316.421 -0.103 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100377620 826951244 /nfs/dbraw/zinc/95/12/44/826951244.db2.gz GPNDLJXNBGAOPD-BPCQOVAHSA-N 1 3 316.421 -0.103 20 0 DBADHO Cn1cncc1N1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274759853 833125915 /nfs/dbraw/zinc/12/59/15/833125915.db2.gz WMXXGKVHOQHWPX-HNNXBMFYSA-N 1 3 307.398 -0.211 20 0 DBADHO CN(C)C(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100408208 826960502 /nfs/dbraw/zinc/96/05/02/826960502.db2.gz YNCZVLIRWOKQBT-HGMXIMQMSA-N 1 3 310.442 -0.101 20 0 DBADHO O=C(NCC1CC([NH2+]CCCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001100522790 826978786 /nfs/dbraw/zinc/97/87/86/826978786.db2.gz GOQSVIJVOPPAFZ-UZZMVUAXSA-N 1 3 323.437 -0.284 20 0 DBADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001100678529 827000806 /nfs/dbraw/zinc/00/08/06/827000806.db2.gz OBLWCCQTOKJLKR-HSBZDZAISA-N 1 3 310.442 -0.051 20 0 DBADHO O=C1C[C@H]2[NH2+]CC[C@@]2(Nc2cnccc2N2CCOCC2)N1 ZINC001163248359 833142142 /nfs/dbraw/zinc/14/21/42/833142142.db2.gz HEZAKASOWRACDY-UKRRQHHQSA-N 1 3 303.366 -0.092 20 0 DBADHO CC(C)N(C)CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001101036682 827065963 /nfs/dbraw/zinc/06/59/63/827065963.db2.gz YIBQFOHPJQWVDT-UHFFFAOYSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001275085257 833149943 /nfs/dbraw/zinc/14/99/43/833149943.db2.gz RCEUQJCGDNPYLH-CHWSQXEVSA-N 1 3 308.426 -0.393 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101443957 827107813 /nfs/dbraw/zinc/10/78/13/827107813.db2.gz RHMHXEMTDBYXLA-CPUCHLNUSA-N 1 3 322.453 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101443957 827107817 /nfs/dbraw/zinc/10/78/17/827107817.db2.gz RHMHXEMTDBYXLA-CPUCHLNUSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C[C@@H]4CCC(=O)N4)CC3)[C@@H]2C1 ZINC001275187478 833157295 /nfs/dbraw/zinc/15/72/95/833157295.db2.gz QOBMIUWRIAELSO-YNEHKIRRSA-N 1 3 306.410 -0.593 20 0 DBADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C[C@@H]4CCC(=O)N4)CC3)[C@@H]2C1 ZINC001275187478 833157299 /nfs/dbraw/zinc/15/72/99/833157299.db2.gz QOBMIUWRIAELSO-YNEHKIRRSA-N 1 3 306.410 -0.593 20 0 DBADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001102288682 827194360 /nfs/dbraw/zinc/19/43/60/827194360.db2.gz PTCKGVHRPPKBTO-FRRDWIJNSA-N 1 3 310.442 -0.114 20 0 DBADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102781966 827246637 /nfs/dbraw/zinc/24/66/37/827246637.db2.gz FKRHIZANCVZTNP-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@@H]2CCCN2C)C1 ZINC001102781966 827246647 /nfs/dbraw/zinc/24/66/47/827246647.db2.gz FKRHIZANCVZTNP-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103722401 827296660 /nfs/dbraw/zinc/29/66/60/827296660.db2.gz LSFOBYMARNHLFD-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)CN2CCCC2)C1 ZINC001103722401 827296665 /nfs/dbraw/zinc/29/66/65/827296665.db2.gz LSFOBYMARNHLFD-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO CCCNCc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105361341 827438247 /nfs/dbraw/zinc/43/82/47/827438247.db2.gz XCPNXVPACJYZJF-UHFFFAOYSA-N 1 3 324.429 -0.261 20 0 DBADHO CN(CCC[NH2+]CCNS(C)(=O)=O)C(=O)[C@@H]1CCCN1C ZINC001275914954 833221232 /nfs/dbraw/zinc/22/12/32/833221232.db2.gz IEJULIAUEVXUFL-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)C[C@H]1C ZINC001106666894 827667720 /nfs/dbraw/zinc/66/77/20/827667720.db2.gz YQMTZCWSVORNPD-MGPQQGTHSA-N 1 3 310.442 -0.242 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001106704879 827670467 /nfs/dbraw/zinc/67/04/67/827670467.db2.gz GYTNTTIGJATXCY-BZPMIXESSA-N 1 3 310.398 -0.356 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001106704738 827670693 /nfs/dbraw/zinc/67/06/93/827670693.db2.gz AUCMZFZPQNQUPX-CHWSQXEVSA-N 1 3 319.409 -0.131 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CCn1cncn1 ZINC001106705274 827671862 /nfs/dbraw/zinc/67/18/62/827671862.db2.gz ZQRBFGWNZMDBOR-CHWSQXEVSA-N 1 3 317.397 -0.072 20 0 DBADHO [NH3+]C1CCN(c2ccnc(N3CC[C@@H]4NCCO[C@H]4C3)n2)CC1 ZINC001165271019 833233508 /nfs/dbraw/zinc/23/35/08/833233508.db2.gz NBXHNEYHJONPMF-KBPBESRZSA-N 1 3 318.425 -0.029 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001107040911 827695274 /nfs/dbraw/zinc/69/52/74/827695274.db2.gz SOIHMQKIURVIKV-MCIONIFRSA-N 1 3 310.442 -0.101 20 0 DBADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001276070075 833242428 /nfs/dbraw/zinc/24/24/28/833242428.db2.gz BARVAVDBJUFRRI-VXGBXAGGSA-N 1 3 312.414 -0.430 20 0 DBADHO CNC(=O)C[NH2+]CC1(CCNC(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001165485511 833250352 /nfs/dbraw/zinc/25/03/52/833250352.db2.gz YDJFHNSCZMEEHI-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001166677626 833277560 /nfs/dbraw/zinc/27/75/60/833277560.db2.gz KZCAOOKOALENLY-GJZGRUSLSA-N 1 3 323.441 -0.318 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001166677696 833277628 /nfs/dbraw/zinc/27/76/28/833277628.db2.gz LCGBXXBNXAACNC-ZDUSSCGKSA-N 1 3 311.430 -0.551 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCN2CCNC2=O)C1 ZINC001166677695 833277675 /nfs/dbraw/zinc/27/76/75/833277675.db2.gz LCGBXXBNXAACNC-CYBMUJFWSA-N 1 3 311.430 -0.551 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001168763618 833328389 /nfs/dbraw/zinc/32/83/89/833328389.db2.gz QWLFFIYJPHQGMZ-JTQLQIEISA-N 1 3 301.391 -0.993 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001171763202 833374716 /nfs/dbraw/zinc/37/47/16/833374716.db2.gz VHJJEZVNIWCSHL-UHFFFAOYSA-N 1 3 307.460 -0.141 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001171756930 833374168 /nfs/dbraw/zinc/37/41/68/833374168.db2.gz BRWYREKMQIJWGP-UHFFFAOYSA-N 1 3 322.413 -0.147 20 0 DBADHO CN(C)CCOCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC001119239903 829240006 /nfs/dbraw/zinc/24/00/06/829240006.db2.gz PLZFFLHYJGCWCZ-HXUWFJFHSA-N 1 3 305.444 -0.819 20 0 DBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119409457 829258657 /nfs/dbraw/zinc/25/86/57/829258657.db2.gz OIMLDFBQTCCATN-XUXIUFHCSA-N 1 3 308.426 -0.204 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[N@@H+](C)C2)no1 ZINC001176072549 833399806 /nfs/dbraw/zinc/39/98/06/833399806.db2.gz XZHDBLAWJLQHEL-LBPRGKRZSA-N 1 3 323.397 -0.031 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)[C@H]2CC[N@H+](C)C2)no1 ZINC001176072549 833399809 /nfs/dbraw/zinc/39/98/09/833399809.db2.gz XZHDBLAWJLQHEL-LBPRGKRZSA-N 1 3 323.397 -0.031 20 0 DBADHO O=C(C[NH2+]CCCNC(=O)CN1CCCC1)Nc1cnccn1 ZINC001176102787 833400821 /nfs/dbraw/zinc/40/08/21/833400821.db2.gz LTPNQFWEARQHAQ-UHFFFAOYSA-N 1 3 320.397 -0.393 20 0 DBADHO Cc1ncncc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001120867669 829408880 /nfs/dbraw/zinc/40/88/80/829408880.db2.gz HVRDJPCVDOEXSN-UHFFFAOYSA-N 1 3 322.413 -0.325 20 0 DBADHO COc1cccc2c1CC[C@]2(N)C(=O)N1CCNCC[NH2+]CC1 ZINC001122200849 829559620 /nfs/dbraw/zinc/55/96/20/829559620.db2.gz QOCYVQKPZOJMIP-QGZVFWFLSA-N 1 3 318.421 -0.183 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCC(=O)NC1=O ZINC001176985980 833445378 /nfs/dbraw/zinc/44/53/78/833445378.db2.gz AIGJYDRJKTZYHX-STQMWFEESA-N 1 3 324.425 -0.238 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001127066043 829981004 /nfs/dbraw/zinc/98/10/04/829981004.db2.gz IDXBACRNCKSDRL-NWDGAFQWSA-N 1 3 310.398 -0.630 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001127066043 829981009 /nfs/dbraw/zinc/98/10/09/829981009.db2.gz IDXBACRNCKSDRL-NWDGAFQWSA-N 1 3 310.398 -0.630 20 0 DBADHO C[C@H](NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)NC1CC1 ZINC001127466427 830013156 /nfs/dbraw/zinc/01/31/56/830013156.db2.gz CAUYUJFGZDPPFQ-SMDDNHRTSA-N 1 3 308.426 -0.299 20 0 DBADHO CN1CCC[C@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481448 830014228 /nfs/dbraw/zinc/01/42/28/830014228.db2.gz UFZCBEDZBXHIFH-KBPBESRZSA-N 1 3 308.426 -0.345 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NCCN[C@@H]2CCCNC2=O)n1 ZINC001127559068 830017877 /nfs/dbraw/zinc/01/78/77/830017877.db2.gz ZDUPTJPFPDSVIQ-GFCCVEGCSA-N 1 3 322.413 -0.957 20 0 DBADHO C[C@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)N(C)C ZINC001127562291 830018155 /nfs/dbraw/zinc/01/81/55/830018155.db2.gz FXFLQNHVPDXMPB-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001127707106 830024128 /nfs/dbraw/zinc/02/41/28/830024128.db2.gz UXLQSSYBPDPYKL-OUAUKWLOSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)CC[N@H+]1C ZINC001127707106 830024132 /nfs/dbraw/zinc/02/41/32/830024132.db2.gz UXLQSSYBPDPYKL-OUAUKWLOSA-N 1 3 313.402 -0.994 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778451 830030602 /nfs/dbraw/zinc/03/06/02/830030602.db2.gz FGJOERSSTHJBOD-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127778451 830030605 /nfs/dbraw/zinc/03/06/05/830030605.db2.gz FGJOERSSTHJBOD-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1CC1 ZINC001127779990 830031126 /nfs/dbraw/zinc/03/11/26/830031126.db2.gz UQXYCLLEFAWFHV-KGLIPLIRSA-N 1 3 324.425 -0.918 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)NCC1CC1 ZINC001127779990 830031131 /nfs/dbraw/zinc/03/11/31/830031131.db2.gz UQXYCLLEFAWFHV-KGLIPLIRSA-N 1 3 324.425 -0.918 20 0 DBADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780412 830031597 /nfs/dbraw/zinc/03/15/97/830031597.db2.gz YNGLYWBQFANKST-GJZGRUSLSA-N 1 3 321.425 -0.202 20 0 DBADHO Cc1nn(C)cc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780412 830031599 /nfs/dbraw/zinc/03/15/99/830031599.db2.gz YNGLYWBQFANKST-GJZGRUSLSA-N 1 3 321.425 -0.202 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780565 830031638 /nfs/dbraw/zinc/03/16/38/830031638.db2.gz ZXUYJMWIHHQQFT-JSGCOSHPSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780565 830031639 /nfs/dbraw/zinc/03/16/39/830031639.db2.gz ZXUYJMWIHHQQFT-JSGCOSHPSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780569 830032123 /nfs/dbraw/zinc/03/21/23/830032123.db2.gz ZXUYJMWIHHQQFT-TZMCWYRMSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780569 830032126 /nfs/dbraw/zinc/03/21/26/830032126.db2.gz ZXUYJMWIHHQQFT-TZMCWYRMSA-N 1 3 307.398 -0.511 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001128533706 830095350 /nfs/dbraw/zinc/09/53/50/830095350.db2.gz QJAGTTMRUJANDR-WDEREUQCSA-N 1 3 316.377 -0.823 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001128534182 830095454 /nfs/dbraw/zinc/09/54/54/830095454.db2.gz XISOJKIAQRNTMF-STQMWFEESA-N 1 3 316.421 -0.007 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001128783107 830130292 /nfs/dbraw/zinc/13/02/92/830130292.db2.gz FOBATEUZWAZWCP-RYUDHWBXSA-N 1 3 310.398 -0.628 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001128783107 830130297 /nfs/dbraw/zinc/13/02/97/830130297.db2.gz FOBATEUZWAZWCP-RYUDHWBXSA-N 1 3 310.398 -0.628 20 0 DBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC001129380593 830176619 /nfs/dbraw/zinc/17/66/19/830176619.db2.gz JZARSSMTRCKKIJ-ZDUSSCGKSA-N 1 3 309.414 -0.566 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129421826 830180508 /nfs/dbraw/zinc/18/05/08/830180508.db2.gz CYCBQSIYBGFPSU-OLZOCXBDSA-N 1 3 324.425 -0.240 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001129421826 830180512 /nfs/dbraw/zinc/18/05/12/830180512.db2.gz CYCBQSIYBGFPSU-OLZOCXBDSA-N 1 3 324.425 -0.240 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)C1CC1 ZINC001129435060 830180670 /nfs/dbraw/zinc/18/06/70/830180670.db2.gz AEKABEFFEQVULP-OAHLLOKOSA-N 1 3 306.410 -0.069 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21)C1CC1 ZINC001129444699 830181623 /nfs/dbraw/zinc/18/16/23/830181623.db2.gz XHXLFIZHCZDLCR-TZMCWYRMSA-N 1 3 306.414 -0.189 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)C1CC1 ZINC001129454963 830181663 /nfs/dbraw/zinc/18/16/63/830181663.db2.gz QFEVYBNRYDHHDA-AWEZNQCLSA-N 1 3 310.398 -0.819 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129442999 830181941 /nfs/dbraw/zinc/18/19/41/830181941.db2.gz GOBGFZJUHODFHP-AWEZNQCLSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1)C1CC1 ZINC001129444855 830182027 /nfs/dbraw/zinc/18/20/27/830182027.db2.gz ZJMSLSSOIBSYCQ-SWLSCSKDSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)C1CC1 ZINC001129455316 830183048 /nfs/dbraw/zinc/18/30/48/830183048.db2.gz SCKCXMGSQDTGAW-UONOGXRCSA-N 1 3 309.414 -0.710 20 0 DBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCNCCNS(C)(=O)=O ZINC001129840995 830217435 /nfs/dbraw/zinc/21/74/35/830217435.db2.gz LAFSYXPBTRFAMU-LBPRGKRZSA-N 1 3 320.459 -0.884 20 0 DBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCNCCNS(C)(=O)=O ZINC001129840995 830217440 /nfs/dbraw/zinc/21/74/40/830217440.db2.gz LAFSYXPBTRFAMU-LBPRGKRZSA-N 1 3 320.459 -0.884 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950281 830233077 /nfs/dbraw/zinc/23/30/77/830233077.db2.gz QJDILKLLNSDLDS-QWRGUYRKSA-N 1 3 315.418 -0.878 20 0 DBADHO CCOCCN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129994198 830242406 /nfs/dbraw/zinc/24/24/06/830242406.db2.gz AWSBNAVMEPAZCE-KGLIPLIRSA-N 1 3 324.429 -0.392 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1)N(C)C ZINC001130203851 830281098 /nfs/dbraw/zinc/28/10/98/830281098.db2.gz ZOBLOOLVGBIFPT-GFCCVEGCSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001130203796 830281356 /nfs/dbraw/zinc/28/13/56/830281356.db2.gz XZIJNYQEKQGBMX-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O)N(C)C ZINC001130204822 830282528 /nfs/dbraw/zinc/28/25/28/830282528.db2.gz AJFPDZAYAAIDLH-VXGBXAGGSA-N 1 3 307.460 -0.287 20 0 DBADHO O=C(NCC[NH2+]CCOCC1CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131521801 830478998 /nfs/dbraw/zinc/47/89/98/830478998.db2.gz IAHDGSBRFOOSIS-ISXOHVOVSA-N 1 3 323.437 -0.018 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519402 830479231 /nfs/dbraw/zinc/47/92/31/830479231.db2.gz CUHCUWKZQHMPEI-UGWHAMFMSA-N 1 3 319.409 -0.511 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519402 830479236 /nfs/dbraw/zinc/47/92/36/830479236.db2.gz CUHCUWKZQHMPEI-UGWHAMFMSA-N 1 3 319.409 -0.511 20 0 DBADHO CC(C)OCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521952 830480916 /nfs/dbraw/zinc/48/09/16/830480916.db2.gz MWYCCIUXJBXIAK-BBBYJDLNSA-N 1 3 311.426 -0.020 20 0 DBADHO CC[C@H](C[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1)OC ZINC001131522158 830481092 /nfs/dbraw/zinc/48/10/92/830481092.db2.gz URYRIPZIACYGTD-MYMJJRTCSA-N 1 3 311.426 -0.020 20 0 DBADHO C[C@@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001132287314 830622760 /nfs/dbraw/zinc/62/27/60/830622760.db2.gz WWANZLFPROZXDM-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)(C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001132283878 830622826 /nfs/dbraw/zinc/62/28/26/830622826.db2.gz MWTUNJRPYGIWKG-NSHDSACASA-N 1 3 310.398 -0.628 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283771 830622873 /nfs/dbraw/zinc/62/28/73/830622873.db2.gz IGHWNLCIVMNFKT-UHFFFAOYSA-N 1 3 313.402 -0.978 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001181999986 833650735 /nfs/dbraw/zinc/65/07/35/833650735.db2.gz DCIOJJHBPKWSAW-NSHDSACASA-N 1 3 302.379 -0.475 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993493 830727052 /nfs/dbraw/zinc/72/70/52/830727052.db2.gz WSPITLNYDGUDRD-UHFFFAOYSA-N 1 3 314.430 -0.813 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)CCC[NH+](C)C ZINC001133040607 830737716 /nfs/dbraw/zinc/73/77/16/830737716.db2.gz ZESZKOHWRIENPU-UHFFFAOYSA-N 1 3 302.419 -0.813 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@H]1C ZINC001133135205 830746045 /nfs/dbraw/zinc/74/60/45/830746045.db2.gz NJRDKEUANDGZCA-NEPJUHHUSA-N 1 3 307.398 -0.228 20 0 DBADHO CC[C@H](C(=O)NCCNCC(=O)NC(=O)NC)[NH+](CC)CC ZINC001133684015 830809382 /nfs/dbraw/zinc/80/93/82/830809382.db2.gz CBPIEOYODJUVEM-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO CC[C@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+](CC)CC ZINC001133688414 830810428 /nfs/dbraw/zinc/81/04/28/830810428.db2.gz WQIUBORLQZIDSE-NWDGAFQWSA-N 1 3 312.414 -0.382 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133824109 830831744 /nfs/dbraw/zinc/83/17/44/830831744.db2.gz XTVPEBSDLHKRPB-ZIAGYGMSSA-N 1 3 317.430 -0.800 20 0 DBADHO C[C@@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133831171 830832981 /nfs/dbraw/zinc/83/29/81/830832981.db2.gz IUANZECEVSGWBT-SNVBAGLBSA-N 1 3 324.347 -0.145 20 0 DBADHO C[C@@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133831171 830832989 /nfs/dbraw/zinc/83/29/89/830832989.db2.gz IUANZECEVSGWBT-SNVBAGLBSA-N 1 3 324.347 -0.145 20 0 DBADHO C[C@@H](NCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001133856407 830838816 /nfs/dbraw/zinc/83/88/16/830838816.db2.gz DSCPVHFQZBROJT-YGRLFVJLSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@@H](NCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001133856407 830838819 /nfs/dbraw/zinc/83/88/19/830838819.db2.gz DSCPVHFQZBROJT-YGRLFVJLSA-N 1 3 302.394 -0.222 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCC[NH2+]CCOCCO)C1 ZINC001133856575 830839047 /nfs/dbraw/zinc/83/90/47/830839047.db2.gz JRWRPCQUBGZGOS-HNNXBMFYSA-N 1 3 319.421 -0.086 20 0 DBADHO C[C@H](NCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001133856405 830839083 /nfs/dbraw/zinc/83/90/83/830839083.db2.gz DSCPVHFQZBROJT-IINYFYTJSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@H](NCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001133856405 830839088 /nfs/dbraw/zinc/83/90/88/830839088.db2.gz DSCPVHFQZBROJT-IINYFYTJSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001133853247 830839458 /nfs/dbraw/zinc/83/94/58/830839458.db2.gz GVARNRKQDFPXJF-ZDUSSCGKSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001133853247 830839464 /nfs/dbraw/zinc/83/94/64/830839464.db2.gz GVARNRKQDFPXJF-ZDUSSCGKSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133866939 830842729 /nfs/dbraw/zinc/84/27/29/830842729.db2.gz PZNQXDKCTKOTCQ-OCCSQVGLSA-N 1 3 310.442 -0.242 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N(C)CC1CC1 ZINC001133866939 830842736 /nfs/dbraw/zinc/84/27/36/830842736.db2.gz PZNQXDKCTKOTCQ-OCCSQVGLSA-N 1 3 310.442 -0.242 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001133866173 830842852 /nfs/dbraw/zinc/84/28/52/830842852.db2.gz JSEYEGFGPICFOI-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001133866173 830842857 /nfs/dbraw/zinc/84/28/57/830842857.db2.gz JSEYEGFGPICFOI-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133867284 830843320 /nfs/dbraw/zinc/84/33/20/830843320.db2.gz TXINFKQLSDCSKX-OLZOCXBDSA-N 1 3 314.430 -0.957 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133867284 830843327 /nfs/dbraw/zinc/84/33/27/830843327.db2.gz TXINFKQLSDCSKX-OLZOCXBDSA-N 1 3 314.430 -0.957 20 0 DBADHO CC1(C)CCN(CC(=O)NCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001133896061 830850222 /nfs/dbraw/zinc/85/02/22/830850222.db2.gz BVSJGFXNYSMQMB-LLVKDONJSA-N 1 3 310.398 -0.771 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CCN1CCCS1(=O)=O)N(C)C ZINC001133962715 830866413 /nfs/dbraw/zinc/86/64/13/830866413.db2.gz MXXPKSRODNBORG-LBPRGKRZSA-N 1 3 320.459 -0.932 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)N(C)C ZINC001133966255 830868007 /nfs/dbraw/zinc/86/80/07/830868007.db2.gz ZUMNUCZXANZAGD-OLZOCXBDSA-N 1 3 305.419 -0.944 20 0 DBADHO CC[C@H](NCCNC(=O)COC[C@@H](C)[NH+]1CCCC1)C(N)=O ZINC001134021098 830876199 /nfs/dbraw/zinc/87/61/99/830876199.db2.gz RFFRDVUOHNSCTJ-OLZOCXBDSA-N 1 3 314.430 -0.543 20 0 DBADHO CNC(=O)[C@H](C)NCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134020634 830876532 /nfs/dbraw/zinc/87/65/32/830876532.db2.gz DJNNAUKMDOKDIT-OLZOCXBDSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001134126460 830894643 /nfs/dbraw/zinc/89/46/43/830894643.db2.gz SHCJKBVJMFLQDH-CFVMTHIKSA-N 1 3 318.421 -0.089 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C(N)=O ZINC001134126460 830894651 /nfs/dbraw/zinc/89/46/51/830894651.db2.gz SHCJKBVJMFLQDH-CFVMTHIKSA-N 1 3 318.421 -0.089 20 0 DBADHO Cc1nc(CNCCNC(=O)c2cnn(CC[NH+](C)C)c2)n[nH]1 ZINC001135117937 831012248 /nfs/dbraw/zinc/01/22/48/831012248.db2.gz CTAGGBMDJYFVBM-UHFFFAOYSA-N 1 3 320.401 -0.609 20 0 DBADHO CC[NH+](CC)[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C(C)C ZINC001135474143 831074142 /nfs/dbraw/zinc/07/41/42/831074142.db2.gz IIJJXKAUNGUBKP-GFCCVEGCSA-N 1 3 315.418 -0.747 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001135510938 831079556 /nfs/dbraw/zinc/07/95/56/831079556.db2.gz IUTCTADQZRYCRL-UHFFFAOYSA-N 1 3 319.471 -0.141 20 0 DBADHO CCS(=O)(=O)NCCN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185415617 833794638 /nfs/dbraw/zinc/79/46/38/833794638.db2.gz BIIPROHZOPRZRS-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001146719680 831293902 /nfs/dbraw/zinc/29/39/02/831293902.db2.gz UCHCXAUBLNPELR-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001146719680 831293907 /nfs/dbraw/zinc/29/39/07/831293907.db2.gz UCHCXAUBLNPELR-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO CN(C)S(=O)(=O)N1CC2(CN(CC3CC[NH2+]CC3)C2)C1 ZINC001276714521 833452891 /nfs/dbraw/zinc/45/28/91/833452891.db2.gz ZYZODSUJBIUPON-UHFFFAOYSA-N 1 3 302.444 -0.590 20 0 DBADHO C[NH+](C)CCOCC(=O)NCCNCc1cccc(C(N)=O)c1 ZINC001147848351 831411948 /nfs/dbraw/zinc/41/19/48/831411948.db2.gz LNNGXIQUXGTMGL-UHFFFAOYSA-N 1 3 322.409 -0.431 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001147877734 831414356 /nfs/dbraw/zinc/41/43/56/831414356.db2.gz OBXROXSPBRRFOU-CYBMUJFWSA-N 1 3 322.409 -0.057 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001147877734 831414359 /nfs/dbraw/zinc/41/43/59/831414359.db2.gz OBXROXSPBRRFOU-CYBMUJFWSA-N 1 3 322.409 -0.057 20 0 DBADHO CC[C@H](C)NC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147891579 831415904 /nfs/dbraw/zinc/41/59/04/831415904.db2.gz DMIIMVWCCDZYSI-QWHCGFSZSA-N 1 3 316.446 -0.426 20 0 DBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NCc1ccco1 ZINC001147977342 831420605 /nfs/dbraw/zinc/42/06/05/831420605.db2.gz OWWWPGCOEVQSPB-UHFFFAOYSA-N 1 3 320.393 -0.303 20 0 DBADHO CCNC(=O)NC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148360425 831447835 /nfs/dbraw/zinc/44/78/35/831447835.db2.gz UKQBXKNZXFGTGO-UHFFFAOYSA-N 1 3 315.418 -0.730 20 0 DBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148469752 831456912 /nfs/dbraw/zinc/45/69/12/831456912.db2.gz SWBLKTMHJGYUGJ-UHFFFAOYSA-N 1 3 313.442 -0.129 20 0 DBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148469752 831456917 /nfs/dbraw/zinc/45/69/17/831456917.db2.gz SWBLKTMHJGYUGJ-UHFFFAOYSA-N 1 3 313.442 -0.129 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NCCCOC ZINC001148570399 831462412 /nfs/dbraw/zinc/46/24/12/831462412.db2.gz CSZJNXKCEIRUGH-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NCCCOC ZINC001148570399 831462418 /nfs/dbraw/zinc/46/24/18/831462418.db2.gz CSZJNXKCEIRUGH-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001148643364 831467139 /nfs/dbraw/zinc/46/71/39/831467139.db2.gz WYSQNOVLHJWOMO-UHFFFAOYSA-N 1 3 301.435 -0.258 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC001148643221 831467510 /nfs/dbraw/zinc/46/75/10/831467510.db2.gz VGSZZDNYJBLQER-KBPBESRZSA-N 1 3 319.446 -0.554 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001148643259 831467626 /nfs/dbraw/zinc/46/76/26/831467626.db2.gz WVZXCGRLSIMWOK-CYBMUJFWSA-N 1 3 305.419 -0.942 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001148638075 831467698 /nfs/dbraw/zinc/46/76/98/831467698.db2.gz AUMJNHUVJLQELM-UHFFFAOYSA-N 1 3 320.459 -0.931 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001148642011 831468002 /nfs/dbraw/zinc/46/80/02/831468002.db2.gz BQFOVMLKBMXMLC-UHFFFAOYSA-N 1 3 322.475 -0.685 20 0 DBADHO CN(C)[C@@H](C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1)C1CC1 ZINC001149842511 831573499 /nfs/dbraw/zinc/57/34/99/831573499.db2.gz VTQKLWNQVMTUEH-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)[C@@H](C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1)C1CC1 ZINC001149842511 831573502 /nfs/dbraw/zinc/57/35/02/831573502.db2.gz VTQKLWNQVMTUEH-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO CCN(CC)CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCCO1 ZINC001150481526 831623119 /nfs/dbraw/zinc/62/31/19/831623119.db2.gz YIMVOJQFTMZKHV-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001150481526 831623123 /nfs/dbraw/zinc/62/31/23/831623123.db2.gz YIMVOJQFTMZKHV-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](C[C@H](C)O)CCCO1 ZINC001150481527 831623505 /nfs/dbraw/zinc/62/35/05/831623505.db2.gz YIMVOJQFTMZKHV-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001150481527 831623506 /nfs/dbraw/zinc/62/35/06/831623506.db2.gz YIMVOJQFTMZKHV-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590116 831632085 /nfs/dbraw/zinc/63/20/85/831632085.db2.gz ZACXOTJMCPJCKV-UONOGXRCSA-N 1 3 317.430 -0.848 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001151049061 831659854 /nfs/dbraw/zinc/65/98/54/831659854.db2.gz IVMWDJNXVRCSLY-AWEZNQCLSA-N 1 3 304.394 -0.057 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCNCc2cccc(C(N)=O)c2)C1 ZINC001151049061 831659858 /nfs/dbraw/zinc/65/98/58/831659858.db2.gz IVMWDJNXVRCSLY-AWEZNQCLSA-N 1 3 304.394 -0.057 20 0 DBADHO C[C@@H](NCCNC(=O)CCC[NH+]1CCCC1)C(=O)NC(N)=O ZINC001152237773 831736113 /nfs/dbraw/zinc/73/61/13/831736113.db2.gz ULQUSGCMVZELRD-LLVKDONJSA-N 1 3 313.402 -0.848 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152340679 831741878 /nfs/dbraw/zinc/74/18/78/831741878.db2.gz UAALHWFJBXBWIS-UHFFFAOYSA-N 1 3 313.402 -0.976 20 0 DBADHO C[C@H](NCCNC(=O)CC[NH+]1CCCCC1)C(=O)NC(N)=O ZINC001152348581 831741891 /nfs/dbraw/zinc/74/18/91/831741891.db2.gz QFIOUOFJRXCKAZ-NSHDSACASA-N 1 3 313.402 -0.848 20 0 DBADHO CS(=O)(=O)NCCNCCNC(=O)CC[NH+]1CCCCC1 ZINC001152348906 831742135 /nfs/dbraw/zinc/74/21/35/831742135.db2.gz SHTNCLPPGNLGQO-UHFFFAOYSA-N 1 3 320.459 -0.883 20 0 DBADHO CCS(=O)(=O)NCCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152427406 831750296 /nfs/dbraw/zinc/75/02/96/831750296.db2.gz ZGPMAHWFVXBCRI-UHFFFAOYSA-N 1 3 322.475 -0.638 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001152458427 831753466 /nfs/dbraw/zinc/75/34/66/831753466.db2.gz PTVJBWNBEAXCFU-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO c1nc2c(c(NCc3nnn4c3CNCCC4)n1)CC[NH2+]CC2 ZINC001155388964 831930887 /nfs/dbraw/zinc/93/08/87/831930887.db2.gz ACJAUXUZWPLMBO-UHFFFAOYSA-N 1 3 314.397 -0.138 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155790900 831952313 /nfs/dbraw/zinc/95/23/13/831952313.db2.gz OTXBBSNNQNCYDB-LLVKDONJSA-N 1 3 313.402 -0.978 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)Nc1ccon1 ZINC001155822537 831954119 /nfs/dbraw/zinc/95/41/19/831954119.db2.gz TYFZXOQFKUSXFP-LLVKDONJSA-N 1 3 309.370 -0.197 20 0 DBADHO O=C(NCc1cc2n(n1)CCCO2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157082968 832020237 /nfs/dbraw/zinc/02/02/37/832020237.db2.gz REDLSYWSPODSPA-IAQYHMDHSA-N 1 3 305.382 -0.519 20 0 DBADHO N[C@@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001157497037 832047636 /nfs/dbraw/zinc/04/76/36/832047636.db2.gz NQRZNADCYKUJBT-ZIAGYGMSSA-N 1 3 324.425 -0.837 20 0 DBADHO N[C@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@@H]2NC3=O)C[C@H]1F ZINC001157559740 832052647 /nfs/dbraw/zinc/05/26/47/832052647.db2.gz IPEATSXMJOMEAM-CRWXNKLISA-N 1 3 318.352 -0.393 20 0 DBADHO C[C@@H]1[C@@H](C[NH3+])CCCN1C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001157843047 832066258 /nfs/dbraw/zinc/06/62/58/832066258.db2.gz OMOAATNSDUQYIA-UTUOFQBUSA-N 1 3 315.439 -0.651 20 0 DBADHO O=C(N1C[C@H](CO)CC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157900416 832071457 /nfs/dbraw/zinc/07/14/57/832071457.db2.gz ITOKNZZYZSDHGG-NQBHXWOUSA-N 1 3 303.353 -0.338 20 0 DBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCNCC(F)(F)C1 ZINC001157937263 832076178 /nfs/dbraw/zinc/07/61/78/832076178.db2.gz RZXYAOXZADFHAU-LLVKDONJSA-N 1 3 302.369 -0.072 20 0 DBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCNCC(F)(F)C1 ZINC001157937263 832076183 /nfs/dbraw/zinc/07/61/83/832076183.db2.gz RZXYAOXZADFHAU-LLVKDONJSA-N 1 3 302.369 -0.072 20 0 DBADHO [NH3+][C@@H](CO)Cc1cncn1-c1nc(Cl)nc2c1CNCC2 ZINC001158203292 832099771 /nfs/dbraw/zinc/09/97/71/832099771.db2.gz IMUHUXLBPPGZNF-MRVPVSSYSA-N 1 3 308.773 -0.177 20 0 DBADHO CN1CC[NH2+]C[C@H]1C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158334573 832105556 /nfs/dbraw/zinc/10/55/56/832105556.db2.gz AFZZZXHHRPPZEG-XHSDSOJGSA-N 1 3 300.406 -0.012 20 0 DBADHO O=C(CN1CC[NH2+]CC1)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158335684 832105814 /nfs/dbraw/zinc/10/58/14/832105814.db2.gz DRTYZEUOXDSKOB-JKSUJKDBSA-N 1 3 300.406 -0.011 20 0 DBADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC001158486992 832117933 /nfs/dbraw/zinc/11/79/33/832117933.db2.gz UPDFRNSKNPLKMK-GJZGRUSLSA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)n1 ZINC001158486992 832117934 /nfs/dbraw/zinc/11/79/34/832117934.db2.gz UPDFRNSKNPLKMK-GJZGRUSLSA-N 1 3 321.425 -0.121 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@H]1CNC[C@@H](F)C1 ZINC001158496584 832119004 /nfs/dbraw/zinc/11/90/04/832119004.db2.gz UAORDFZGHIDCKD-FPYNETTCSA-N 1 3 313.373 -0.314 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158568682 832122569 /nfs/dbraw/zinc/12/25/69/832122569.db2.gz QSOPCGYFFKYRJI-DCAQKATOSA-N 1 3 315.393 -0.702 20 0 DBADHO COCCN1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001158603568 832123357 /nfs/dbraw/zinc/12/33/57/832123357.db2.gz HCPPZJUKGABXPT-AWEZNQCLSA-N 1 3 300.447 -0.164 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@H]1C[NH2+]C[C@H]1O)C2 ZINC001158856741 832141798 /nfs/dbraw/zinc/14/17/98/832141798.db2.gz QHWZFVRJIFBZQR-SWLSCSKDSA-N 1 3 321.425 -0.285 20 0 DBADHO COC[C@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)Cc2cn(C)nc21 ZINC001159018963 832153027 /nfs/dbraw/zinc/15/30/27/832153027.db2.gz NZLHJPRKDLICTO-ZIAGYGMSSA-N 1 3 321.425 -0.181 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)N(C)C ZINC001185705501 833807349 /nfs/dbraw/zinc/80/73/49/833807349.db2.gz DNOOKEXVQZBMAE-KFWWJZLASA-N 1 3 323.441 -0.225 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C)CC1 ZINC001270702586 832567797 /nfs/dbraw/zinc/56/77/97/832567797.db2.gz QOHFWFHHWIACDL-HOTGVXAUSA-N 1 3 323.485 -0.529 20 0 DBADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CCN(C)CC1 ZINC001270702586 832567802 /nfs/dbraw/zinc/56/78/02/832567802.db2.gz QOHFWFHHWIACDL-HOTGVXAUSA-N 1 3 323.485 -0.529 20 0 DBADHO C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C(=O)C1(N(C)C)CCC1 ZINC001270986979 832603172 /nfs/dbraw/zinc/60/31/72/832603172.db2.gz NFILMEBXNQYYKU-NEPJUHHUSA-N 1 3 324.425 -0.288 20 0 DBADHO CCN(CC)CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]12 ZINC001271538209 832678931 /nfs/dbraw/zinc/67/89/31/832678931.db2.gz SKFHCNGUWMEPNW-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]12 ZINC001271538209 832678932 /nfs/dbraw/zinc/67/89/32/832678932.db2.gz SKFHCNGUWMEPNW-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)(C)N1CC[C@](F)(C(=O)NC[C@H](O)C[NH2+]CCO)C1 ZINC001272520731 832793241 /nfs/dbraw/zinc/79/32/41/832793241.db2.gz KCKQNTJKZGGARQ-BXUZGUMPSA-N 1 3 305.394 -0.742 20 0 DBADHO CCOC[C@H]1CN(C(=O)[C@H](N)CCC[NH3+])Cc2cnn(C)c21 ZINC001159394914 832813600 /nfs/dbraw/zinc/81/36/00/832813600.db2.gz SQTSGLWBCNMXLI-CHWSQXEVSA-N 1 3 309.414 -0.051 20 0 DBADHO CN(C)C1(C(=O)NCCC[NH2+]CCNS(C)(=O)=O)CCC1 ZINC001159861884 832853864 /nfs/dbraw/zinc/85/38/64/832853864.db2.gz UHUXTVPRMCFPEP-UHFFFAOYSA-N 1 3 320.459 -0.884 20 0 DBADHO CC(C)C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])C[C@H]21 ZINC001160093244 832874168 /nfs/dbraw/zinc/87/41/68/832874168.db2.gz CMGXBUYJTPAQDW-WHOHXGKFSA-N 1 3 314.455 -0.765 20 0 DBADHO N[C@H](C(=O)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21)C1CC[NH2+]CC1 ZINC001160405742 832899867 /nfs/dbraw/zinc/89/98/67/832899867.db2.gz YVVNXHUSAJCUQY-JJXSEGSLSA-N 1 3 323.437 -0.034 20 0 DBADHO C[NH2+]Cc1ccc(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cc1 ZINC001160443430 832905505 /nfs/dbraw/zinc/90/55/05/832905505.db2.gz JCFOQVWASVWMJN-CABZTGNLSA-N 1 3 321.381 -0.948 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCN(CCc2ccccn2)CC1 ZINC001160483754 832909828 /nfs/dbraw/zinc/90/98/28/832909828.db2.gz WMHBUFWMUILIAZ-OAHLLOKOSA-N 1 3 305.426 -0.166 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160490679 832910886 /nfs/dbraw/zinc/91/08/86/832910886.db2.gz XLYVUCCXTFCWNA-OAHLLOKOSA-N 1 3 305.426 -0.166 20 0 DBADHO COC(=O)CN1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001160531504 832913521 /nfs/dbraw/zinc/91/35/21/832913521.db2.gz RGTBFPHHWAAZIZ-CYBMUJFWSA-N 1 3 324.425 -0.822 20 0 DBADHO COC(=O)CN1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001160531504 832913530 /nfs/dbraw/zinc/91/35/30/832913530.db2.gz RGTBFPHHWAAZIZ-CYBMUJFWSA-N 1 3 324.425 -0.822 20 0 DBADHO CCN(CC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)C1(N(C)C)CCC1 ZINC001273421471 832924322 /nfs/dbraw/zinc/92/43/22/832924322.db2.gz XYMPDWVXNFNMHG-GFCCVEGCSA-N 1 3 324.425 -0.286 20 0 DBADHO COC(=O)[C@@]1(C)CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)C1 ZINC001160635149 832926895 /nfs/dbraw/zinc/92/68/95/832926895.db2.gz GLDUNXUFHSGBFK-UHOFOFEASA-N 1 3 309.410 -0.013 20 0 DBADHO O=C(N1CCC[C@@H](n2cncn2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160637771 832927217 /nfs/dbraw/zinc/92/72/17/832927217.db2.gz PJNPUNAJWQWHSH-UMVBOHGHSA-N 1 3 304.398 -0.359 20 0 DBADHO Cn1cnnc1C1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160705144 832935237 /nfs/dbraw/zinc/93/52/37/832935237.db2.gz SHIVOUNXOAMGMK-LBPRGKRZSA-N 1 3 304.398 -0.670 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC001160703327 832935262 /nfs/dbraw/zinc/93/52/62/832935262.db2.gz BIYDYZNWOHBDBS-FQUUOJAGSA-N 1 3 310.442 -0.116 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC001160703327 832935266 /nfs/dbraw/zinc/93/52/66/832935266.db2.gz BIYDYZNWOHBDBS-FQUUOJAGSA-N 1 3 310.442 -0.116 20 0 DBADHO CN(C[C@@H]1CCC[NH2+]C1)C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001160696354 832935627 /nfs/dbraw/zinc/93/56/27/832935627.db2.gz VGCNVPMRTDHDNT-VXGBXAGGSA-N 1 3 315.439 -0.779 20 0 DBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001160837616 832948585 /nfs/dbraw/zinc/94/85/85/832948585.db2.gz CJFNGFLYPILBRV-OWCLPIDISA-N 1 3 324.469 -0.151 20 0 DBADHO COC(=O)C[C@H]1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160832330 832948749 /nfs/dbraw/zinc/94/87/49/832948749.db2.gz DYTPTUCCGQWFID-MNOVXSKESA-N 1 3 303.428 -0.193 20 0 DBADHO C[NH+](C)C[C@H]1COCCN1C(=O)CN1CCCC[C@H](N)C1=O ZINC001160838412 832948816 /nfs/dbraw/zinc/94/88/16/832948816.db2.gz IKZKJRKIKVTTRN-STQMWFEESA-N 1 3 312.414 -0.885 20 0 DBADHO COC(=O)C[C@@H]1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001160832333 832949124 /nfs/dbraw/zinc/94/91/24/832949124.db2.gz DYTPTUCCGQWFID-QWRGUYRKSA-N 1 3 303.428 -0.193 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001160889734 832957045 /nfs/dbraw/zinc/95/70/45/832957045.db2.gz QRDRHWMZTYKOES-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CC(C)(C)C(=O)N1CCN(C(=O)[C@@H](N)CSCC[NH3+])CC1 ZINC001160948645 832960834 /nfs/dbraw/zinc/96/08/34/832960834.db2.gz NSWBCWNZGUCABH-NSHDSACASA-N 1 3 316.471 -0.278 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160936561 832961049 /nfs/dbraw/zinc/96/10/49/832961049.db2.gz LHVKTXTVGINMKS-ZDUSSCGKSA-N 1 3 305.382 -0.568 20 0 DBADHO [NH3+]C1CCN(c2cccc(NCCN3CCNCC3=O)n2)CC1 ZINC001161023843 832967658 /nfs/dbraw/zinc/96/76/58/832967658.db2.gz CTAONZKXZFCHBH-UHFFFAOYSA-N 1 3 318.425 -0.147 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@H+](CCC(=O)N(C)C)C2)C1=O ZINC001273837851 832972190 /nfs/dbraw/zinc/97/21/90/832972190.db2.gz HKXQWTPMTIJMNN-MRXNPFEDSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](CCC(=O)N(C)C)C2)C1=O ZINC001273837851 832972194 /nfs/dbraw/zinc/97/21/94/832972194.db2.gz HKXQWTPMTIJMNN-MRXNPFEDSA-N 1 3 310.442 -0.049 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H]1C)N(C)C ZINC001178985756 833532006 /nfs/dbraw/zinc/53/20/06/833532006.db2.gz WTXBBBKXVHRMGR-GARJFASQSA-N 1 3 313.402 -0.900 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN2CC[C@H](C)C2)[C@H]1C ZINC001179538428 833549923 /nfs/dbraw/zinc/54/99/23/833549923.db2.gz DHRNERYXYQZECQ-AJNGGQMLSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C)N(C)C ZINC001179554284 833550619 /nfs/dbraw/zinc/55/06/19/833550619.db2.gz ZCMOYICRFDDCKG-IHRRRGAJSA-N 1 3 301.431 -0.086 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001179763367 833557660 /nfs/dbraw/zinc/55/76/60/833557660.db2.gz JPWHSYPJCKWNRE-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001181652669 833638914 /nfs/dbraw/zinc/63/89/14/833638914.db2.gz OGXQTVLILANNFR-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H]([NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001182741319 833688640 /nfs/dbraw/zinc/68/86/40/833688640.db2.gz MLXHCIWSSGZTMF-JRPNMDOOSA-N 1 3 307.398 -0.100 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183758960 833734917 /nfs/dbraw/zinc/73/49/17/833734917.db2.gz BRZWKVYQIONBKN-CYBMUJFWSA-N 1 3 301.431 -0.084 20 0 DBADHO CN1CC[C@@H](N[C@@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001185213170 833783093 /nfs/dbraw/zinc/78/30/93/833783093.db2.gz HLJKCGKNWXVBCZ-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO CN1CC[N@H+](C)C[C@@H]1C(=O)N1CCN(CCC(C)(C)O)CC1 ZINC001185255670 833786405 /nfs/dbraw/zinc/78/64/05/833786405.db2.gz ADGGTTGTPVCJIS-CQSZACIVSA-N 1 3 312.458 -0.463 20 0 DBADHO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1CCN(CCC(C)(C)O)CC1 ZINC001185255670 833786410 /nfs/dbraw/zinc/78/64/10/833786410.db2.gz ADGGTTGTPVCJIS-CQSZACIVSA-N 1 3 312.458 -0.463 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001185264158 833787428 /nfs/dbraw/zinc/78/74/28/833787428.db2.gz BFTYJWXPFVYALT-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001186817480 833878220 /nfs/dbraw/zinc/87/82/20/833878220.db2.gz TUYIZQOYLZYOTG-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001186817480 833878231 /nfs/dbraw/zinc/87/82/31/833878231.db2.gz TUYIZQOYLZYOTG-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO Cn1nccc1CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115601 833902168 /nfs/dbraw/zinc/90/21/68/833902168.db2.gz OJYVWSJYMKONPC-CYBMUJFWSA-N 1 3 309.414 -0.311 20 0 DBADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115763 833902937 /nfs/dbraw/zinc/90/29/37/833902937.db2.gz RGSKNXYRDMNYDY-CYBMUJFWSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC1CC1 ZINC001187126498 833904717 /nfs/dbraw/zinc/90/47/17/833904717.db2.gz JFHMNISBUVHHCY-GXTWGEPZSA-N 1 3 320.437 -0.060 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)NC1CC1 ZINC001187126499 833905077 /nfs/dbraw/zinc/90/50/77/833905077.db2.gz JFHMNISBUVHHCY-TZMCWYRMSA-N 1 3 320.437 -0.060 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001187307306 833915902 /nfs/dbraw/zinc/91/59/02/833915902.db2.gz ZPGYVUFXVSJTIJ-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC001187299292 833916485 /nfs/dbraw/zinc/91/64/85/833916485.db2.gz ZTAJWMJQUZHZJT-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC001187299292 833916487 /nfs/dbraw/zinc/91/64/87/833916487.db2.gz ZTAJWMJQUZHZJT-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CC(C)[C@H](C(=O)NCC1(N[C@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001277165091 833930065 /nfs/dbraw/zinc/93/00/65/833930065.db2.gz SVWGDBSLVHLTSO-WCQYABFASA-N 1 3 324.425 -0.384 20 0 DBADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825712 833951337 /nfs/dbraw/zinc/95/13/37/833951337.db2.gz RYKGPNPBFKXNLV-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)C(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187825712 833951339 /nfs/dbraw/zinc/95/13/39/833951339.db2.gz RYKGPNPBFKXNLV-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C[C@@H]4COCCO4)CC3)[C@@H]2C1 ZINC001277524977 833964890 /nfs/dbraw/zinc/96/48/90/833964890.db2.gz NEZKGBCWOHXGGB-MGPQQGTHSA-N 1 3 309.410 -0.456 20 0 DBADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C[C@@H]4COCCO4)CC3)[C@@H]2C1 ZINC001277524977 833964892 /nfs/dbraw/zinc/96/48/92/833964892.db2.gz NEZKGBCWOHXGGB-MGPQQGTHSA-N 1 3 309.410 -0.456 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001188140033 833969637 /nfs/dbraw/zinc/96/96/37/833969637.db2.gz WUEDHHUHOOZJAW-CABCVRRESA-N 1 3 323.441 -0.225 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001188158474 833971252 /nfs/dbraw/zinc/97/12/52/833971252.db2.gz PPFYNHNFILOJHX-CYBMUJFWSA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H]1CCC(=O)NC1=O ZINC001277920919 834005524 /nfs/dbraw/zinc/00/55/24/834005524.db2.gz COBLGEPRVFQXEG-AAEUAGOBSA-N 1 3 324.425 -0.430 20 0 DBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001189054352 834042327 /nfs/dbraw/zinc/04/23/27/834042327.db2.gz DSELLAWBRVNULW-YNEHKIRRSA-N 1 3 322.409 -0.724 20 0 DBADHO Cn1cnc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238240321 834349802 /nfs/dbraw/zinc/34/98/02/834349802.db2.gz GPFWEPRIKUWGDZ-NSHDSACASA-N 1 3 313.427 -0.427 20 0 DBADHO COC(=O)c1ccc([C@@H](N)CNS(=O)(=O)CC[NH3+])cc1 ZINC001238920668 834371754 /nfs/dbraw/zinc/37/17/54/834371754.db2.gz XWEONWAKDVGKBB-NSHDSACASA-N 1 3 301.368 -0.649 20 0 DBADHO C[S@@](=O)CCCCNC(=S)NCCC[NH2+]CCCN ZINC001239396587 834397075 /nfs/dbraw/zinc/39/70/75/834397075.db2.gz JXKVSBLGJZCNIK-LJQANCHMSA-N 1 3 308.517 -0.062 20 0 DBADHO O[C@H](CN1CCNC[C@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246059970 834414675 /nfs/dbraw/zinc/41/46/75/834414675.db2.gz RNCDQJRFZGRUQM-QWRGUYRKSA-N 1 3 311.348 -0.312 20 0 DBADHO CCOC(=O)CN1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246078222 834415922 /nfs/dbraw/zinc/41/59/22/834415922.db2.gz ADGNIIPWILALOY-DZGCQCFKSA-N 1 3 317.405 -0.334 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CCN1 ZINC001246079457 834415964 /nfs/dbraw/zinc/41/59/64/834415964.db2.gz FCNRHRLGGIKITG-OWTLIXCDSA-N 1 3 303.378 -0.678 20 0 DBADHO CS(=O)(=O)C1CCC([NH2+]C[C@]2(O)CCNC[C@@H]2F)CC1 ZINC001246079175 834416156 /nfs/dbraw/zinc/41/61/56/834416156.db2.gz CTGDWZBSXZCYIR-IFWUJCSASA-N 1 3 308.419 -0.006 20 0 DBADHO C[C@H](CC(=O)N1CCOCC1)[NH2+]C[C@]1(O)CCNC[C@@H]1F ZINC001246082779 834416524 /nfs/dbraw/zinc/41/65/24/834416524.db2.gz MUJVPEONOZCGOW-MBNYWOFBSA-N 1 3 303.378 -0.724 20 0 DBADHO COC(=O)[C@H](O)[C@@H](N[C@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246196138 834422823 /nfs/dbraw/zinc/42/28/23/834422823.db2.gz MQYRACUYVIPEMK-SOUVJXGZSA-N 1 3 319.405 -0.055 20 0 DBADHO CC[C@@]1(C(=O)OC)C[C@@H](NCCOCCOCC[NH3+])CN1 ZINC001246285304 834426828 /nfs/dbraw/zinc/42/68/28/834426828.db2.gz RGBWEPHJFONISW-OCCSQVGLSA-N 1 3 303.403 -0.748 20 0 DBADHO COC(=O)[C@@H]1C[C@H](NC[C@H]2O[C@@H](C(C)C)O[C@@H]2C[NH3+])CN1 ZINC001246286196 834427262 /nfs/dbraw/zinc/42/72/62/834427262.db2.gz IKDKBYQXEQVKON-ROEYZRMQSA-N 1 3 301.387 -0.796 20 0 DBADHO CC(C)(C)OC(=O)[C@@H]1C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246403246 834433980 /nfs/dbraw/zinc/43/39/80/834433980.db2.gz DKAXRWOFRPYZGM-SRVKXCTJSA-N 1 3 314.430 -0.369 20 0 DBADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CO1 ZINC001246412237 834434069 /nfs/dbraw/zinc/43/40/69/834434069.db2.gz ADYOVDNWIVBODJ-SDDRHHMPSA-N 1 3 301.387 -0.330 20 0 DBADHO C[C@H](CC(=O)N1CCOCC1)[NH2+]CCCC[C@H](N)C(N)=O ZINC001246418639 834434499 /nfs/dbraw/zinc/43/44/99/834434499.db2.gz SELKDSZQANVBHP-NEPJUHHUSA-N 1 3 300.403 -0.804 20 0 DBADHO COCCOc1nccc(CN[C@H]2CCNC3(C[NH2+]C3)C2)n1 ZINC001246432972 834435563 /nfs/dbraw/zinc/43/55/63/834435563.db2.gz GUWKFIRSGZFDGO-LBPRGKRZSA-N 1 3 307.398 -0.315 20 0 DBADHO O[C@]1(C(F)(F)F)COCCN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246577548 834441156 /nfs/dbraw/zinc/44/11/56/834441156.db2.gz RYMQQPXKGGPSSA-PWSUYJOCSA-N 1 3 309.332 -0.294 20 0 DBADHO O=C([C@@H]1C[C@H](N2CCNC[C@@H](F)C2)C[NH2+]1)N1CCSC1 ZINC001246595771 834442314 /nfs/dbraw/zinc/44/23/14/834442314.db2.gz IGIKCHYABIUORZ-WOPDTQHZSA-N 1 3 302.419 -0.507 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@@H](N2CCO[C@@H]3C[NH2+]CC[C@@H]3C2)CN1 ZINC001246631032 834444668 /nfs/dbraw/zinc/44/46/68/834444668.db2.gz NXLZHDARYLPSTF-APIJFGDWSA-N 1 3 311.426 -0.020 20 0 DBADHO CN(C)C(=O)c1nn([C@H]2CCNC3(C[NH2+]C3)C2)c2c1CNCC2 ZINC001246748438 834452854 /nfs/dbraw/zinc/45/28/54/834452854.db2.gz UCLVDVRNQDCNLN-NSHDSACASA-N 1 3 318.425 -0.503 20 0 DBADHO COC(=O)[C@@H]1C[C@@H](N2CCN(CC3CC[NH+](C)CC3)CC2)CN1 ZINC001246944826 834464084 /nfs/dbraw/zinc/46/40/84/834464084.db2.gz CQVFYJBQYBXWQX-CVEARBPZSA-N 1 3 324.469 -0.151 20 0 DBADHO C[C@H]1C[C@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)CC[NH2+]1 ZINC001247009810 834467628 /nfs/dbraw/zinc/46/76/28/834467628.db2.gz MDFPUDLLGZABBG-QWQWKMKNSA-N 1 3 301.412 -0.728 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@@H]1CNCCC1(F)F ZINC001247007815 834467753 /nfs/dbraw/zinc/46/77/53/834467753.db2.gz GKDCACGRFZEEHA-GMTAPVOTSA-N 1 3 309.382 -0.003 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@H]1CNCCC1(F)F ZINC001247007823 834468039 /nfs/dbraw/zinc/46/80/39/834468039.db2.gz GKDCACGRFZEEHA-MXWKQRLJSA-N 1 3 309.382 -0.003 20 0 DBADHO C[C@@H]1C[NH2+]CCC[C@@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247012962 834469036 /nfs/dbraw/zinc/46/90/36/834469036.db2.gz VKHYAKPGEQSDAS-DGTMBMJNSA-N 1 3 315.439 -0.481 20 0 DBADHO C[C@@H]1C[NH2+]CCC[C@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247012969 834469168 /nfs/dbraw/zinc/46/91/68/834469168.db2.gz VKHYAKPGEQSDAS-POQQGIQPSA-N 1 3 315.439 -0.481 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCC2(C[NH2+]C2)C1)O3 ZINC001247010202 834469464 /nfs/dbraw/zinc/46/94/64/834469464.db2.gz NKPYEUIAQMPTBG-NMKXLXIOSA-N 1 3 313.423 -0.727 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N(C)CCOCCO)C1 ZINC001193280960 834481283 /nfs/dbraw/zinc/48/12/83/834481283.db2.gz YSTMCDZRXIBUGE-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N(C)CCOCCO)C1 ZINC001193280960 834481288 /nfs/dbraw/zinc/48/12/88/834481288.db2.gz YSTMCDZRXIBUGE-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO CN(CCn1cccn1)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193488211 834502758 /nfs/dbraw/zinc/50/27/58/834502758.db2.gz MSFINNYZCMEXLP-OAHLLOKOSA-N 1 3 323.441 -0.006 20 0 DBADHO CC[NH+](CC)C[C@@H](O)CNCCC(=O)NCCc1c[nH]cn1 ZINC001253215001 834565486 /nfs/dbraw/zinc/56/54/86/834565486.db2.gz UZMNQLZNRNQMQX-AWEZNQCLSA-N 1 3 311.430 -0.249 20 0 DBADHO CC[NH+](CC)C[C@@H](O)CNCCC(=O)NCCc1cnc[nH]1 ZINC001253215001 834565493 /nfs/dbraw/zinc/56/54/93/834565493.db2.gz UZMNQLZNRNQMQX-AWEZNQCLSA-N 1 3 311.430 -0.249 20 0 DBADHO COC(=O)CN1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253404567 834568429 /nfs/dbraw/zinc/56/84/29/834568429.db2.gz ZIYHKJVKJGPVSW-ZDUSSCGKSA-N 1 3 301.431 -0.038 20 0 DBADHO CC(C)(C)[NH2+]C[C@@H](O)CNC1CCN(S(C)(=O)=O)CC1 ZINC001253404356 834568713 /nfs/dbraw/zinc/56/87/13/834568713.db2.gz ULJLKUMYUBTPQM-LBPRGKRZSA-N 1 3 307.460 -0.251 20 0 DBADHO CC(C)(C)NC[C@@H](O)C[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC001253404356 834568719 /nfs/dbraw/zinc/56/87/19/834568719.db2.gz ULJLKUMYUBTPQM-LBPRGKRZSA-N 1 3 307.460 -0.251 20 0 DBADHO COC[C@H](O)C[N@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284054 834584999 /nfs/dbraw/zinc/58/49/99/834584999.db2.gz FRLBXBNPEJTPPS-UONOGXRCSA-N 1 3 301.431 -0.133 20 0 DBADHO COC[C@H](O)C[N@@H+](C)[C@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284054 834585009 /nfs/dbraw/zinc/58/50/09/834585009.db2.gz FRLBXBNPEJTPPS-UONOGXRCSA-N 1 3 301.431 -0.133 20 0 DBADHO COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284053 834585942 /nfs/dbraw/zinc/58/59/42/834585942.db2.gz FRLBXBNPEJTPPS-KGLIPLIRSA-N 1 3 301.431 -0.133 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284053 834585951 /nfs/dbraw/zinc/58/59/51/834585951.db2.gz FRLBXBNPEJTPPS-KGLIPLIRSA-N 1 3 301.431 -0.133 20 0 DBADHO COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@H]1CC2CCN(CC2)C1 ZINC001254838600 834602608 /nfs/dbraw/zinc/60/26/08/834602608.db2.gz GPEPPZHYZXADAO-STQMWFEESA-N 1 3 311.430 -0.135 20 0 DBADHO COCCn1cccc(C(=O)N(CCCC[NH3+])C(=N)N)c1=O ZINC001194499873 834604719 /nfs/dbraw/zinc/60/47/19/834604719.db2.gz JMIOQOYRVOANBO-UHFFFAOYSA-N 1 3 309.370 -0.431 20 0 DBADHO CN1CC[C@H](N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)C1 ZINC001255428747 834608808 /nfs/dbraw/zinc/60/88/08/834608808.db2.gz PPNLZLVUXSXRBD-JTQLQIEISA-N 1 3 314.411 -0.214 20 0 DBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001195594650 834705260 /nfs/dbraw/zinc/70/52/60/834705260.db2.gz RXLSEBKMOGRVRV-BYNSBNAKSA-N 1 3 313.442 -0.086 20 0 DBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001195594650 834705262 /nfs/dbraw/zinc/70/52/62/834705262.db2.gz RXLSEBKMOGRVRV-BYNSBNAKSA-N 1 3 313.442 -0.086 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261635877 834823674 /nfs/dbraw/zinc/82/36/74/834823674.db2.gz RTCJQBPDHMNXJS-AAEUAGOBSA-N 1 3 312.414 -0.920 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(C2CC[NH+](C[C@@H]3CCOC3)CC2)C1=O ZINC001262200560 834917255 /nfs/dbraw/zinc/91/72/55/834917255.db2.gz AFUGETIERYRFKI-GXTWGEPZSA-N 1 3 324.425 -0.031 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(c2ccc(=O)n(CC[NH+](C)C)c2)C1=O ZINC001262384737 834938058 /nfs/dbraw/zinc/93/80/58/834938058.db2.gz NPPQDOQGRJESDU-LBPRGKRZSA-N 1 3 321.381 -0.604 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001263849223 834990899 /nfs/dbraw/zinc/99/08/99/834990899.db2.gz APIOOMIGUFYQOZ-FRRDWIJNSA-N 1 3 324.425 -0.382 20 0 DBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ncccc1N1CCOCC1 ZINC001199280468 835006941 /nfs/dbraw/zinc/00/69/41/835006941.db2.gz MWCUVZOVHOZFHK-UHFFFAOYSA-N 1 3 320.397 -0.007 20 0 DBADHO CN1CCN(c2ccncc2C(=O)NC2(C[NH3+])COC2)CC1 ZINC001199360963 835016329 /nfs/dbraw/zinc/01/63/29/835016329.db2.gz OLJCNULLWXLBBE-UHFFFAOYSA-N 1 3 305.382 -0.709 20 0 DBADHO COCCN1CCN(CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001265252761 835114950 /nfs/dbraw/zinc/11/49/50/835114950.db2.gz AVVYMSTTWWKIGH-UHFFFAOYSA-N 1 3 324.469 -0.148 20 0 DBADHO COCCCN1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001265264829 835118569 /nfs/dbraw/zinc/11/85/69/835118569.db2.gz FIYKDNFWDXBEAZ-UHFFFAOYSA-N 1 3 324.469 -0.148 20 0 DBADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CCCO)CC1 ZINC001200657717 835144328 /nfs/dbraw/zinc/14/43/28/835144328.db2.gz AFIMHNIWGKIELV-CABCVRRESA-N 1 3 311.426 -0.187 20 0 DBADHO C[NH+](C)[C@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)C1CC1 ZINC001200689051 835145770 /nfs/dbraw/zinc/14/57/70/835145770.db2.gz ZHTBYSOTWFYOEZ-JSGCOSHPSA-N 1 3 312.414 -0.981 20 0 DBADHO CC[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1)N(C)C ZINC001200794838 835152729 /nfs/dbraw/zinc/15/27/29/835152729.db2.gz FZPZVWOSKTWBRF-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CCCO)CC1 ZINC001201701834 835204067 /nfs/dbraw/zinc/20/40/67/835204067.db2.gz SNCRTAICTAQJGS-GULBITTBSA-N 1 3 323.437 -0.187 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001201808383 835210339 /nfs/dbraw/zinc/21/03/39/835210339.db2.gz CMNXQPHECJVESF-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001201808383 835210346 /nfs/dbraw/zinc/21/03/46/835210346.db2.gz CMNXQPHECJVESF-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CCN(CC)CC(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001203010814 835278897 /nfs/dbraw/zinc/27/88/97/835278897.db2.gz WFLVCKQJUXZGAJ-UHFFFAOYSA-N 1 3 301.431 -0.082 20 0 DBADHO O=C([C@@H]1CN2CCC[C@@H]2CO1)N1CCC(C[NH2+]CCO)CC1 ZINC001205344094 835339933 /nfs/dbraw/zinc/33/99/33/835339933.db2.gz BCIXBZBZNKZVRV-CABCVRRESA-N 1 3 311.426 -0.330 20 0 DBADHO CCN(C)C(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702337 835364240 /nfs/dbraw/zinc/36/42/40/835364240.db2.gz YBLZUOYHAIFVPD-CQSZACIVSA-N 1 3 310.442 -0.146 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001266734899 835371309 /nfs/dbraw/zinc/37/13/09/835371309.db2.gz BUULSHVFZKXOSU-TXEJJXNPSA-N 1 3 320.459 -0.887 20 0 DBADHO COC[C@@H](O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206929200 835438031 /nfs/dbraw/zinc/43/80/31/835438031.db2.gz YTNPHNFALIIZTF-HNNXBMFYSA-N 1 3 313.442 -0.082 20 0 DBADHO CN(C)C1(C(=O)NC[C@H]2CC[N@H+](CCOCCO)C2)CCC1 ZINC001267295376 835479500 /nfs/dbraw/zinc/47/95/00/835479500.db2.gz UWUQUVBQFUCFHR-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO CN(C)C1(C(=O)NC[C@H]2CC[N@@H+](CCOCCO)C2)CCC1 ZINC001267295376 835479502 /nfs/dbraw/zinc/47/95/02/835479502.db2.gz UWUQUVBQFUCFHR-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001267372445 835496846 /nfs/dbraw/zinc/49/68/46/835496846.db2.gz QBJNNAHXCVMQTP-OLZOCXBDSA-N 1 3 324.425 -0.288 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001267372445 835496850 /nfs/dbraw/zinc/49/68/50/835496850.db2.gz QBJNNAHXCVMQTP-OLZOCXBDSA-N 1 3 324.425 -0.288 20 0 DBADHO Cc1nc(C)n(CC[NH2+]CCN(C)C(=O)Cc2c[nH]cn2)n1 ZINC001267434701 835512704 /nfs/dbraw/zinc/51/27/04/835512704.db2.gz NLRQSMZZKABIBV-UHFFFAOYSA-N 1 3 305.386 -0.091 20 0 DBADHO CN(CCNCC(=O)N1CCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001267436872 835512829 /nfs/dbraw/zinc/51/28/29/835512829.db2.gz NPGMESMSCXWAMX-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001267961129 835614143 /nfs/dbraw/zinc/61/41/43/835614143.db2.gz WNXCOGKEEBZNFV-ZIAGYGMSSA-N 1 3 306.414 -0.047 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001268010648 835619853 /nfs/dbraw/zinc/61/98/53/835619853.db2.gz CSNPBJBTWRPHFC-GXSJLCMTSA-N 1 3 321.381 -0.592 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCNC(=O)C1CC1 ZINC001268524881 835717165 /nfs/dbraw/zinc/71/71/65/835717165.db2.gz WKURXPIVHHXVHV-HSWBROFVSA-N 1 3 308.426 -0.131 20 0 DBADHO C[C@H](CN(C)C(=O)CCC[NH+](C)C)NCc1nc(=O)n(C)[nH]1 ZINC001485916171 1013428283 /nfs/dbraw/zinc/42/82/83/1013428283.db2.gz LJUNJYFFCHVJNR-LLVKDONJSA-N 1 3 312.418 -0.613 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001485962473 1013451836 /nfs/dbraw/zinc/45/18/36/1013451836.db2.gz YGYRABSWRBGVSB-NWDGAFQWSA-N 1 3 312.414 -0.432 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCc2ccnn2C)C1 ZINC001486033529 1013598661 /nfs/dbraw/zinc/59/86/61/1013598661.db2.gz ITEURANVCGCYLV-UONOGXRCSA-N 1 3 323.441 -0.629 20 0 DBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001486243148 1013726080 /nfs/dbraw/zinc/72/60/80/1013726080.db2.gz QOSCEPVXAUKGIT-STQMWFEESA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@@H](C)C2)CC1(C)C ZINC001486243140 1013727488 /nfs/dbraw/zinc/72/74/88/1013727488.db2.gz QOSCEPVXAUKGIT-CHWSQXEVSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC(NCCS(C)(=O)=O)C1 ZINC001486482388 1013848640 /nfs/dbraw/zinc/84/86/40/1013848640.db2.gz BRGFBQGKAVVSLX-HIFPTAJRSA-N 1 3 317.455 -0.438 20 0 DBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NCCS(C)(=O)=O)C1 ZINC001486482388 1013848647 /nfs/dbraw/zinc/84/86/47/1013848647.db2.gz BRGFBQGKAVVSLX-HIFPTAJRSA-N 1 3 317.455 -0.438 20 0 DBADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001487217074 1013961666 /nfs/dbraw/zinc/96/16/66/1013961666.db2.gz GVKXSTXNNMBSKV-LLVKDONJSA-N 1 3 307.398 -0.133 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCO[C@H](CN[C@@H]3CCNC3=O)C2)CC1 ZINC001051802680 977494209 /nfs/dbraw/zinc/49/42/09/977494209.db2.gz ZMLALMKFAQQMMN-ZIAGYGMSSA-N 1 3 324.425 -0.966 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCO[C@@H](C[NH2+]C[C@H]2CCOC2)C1 ZINC001051848451 977517775 /nfs/dbraw/zinc/51/77/75/977517775.db2.gz RQMGYFOUEBZUAK-OCCSQVGLSA-N 1 3 308.382 -0.194 20 0 DBADHO Cn1cncc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001051931110 977563128 /nfs/dbraw/zinc/56/31/28/977563128.db2.gz TZEGSCZCYBLDCZ-DZGCQCFKSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cncc1CNC[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931110 977563133 /nfs/dbraw/zinc/56/31/33/977563133.db2.gz TZEGSCZCYBLDCZ-DZGCQCFKSA-N 1 3 321.425 -0.311 20 0 DBADHO CNC(=O)CN[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208055687 978312840 /nfs/dbraw/zinc/31/28/40/978312840.db2.gz CDTXBGPPAPNJPJ-KBPBESRZSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063427 978314235 /nfs/dbraw/zinc/31/42/35/978314235.db2.gz NEGJFBKDMJRACT-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001208414208 978364860 /nfs/dbraw/zinc/36/48/60/978364860.db2.gz KKVODQWAFWAAGW-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208432009 978368303 /nfs/dbraw/zinc/36/83/03/978368303.db2.gz HNOUUCWCCFDCML-MGPQQGTHSA-N 1 3 313.442 -0.228 20 0 DBADHO CN(CCC(=O)N1CCC[C@@H](NCC(N)=O)C1)c1cc[nH+]cc1 ZINC001208463781 978374028 /nfs/dbraw/zinc/37/40/28/978374028.db2.gz SPEROAKVMFCWFA-CYBMUJFWSA-N 1 3 319.409 -0.026 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001528862734 1014485831 /nfs/dbraw/zinc/48/58/31/1014485831.db2.gz FPHDPGQNAXBCSE-GFCCVEGCSA-N 1 3 307.398 -0.131 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001528862734 1014485841 /nfs/dbraw/zinc/48/58/41/1014485841.db2.gz FPHDPGQNAXBCSE-GFCCVEGCSA-N 1 3 307.398 -0.131 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CCOCCO)C2)C1 ZINC001209640972 978469765 /nfs/dbraw/zinc/46/97/65/978469765.db2.gz GCYSEWMLBSOHMF-GJZGRUSLSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001209642020 978469802 /nfs/dbraw/zinc/46/98/02/978469802.db2.gz KXTLAYADXUXONP-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210219095 978502572 /nfs/dbraw/zinc/50/25/72/978502572.db2.gz SSFCGOHZSNWMQY-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC001210329798 978507912 /nfs/dbraw/zinc/50/79/12/978507912.db2.gz FPTMUUGQRWLNBC-ZIAGYGMSSA-N 1 3 311.426 -0.472 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001210492394 978513949 /nfs/dbraw/zinc/51/39/49/978513949.db2.gz ARBDBHUJDKHGGH-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001210492394 978513953 /nfs/dbraw/zinc/51/39/53/978513953.db2.gz ARBDBHUJDKHGGH-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CCNC(=O)CN[C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685795 978527515 /nfs/dbraw/zinc/52/75/15/978527515.db2.gz ZQNVFXQHWITSLD-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001211063974 978552854 /nfs/dbraw/zinc/55/28/54/978552854.db2.gz FIZAAUKZKMVFDT-QWHCGFSZSA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001211063974 978552858 /nfs/dbraw/zinc/55/28/58/978552858.db2.gz FIZAAUKZKMVFDT-QWHCGFSZSA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001211063972 978554284 /nfs/dbraw/zinc/55/42/84/978554284.db2.gz FIZAAUKZKMVFDT-CHWSQXEVSA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001211063972 978554292 /nfs/dbraw/zinc/55/42/92/978554292.db2.gz FIZAAUKZKMVFDT-CHWSQXEVSA-N 1 3 317.455 -0.437 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211276000 978562783 /nfs/dbraw/zinc/56/27/83/978562783.db2.gz CWBNDCHIERVYSP-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO C[C@H](NC(=O)CN)c1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001212020715 978607384 /nfs/dbraw/zinc/60/73/84/978607384.db2.gz VUEPUUAPXROPCM-QMMMGPOBSA-N 1 3 302.338 -0.087 20 0 DBADHO COCCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001213728153 978688814 /nfs/dbraw/zinc/68/88/14/978688814.db2.gz CFBPIPMGIAHKOW-ZIAGYGMSSA-N 1 3 311.426 -0.066 20 0 DBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1C ZINC001214855237 978754168 /nfs/dbraw/zinc/75/41/68/978754168.db2.gz ATLZUQCEPIEPDL-KYOSRNDESA-N 1 3 310.442 -0.101 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415932 978769753 /nfs/dbraw/zinc/76/97/53/978769753.db2.gz KYQIXELQRDMTTK-CHWSQXEVSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001216511334 978787470 /nfs/dbraw/zinc/78/74/70/978787470.db2.gz NVZYKXAIKPCRTF-ZIAGYGMSSA-N 1 3 301.431 -0.226 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001216511335 978788371 /nfs/dbraw/zinc/78/83/71/978788371.db2.gz NXNDWUMQPVHNDO-HZSPNIEDSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCCS(C)(=O)=O ZINC001216754245 978793491 /nfs/dbraw/zinc/79/34/91/978793491.db2.gz MLYLGKUFQSPINM-JHJVBQTASA-N 1 3 317.455 -0.581 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCCS(C)(=O)=O ZINC001216754245 978793493 /nfs/dbraw/zinc/79/34/93/978793493.db2.gz MLYLGKUFQSPINM-JHJVBQTASA-N 1 3 317.455 -0.581 20 0 DBADHO C[NH2+][C@H]1C[C@H](Oc2c(C(=O)OC)nc(C(C)(C)N)n(C)c2=O)C1 ZINC001217952439 978819271 /nfs/dbraw/zinc/81/92/71/978819271.db2.gz YUXUUVJUUTWKTJ-KYZUINATSA-N 1 3 324.381 -0.110 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1CC[NH2+]C1 ZINC001218037501 978819423 /nfs/dbraw/zinc/81/94/23/978819423.db2.gz AYWBZNBZPRGMKP-MRVPVSSYSA-N 1 3 310.354 -0.499 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CC[C@@H]3[NH2+]CCO[C@@H]32)cc1 ZINC001218120543 978821227 /nfs/dbraw/zinc/82/12/27/978821227.db2.gz UZJFRCRVNWIYPL-AJNGGQMLSA-N 1 3 305.378 -0.060 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C=CC[NH2+]C1 ZINC001218330512 978822801 /nfs/dbraw/zinc/82/28/01/978822801.db2.gz FXGGWHUNEUXFTR-SECBINFHSA-N 1 3 322.365 -0.333 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+][C@@H]1C ZINC001218387810 978823495 /nfs/dbraw/zinc/82/34/95/978823495.db2.gz ZLMJVAQXBJGXGY-SFYZADRCSA-N 1 3 310.354 -0.500 20 0 DBADHO Cn1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218497430 978825390 /nfs/dbraw/zinc/82/53/90/978825390.db2.gz SGMCJAHIVDGOMW-RYUDHWBXSA-N 1 3 322.413 -0.194 20 0 DBADHO Cc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n2ncnc2n1 ZINC001218527367 978828697 /nfs/dbraw/zinc/82/86/97/978828697.db2.gz IVBDENWWBUNJFW-QMTHXVAHSA-N 1 3 301.354 -0.430 20 0 DBADHO [NH3+][C@@H]1CCc2nc(NC(=O)[C@@H]3COC4(CNC4)CN3)sc2C1 ZINC001218531769 978829269 /nfs/dbraw/zinc/82/92/69/978829269.db2.gz AVQJFUSCNWGYAL-SCZZXKLOSA-N 1 3 323.422 -0.772 20 0 DBADHO O=C(Nc1ccc(N2CCOCC2)nc1)[C@H]1C[NH2+]CC12CNC2 ZINC001218551208 978831062 /nfs/dbraw/zinc/83/10/62/978831062.db2.gz JAUPNWWQYIKNSZ-CYBMUJFWSA-N 1 3 317.393 -0.334 20 0 DBADHO N[C@@H](C(=O)Nc1nccnc1N1CCOCC1)C1CC[NH2+]CC1 ZINC001218570470 978832689 /nfs/dbraw/zinc/83/26/89/978832689.db2.gz KIKKZDXHOQMMCJ-GFCCVEGCSA-N 1 3 320.397 -0.421 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1ccnnc1 ZINC001218568629 978832740 /nfs/dbraw/zinc/83/27/40/978832740.db2.gz LTFJSAZCDGVYIA-STQMWFEESA-N 1 3 320.397 -0.138 20 0 DBADHO O=C(Nc1cncc(N2CCOCC2)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218575066 978832976 /nfs/dbraw/zinc/83/29/76/978832976.db2.gz AZIFMTDKYUITND-NSHDSACASA-N 1 3 318.381 -0.939 20 0 DBADHO Cn1nc(Br)cc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218582260 978833739 /nfs/dbraw/zinc/83/37/39/978833739.db2.gz GYBPJQQLQGFJTP-SSDOTTSWSA-N 1 3 314.187 -0.070 20 0 DBADHO COC(=O)Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)cn1 ZINC001218609204 978835838 /nfs/dbraw/zinc/83/58/38/978835838.db2.gz CUCREOHGVBCHPT-QMTHXVAHSA-N 1 3 307.354 -0.806 20 0 DBADHO Cn1cncc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218622233 978838176 /nfs/dbraw/zinc/83/81/76/978838176.db2.gz QIQXNIAQLQRWAZ-RYUDHWBXSA-N 1 3 322.413 -0.194 20 0 DBADHO Nc1cccnc1N(C(=O)[C@@H]1CNCCN1)C1CC[NH2+]CC1 ZINC001218696279 978845809 /nfs/dbraw/zinc/84/58/09/978845809.db2.gz QMTUANISNZLBBK-ZDUSSCGKSA-N 1 3 304.398 -0.690 20 0 DBADHO CCOC(=O)c1ncc(NC(=O)[C@H](N)C2CC[NH2+]CC2)cn1 ZINC001218756725 978851256 /nfs/dbraw/zinc/85/12/56/978851256.db2.gz GNCHLKQQRMNKGM-LLVKDONJSA-N 1 3 307.354 -0.081 20 0 DBADHO CCc1c(NC(=O)[C@H](N)C2CC[NH2+]CC2)c(C(N)=O)nn1C ZINC001218789019 978852103 /nfs/dbraw/zinc/85/21/03/978852103.db2.gz XKDWRAZRPVATON-SNVBAGLBSA-N 1 3 308.386 -0.653 20 0 DBADHO O=C(Nc1ccc2c(c1)OCC(=O)N2)[C@@H]1C[NH2+]CC12CNC2 ZINC001218851395 978855275 /nfs/dbraw/zinc/85/52/75/978855275.db2.gz POYDWRCXDIATJQ-JTQLQIEISA-N 1 3 302.334 -0.235 20 0 DBADHO COC(=O)Cc1ccc(O)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218868527 978856290 /nfs/dbraw/zinc/85/62/90/978856290.db2.gz BYLKZRDNWFNULP-NSHDSACASA-N 1 3 319.361 -0.145 20 0 DBADHO CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@H](N)CCC[NH3+] ZINC001218894811 978857899 /nfs/dbraw/zinc/85/78/99/978857899.db2.gz VNFUFUSKZXITQN-SNVBAGLBSA-N 1 3 314.411 -0.058 20 0 DBADHO O=C(Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218991067 978863807 /nfs/dbraw/zinc/86/38/07/978863807.db2.gz OXVFKFUVTZLXES-JTQLQIEISA-N 1 3 315.333 -0.212 20 0 DBADHO COc1cc2c(cc1NC(=O)[C@@H](O)CN)NC(=O)[C@]21CC[NH2+]C1 ZINC001219501555 978953958 /nfs/dbraw/zinc/95/39/58/978953958.db2.gz WPMUDDWXCIMKRC-NHYWBVRUSA-N 1 3 320.349 -0.864 20 0 DBADHO C[C@H]1CC[C@H](NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[NH2+]1 ZINC001219582379 978970823 /nfs/dbraw/zinc/97/08/23/978970823.db2.gz DMQRYBYKOFSLQA-GARJFASQSA-N 1 3 301.412 -0.980 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001219641228 978987339 /nfs/dbraw/zinc/98/73/39/978987339.db2.gz GQZPNTHRSFNCFX-TUAOUCFPSA-N 1 3 315.439 -0.875 20 0 DBADHO N[C@@]1(C(=O)NCCC2(O)C[NH2+]C2)CCc2cc(F)ccc2C1 ZINC001219696951 978994942 /nfs/dbraw/zinc/99/49/42/978994942.db2.gz NYKBNWZEIWIWLX-INIZCTEOSA-N 1 3 307.369 -0.148 20 0 DBADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@@H]1COC2(CNC2)CN1 ZINC001219703122 978996911 /nfs/dbraw/zinc/99/69/11/978996911.db2.gz BETUAOSUZKBFEB-HNNXBMFYSA-N 1 3 316.405 -0.721 20 0 DBADHO O=C(NCc1ccc2c(c1)CC[NH2+]C2)[C@H]1COC2(CNC2)CN1 ZINC001219703123 978997816 /nfs/dbraw/zinc/99/78/16/978997816.db2.gz BETUAOSUZKBFEB-OAHLLOKOSA-N 1 3 316.405 -0.721 20 0 DBADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219714030 978999401 /nfs/dbraw/zinc/99/94/01/978999401.db2.gz DWYYHRGMJQQHDW-MGPQQGTHSA-N 1 3 321.377 -0.714 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743633 979006771 /nfs/dbraw/zinc/00/67/71/979006771.db2.gz IHQCCOWPIQNXQI-QSRBQVKKSA-N 1 3 317.455 -0.500 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@@]1(F)CCC[NH2+]C1 ZINC001219767721 979011218 /nfs/dbraw/zinc/01/12/18/979011218.db2.gz CTBZGLODQOPUKK-SMDDNHRTSA-N 1 3 302.394 -0.316 20 0 DBADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)c1cncc2c1CCNC2 ZINC001219814620 979023630 /nfs/dbraw/zinc/02/36/30/979023630.db2.gz IJKOTPRALRQXOP-LRDDRELGSA-N 1 3 302.378 -0.307 20 0 DBADHO NC1(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC(F)C1 ZINC001219836536 979027261 /nfs/dbraw/zinc/02/72/61/979027261.db2.gz ADQYOSJIYVFWFQ-AKXGODRKSA-N 1 3 301.362 -0.673 20 0 DBADHO NC1(C(=O)NC[C@@H]2CO[C@@]3(C2)C[NH2+]CCOC3)CC(F)C1 ZINC001219836538 979027765 /nfs/dbraw/zinc/02/77/65/979027765.db2.gz ADQYOSJIYVFWFQ-VSUDMTKCSA-N 1 3 301.362 -0.673 20 0 DBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@@H]1C[C@@H](F)CCN1 ZINC001219834021 979027888 /nfs/dbraw/zinc/02/78/88/979027888.db2.gz NRCVNMOUVFMLCA-OSFYFWSMSA-N 1 3 315.389 -0.412 20 0 DBADHO NC1(C(=O)NC[C@H]2CO[C@]3(C2)C[NH2+]CCOC3)CC(F)C1 ZINC001219836539 979028032 /nfs/dbraw/zinc/02/80/32/979028032.db2.gz ADQYOSJIYVFWFQ-YTOAPMJUSA-N 1 3 301.362 -0.673 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001219847285 979030430 /nfs/dbraw/zinc/03/04/30/979030430.db2.gz BSTBXFXRYWZNMN-XFIYOXNOSA-N 1 3 322.453 -0.304 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1C[NH2+]CC12CCOCC2 ZINC001219848431 979031315 /nfs/dbraw/zinc/03/13/15/979031315.db2.gz YSIMBVHFRBNSFE-XDQVBPFNSA-N 1 3 309.410 -0.362 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1CCCN([C@H]2CC[NH2+]C2)C1 ZINC001219847284 979031385 /nfs/dbraw/zinc/03/13/85/979031385.db2.gz BSTBXFXRYWZNMN-UVPYHEFZSA-N 1 3 322.453 -0.304 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@H]1CCCCN1[C@@H]1CC[NH2+]C1 ZINC001219849760 979031802 /nfs/dbraw/zinc/03/18/02/979031802.db2.gz IHHVUMRCCHCTMW-LYYZXLFJSA-N 1 3 322.453 -0.162 20 0 DBADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001219850217 979031933 /nfs/dbraw/zinc/03/19/33/979031933.db2.gz OAJKBDJCWAVRSO-RUCLQGLUSA-N 1 3 323.437 -0.114 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)cn1 ZINC001219854742 979033256 /nfs/dbraw/zinc/03/32/56/979033256.db2.gz SDGGJEPATSAHFM-MROQNXINSA-N 1 3 306.366 -0.417 20 0 DBADHO Cn1cc2c(n1)[C@@H](CNC(=O)[C@@H](N)CSCC[NH3+])OCC2 ZINC001219888839 979038992 /nfs/dbraw/zinc/03/89/92/979038992.db2.gz VYUFPUUHVXHJFZ-WDEREUQCSA-N 1 3 313.427 -0.831 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219891491 979039552 /nfs/dbraw/zinc/03/95/52/979039552.db2.gz VSHWWYHOVGSYJD-MNOVXSKESA-N 1 3 310.423 -0.220 20 0 DBADHO N[C@H](C(=O)NC[C@H](O)COc1ccccc1)C1CC[NH2+]CC1 ZINC001219918795 979042477 /nfs/dbraw/zinc/04/24/77/979042477.db2.gz QXPAPGQDHZZWEG-ZFWWWQNUSA-N 1 3 307.394 -0.131 20 0 DBADHO CS(=O)(=O)N(C(=O)[C@H]1NCC[C@H]1O)c1ccc(C[NH3+])cc1 ZINC001219939072 979045898 /nfs/dbraw/zinc/04/58/98/979045898.db2.gz QHPAZRIOJUWUCR-NEPJUHHUSA-N 1 3 313.379 -0.839 20 0 DBADHO CCOC(=O)c1nnc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)o1 ZINC001220010908 979061936 /nfs/dbraw/zinc/06/19/36/979061936.db2.gz MCVBNXDFGICUAH-SNVBAGLBSA-N 1 3 311.342 -0.811 20 0 DBADHO Cc1nc(N)ccc1CNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220071749 979087559 /nfs/dbraw/zinc/08/75/59/979087559.db2.gz PMSPHDYVKQDQDU-ZDUSSCGKSA-N 1 3 306.414 -0.661 20 0 DBADHO COC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220079752 979087750 /nfs/dbraw/zinc/08/77/50/979087750.db2.gz YXAJMBVVOSBWMX-IUCAKERBSA-N 1 3 309.457 -0.584 20 0 DBADHO N[C@H](C(=O)NCCC1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001220141279 979109853 /nfs/dbraw/zinc/10/98/53/979109853.db2.gz JNTVXXUXTZLEAR-ZDUSSCGKSA-N 1 3 317.455 -0.356 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC23CNC3)[C@H](C)OC1 ZINC001220138889 979111241 /nfs/dbraw/zinc/11/12/41/979111241.db2.gz JRBPHIFXSFNGLH-ONGXEEELSA-N 1 3 309.366 -0.853 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)NCc1cc(OC2COC2)ccn1 ZINC001220183324 979126776 /nfs/dbraw/zinc/12/67/76/979126776.db2.gz LRUYRCYYMPEETB-AWEZNQCLSA-N 1 3 308.382 -0.068 20 0 DBADHO N[C@H](C(=O)NCc1cc(OC2COC2)ccn1)C1CC[NH2+]CC1 ZINC001220186585 979130842 /nfs/dbraw/zinc/13/08/42/979130842.db2.gz RZTMLLBJZWUGGZ-HNNXBMFYSA-N 1 3 320.393 -0.198 20 0 DBADHO CCOC(=O)CC[C@H](NC(=O)[C@H](N)CCC[NH3+])C(=O)OCC ZINC001220230727 979142989 /nfs/dbraw/zinc/14/29/89/979142989.db2.gz NSIKTEGOEUITEQ-MNOVXSKESA-N 1 3 317.386 -0.556 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NCCn1nnc2ccccc21 ZINC001220272646 979151158 /nfs/dbraw/zinc/15/11/58/979151158.db2.gz HAUGKIQBZCMMQH-JTQLQIEISA-N 1 3 308.411 -0.433 20 0 DBADHO NC[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](CO)Cc2c[nH]cn2)cc1 ZINC001220291351 979157337 /nfs/dbraw/zinc/15/73/37/979157337.db2.gz RREBNTZEVUEMDB-ZIAGYGMSSA-N 1 3 303.366 -0.298 20 0 DBADHO O=C(COC1CC[NH2+]CC1)NCc1ncn2c1CNCCC2 ZINC001220311697 979162818 /nfs/dbraw/zinc/16/28/18/979162818.db2.gz PQCXHOMNONZJJQ-UHFFFAOYSA-N 1 3 307.398 -0.239 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220318797 979166156 /nfs/dbraw/zinc/16/61/56/979166156.db2.gz BHRPOKWCECWQOB-WFGGJUAMSA-N 1 3 324.425 -0.648 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220318907 979167585 /nfs/dbraw/zinc/16/75/85/979167585.db2.gz BSBDZJPRWJGLFE-XTHNNASWSA-N 1 3 303.428 -0.890 20 0 DBADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220333686 979172324 /nfs/dbraw/zinc/17/23/24/979172324.db2.gz XTLILZDOHIHJBO-ZIAGYGMSSA-N 1 3 310.442 -0.447 20 0 DBADHO CCOC(=O)C1(NC(=O)CNCCC[NH3+])CCN(C)CC1 ZINC001220345758 979175309 /nfs/dbraw/zinc/17/53/09/979175309.db2.gz NXXPDUWDISMUNS-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO NCc1ccc2c(n1)N(C(=O)[C@]13C[NH2+]C[C@H]1CCN3)CCC2 ZINC001220377076 979180417 /nfs/dbraw/zinc/18/04/17/979180417.db2.gz JCZVFCFRIDMNMT-WBMJQRKESA-N 1 3 301.394 -0.229 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1COCCN1C ZINC001220380663 979183896 /nfs/dbraw/zinc/18/38/96/979183896.db2.gz BCEKIAXLZJLTTH-KGLIPLIRSA-N 1 3 300.447 -0.071 20 0 DBADHO CO[C@@H](C)CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001220392764 979186501 /nfs/dbraw/zinc/18/65/01/979186501.db2.gz KUNJTPDAFLFBFP-AVGNSLFASA-N 1 3 314.430 -0.415 20 0 DBADHO COc1ccc(CCNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)nc1 ZINC001220396438 979188323 /nfs/dbraw/zinc/18/83/23/979188323.db2.gz BLZZPLAWKWAZAS-MLGOLLRUSA-N 1 3 304.394 -0.052 20 0 DBADHO O=C(N[C@H]1C(=O)NCc2ccccc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220403482 979191776 /nfs/dbraw/zinc/19/17/76/979191776.db2.gz SKDVEUWSXOXITJ-QWHCGFSZSA-N 1 3 300.362 -0.717 20 0 DBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)Cc2c[nH]cn2)O1 ZINC001220481942 979209146 /nfs/dbraw/zinc/20/91/46/979209146.db2.gz WSUZWWLNEPWQGA-BYNQJWBRSA-N 1 3 311.386 -0.880 20 0 DBADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220479502 979210225 /nfs/dbraw/zinc/21/02/25/979210225.db2.gz NZRQQNXXMCHTJV-QWRGUYRKSA-N 1 3 301.387 -0.868 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@]2(C)CC[NH2+]C[C@@H]2O)CCNC1 ZINC001220521213 979223644 /nfs/dbraw/zinc/22/36/44/979223644.db2.gz AASLORCFGDQRIP-SWLSCSKDSA-N 1 3 311.382 -0.726 20 0 DBADHO CCOC(=O)C1=C(NC(=O)C2=NO[C@]3(CC[NH2+]C3)C2)CCNC1 ZINC001220521483 979224310 /nfs/dbraw/zinc/22/43/10/979224310.db2.gz HICQKLLWMBAJHT-OAHLLOKOSA-N 1 3 322.365 -0.579 20 0 DBADHO CCOC(=O)C1=C(NC(=O)c2[nH]nc3c2CNCC3)CC[NH2+]C1 ZINC001220525666 979226020 /nfs/dbraw/zinc/22/60/20/979226020.db2.gz NZVYXRPCGBBOTQ-UHFFFAOYSA-N 1 3 319.365 -0.404 20 0 DBADHO O=C(NCCN1CC2(COC2)C1)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220571658 979235833 /nfs/dbraw/zinc/23/58/33/979235833.db2.gz WUMKXWVSJOXKFC-CYBMUJFWSA-N 1 3 308.426 -0.691 20 0 DBADHO NC(=O)c1ccccc1OCCNC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220718523 979270461 /nfs/dbraw/zinc/27/04/61/979270461.db2.gz BKJSKUXAWRPDGV-AWEZNQCLSA-N 1 3 320.393 -0.393 20 0 DBADHO COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220769216 979281592 /nfs/dbraw/zinc/28/15/92/979281592.db2.gz KZGPNSOJZDHUJK-RYUDHWBXSA-N 1 3 311.386 -0.923 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799495 979288910 /nfs/dbraw/zinc/28/89/10/979288910.db2.gz BPDQAPKGNUTWNX-UTLUCORTSA-N 1 3 305.304 -0.064 20 0 DBADHO O=C(NCCN1CCC(F)(F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220808680 979290932 /nfs/dbraw/zinc/29/09/32/979290932.db2.gz UUUCREDKFLASTI-DGCLKSJQSA-N 1 3 302.369 -0.357 20 0 DBADHO CC(C)(C)C(=O)CN1CCC(NC(=O)[C@@H]2C[C@H]([NH3+])CN2)CC1 ZINC001220908855 979317822 /nfs/dbraw/zinc/31/78/22/979317822.db2.gz AETARUIJBBDKQS-AAEUAGOBSA-N 1 3 310.442 -0.129 20 0 DBADHO CC(C)(C)C(=O)CN1CCC(NC(=O)[C@@H]2C[C@H](N)C[NH2+]2)CC1 ZINC001220908855 979317835 /nfs/dbraw/zinc/31/78/35/979317835.db2.gz AETARUIJBBDKQS-AAEUAGOBSA-N 1 3 310.442 -0.129 20 0 DBADHO CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001221008286 979348315 /nfs/dbraw/zinc/34/83/15/979348315.db2.gz QCCCMIIGQSCGQB-MGPQQGTHSA-N 1 3 322.453 -0.005 20 0 DBADHO CC(=O)OCN1CCC(NC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001221258885 979393331 /nfs/dbraw/zinc/39/33/31/979393331.db2.gz QBHBXOJEVUAMHZ-ZDUSSCGKSA-N 1 3 300.403 -0.456 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC001221340621 979407809 /nfs/dbraw/zinc/40/78/09/979407809.db2.gz ZGBQUFPHLFIXJF-ZUWCUPBKSA-N 1 3 324.425 -0.805 20 0 DBADHO O=C(NCc1ccc2oc(=O)[nH]c2c1)[C@H]1C[NH2+]CC12CNC2 ZINC001221385466 979410257 /nfs/dbraw/zinc/41/02/57/979410257.db2.gz PRHJVURQYSSGGN-SNVBAGLBSA-N 1 3 302.334 -0.041 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]CC[C@@H]3O)CC2)NC1 ZINC001221390170 979410502 /nfs/dbraw/zinc/41/05/02/979410502.db2.gz BDQCBMLUAOEZAO-ZFWWWQNUSA-N 1 3 306.410 -0.475 20 0 DBADHO O=C(NCc1ccc2oc(=O)[nH]c2c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221385462 979410962 /nfs/dbraw/zinc/41/09/62/979410962.db2.gz PRHJVURQYSSGGN-JTQLQIEISA-N 1 3 302.334 -0.041 20 0 DBADHO C[C@@]1(C(=O)N2CCC(C3=CC=C(N)CN3)CC2)CC[NH2+]C[C@@H]1O ZINC001221391628 979412466 /nfs/dbraw/zinc/41/24/66/979412466.db2.gz OEHSWENUEAVAKU-DOTOQJQBSA-N 1 3 320.437 -0.085 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001221398167 979414204 /nfs/dbraw/zinc/41/42/04/979414204.db2.gz VFWWLNULNRHUJA-LSDHHAIUSA-N 1 3 316.405 -0.853 20 0 DBADHO CC(=O)O[C@@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221399735 979415632 /nfs/dbraw/zinc/41/56/32/979415632.db2.gz STNFGKWZRLRDNU-HRCADAONSA-N 1 3 317.389 -0.032 20 0 DBADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H](N)CC[S@](C)=O)c1 ZINC001221403684 979415729 /nfs/dbraw/zinc/41/57/29/979415729.db2.gz JPOJRNRXNIHZPJ-BYVOGVQKSA-N 1 3 313.423 -0.093 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001221398166 979416254 /nfs/dbraw/zinc/41/62/54/979416254.db2.gz VFWWLNULNRHUJA-GJZGRUSLSA-N 1 3 316.405 -0.853 20 0 DBADHO CCOC(=O)[C@@]12CN(C[C@@H]3CNCCO3)C[C@@H]1C[NH2+]CCC2 ZINC001222125831 979497023 /nfs/dbraw/zinc/49/70/23/979497023.db2.gz XPBLAZNRNCORHE-DZKIICNBSA-N 1 3 311.426 -0.161 20 0 DBADHO CN1CC[C@@H](N2CCC(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001224347247 979570363 /nfs/dbraw/zinc/57/03/63/979570363.db2.gz ZEFAFPLYVCWZBR-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1CCN(C2CCN(C(=O)CN3CC[NH2+]CC3)CC2)CC1 ZINC001330640212 979828250 /nfs/dbraw/zinc/82/82/50/979828250.db2.gz CKEDETRUUFYIOR-UHFFFAOYSA-N 1 3 309.458 -0.870 20 0 DBADHO CC(C)OCCN[C@H](CO)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001331713080 979893986 /nfs/dbraw/zinc/89/39/86/979893986.db2.gz VZVYJKYTMZKTKE-LSDHHAIUSA-N 1 3 313.442 -0.180 20 0 DBADHO C[NH+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001344771792 980008018 /nfs/dbraw/zinc/00/80/18/980008018.db2.gz AAGAAQHZKVRNJG-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CCCN(C)CC(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001349063744 980407513 /nfs/dbraw/zinc/40/75/13/980407513.db2.gz DMLIKZFFSYDLHA-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001349786017 980508662 /nfs/dbraw/zinc/50/86/62/980508662.db2.gz CCEXZZGCAGLFRM-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[NH2+]CCC34CCC4)C[C@@H]21 ZINC001349796902 980509754 /nfs/dbraw/zinc/50/97/54/980509754.db2.gz SLVVZLCLNHGHAN-KGLIPLIRSA-N 1 3 320.437 -0.107 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCSC1 ZINC001350026885 980534126 /nfs/dbraw/zinc/53/41/26/980534126.db2.gz JXASLUXVINYPIA-JTNHKYCSSA-N 1 3 314.455 -0.607 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCSC1 ZINC001350026886 980534427 /nfs/dbraw/zinc/53/44/27/980534427.db2.gz JXASLUXVINYPIA-MJVIPROJSA-N 1 3 314.455 -0.607 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC001350334102 980562398 /nfs/dbraw/zinc/56/23/98/980562398.db2.gz RVQDISKCHQHAHN-UONOGXRCSA-N 1 3 324.425 -0.791 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C12CC(C1)C[NH2+]2 ZINC001353527631 980807293 /nfs/dbraw/zinc/80/72/93/980807293.db2.gz WIOBRPAVGHYFFN-UYJPIKCFSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC001353526911 980807733 /nfs/dbraw/zinc/80/77/33/980807733.db2.gz QASNNDWBFZAPOX-LXTVHRRPSA-N 1 3 322.453 -0.099 20 0 DBADHO COCCN1CC[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001357396957 981053483 /nfs/dbraw/zinc/05/34/83/981053483.db2.gz MJDYJLHCSMMBGP-QWHCGFSZSA-N 1 3 312.414 -0.979 20 0 DBADHO CN1CCN(CCCNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC001357431341 981060023 /nfs/dbraw/zinc/06/00/23/981060023.db2.gz SUUXTTVLTVDOMH-MRXNPFEDSA-N 1 3 323.441 -0.361 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CN1C1CC1 ZINC001357428956 981060279 /nfs/dbraw/zinc/06/02/79/981060279.db2.gz UBGNOVRERITGPW-DYEKYZERSA-N 1 3 308.426 -0.075 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001530832153 1014804742 /nfs/dbraw/zinc/80/47/42/1014804742.db2.gz MUQUHQDPKGKPBB-HIFRSBDPSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001530832153 1014804746 /nfs/dbraw/zinc/80/47/46/1014804746.db2.gz MUQUHQDPKGKPBB-HIFRSBDPSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1C[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C(C)(C)C1 ZINC001363618772 982538537 /nfs/dbraw/zinc/53/85/37/982538537.db2.gz PVWXFALRIMCSJI-QWHCGFSZSA-N 1 3 310.442 -0.147 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001365821781 983544893 /nfs/dbraw/zinc/54/48/93/983544893.db2.gz AGDICXZYRJKSMA-UPJWGTAASA-N 1 3 317.455 -0.533 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001365821781 983544897 /nfs/dbraw/zinc/54/48/97/983544897.db2.gz AGDICXZYRJKSMA-UPJWGTAASA-N 1 3 317.455 -0.533 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH+](CCO)CCO)C1)N(C)C ZINC001365871022 983565624 /nfs/dbraw/zinc/56/56/24/983565624.db2.gz DDOUSNPGJRPWES-KBPBESRZSA-N 1 3 301.431 -0.396 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001366104188 983698094 /nfs/dbraw/zinc/69/80/94/983698094.db2.gz IHNRTMFTWVVUIM-STQMWFEESA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001366104188 983698104 /nfs/dbraw/zinc/69/81/04/983698104.db2.gz IHNRTMFTWVVUIM-STQMWFEESA-N 1 3 317.455 -0.437 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001366124919 983708898 /nfs/dbraw/zinc/70/88/98/983708898.db2.gz MUVBHLAHHUZSHY-DBIOUOCHSA-N 1 3 313.402 -0.853 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001366133030 983714541 /nfs/dbraw/zinc/71/45/41/983714541.db2.gz WMSCITFWRDXEGE-AAVRWANBSA-N 1 3 301.431 -0.183 20 0 DBADHO CS(=O)(=O)CCN[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001366172812 983731037 /nfs/dbraw/zinc/73/10/37/983731037.db2.gz QNFNUYJBLYYWIA-TXEJJXNPSA-N 1 3 315.439 -0.636 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001366236444 983750281 /nfs/dbraw/zinc/75/02/81/983750281.db2.gz CMVYIOFOANVQSX-BJJPWKGXSA-N 1 3 308.426 -0.493 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001366236444 983750287 /nfs/dbraw/zinc/75/02/87/983750287.db2.gz CMVYIOFOANVQSX-BJJPWKGXSA-N 1 3 308.426 -0.493 20 0 DBADHO COC[C@H](O)CN(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001366569729 983863711 /nfs/dbraw/zinc/86/37/11/983863711.db2.gz GMSDRZZLCLJEIF-CQSZACIVSA-N 1 3 301.431 -0.226 20 0 DBADHO CNC(=O)CNC[C@@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001367185103 984208790 /nfs/dbraw/zinc/20/87/90/984208790.db2.gz GTKYSQFGVCOBTI-OAHLLOKOSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@](C)(NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001367185086 984209490 /nfs/dbraw/zinc/20/94/90/984209490.db2.gz GTKYSQFGVCOBTI-HNNXBMFYSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)COC)N(C)C ZINC001367224518 984218724 /nfs/dbraw/zinc/21/87/24/984218724.db2.gz HBRQDAJIPUBINU-HZSPNIEDSA-N 1 3 301.431 -0.086 20 0 DBADHO C[C@H](CNCC(=O)Nc1ccon1)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001367290170 984251873 /nfs/dbraw/zinc/25/18/73/984251873.db2.gz LZBKGGHZDGVSJD-NEPJUHHUSA-N 1 3 323.397 -0.093 20 0 DBADHO C[C@H](CNCC(=O)Nc1ccon1)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367290170 984251882 /nfs/dbraw/zinc/25/18/82/984251882.db2.gz LZBKGGHZDGVSJD-NEPJUHHUSA-N 1 3 323.397 -0.093 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001367577414 984370630 /nfs/dbraw/zinc/37/06/30/984370630.db2.gz FWLHHXVRZCITFP-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCC(=O)N(C)C ZINC001367577414 984370639 /nfs/dbraw/zinc/37/06/39/984370639.db2.gz FWLHHXVRZCITFP-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CCCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001367577414 984370647 /nfs/dbraw/zinc/37/06/47/984370647.db2.gz FWLHHXVRZCITFP-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001367577417 984371315 /nfs/dbraw/zinc/37/13/15/984371315.db2.gz FWLHHXVRZCITFP-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001367577417 984371326 /nfs/dbraw/zinc/37/13/26/984371326.db2.gz FWLHHXVRZCITFP-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CCCN1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001367577417 984371336 /nfs/dbraw/zinc/37/13/36/984371336.db2.gz FWLHHXVRZCITFP-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1)C1CCC1 ZINC001367594660 984403287 /nfs/dbraw/zinc/40/32/87/984403287.db2.gz NKRZOLFFONAIPO-AWEZNQCLSA-N 1 3 309.414 -0.529 20 0 DBADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cnn(C)c1)C1CCC1 ZINC001367594663 984404181 /nfs/dbraw/zinc/40/41/81/984404181.db2.gz NKRZOLFFONAIPO-CQSZACIVSA-N 1 3 309.414 -0.529 20 0 DBADHO Cc1nc(CNC[C@H](O)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001367605736 984436806 /nfs/dbraw/zinc/43/68/06/984436806.db2.gz UIJSKXBTYKTCRW-LBPRGKRZSA-N 1 3 310.402 -0.978 20 0 DBADHO CNC(=O)CNC[C@H](O)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001367627410 984491125 /nfs/dbraw/zinc/49/11/25/984491125.db2.gz VPCSIWQJOUOSDN-STQMWFEESA-N 1 3 314.430 -0.936 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001367699731 984549322 /nfs/dbraw/zinc/54/93/22/984549322.db2.gz QLFZPVJHEGJPBS-BBBLOLIVSA-N 1 3 301.391 -0.996 20 0 DBADHO CCN1CC[C@@H](NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001367708626 984554156 /nfs/dbraw/zinc/55/41/56/984554156.db2.gz YQVOAKKJEIRUTD-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367714157 984561452 /nfs/dbraw/zinc/56/14/52/984561452.db2.gz ZPOKENTVILRIDE-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNCC(=O)NCC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367714157 984561467 /nfs/dbraw/zinc/56/14/67/984561467.db2.gz ZPOKENTVILRIDE-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO NC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001368144151 984882219 /nfs/dbraw/zinc/88/22/19/984882219.db2.gz JGUQQQLVTMZXMB-ZDUSSCGKSA-N 1 3 308.426 -0.168 20 0 DBADHO CN(CC(=O)NC[C@H]([NH2+][C@H]1CCNC1=O)C1CC1)C1CCC1 ZINC001490673981 1015078547 /nfs/dbraw/zinc/07/85/47/1015078547.db2.gz OBHXINJSWIEGOU-KBPBESRZSA-N 1 3 308.426 -0.156 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)[NH+]1CCCC1 ZINC001368276875 985024453 /nfs/dbraw/zinc/02/44/53/985024453.db2.gz QLHHDZVKPRXXPA-HOCLYGCPSA-N 1 3 313.442 -0.348 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2C1)N(C)C ZINC001368362061 985118381 /nfs/dbraw/zinc/11/83/81/985118381.db2.gz FERHMPJIXWJZHR-XGUBFFRZSA-N 1 3 313.442 -0.276 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2C1)N(C)C ZINC001368362061 985118387 /nfs/dbraw/zinc/11/83/87/985118387.db2.gz FERHMPJIXWJZHR-XGUBFFRZSA-N 1 3 313.442 -0.276 20 0 DBADHO CCCN(C)CC(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1 ZINC001368491986 985220444 /nfs/dbraw/zinc/22/04/44/985220444.db2.gz AWGUEVCOTOTTRX-UHFFFAOYSA-N 1 3 313.402 -0.848 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001368513423 985239021 /nfs/dbraw/zinc/23/90/21/985239021.db2.gz RKJYYMWZUSRRCF-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001368513423 985239033 /nfs/dbraw/zinc/23/90/33/985239033.db2.gz RKJYYMWZUSRRCF-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001368582627 985290541 /nfs/dbraw/zinc/29/05/41/985290541.db2.gz KOZNGJLYDIAKMX-GFCCVEGCSA-N 1 3 312.414 -0.966 20 0 DBADHO CC(=O)NCCOCC[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001490843381 1015129076 /nfs/dbraw/zinc/12/90/76/1015129076.db2.gz YNOXVSWMOZIVET-ZDUSSCGKSA-N 1 3 323.397 -0.705 20 0 DBADHO COC[C@H](O)C[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001368821906 985476740 /nfs/dbraw/zinc/47/67/40/985476740.db2.gz JRBNTAFJJXOUGZ-WXRRBKDZSA-N 1 3 310.398 -0.248 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001490852605 1015133438 /nfs/dbraw/zinc/13/34/38/1015133438.db2.gz MKXBYLJELLMHMF-LSDHHAIUSA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001368896126 985547102 /nfs/dbraw/zinc/54/71/02/985547102.db2.gz LCANCZXOPAYKAF-NEPJUHHUSA-N 1 3 308.426 -0.156 20 0 DBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](CNCC(=O)N1CCC1)C1CC1 ZINC001369222327 985815116 /nfs/dbraw/zinc/81/51/16/985815116.db2.gz MINMHAKMUQCERP-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@H](CNCC(=O)N1CCC1)C1CC1 ZINC001369222327 985815128 /nfs/dbraw/zinc/81/51/28/985815128.db2.gz MINMHAKMUQCERP-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](CNCC(=O)N1CCC1)C1CC1 ZINC001369222321 985816297 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DBADHO CC[C@H](C(=O)N1CCO[C@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001376849238 990349348 /nfs/dbraw/zinc/34/93/48/990349348.db2.gz YQJVCAJVQWPIBX-BFHYXJOUSA-N 1 3 317.430 -0.849 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H]1CCCN(C)C1=O ZINC001376856350 990353708 /nfs/dbraw/zinc/35/37/08/990353708.db2.gz QWVDNAJDIAEMQX-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001376952574 990398735 /nfs/dbraw/zinc/39/87/35/990398735.db2.gz DOURHXMEMAUXRY-MJBXVCDLSA-N 1 3 301.431 -0.228 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1)N(C)C ZINC001377174719 990469358 /nfs/dbraw/zinc/46/93/58/990469358.db2.gz MFCXRHRXYIJANP-DZGCQCFKSA-N 1 3 301.431 -0.492 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]CC(N)=O)CCOCC2)C1 ZINC001377203796 990483226 /nfs/dbraw/zinc/48/32/26/990483226.db2.gz ZBUFVNJUKJSPBQ-GFCCVEGCSA-N 1 3 312.414 -0.932 20 0 DBADHO C[C@@H](CCNC(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001377445020 990603178 /nfs/dbraw/zinc/60/31/78/990603178.db2.gz KKDKGBPFRPPCIQ-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO CCCN(C)CC(=O)NC1(CO)CC[NH+](C[C@@H](C)O)CC1 ZINC001377580736 990665432 /nfs/dbraw/zinc/66/54/32/990665432.db2.gz VXVWLKBYAAAULB-CYBMUJFWSA-N 1 3 301.431 -0.348 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H](O)COC)C1 ZINC001377974473 990814300 /nfs/dbraw/zinc/81/43/00/990814300.db2.gz LSHBNSOQUNEHTG-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@H](O)COC)C1 ZINC001377974473 990814305 /nfs/dbraw/zinc/81/43/05/990814305.db2.gz LSHBNSOQUNEHTG-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378167191 990873351 /nfs/dbraw/zinc/87/33/51/990873351.db2.gz SBDBCQVZMUACTJ-KGLIPLIRSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001378243395 990893570 /nfs/dbraw/zinc/89/35/70/990893570.db2.gz HTBFYBFOYZUMRK-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001378243387 990894019 /nfs/dbraw/zinc/89/40/19/990894019.db2.gz HTBFYBFOYZUMRK-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)NCC(=O)NC(N)=O ZINC001378304716 990923444 /nfs/dbraw/zinc/92/34/44/990923444.db2.gz RSGKAGSWSUYAMN-NSHDSACASA-N 1 3 313.402 -0.993 20 0 DBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001378316988 990927965 /nfs/dbraw/zinc/92/79/65/990927965.db2.gz LELNKVCWAAAXJU-GHMZBOCLSA-N 1 3 313.402 -0.993 20 0 DBADHO CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001378316988 990927970 /nfs/dbraw/zinc/92/79/70/990927970.db2.gz LELNKVCWAAAXJU-GHMZBOCLSA-N 1 3 313.402 -0.993 20 0 DBADHO CC1(C)CN(C(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CC2(CNC2)O1 ZINC001548578985 1015602981 /nfs/dbraw/zinc/60/29/81/1015602981.db2.gz OJJFEEWETGYLJS-LBPRGKRZSA-N 1 3 324.425 -0.776 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001378893203 991230315 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O=C(NC[C@@H](O)CNCc1ccccn1)[C@H]1C[NH+]2CCC1CC2 ZINC001379213891 991440167 /nfs/dbraw/zinc/44/01/67/991440167.db2.gz UXQHALAADZAPRI-HOTGVXAUSA-N 1 3 318.421 -0.010 20 0 DBADHO C[C@H](CN(C)C(=O)CC[NH+](C)C)NCC(=O)N1CCOCC1 ZINC001379222932 991448153 /nfs/dbraw/zinc/44/81/53/991448153.db2.gz NFAYDRWWYOJQHV-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)s1 ZINC001379280617 991510005 /nfs/dbraw/zinc/51/00/05/991510005.db2.gz DPDPNERFDNZPEL-VXGBXAGGSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)s1 ZINC001379280617 991510019 /nfs/dbraw/zinc/51/00/19/991510019.db2.gz DPDPNERFDNZPEL-VXGBXAGGSA-N 1 3 312.439 -0.030 20 0 DBADHO CCN(CCN[C@H](C)C(=O)NC)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379303166 991530172 /nfs/dbraw/zinc/53/01/72/991530172.db2.gz IHMDDXKNHJGIMS-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001379326518 991546050 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CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001380567362 992400690 /nfs/dbraw/zinc/40/06/90/992400690.db2.gz RNKICOMFMRCMGD-GDBMZVCRSA-N 1 3 323.441 -0.224 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCC(=O)NC3CC3)C2)C1 ZINC001380911807 992586382 /nfs/dbraw/zinc/58/63/82/992586382.db2.gz FKNPSIUKNWDPMO-GXTWGEPZSA-N 1 3 324.425 -0.966 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@H](CNCC(=O)NC3CC3)C2)C1 ZINC001380911807 992586389 /nfs/dbraw/zinc/58/63/89/992586389.db2.gz FKNPSIUKNWDPMO-GXTWGEPZSA-N 1 3 324.425 -0.966 20 0 DBADHO COC[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001380949172 992605746 /nfs/dbraw/zinc/60/57/46/992605746.db2.gz MSGMDKLPUDGZCT-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001380949172 992605754 /nfs/dbraw/zinc/60/57/54/992605754.db2.gz MSGMDKLPUDGZCT-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C1CC1 ZINC001381098233 992665286 /nfs/dbraw/zinc/66/52/86/992665286.db2.gz BRSGEGUYVZIINC-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)NC)CC1)N(C)C ZINC001381156917 992688291 /nfs/dbraw/zinc/68/82/91/992688291.db2.gz PZRVTVOWORGTFF-GFCCVEGCSA-N 1 3 314.430 -0.984 20 0 DBADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001381441617 992803054 /nfs/dbraw/zinc/80/30/54/992803054.db2.gz VHGVHXRBAYYHOG-NEPJUHHUSA-N 1 3 314.430 -0.674 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001382147151 993007574 /nfs/dbraw/zinc/00/75/74/993007574.db2.gz CFZPKGMXIYEZMA-STQMWFEESA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001382147151 993007581 /nfs/dbraw/zinc/00/75/81/993007581.db2.gz CFZPKGMXIYEZMA-STQMWFEESA-N 1 3 319.471 -0.191 20 0 DBADHO CCCN(C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001382161772 993010230 /nfs/dbraw/zinc/01/02/30/993010230.db2.gz RABKHTGOJALQLF-QWRGUYRKSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)N1CCC1 ZINC001382157541 993011108 /nfs/dbraw/zinc/01/11/08/993011108.db2.gz SYMJBECPEJBCDF-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)N1CCC1 ZINC001382157541 993011114 /nfs/dbraw/zinc/01/11/14/993011114.db2.gz SYMJBECPEJBCDF-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(C[C@@H]1CNCCO1)N[C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC001549728452 1015762224 /nfs/dbraw/zinc/76/22/24/1015762224.db2.gz QBDDNZXQBPKVDQ-IOASZLSFSA-N 1 3 324.425 -0.872 20 0 DBADHO CN1CC[C@@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1=O ZINC001382366044 993174995 /nfs/dbraw/zinc/17/49/95/993174995.db2.gz DTFTXOHYFSEEMC-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001382374447 993180942 /nfs/dbraw/zinc/18/09/42/993180942.db2.gz DCJFVBBZDKLRFT-CYBMUJFWSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cncn1C)N(C)C ZINC001382429026 993242097 /nfs/dbraw/zinc/24/20/97/993242097.db2.gz BNSVRYDLFLUHTF-ZIAGYGMSSA-N 1 3 311.430 -0.331 20 0 DBADHO C[C@H](NC[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001382435251 993249186 /nfs/dbraw/zinc/24/91/86/993249186.db2.gz BUMDHJPLWMAUKX-STQMWFEESA-N 1 3 314.430 -0.855 20 0 DBADHO COCCN(C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001382469902 993304562 /nfs/dbraw/zinc/30/45/62/993304562.db2.gz TZMMDTLYGOAKPY-CQSZACIVSA-N 1 3 301.431 -0.274 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550077813 1015786004 /nfs/dbraw/zinc/78/60/04/1015786004.db2.gz RHRKSCXXNANUDX-FMKPAKJESA-N 1 3 318.421 -0.042 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550063267 1015783948 /nfs/dbraw/zinc/78/39/48/1015783948.db2.gz LPFVHVSXLQBRPZ-YDHLFZDLSA-N 1 3 322.413 -0.333 20 0 DBADHO O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[C@H]1CN2CCN1CCC2 ZINC001550161296 1015798176 /nfs/dbraw/zinc/79/81/76/1015798176.db2.gz PMRIUZPRIOYYQR-XUWVNRHRSA-N 1 3 322.453 -0.520 20 0 DBADHO O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[C@H]1CN2CCN1CCC2 ZINC001550161296 1015798181 /nfs/dbraw/zinc/79/81/81/1015798181.db2.gz PMRIUZPRIOYYQR-XUWVNRHRSA-N 1 3 322.453 -0.520 20 0 DBADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCNC[C@H](O)C1 ZINC001550753609 1015812290 /nfs/dbraw/zinc/81/22/90/1015812290.db2.gz FEROMFZJVJODDH-STQMWFEESA-N 1 3 312.414 -0.879 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001550734701 1015812896 /nfs/dbraw/zinc/81/28/96/1015812896.db2.gz HDNPHVRBJYKPDM-IOSBVQAASA-N 1 3 308.426 -0.021 20 0 DBADHO [NH3+]CC1(c2ccccc2)CC(NS(=O)(=O)N2CCNCC2)C1 ZINC001550937343 1015815408 /nfs/dbraw/zinc/81/54/08/1015815408.db2.gz VVFYFPSZKSUYEE-UHFFFAOYSA-N 1 3 324.450 -0.215 20 0 DBADHO O=C(NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2)N1CCNC[C@H](O)C1 ZINC001551529157 1015828956 /nfs/dbraw/zinc/82/89/56/1015828956.db2.gz BCUBUEKEDGQMQA-DLOVCJGASA-N 1 3 322.331 -0.496 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)NC[C@@]12C[C@]1(C(F)(F)F)C[NH2+]C2 ZINC001551535893 1015828988 /nfs/dbraw/zinc/82/89/88/1015828988.db2.gz BATHQZABYWMPLV-DLOVCJGASA-N 1 3 322.331 -0.184 20 0 DBADHO CN(C)C[C@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CCO1 ZINC001552087023 1015838271 /nfs/dbraw/zinc/83/82/71/1015838271.db2.gz JODLZDOMXXVWSZ-RYUDHWBXSA-N 1 3 308.386 -0.785 20 0 DBADHO Cn1cc([C@H]2CN(C(=O)NC[C@H]3CCCN3C)C[C@H]2[NH3+])cn1 ZINC001552096196 1015839685 /nfs/dbraw/zinc/83/96/85/1015839685.db2.gz JBSPKCXRNPGKHH-MGPQQGTHSA-N 1 3 306.414 -0.050 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCN[C@H](C)[C@H]2C)nn1 ZINC001552164304 1015843810 /nfs/dbraw/zinc/84/38/10/1015843810.db2.gz SAWSDRLGUSSHRD-HKUMRIAESA-N 1 3 322.413 -0.811 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCN[C@@H](C)[C@@H]2C)nn1 ZINC001552164301 1015844018 /nfs/dbraw/zinc/84/40/18/1015844018.db2.gz SAWSDRLGUSSHRD-CIQGVGRVSA-N 1 3 322.413 -0.811 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552168533 1015845004 /nfs/dbraw/zinc/84/50/04/1015845004.db2.gz BQPYCGAIRYHWRV-RWMBFGLXSA-N 1 3 320.397 -0.595 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202750 1015848530 /nfs/dbraw/zinc/84/85/30/1015848530.db2.gz OCGUMPPOKXZJOL-FMKPAKJESA-N 1 3 310.442 -0.635 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1 ZINC001552202752 1015847898 /nfs/dbraw/zinc/84/78/98/1015847898.db2.gz OCGUMPPOKXZJOL-IIAWOOMASA-N 1 3 310.442 -0.635 20 0 DBADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H](F)[C@@H](N)C2)cnn1C ZINC001552216607 1015849610 /nfs/dbraw/zinc/84/96/10/1015849610.db2.gz UILONFWSARCFHH-FQUUOJAGSA-N 1 3 309.389 -0.071 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@]12C[NH2+]C[C@@H]1COC2 ZINC001552217745 1015849662 /nfs/dbraw/zinc/84/96/62/1015849662.db2.gz IFTZGTZCYFSQLG-XNRPHZJLSA-N 1 3 309.410 -0.408 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@@H]2C2CC[NH2+]CC2)n1 ZINC001552217024 1015849953 /nfs/dbraw/zinc/84/99/53/1015849953.db2.gz ZHSWSPZSXVOMND-NEPJUHHUSA-N 1 3 305.382 -0.107 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)[C@@H]2CCN(C)C2)nn1 ZINC001552257196 1015851379 /nfs/dbraw/zinc/85/13/79/1015851379.db2.gz JOVKLNWDWVEMJZ-YRGRVCCFSA-N 1 3 322.413 -0.858 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001401149827 994455922 /nfs/dbraw/zinc/45/59/22/994455922.db2.gz WMAWDFRFZWWXEL-JQWIXIFHSA-N 1 3 307.398 -0.119 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001385401671 994483606 /nfs/dbraw/zinc/48/36/06/994483606.db2.gz HIJDIOMQUGFIQR-CYBMUJFWSA-N 1 3 307.398 -0.037 20 0 DBADHO C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CNCC(N)=O ZINC001401318101 994519624 /nfs/dbraw/zinc/51/96/24/994519624.db2.gz YVDCEEAWTVTCCO-QWHCGFSZSA-N 1 3 308.426 -0.216 20 0 DBADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001401494501 994594998 /nfs/dbraw/zinc/59/49/98/994594998.db2.gz BJSCZXHOZZHXCK-STQMWFEESA-N 1 3 322.413 -0.978 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001401545232 994630297 /nfs/dbraw/zinc/63/02/97/994630297.db2.gz SDFWXJLTKOOAIN-CABCVRRESA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1cnn(C)c1 ZINC001401545232 994630304 /nfs/dbraw/zinc/63/03/04/994630304.db2.gz SDFWXJLTKOOAIN-CABCVRRESA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001401545256 994630525 /nfs/dbraw/zinc/63/05/25/994630525.db2.gz SDFWXJLTKOOAIN-LSDHHAIUSA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001401545256 994630532 /nfs/dbraw/zinc/63/05/32/994630532.db2.gz SDFWXJLTKOOAIN-LSDHHAIUSA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001401545243 994631306 /nfs/dbraw/zinc/63/13/06/994631306.db2.gz SDFWXJLTKOOAIN-GJZGRUSLSA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001401545243 994631311 /nfs/dbraw/zinc/63/13/11/994631311.db2.gz SDFWXJLTKOOAIN-GJZGRUSLSA-N 1 3 323.441 -0.139 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001493250875 1015877919 /nfs/dbraw/zinc/87/79/19/1015877919.db2.gz AHFDNFLBOQPLAW-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CCN([C@@H]2CCN(C)C2=O)C1 ZINC001493250875 1015877920 /nfs/dbraw/zinc/87/79/20/1015877920.db2.gz AHFDNFLBOQPLAW-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO Cc1ncsc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001401569913 994664529 /nfs/dbraw/zinc/66/45/29/994664529.db2.gz BELZKFKRCKRRFR-NEPJUHHUSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1ncsc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001401569913 994664534 /nfs/dbraw/zinc/66/45/34/994664534.db2.gz BELZKFKRCKRRFR-NEPJUHHUSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1ncsc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401569931 994664963 /nfs/dbraw/zinc/66/49/63/994664963.db2.gz BELZKFKRCKRRFR-RYUDHWBXSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1ncsc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001401569931 994664974 /nfs/dbraw/zinc/66/49/74/994664974.db2.gz BELZKFKRCKRRFR-RYUDHWBXSA-N 1 3 312.439 -0.030 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCCCO1 ZINC001401572658 994668127 /nfs/dbraw/zinc/66/81/27/994668127.db2.gz VRQXPNLZMVHHLK-STQMWFEESA-N 1 3 310.398 -0.104 20 0 DBADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001401606569 994695668 /nfs/dbraw/zinc/69/56/68/994695668.db2.gz FIOZJURXAWEZOZ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@H]1CCN(CC)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001401606569 994695675 /nfs/dbraw/zinc/69/56/75/994695675.db2.gz FIOZJURXAWEZOZ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401610817 994698794 /nfs/dbraw/zinc/69/87/94/994698794.db2.gz SEPJJCSMJNOWMO-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401610817 994698798 /nfs/dbraw/zinc/69/87/98/994698798.db2.gz SEPJJCSMJNOWMO-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CN[C@H]1CCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001401652918 994730308 /nfs/dbraw/zinc/73/03/08/994730308.db2.gz DZUZJEDCZXLSDC-YPMHNXCESA-N 1 3 312.414 -0.920 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001386064852 994732141 /nfs/dbraw/zinc/73/21/41/994732141.db2.gz LGOHTLAGQXDBPU-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001386064852 994732154 /nfs/dbraw/zinc/73/21/54/994732154.db2.gz LGOHTLAGQXDBPU-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)c1ccc2c(c1)CNCCO2 ZINC001553355048 1015885186 /nfs/dbraw/zinc/88/51/86/1015885186.db2.gz RFULUBCGWKBXIO-UHFFFAOYSA-N 1 3 304.394 -0.196 20 0 DBADHO CN(CCN1CC[NH2+]CC1)C(=O)c1cnc([C@@H]2CCCN2)nc1 ZINC001553354959 1015886027 /nfs/dbraw/zinc/88/60/27/1015886027.db2.gz VJIOWIFTHQFJPP-AWEZNQCLSA-N 1 3 318.425 -0.122 20 0 DBADHO C[C@@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001401680465 994751051 /nfs/dbraw/zinc/75/10/51/994751051.db2.gz MBLDONCKRRFFRY-NWDGAFQWSA-N 1 3 322.413 -0.959 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)COC ZINC001401719932 994780807 /nfs/dbraw/zinc/78/08/07/994780807.db2.gz BOWHMFPYYWHKEH-MJBXVCDLSA-N 1 3 301.431 -0.038 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1 ZINC001553423809 1015891929 /nfs/dbraw/zinc/89/19/29/1015891929.db2.gz OAEOXGQNEAXNSU-CBBWQLFWSA-N 1 3 309.410 -0.125 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401866933 994832851 /nfs/dbraw/zinc/83/28/51/994832851.db2.gz MHVUNFKSBSNSCG-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401866933 994832855 /nfs/dbraw/zinc/83/28/55/994832855.db2.gz MHVUNFKSBSNSCG-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401865816 994833374 /nfs/dbraw/zinc/83/33/74/994833374.db2.gz MHVUNFKSBSNSCG-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401865816 994833382 /nfs/dbraw/zinc/83/33/82/994833382.db2.gz MHVUNFKSBSNSCG-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(N[C@@H]1C[NH2+]C[C@@H]1F)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553548609 1015900235 /nfs/dbraw/zinc/90/02/35/1015900235.db2.gz ZQMUWOSHJDQMQE-RNJOBUHISA-N 1 3 300.378 -0.463 20 0 DBADHO CN(C)C1(C(=O)NCC2([NH2+]CC(N)=O)CCOCC2)CCC1 ZINC001402221356 994988981 /nfs/dbraw/zinc/98/89/81/994988981.db2.gz GTIQRXUFYKDGEZ-UHFFFAOYSA-N 1 3 312.414 -0.789 20 0 DBADHO CCCNC(=O)CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001402462710 995153275 /nfs/dbraw/zinc/15/32/75/995153275.db2.gz MSFOHNPUYMGVPZ-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)N(C)C ZINC001402511777 995170527 /nfs/dbraw/zinc/17/05/27/995170527.db2.gz JTEGLNNKZCSWLO-ZQDZILKHSA-N 1 3 323.441 -0.179 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001402569684 995192999 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DBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)[C@@H](C)C1 ZINC001402779815 995281342 /nfs/dbraw/zinc/28/13/42/995281342.db2.gz GYQJVDADURZHRJ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCC(=O)N2CCC2)[C@@H](C)C1 ZINC001402779815 995281350 /nfs/dbraw/zinc/28/13/50/995281350.db2.gz GYQJVDADURZHRJ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001402892570 995326028 /nfs/dbraw/zinc/32/60/28/995326028.db2.gz XDXNPRRYMSDNJA-OCCSQVGLSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001403228259 995460930 /nfs/dbraw/zinc/46/09/30/995460930.db2.gz IIIVALCQHGTWPX-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]([NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001403254565 995469517 /nfs/dbraw/zinc/46/95/17/995469517.db2.gz HMIFUZPHYQTMCB-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CCO)CC2(C)C)CC1 ZINC001403380841 995502041 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CC[N@@H+](C)CCC(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001390139171 996191384 /nfs/dbraw/zinc/19/13/84/996191384.db2.gz ZIDHSQWEXGEPNK-UHFFFAOYSA-N 1 3 307.398 -0.037 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001390512871 996284376 /nfs/dbraw/zinc/28/43/76/996284376.db2.gz YNCKKWPTJPMQPN-QWHCGFSZSA-N 1 3 313.446 -0.308 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001390552729 996300492 /nfs/dbraw/zinc/30/04/92/996300492.db2.gz KUOCKEZXOOPZIL-MELADBBJSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N2CC[C@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001390552729 996300499 /nfs/dbraw/zinc/30/04/99/996300499.db2.gz KUOCKEZXOOPZIL-MELADBBJSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001390583606 996311003 /nfs/dbraw/zinc/31/10/03/996311003.db2.gz IUWGFLAQODODBQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)CN(C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001390756246 996359925 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CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)Cc1c[nH]cn1 ZINC001493709400 1016045679 /nfs/dbraw/zinc/04/56/79/1016045679.db2.gz QKKYEPNKHMZGGS-LLVKDONJSA-N 1 3 314.411 -0.565 20 0 DBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NC1CC1 ZINC001391745224 996622602 /nfs/dbraw/zinc/62/26/02/996622602.db2.gz VIKVMNFASJPYJX-GFCCVEGCSA-N 1 3 308.426 -0.155 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001493764462 1016058441 /nfs/dbraw/zinc/05/84/41/1016058441.db2.gz VSVDBMUOLWXDER-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001392122410 996735378 /nfs/dbraw/zinc/73/53/78/996735378.db2.gz TZBGIOFVENQMHU-GHMZBOCLSA-N 1 3 315.418 -0.652 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001392122410 996735382 /nfs/dbraw/zinc/73/53/82/996735382.db2.gz TZBGIOFVENQMHU-GHMZBOCLSA-N 1 3 315.418 -0.652 20 0 DBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001404461730 996787879 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CC[C@@H](NC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1)C(N)=O ZINC001393589193 997753396 /nfs/dbraw/zinc/75/33/96/997753396.db2.gz RJSQZAJKYAGYRU-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[C@@H](NC[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1)C(N)=O ZINC001393589193 997753409 /nfs/dbraw/zinc/75/34/09/997753409.db2.gz RJSQZAJKYAGYRU-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001406463361 997776831 /nfs/dbraw/zinc/77/68/31/997776831.db2.gz GDWJEJKSIVTEQN-NWDGAFQWSA-N 1 3 324.429 -0.713 20 0 DBADHO C[C@@H](CNCC(=O)N(C)C)NC(=O)COC1CC[NH+](C)CC1 ZINC001406540207 997811639 /nfs/dbraw/zinc/81/16/39/997811639.db2.gz KBXFOIIKCITUEO-LBPRGKRZSA-N 1 3 314.430 -0.720 20 0 DBADHO COC[C@H](O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001393735056 997822832 /nfs/dbraw/zinc/82/28/32/997822832.db2.gz UUDWUMDDTVYLOT-CYBMUJFWSA-N 1 3 310.398 -0.070 20 0 DBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001393808008 997853256 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/nfs/dbraw/zinc/25/17/75/1000251775.db2.gz OAHYJNKLKSUXTQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001408633450 1000251782 /nfs/dbraw/zinc/25/17/82/1000251782.db2.gz OAHYJNKLKSUXTQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](C(N)=O)N1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001420893186 1000284926 /nfs/dbraw/zinc/28/49/26/1000284926.db2.gz PLPYZDYUTWJBND-STQMWFEESA-N 1 3 308.426 -0.216 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001409082532 1000356502 /nfs/dbraw/zinc/35/65/02/1000356502.db2.gz AYZONQQSLXOUIW-CYBMUJFWSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001409098555 1000363026 /nfs/dbraw/zinc/36/30/26/1000363026.db2.gz BKZVKZDFOQHIQM-CYBMUJFWSA-N 1 3 322.453 -0.003 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001421136193 1000380240 /nfs/dbraw/zinc/38/02/40/1000380240.db2.gz IXPDZKAHDFYKOX-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001421136193 1000380242 /nfs/dbraw/zinc/38/02/42/1000380242.db2.gz IXPDZKAHDFYKOX-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@H](C)O)CCOCC1 ZINC001421331992 1000444899 /nfs/dbraw/zinc/44/48/99/1000444899.db2.gz VLIUMYWQSVMXAE-ZDUSSCGKSA-N 1 3 301.431 -0.036 20 0 DBADHO CCCN(C)CC(=O)NCC1([NH2+]C[C@@H](C)O)CCOCC1 ZINC001421331991 1000445455 /nfs/dbraw/zinc/44/54/55/1000445455.db2.gz VLIUMYWQSVMXAE-CYBMUJFWSA-N 1 3 301.431 -0.036 20 0 DBADHO COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)C2(N(C)C)CCC2)C1 ZINC001409903271 1000547959 /nfs/dbraw/zinc/54/79/59/1000547959.db2.gz FLZMDDMQINDAPV-GXTWGEPZSA-N 1 3 313.442 -0.086 20 0 DBADHO CNC(=O)NC(=O)CNC1(CNC(=O)CC[NH+](C)C)CCC1 ZINC001421773098 1000617496 /nfs/dbraw/zinc/61/74/96/1000617496.db2.gz WLLJGLRTGSJDMK-UHFFFAOYSA-N 1 3 313.402 -0.978 20 0 DBADHO CC(C)N(C)CC(=O)NC1(C[NH2+]C[C@H](C)O)CCOCC1 ZINC001422008153 1000696853 /nfs/dbraw/zinc/69/68/53/1000696853.db2.gz GNHIQBBXUDQEFR-ZDUSSCGKSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421940898 1000675030 /nfs/dbraw/zinc/67/50/30/1000675030.db2.gz UMOYQRBCNRYBIH-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001422041517 1000705360 /nfs/dbraw/zinc/70/53/60/1000705360.db2.gz CISQHGVBOYJOPK-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001422044843 1000707165 /nfs/dbraw/zinc/70/71/65/1000707165.db2.gz IQLIGUOTXFGXJA-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410579638 1000814915 /nfs/dbraw/zinc/81/49/15/1000814915.db2.gz ITBADYXJENXBSM-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410579638 1000814917 /nfs/dbraw/zinc/81/49/17/1000814917.db2.gz ITBADYXJENXBSM-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(NC[C@H](CO)[NH2+]CCF)c1ccn(-c2ccncc2)n1 ZINC001410713689 1000871761 /nfs/dbraw/zinc/87/17/61/1000871761.db2.gz ZBIQXZNATIJRQG-LLVKDONJSA-N 1 3 307.329 -0.083 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001410788904 1000907467 /nfs/dbraw/zinc/90/74/67/1000907467.db2.gz ORDTWNQPEJUNKV-ZIAGYGMSSA-N 1 3 301.431 -0.180 20 0 DBADHO CN(C[C@@H](O)CNCC(N)=O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001411066375 1001011626 /nfs/dbraw/zinc/01/16/26/1001011626.db2.gz NKHXKSNGFBTXQP-LBPRGKRZSA-N 1 3 314.430 -0.855 20 0 DBADHO CN(C[C@H](O)CNCC(N)=O)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001411066358 1001012320 /nfs/dbraw/zinc/01/23/20/1001012320.db2.gz NKHXKSNGFBTXQP-GFCCVEGCSA-N 1 3 314.430 -0.855 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)N(C)C ZINC001422828271 1001026169 /nfs/dbraw/zinc/02/61/69/1001026169.db2.gz OKLWRKXVOVAKQA-XQLPTFJDSA-N 1 3 320.441 -0.088 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)N(C)C ZINC001422828271 1001026180 /nfs/dbraw/zinc/02/61/80/1001026180.db2.gz OKLWRKXVOVAKQA-XQLPTFJDSA-N 1 3 320.441 -0.088 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(=O)NC)C1 ZINC001422848358 1001033887 /nfs/dbraw/zinc/03/38/87/1001033887.db2.gz FTEPUEVBUJACIX-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](O)CN(C)CCO)C1 ZINC001411177677 1001061422 /nfs/dbraw/zinc/06/14/22/1001061422.db2.gz FJLUKGGVSANHES-HUUCEWRRSA-N 1 3 315.458 -0.148 20 0 DBADHO CCC[N@H+]1CCC[C@@H](C(=O)N(C)C[C@H](O)CN(C)CCO)C1 ZINC001411177677 1001061427 /nfs/dbraw/zinc/06/14/27/1001061427.db2.gz FJLUKGGVSANHES-HUUCEWRRSA-N 1 3 315.458 -0.148 20 0 DBADHO COCCN(CCNC(=O)C1CC[NH+](C)CC1)C[C@@H](C)O ZINC001411225757 1001080634 /nfs/dbraw/zinc/08/06/34/1001080634.db2.gz PSMQKPCKTHHGGE-CYBMUJFWSA-N 1 3 301.431 -0.226 20 0 DBADHO C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCCS(C)(=O)=O ZINC001423109285 1001121862 /nfs/dbraw/zinc/12/18/62/1001121862.db2.gz OIMIVMFIFKACJW-GFCCVEGCSA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCCS(C)(=O)=O ZINC001423109289 1001121058 /nfs/dbraw/zinc/12/10/58/1001121058.db2.gz OIMIVMFIFKACJW-LBPRGKRZSA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@@H]1C[C@@H](NCC(=O)N(C)C)CN1C(=O)C1CC[NH+](C)CC1 ZINC001423363686 1001269222 /nfs/dbraw/zinc/26/92/22/1001269222.db2.gz VZLZBUKLVMTVPM-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001423396396 1001278900 /nfs/dbraw/zinc/27/89/00/1001278900.db2.gz AVYHXEAMDOGZHQ-QWHCGFSZSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001423396396 1001278904 /nfs/dbraw/zinc/27/89/04/1001278904.db2.gz AVYHXEAMDOGZHQ-QWHCGFSZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@@H](NCCS(C)(=O)=O)C(C)(C)C1 ZINC001423407263 1001285417 /nfs/dbraw/zinc/28/54/17/1001285417.db2.gz WUUGZJHCTXLSSQ-GFCCVEGCSA-N 1 3 319.471 -0.191 20 0 DBADHO CN(CCO)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001423500412 1001346380 /nfs/dbraw/zinc/34/63/80/1001346380.db2.gz AKIQUAJPRLDBAC-KBPBESRZSA-N 1 3 301.431 -0.396 20 0 DBADHO CN(CCO)C[C@H](O)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001423500412 1001346387 /nfs/dbraw/zinc/34/63/87/1001346387.db2.gz AKIQUAJPRLDBAC-KBPBESRZSA-N 1 3 301.431 -0.396 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]C[C@@H]2CCOC2)CCC1 ZINC001423460482 1001320303 /nfs/dbraw/zinc/32/03/03/1001320303.db2.gz JHYKHHGMCQQHIM-KBPBESRZSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C[C@H](O)C[NH2+]Cc1cncn1C)C(=O)CN(C)C1CCC1 ZINC001423466641 1001322921 /nfs/dbraw/zinc/32/29/21/1001322921.db2.gz PDQIFPSQOKTHLW-OAHLLOKOSA-N 1 3 323.441 -0.187 20 0 DBADHO C[C@H](O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423509671 1001354714 /nfs/dbraw/zinc/35/47/14/1001354714.db2.gz YLFJGQYAIRGAGI-GXTWGEPZSA-N 1 3 301.431 -0.397 20 0 DBADHO C[C@H](O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423509671 1001354721 /nfs/dbraw/zinc/35/47/21/1001354721.db2.gz YLFJGQYAIRGAGI-GXTWGEPZSA-N 1 3 301.431 -0.397 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCCN(CCCO)C2)C1 ZINC001424027539 1001549139 /nfs/dbraw/zinc/54/91/39/1001549139.db2.gz UIAUYYKATKXWFD-GDBMZVCRSA-N 1 3 313.442 -0.346 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N[C@]2(CO)CCCN(CCCO)C2)C1 ZINC001424027539 1001549141 /nfs/dbraw/zinc/54/91/41/1001549141.db2.gz UIAUYYKATKXWFD-GDBMZVCRSA-N 1 3 313.442 -0.346 20 0 DBADHO CNC(=O)CNC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCC1 ZINC001424180692 1001589907 /nfs/dbraw/zinc/58/99/07/1001589907.db2.gz SZBNUJIEUNHBMS-CYBMUJFWSA-N 1 3 308.426 -0.297 20 0 DBADHO COC[C@H](O)CN1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001425304669 1001906295 /nfs/dbraw/zinc/90/62/95/1001906295.db2.gz JPZBTNDONXACEB-CHWSQXEVSA-N 1 3 301.431 -0.228 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001425493802 1002128712 /nfs/dbraw/zinc/12/87/12/1002128712.db2.gz MMSHIVSYAONQPZ-CQSZACIVSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CN[C@H](C)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001425569207 1002198303 /nfs/dbraw/zinc/19/83/03/1002198303.db2.gz ZAMGBRGNSIQNSG-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@]23CCN(C2)CCC3)CC1=O ZINC001434312173 1002371338 /nfs/dbraw/zinc/37/13/38/1002371338.db2.gz ZIQJDPXYWSNIBC-BBRMVZONSA-N 1 3 308.426 -0.249 20 0 DBADHO CC(C)N1CC[NH+](CCCC(=O)N2CC(NC3COC3)C2)CC1 ZINC001434400156 1002448251 /nfs/dbraw/zinc/44/82/51/1002448251.db2.gz RLMKREGUAUYJNR-UHFFFAOYSA-N 1 3 324.469 -0.008 20 0 DBADHO CCN1CCN(C2CN(S(=O)(=O)CCC[NH+](C)C)C2)CC1 ZINC001434642699 1002561645 /nfs/dbraw/zinc/56/16/45/1002561645.db2.gz JJUKFTLADHYEJX-UHFFFAOYSA-N 1 3 318.487 -0.410 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001425995864 1002608449 /nfs/dbraw/zinc/60/84/49/1002608449.db2.gz BFEZWSCEFJLXHV-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(=O)NC ZINC001425995864 1002608453 /nfs/dbraw/zinc/60/84/53/1002608453.db2.gz BFEZWSCEFJLXHV-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO Cc1ncc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001426039282 1002636427 /nfs/dbraw/zinc/63/64/27/1002636427.db2.gz ODUVWPOQKIDUDW-CABCVRRESA-N 1 3 321.425 -0.354 20 0 DBADHO Cc1ncc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001426039282 1002636434 /nfs/dbraw/zinc/63/64/34/1002636434.db2.gz ODUVWPOQKIDUDW-CABCVRRESA-N 1 3 321.425 -0.354 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001436364289 1002688779 /nfs/dbraw/zinc/68/87/79/1002688779.db2.gz JCINPZULOVDEIO-RQJABVFESA-N 1 3 310.442 -0.055 20 0 DBADHO CC[C@H](C(=O)NCCN(C)C(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001415531807 1002873452 /nfs/dbraw/zinc/87/34/52/1002873452.db2.gz CUTGZHUIUMLPGD-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCO[C@@H](C)C1 ZINC001437199998 1002881829 /nfs/dbraw/zinc/88/18/29/1002881829.db2.gz KIZVNFWBMDXYRV-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001415669945 1002946777 /nfs/dbraw/zinc/94/67/77/1002946777.db2.gz PKAONWNWQYBFPR-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001415669945 1002946812 /nfs/dbraw/zinc/94/68/12/1002946812.db2.gz PKAONWNWQYBFPR-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001427374564 1003095689 /nfs/dbraw/zinc/09/56/89/1003095689.db2.gz PKNXRRALGQOYJX-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001427374564 1003095705 /nfs/dbraw/zinc/09/57/05/1003095705.db2.gz PKNXRRALGQOYJX-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN1CC[C@H](N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001437721910 1003169033 /nfs/dbraw/zinc/16/90/33/1003169033.db2.gz LPHDAALRIAERLB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](CNC(=O)C1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001438322287 1003418867 /nfs/dbraw/zinc/41/88/67/1003418867.db2.gz AHMCZUXHJZPOMT-CYBMUJFWSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H](CNCC(=O)N1CCOCC1)N(C)C(=O)CC[NH+](C)C ZINC001438677690 1003592028 /nfs/dbraw/zinc/59/20/28/1003592028.db2.gz WLTOSVCGYXHBCC-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO CNC(=O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001438822263 1003675955 /nfs/dbraw/zinc/67/59/55/1003675955.db2.gz DNHSUIQDCLBBSD-RYUDHWBXSA-N 1 3 307.398 -0.085 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001438992033 1003822717 /nfs/dbraw/zinc/82/27/17/1003822717.db2.gz JBECUHIWTDUDIQ-GJZGRUSLSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001438992033 1003822718 /nfs/dbraw/zinc/82/27/18/1003822718.db2.gz JBECUHIWTDUDIQ-GJZGRUSLSA-N 1 3 323.441 -0.140 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001438999546 1003825808 /nfs/dbraw/zinc/82/58/08/1003825808.db2.gz KZENKLLQNGBZEQ-UONOGXRCSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001439017873 1003835024 /nfs/dbraw/zinc/83/50/24/1003835024.db2.gz RNXFAAMVQAMCFQ-QEJZJMRPSA-N 1 3 323.441 -0.283 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2cnn(C)c2)CC[N@H+]1C ZINC001439017873 1003835025 /nfs/dbraw/zinc/83/50/25/1003835025.db2.gz RNXFAAMVQAMCFQ-QEJZJMRPSA-N 1 3 323.441 -0.283 20 0 DBADHO Cc1nc([C@H](C)NC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001439048290 1003852414 /nfs/dbraw/zinc/85/24/14/1003852414.db2.gz OUONEMPGILMWTP-JQWIXIFHSA-N 1 3 322.413 -0.663 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001439050518 1003854314 /nfs/dbraw/zinc/85/43/14/1003854314.db2.gz VTNBOHMOSCLMCJ-CQSZACIVSA-N 1 3 321.425 -0.609 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)CCC[NH+]1CCCC1 ZINC001439183201 1003880410 /nfs/dbraw/zinc/88/04/10/1003880410.db2.gz ZKGNSULTIKDOOT-LLVKDONJSA-N 1 3 313.402 -0.848 20 0 DBADHO C[C@H](CNCC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439179766 1003880481 /nfs/dbraw/zinc/88/04/81/1003880481.db2.gz XEZIBDVGNZGSSE-NXEZZACHSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@H](CNCC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001439179766 1003880484 /nfs/dbraw/zinc/88/04/84/1003880484.db2.gz XEZIBDVGNZGSSE-NXEZZACHSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N[C@@H](C)C[NH2+]Cc1ccn(C)n1 ZINC001439282756 1003894810 /nfs/dbraw/zinc/89/48/10/1003894810.db2.gz MTXOGXHTIGLHLF-KGLIPLIRSA-N 1 3 323.441 -0.017 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)C2(N(C)C)CCC2)C1 ZINC001417786993 1004036540 /nfs/dbraw/zinc/03/65/40/1004036540.db2.gz PINVVQMAYAOTKS-IHRRRGAJSA-N 1 3 313.442 -0.038 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146383 1016852666 /nfs/dbraw/zinc/85/26/66/1016852666.db2.gz ZNXOLWKKBLTCCE-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001439764507 1004110799 /nfs/dbraw/zinc/11/07/99/1004110799.db2.gz FKSWZBAWABCZPO-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@H]2C[C@H](NCCS(C)(=O)=O)C2)CC1 ZINC001418063848 1004189506 /nfs/dbraw/zinc/18/95/06/1004189506.db2.gz HEYFAEKKTMWYSA-JOCQHMNTSA-N 1 3 317.455 -0.390 20 0 DBADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001440149929 1004270958 /nfs/dbraw/zinc/27/09/58/1004270958.db2.gz LLNWOCWYFFCNMB-HZSPNIEDSA-N 1 3 310.442 -0.019 20 0 DBADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001440149929 1004270968 /nfs/dbraw/zinc/27/09/68/1004270968.db2.gz LLNWOCWYFFCNMB-HZSPNIEDSA-N 1 3 310.442 -0.019 20 0 DBADHO CNC(=O)[C@@H](C)N[C@H](C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001418226555 1004276201 /nfs/dbraw/zinc/27/62/01/1004276201.db2.gz LLOWHZSKKFDAKO-VXGBXAGGSA-N 1 3 324.429 -0.713 20 0 DBADHO C[C@H](CN[C@H](C)C(=O)N(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496207484 1016864590 /nfs/dbraw/zinc/86/45/90/1016864590.db2.gz QCJPMVMTHZLQFK-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001496209718 1016865424 /nfs/dbraw/zinc/86/54/24/1016865424.db2.gz LHDAAKVLPVTIKY-QWRGUYRKSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NC(N)=O ZINC001418278684 1004312706 /nfs/dbraw/zinc/31/27/06/1004312706.db2.gz ADQISANSGUEBMI-JTQLQIEISA-N 1 3 313.402 -0.993 20 0 DBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)NCC(=O)NC(N)=O ZINC001418278688 1004314141 /nfs/dbraw/zinc/31/41/41/1004314141.db2.gz ADQISANSGUEBMI-SNVBAGLBSA-N 1 3 313.402 -0.993 20 0 DBADHO CC(C)N(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001496251808 1016876983 /nfs/dbraw/zinc/87/69/83/1016876983.db2.gz WIYVDZAAASONHU-RYUDHWBXSA-N 1 3 312.414 -0.432 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](N(CCO)CCO)C2)CC1 ZINC001418783516 1004641420 /nfs/dbraw/zinc/64/14/20/1004641420.db2.gz UGQUXHUFJOMEKT-AWEZNQCLSA-N 1 3 313.442 -0.394 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N(C)CC[NH2+][C@H]1CCN(C)C1=O ZINC001418810802 1004659584 /nfs/dbraw/zinc/65/95/84/1004659584.db2.gz PDMDMSQZJBLCSX-OLZOCXBDSA-N 1 3 316.421 -0.055 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1=O ZINC001418818074 1004668865 /nfs/dbraw/zinc/66/88/65/1004668865.db2.gz VGQYTGUWWSOFEF-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001418818074 1004668871 /nfs/dbraw/zinc/66/88/71/1004668871.db2.gz VGQYTGUWWSOFEF-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001418834438 1004683748 /nfs/dbraw/zinc/68/37/48/1004683748.db2.gz WLPXRLDBOQWFMH-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001418834438 1004683756 /nfs/dbraw/zinc/68/37/56/1004683756.db2.gz WLPXRLDBOQWFMH-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001418952892 1004729527 /nfs/dbraw/zinc/72/95/27/1004729527.db2.gz JAYLVKGJLXBRHE-KBUPBQIOSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001418952892 1004729531 /nfs/dbraw/zinc/72/95/31/1004729531.db2.gz JAYLVKGJLXBRHE-KBUPBQIOSA-N 1 3 313.442 -0.086 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001419382925 1004865804 /nfs/dbraw/zinc/86/58/04/1004865804.db2.gz ILFAEMVJLGAFKU-NEPJUHHUSA-N 1 3 303.428 -0.827 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001419382925 1004865808 /nfs/dbraw/zinc/86/58/08/1004865808.db2.gz ILFAEMVJLGAFKU-NEPJUHHUSA-N 1 3 303.428 -0.827 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3ccon3)C2)C1 ZINC001419510319 1004890951 /nfs/dbraw/zinc/89/09/51/1004890951.db2.gz VAZBDWXGJJWBPD-SDDRHHMPSA-N 1 3 321.381 -0.198 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@@H](NCC(=O)Nc3ccon3)C2)C1 ZINC001419510319 1004890953 /nfs/dbraw/zinc/89/09/53/1004890953.db2.gz VAZBDWXGJJWBPD-SDDRHHMPSA-N 1 3 321.381 -0.198 20 0 DBADHO CCN(C)C(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001419735145 1004960200 /nfs/dbraw/zinc/96/02/00/1004960200.db2.gz DESLUPFUHIAYBP-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)NCCS(C)(=O)=O ZINC001419845538 1004998107 /nfs/dbraw/zinc/99/81/07/1004998107.db2.gz XMFUQQVCJMZLIX-AGIUHOORSA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)NCCS(C)(=O)=O ZINC001419845538 1004998111 /nfs/dbraw/zinc/99/81/11/1004998111.db2.gz XMFUQQVCJMZLIX-AGIUHOORSA-N 1 3 319.471 -0.144 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001420146628 1005120879 /nfs/dbraw/zinc/12/08/79/1005120879.db2.gz ABRJBKMCJHVVNX-LLVKDONJSA-N 1 3 310.402 -0.978 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)CCNC(=O)CN(C)C(C)C ZINC001420161862 1005128054 /nfs/dbraw/zinc/12/80/54/1005128054.db2.gz DORQLDLDVYIFSH-LLVKDONJSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCc2cncn2C)CC[N@@H+]1C ZINC001420162385 1005128306 /nfs/dbraw/zinc/12/83/06/1005128306.db2.gz ZEIPSOZTWKBRBK-KCQAQPDRSA-N 1 3 323.441 -0.283 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@H](O)CNCc2cncn2C)CC[N@H+]1C ZINC001420162385 1005128312 /nfs/dbraw/zinc/12/83/12/1005128312.db2.gz ZEIPSOZTWKBRBK-KCQAQPDRSA-N 1 3 323.441 -0.283 20 0 DBADHO CN1CCC[C@H](NC[C@@H](O)CNC(=O)CCC[NH+](C)C)C1=O ZINC001420161885 1005128328 /nfs/dbraw/zinc/12/83/28/1005128328.db2.gz YEDLJNFXRJGASH-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2cnn(C)c2)C1 ZINC001420168421 1005130206 /nfs/dbraw/zinc/13/02/06/1005130206.db2.gz CMFHDZFTJFPTKH-GXTWGEPZSA-N 1 3 309.414 -0.671 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2ccccn2)C1 ZINC001420185128 1005140384 /nfs/dbraw/zinc/14/03/84/1005140384.db2.gz CIHCVIOTVPPEJB-ZFWWWQNUSA-N 1 3 306.410 -0.010 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2ccccn2)C1 ZINC001420185128 1005140388 /nfs/dbraw/zinc/14/03/88/1005140388.db2.gz CIHCVIOTVPPEJB-ZFWWWQNUSA-N 1 3 306.410 -0.010 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001420364553 1005232190 /nfs/dbraw/zinc/23/21/90/1005232190.db2.gz IBFLDYTYVNNBRF-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420507395 1005284682 /nfs/dbraw/zinc/28/46/82/1005284682.db2.gz MHRJTYPSABFJIE-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420507395 1005284688 /nfs/dbraw/zinc/28/46/88/1005284688.db2.gz MHRJTYPSABFJIE-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCC2(NCCS(C)(=O)=O)CCC2)C1 ZINC001440352294 1006070885 /nfs/dbraw/zinc/07/08/85/1006070885.db2.gz KWAGICMLHIPPIR-LBPRGKRZSA-N 1 3 317.455 -0.389 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCC2(NCCS(C)(=O)=O)CCC2)C1 ZINC001440352294 1006070898 /nfs/dbraw/zinc/07/08/98/1006070898.db2.gz KWAGICMLHIPPIR-LBPRGKRZSA-N 1 3 317.455 -0.389 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001440363605 1006077462 /nfs/dbraw/zinc/07/74/62/1006077462.db2.gz JCINPZULOVDEIO-SYQHCUMBSA-N 1 3 310.442 -0.055 20 0 DBADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001440480516 1006151877 /nfs/dbraw/zinc/15/18/77/1006151877.db2.gz LENYQAQQYDGHRX-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001440480516 1006151908 /nfs/dbraw/zinc/15/19/08/1006151908.db2.gz LENYQAQQYDGHRX-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001440481648 1006154270 /nfs/dbraw/zinc/15/42/70/1006154270.db2.gz LENYQAQQYDGHRX-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCN(C)[C@@H]1CCCNC1=O)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001440481648 1006154281 /nfs/dbraw/zinc/15/42/81/1006154281.db2.gz LENYQAQQYDGHRX-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@](CO)([NH2+]C[C@H](C)O)C1 ZINC001440557199 1006196530 /nfs/dbraw/zinc/19/65/30/1006196530.db2.gz QXXMNPIEIYHKLK-DZGCQCFKSA-N 1 3 301.431 -0.348 20 0 DBADHO C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H](C)NCC(N)=O ZINC001440848081 1006330648 /nfs/dbraw/zinc/33/06/48/1006330648.db2.gz WMOJHYHEDFKWGR-WDEREUQCSA-N 1 3 310.402 -0.974 20 0 DBADHO CCNC(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001441256989 1006541988 /nfs/dbraw/zinc/54/19/88/1006541988.db2.gz NEHFSERLGWHNGF-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001441256989 1006542002 /nfs/dbraw/zinc/54/20/02/1006542002.db2.gz NEHFSERLGWHNGF-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)NC1CC1 ZINC001441271167 1006554603 /nfs/dbraw/zinc/55/46/03/1006554603.db2.gz SLIUEZSJNHCSRF-CQSZACIVSA-N 1 3 320.437 -0.155 20 0 DBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001441332830 1006592134 /nfs/dbraw/zinc/59/21/34/1006592134.db2.gz BLZRIKZAOBDKAR-KBPBESRZSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)CC[N@@H+]1C ZINC001441486918 1006681431 /nfs/dbraw/zinc/68/14/31/1006681431.db2.gz OYJNLDJOAQOLPY-FVCCEPFGSA-N 1 3 317.455 -0.392 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)CC[N@H+]1C ZINC001441486918 1006681437 /nfs/dbraw/zinc/68/14/37/1006681437.db2.gz OYJNLDJOAQOLPY-FVCCEPFGSA-N 1 3 317.455 -0.392 20 0 DBADHO CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001441543253 1006712323 /nfs/dbraw/zinc/71/23/23/1006712323.db2.gz UYHBYRWFCILLMH-CHWSQXEVSA-N 1 3 313.446 -0.212 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001430216084 1006768228 /nfs/dbraw/zinc/76/82/28/1006768228.db2.gz LBQIWXFUJARAHM-UHFFFAOYSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001441651995 1006773894 /nfs/dbraw/zinc/77/38/94/1006773894.db2.gz NSERNGYPWRAMIT-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001430243061 1006783560 /nfs/dbraw/zinc/78/35/60/1006783560.db2.gz ZNPYOQVAGVYRNC-TXEJJXNPSA-N 1 3 307.398 -0.024 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 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/nfs/dbraw/zinc/54/13/90/1011541390.db2.gz HKGGGCYYCFZFKA-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482924490 1011541402 /nfs/dbraw/zinc/54/14/02/1011541402.db2.gz HKGGGCYYCFZFKA-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)[C@H](C(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001483057910 1011651735 /nfs/dbraw/zinc/65/17/35/1011651735.db2.gz SBPNHSDPCWYSSX-HGIUVPSYSA-N 1 3 324.425 -0.360 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483163131 1011748293 /nfs/dbraw/zinc/74/82/93/1011748293.db2.gz ZSKOKLFEMIPANH-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](C[NH2+]CC(=O)NCC1CC1)NC(=O)CN1CC[C@H](C)C1 ZINC001483166571 1011757431 /nfs/dbraw/zinc/75/74/31/1011757431.db2.gz KRBVZGKLGYVJSP-QWHCGFSZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001483267544 1011820073 /nfs/dbraw/zinc/82/00/73/1011820073.db2.gz NVZVIJUXDMTQPK-AVGNSLFASA-N 1 3 319.471 -0.144 20 0 DBADHO CN(CCC[NH2+]CCS(C)(=O)=O)C(=O)[C@@H]1CCCN1C ZINC001483455945 1011878650 /nfs/dbraw/zinc/87/86/50/1011878650.db2.gz IXAWXHXHKXFIQI-LBPRGKRZSA-N 1 3 305.444 -0.437 20 0 DBADHO CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)Cc1c[nH]cn1 ZINC001483494065 1011890307 /nfs/dbraw/zinc/89/03/07/1011890307.db2.gz AQBDXHIGHVUMDF-LLVKDONJSA-N 1 3 307.354 -0.805 20 0 DBADHO CNC(=O)CNC[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001483591646 1011953984 /nfs/dbraw/zinc/95/39/84/1011953984.db2.gz GDXQPLLCYMDWSL-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)C1CC1 ZINC001483602567 1011958603 /nfs/dbraw/zinc/95/86/03/1011958603.db2.gz QZIHEGWUODRSLN-QWHCGFSZSA-N 1 3 324.425 -0.382 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21 ZINC001454511890 1012014448 /nfs/dbraw/zinc/01/44/48/1012014448.db2.gz CZHJMQRQJRJLEK-ATCWAGBWSA-N 1 3 319.409 -0.215 20 0 DBADHO C[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)CCN1C(=O)Cc1c[nH]cn1 ZINC001483911613 1012202051 /nfs/dbraw/zinc/20/20/51/1012202051.db2.gz KJQUXZBJNJLVRM-UWVGGRQHSA-N 1 3 322.369 -0.884 20 0 DBADHO CCN(CC)CC(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001455363542 1012360994 /nfs/dbraw/zinc/36/09/94/1012360994.db2.gz DAXCHQZLOTVWCZ-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1 ZINC001484217034 1012400875 /nfs/dbraw/zinc/40/08/75/1012400875.db2.gz POMWJHDXOVXDHN-HOCLYGCPSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1 ZINC001484217034 1012400895 /nfs/dbraw/zinc/40/08/95/1012400895.db2.gz POMWJHDXOVXDHN-HOCLYGCPSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001484482707 1012708512 /nfs/dbraw/zinc/70/85/12/1012708512.db2.gz UBRYDTXBEWAHAH-CHWSQXEVSA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(CCO)CCN[C@H](C)C(N)=O ZINC001484482707 1012708529 /nfs/dbraw/zinc/70/85/29/1012708529.db2.gz UBRYDTXBEWAHAH-CHWSQXEVSA-N 1 3 314.430 -0.857 20 0 DBADHO Cc1nc(CNCCN(CCO)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001484493443 1012731171 /nfs/dbraw/zinc/73/11/71/1012731171.db2.gz ZMVJLNCTIZOSNV-UHFFFAOYSA-N 1 3 324.429 -0.635 20 0 DBADHO C[C@@H](O)C[NH2+][C@@]1(CO)CCCN(C(=O)CN(C)C2CCC2)C1 ZINC001484842794 1012873981 /nfs/dbraw/zinc/87/39/81/1012873981.db2.gz XXKLGDPTIWZXQZ-CJNGLKHVSA-N 1 3 313.442 -0.205 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC(O)(C[NH2+]CCCO)CC2)C1 ZINC001484960347 1012911406 /nfs/dbraw/zinc/91/14/06/1012911406.db2.gz BPKHPTYEWQRCSW-AWEZNQCLSA-N 1 3 313.442 -0.346 20 0 DBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001485024906 1012956421 /nfs/dbraw/zinc/95/64/21/1012956421.db2.gz YGOZKESJFIMVIQ-CYBMUJFWSA-N 1 3 313.442 -0.348 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCN1CCNC1=O ZINC001497548885 1017416854 /nfs/dbraw/zinc/41/68/54/1017416854.db2.gz KYAJGSYCPWLZDZ-ZRMMWKCHSA-N 1 3 309.414 -0.632 20 0 DBADHO O=C(NC/C=C\CN[C@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001497726919 1017480565 /nfs/dbraw/zinc/48/05/65/1017480565.db2.gz KDQNFFSQNQFUFI-FYDYADQUSA-N 1 3 306.410 -0.377 20 0 DBADHO C[C@H](C[NH2+]CCCS(C)(=O)=O)NC(=O)CN1CC[C@H](C)C1 ZINC001497911325 1017543276 /nfs/dbraw/zinc/54/32/76/1017543276.db2.gz VKPIMBXLQQRGNP-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H](CNCC(=O)N(C)C1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001497963330 1017557858 /nfs/dbraw/zinc/55/78/58/1017557858.db2.gz SZBJQBFALCPEDS-GFCCVEGCSA-N 1 3 308.426 -0.203 20 0 DBADHO Cc1nc(CNC[C@H](C)NC(=O)COC2CC[NH+](C)CC2)n[nH]1 ZINC001498151491 1017649041 /nfs/dbraw/zinc/64/90/41/1017649041.db2.gz UNHODCXVDFEIEJ-NSHDSACASA-N 1 3 324.429 -0.182 20 0 DBADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCN1C)C(=O)NC(N)=O ZINC001498526717 1017821944 /nfs/dbraw/zinc/82/19/44/1017821944.db2.gz XUVMYZQKBHMNSI-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO CC[C@H](C(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001498641741 1017842445 /nfs/dbraw/zinc/84/24/45/1017842445.db2.gz OHCGNAZEMQIFPT-GHMZBOCLSA-N 1 3 315.418 -0.652 20 0 DBADHO Cn1cc(CCN2CC[C@@](O)(CNC(=O)CC[NH+](C)C)C2)cn1 ZINC001500722110 1018425870 /nfs/dbraw/zinc/42/58/70/1018425870.db2.gz MGDQVDLDASKUBR-MRXNPFEDSA-N 1 3 323.441 -0.533 20 0 DBADHO C[NH+](C)CCCC(=O)NC[C@@]1(O)CCN(CCn2cccn2)C1 ZINC001500717521 1018426090 /nfs/dbraw/zinc/42/60/90/1018426090.db2.gz ACQZHVVTXWBTDO-INIZCTEOSA-N 1 3 323.441 -0.222 20 0 DBADHO C[C@H](O)C[NH2+]C1CCN(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001501276079 1018616591 /nfs/dbraw/zinc/61/65/91/1018616591.db2.gz NIFSEUTXBNZENA-JTQLQIEISA-N 1 3 313.377 -0.287 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@](CO)([NH2+]CCCO)C2)C1 ZINC001502588404 1019099080 /nfs/dbraw/zinc/09/90/80/1019099080.db2.gz DUCMUAMTHAYPST-ZBFHGGJFSA-N 1 3 313.442 -0.346 20 0 DBADHO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)CN(C)C2CCC2)CC1 ZINC001502873128 1019207712 /nfs/dbraw/zinc/20/77/12/1019207712.db2.gz KRMCFXICCYJPCV-ZDUSSCGKSA-N 1 3 313.442 -0.205 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001505726299 1019478713 /nfs/dbraw/zinc/47/87/13/1019478713.db2.gz IAPLJWVYZXMSQB-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001505726299 1019478733 /nfs/dbraw/zinc/47/87/33/1019478733.db2.gz IAPLJWVYZXMSQB-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2CCN2C(=O)CC[NH+](C)C)C1 ZINC001505890801 1019573212 /nfs/dbraw/zinc/57/32/12/1019573212.db2.gz YDCHPJRDYOUCEP-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@]1(C[NH3+])CCCOC1 ZINC001576574111 1019868939 /nfs/dbraw/zinc/86/89/39/1019868939.db2.gz ROYXZGPASFZSAV-DOMZBBRYSA-N 1 3 312.414 -0.680 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC12CC(C1)C[NH2+]2 ZINC001576572045 1019869434 /nfs/dbraw/zinc/86/94/34/1019869434.db2.gz JBFUESWIFPSIBC-BZUNDVKYSA-N 1 3 309.414 -0.500 20 0 DBADHO C[C@@H]1CN(C(=O)C2=NOC3(CNC3)C2)CC[N@@H+]1CC(C)(C)O ZINC001576763565 1019887054 /nfs/dbraw/zinc/88/70/54/1019887054.db2.gz UYUPGMZCYWDGAC-LLVKDONJSA-N 1 3 310.398 -0.592 20 0 DBADHO C[C@@H]1CN(C(=O)C2=NOC3(CNC3)C2)CC[N@H+]1CC(C)(C)O ZINC001576763565 1019887058 /nfs/dbraw/zinc/88/70/58/1019887058.db2.gz UYUPGMZCYWDGAC-LLVKDONJSA-N 1 3 310.398 -0.592 20 0 DBADHO CN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001577057357 1019998549 /nfs/dbraw/zinc/99/85/49/1019998549.db2.gz PXFNGCNQKRBQPI-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001577057357 1019998566 /nfs/dbraw/zinc/99/85/66/1019998566.db2.gz PXFNGCNQKRBQPI-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCc1c[nH]nn1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001577138857 1020009946 /nfs/dbraw/zinc/00/99/46/1020009946.db2.gz SHMJCJYMXLHHIF-NSHDSACASA-N 1 3 320.401 -0.529 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@H](CN[C@H]1CCN(C)C1=O)C1CC1 ZINC001507022083 1020046107 /nfs/dbraw/zinc/04/61/07/1020046107.db2.gz KVTCYWHZRRHVGG-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001507035012 1020053483 /nfs/dbraw/zinc/05/34/83/1020053483.db2.gz OOSOXGLMGYVZTG-CYBMUJFWSA-N 1 3 308.426 -0.345 20 0 DBADHO CCN1CCN(CC(C)(C)NC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC001577775704 1020119172 /nfs/dbraw/zinc/11/91/72/1020119172.db2.gz MYUPOUVLPQJOBW-CQSZACIVSA-N 1 3 313.490 -0.202 20 0 DBADHO CC(C)(C(=O)NC[C@@H](CO)[NH2+]C[C@@H]1CCOC1)N1CCCC1 ZINC001507227076 1020207954 /nfs/dbraw/zinc/20/79/54/1020207954.db2.gz VOJZOQMTWLJYFO-KBPBESRZSA-N 1 3 313.442 -0.036 20 0 DBADHO CC(C)(C(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCOC1)N1CCCC1 ZINC001507227089 1020210616 /nfs/dbraw/zinc/21/06/16/1020210616.db2.gz VOJZOQMTWLJYFO-KGLIPLIRSA-N 1 3 313.442 -0.036 20 0 DBADHO CC(C)(C(=O)NC[C@H](CO)[NH2+]C[C@H]1CCOC1)N1CCCC1 ZINC001507227095 1020212155 /nfs/dbraw/zinc/21/21/55/1020212155.db2.gz VOJZOQMTWLJYFO-ZIAGYGMSSA-N 1 3 313.442 -0.036 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@H]1[C@@H]2C[NH2+]CC[C@@H]21 ZINC001578397528 1020228727 /nfs/dbraw/zinc/22/87/27/1020228727.db2.gz QASNNDWBFZAPOX-GBJTYRQASA-N 1 3 322.453 -0.099 20 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/nfs/dbraw/zinc/26/19/40/1020261940.db2.gz OMGOVDZXPISJCL-CVEARBPZSA-N 1 3 320.437 -0.199 20 0 DBADHO CN1CCN(C)CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC001578533718 1020262048 /nfs/dbraw/zinc/26/20/48/1020262048.db2.gz UZRXABBMLWEHNW-HNNXBMFYSA-N 1 3 321.473 -0.118 20 0 DBADHO C[NH2+]C[C@@H](O)CN(C)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001578646205 1020278646 /nfs/dbraw/zinc/27/86/46/1020278646.db2.gz BZGFZYPNNPYNNM-UONOGXRCSA-N 1 3 314.430 -0.539 20 0 DBADHO CNS(=O)(=O)[C@H]1CCCN(C[C@]2(O)CCC[NH2+]CC2)C1 ZINC001578745057 1020286577 /nfs/dbraw/zinc/28/65/77/1020286577.db2.gz RASBTMXNJDNVGI-STQMWFEESA-N 1 3 305.444 -0.495 20 0 DBADHO COCCN(C)CCN1C[C@H](NC(=O)C[NH2+]C(C)C)CC1=O ZINC001579021671 1020353728 /nfs/dbraw/zinc/35/37/28/1020353728.db2.gz PBDHNDJZSZKMGO-CYBMUJFWSA-N 1 3 314.430 -0.720 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NCCN2CCC([NH3+])CC2)C1 ZINC001579038155 1020355598 /nfs/dbraw/zinc/35/55/98/1020355598.db2.gz BYJHDTPIEPGCBD-CQSZACIVSA-N 1 3 313.446 -0.571 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001507544361 1020420182 /nfs/dbraw/zinc/42/01/82/1020420182.db2.gz YPSKJTZNLJSVJW-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@H](O)CNCc1cncn1C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001507544361 1020420189 /nfs/dbraw/zinc/42/01/89/1020420189.db2.gz YPSKJTZNLJSVJW-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO CS[C@@H]1CN(C(=O)CC2(O)CC[NH2+]CC2)C[C@H]1N(C)C ZINC001579370722 1020433232 /nfs/dbraw/zinc/43/32/32/1020433232.db2.gz UYHZDHBINZHJIV-VXGBXAGGSA-N 1 3 301.456 -0.005 20 0 DBADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCO ZINC001507705971 1020473283 /nfs/dbraw/zinc/47/32/83/1020473283.db2.gz KCCBMUVWESOJPE-CABCVRRESA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)N1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCO ZINC001507705971 1020473298 /nfs/dbraw/zinc/47/32/98/1020473298.db2.gz KCCBMUVWESOJPE-CABCVRRESA-N 1 3 315.458 -0.007 20 0 DBADHO CN(CCOCCN[C@H]1CCNC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001508185445 1020542666 /nfs/dbraw/zinc/54/26/66/1020542666.db2.gz VMCDFZQQSKFEIJ-ZDUSSCGKSA-N 1 3 324.425 -0.965 20 0 DBADHO COC[C@@H](O)CN1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001508230918 1020559964 /nfs/dbraw/zinc/55/99/64/1020559964.db2.gz HKIZXCPXSJCVNQ-GJZGRUSLSA-N 1 3 311.426 -0.306 20 0 DBADHO COC[C@@H](O)CN1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001508230918 1020559970 /nfs/dbraw/zinc/55/99/70/1020559970.db2.gz HKIZXCPXSJCVNQ-GJZGRUSLSA-N 1 3 311.426 -0.306 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)NC[C@H]2CC[NH2+]2)CC1 ZINC001580085146 1020642675 /nfs/dbraw/zinc/64/26/75/1020642675.db2.gz TZCYLULQRINQEL-CYBMUJFWSA-N 1 3 323.441 -0.136 20 0 DBADHO [NH3+]C[C@H]1CN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CCO1 ZINC001580276137 1020680565 /nfs/dbraw/zinc/68/05/65/1020680565.db2.gz MNHPUQIYYFDQQR-STQMWFEESA-N 1 3 303.428 -0.538 20 0 DBADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001580484989 1020733954 /nfs/dbraw/zinc/73/39/54/1020733954.db2.gz PDEMZXDTPXEULZ-WOPDTQHZSA-N 1 3 303.353 -0.101 20 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/nfs/dbraw/zinc/88/12/62/1021881262.db2.gz JBRSCADZWRTITJ-SECBINFHSA-N 1 3 302.325 -0.383 20 0 DBADHO C[C@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@H]1CCC(=O)NC1=O ZINC001567058829 1024498111 /nfs/dbraw/zinc/49/81/11/1024498111.db2.gz BBDAZBIXYCRDOL-YPMHNXCESA-N 1 3 324.425 -0.382 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001567091529 1024514069 /nfs/dbraw/zinc/51/40/69/1024514069.db2.gz OGXQTVLILANNFR-KBPBESRZSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCN2CCNC2=O)CCC1 ZINC001567508360 1024743684 /nfs/dbraw/zinc/74/36/84/1024743684.db2.gz WDJPRLGFYTXNTD-UHFFFAOYSA-N 1 3 311.430 -0.456 20 0 DBADHO CN(CCNCC(=O)NCC(F)(F)F)C(=O)CC[NH+](C)C ZINC001567555535 1024788494 /nfs/dbraw/zinc/78/84/94/1024788494.db2.gz RDPGSLDZOZQRME-UHFFFAOYSA-N 1 3 312.336 -0.335 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]CCc2cnn(C)c2)CCC1 ZINC001568564715 1024943355 /nfs/dbraw/zinc/94/33/55/1024943355.db2.gz YVOJUBCFZKXMFX-CQSZACIVSA-N 1 3 323.441 -0.486 20 0 DBADHO C[C@@H]([NH2+]CCOCCO)[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569824786 1025371116 /nfs/dbraw/zinc/37/11/16/1025371116.db2.gz UEOXMLYSIPLYQO-CABCVRRESA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H](NC[C@H]1CN(C(=O)CCCC[NH+](C)C)CCO1)C(N)=O ZINC001570159508 1025504889 /nfs/dbraw/zinc/50/48/89/1025504889.db2.gz COSZHPLGAQVEBP-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@@H]1[NH2+]CCOCCO ZINC001570344455 1025584724 /nfs/dbraw/zinc/58/47/24/1025584724.db2.gz PAQFCRKKVXFYHC-HIFRSBDPSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H](CN(C)C(=O)CCC[NH+](C)C)N[C@H]1CCC(=O)NC1=O ZINC001571402377 1025935170 /nfs/dbraw/zinc/93/51/70/1025935170.db2.gz VMUMZTWVCPSGRF-RYUDHWBXSA-N 1 3 312.414 -0.430 20 0 DBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@@H]1[NH2+]CCOCCO ZINC001571564427 1026071250 /nfs/dbraw/zinc/07/12/50/1026071250.db2.gz CNSMCUAOKUWZPV-ZDUSSCGKSA-N 1 3 310.398 -0.212 20 0 DBADHO CCN1CCN(CCNS(=O)(=O)C[C@H]2CCCC[NH2+]2)CC1 ZINC001573777577 1026631768 /nfs/dbraw/zinc/63/17/68/1026631768.db2.gz CGIVKIONFXGKJL-CQSZACIVSA-N 1 3 318.487 -0.315 20 0 DBADHO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CN2CCC1CC2 ZINC001574057111 1026696650 /nfs/dbraw/zinc/69/66/50/1026696650.db2.gz HAIAHXRHYCGHFU-VXGBXAGGSA-N 1 3 303.428 -0.794 20 0 DBADHO O=S(=O)(C[C@H]1CC[NH2+]C1)N1CC(NC2CCOCC2)C1 ZINC001574438287 1026788752 /nfs/dbraw/zinc/78/87/52/1026788752.db2.gz GUTRQRPAGHMLPX-NSHDSACASA-N 1 3 303.428 -0.622 20 0 DBADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000418727003 529559090 /nfs/dbraw/zinc/55/90/90/529559090.db2.gz MBNKORQMBLPXDX-CYBMUJFWSA-N 1 3 313.446 -0.081 20 0 DBADHO C[NH2+]CCCNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418280560 529967799 /nfs/dbraw/zinc/96/77/99/529967799.db2.gz AZIMYUNFZKHDSW-CYBMUJFWSA-N 1 3 311.430 -0.456 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000332380330 295723233 /nfs/dbraw/zinc/72/32/33/295723233.db2.gz WVQRDTQTZUIPPU-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CCN(C)CCNC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341162888 138106088 /nfs/dbraw/zinc/10/60/88/138106088.db2.gz LTWPIIOLEGQGPM-CYBMUJFWSA-N 1 3 313.446 -0.175 20 0 DBADHO CCN(C)CCNC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000341162888 138106089 /nfs/dbraw/zinc/10/60/89/138106089.db2.gz LTWPIIOLEGQGPM-CYBMUJFWSA-N 1 3 313.446 -0.175 20 0 DBADHO COCCN1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000355182047 138140234 /nfs/dbraw/zinc/14/02/34/138140234.db2.gz POUNDGQBZKAURW-ZDUSSCGKSA-N 1 3 314.430 -0.537 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@@]1(N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000372571414 138168191 /nfs/dbraw/zinc/16/81/91/138168191.db2.gz MSBHOVTXBAZSKK-CKEIUWERSA-N 1 3 324.469 -0.070 20 0 DBADHO COCCN(CCN(C)C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418289203 237325100 /nfs/dbraw/zinc/32/51/00/237325100.db2.gz CQASCWMDVOSFAV-UHFFFAOYSA-N 1 3 301.435 -0.889 20 0 DBADHO CN(C(=O)NC[C@H]1NCCc2ccccc21)[C@H]1C[NH2+]C[C@@H]1O ZINC000418627259 237375797 /nfs/dbraw/zinc/37/57/97/237375797.db2.gz AOFXIRAVAGGJCK-ILXRZTDVSA-N 1 3 304.394 -0.153 20 0 DBADHO O=C(CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NCCN1CCCCCC1 ZINC000418681140 237379837 /nfs/dbraw/zinc/37/98/37/237379837.db2.gz YMWVIWXRSXLFKH-NHAGDIPZSA-N 1 3 323.441 -0.504 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@H](CC[NH3+])C(F)F)CC1=O ZINC000449620730 238354083 /nfs/dbraw/zinc/35/40/83/238354083.db2.gz FULYWZBWBYZAHZ-NXEZZACHSA-N 1 3 306.357 -0.505 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC000562151049 284005829 /nfs/dbraw/zinc/00/58/29/284005829.db2.gz OFNQODMGGDFRBD-SOUVJXGZSA-N 1 3 313.442 -0.010 20 0 DBADHO CN(C)CCN(Cc1ccccc1F)C(=O)C(=O)NC1C[NH2+]C1 ZINC000562828928 284016291 /nfs/dbraw/zinc/01/62/91/284016291.db2.gz RZXIHTCXVWONKT-UHFFFAOYSA-N 1 3 322.384 -0.196 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@@H](O)Cn2cccn2)C1 ZINC000562984581 284019118 /nfs/dbraw/zinc/01/91/18/284019118.db2.gz DJACNDSJRXUMSP-ZIAGYGMSSA-N 1 3 309.414 -0.579 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC[C@@H](O)Cn2cccn2)C1 ZINC000562984581 284019120 /nfs/dbraw/zinc/01/91/20/284019120.db2.gz DJACNDSJRXUMSP-ZIAGYGMSSA-N 1 3 309.414 -0.579 20 0 DBADHO CCC[N@H+](CC)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563458807 284041075 /nfs/dbraw/zinc/04/10/75/284041075.db2.gz UYBLTRWVWOGPLJ-CHWSQXEVSA-N 1 3 311.430 -0.328 20 0 DBADHO CCC[N@@H+](CC)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000563458807 284041079 /nfs/dbraw/zinc/04/10/79/284041079.db2.gz UYBLTRWVWOGPLJ-CHWSQXEVSA-N 1 3 311.430 -0.328 20 0 DBADHO [NH3+]C[C@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CCCO1 ZINC000564090971 284054890 /nfs/dbraw/zinc/05/48/90/284054890.db2.gz WZIUBULRQNTNTE-HNNXBMFYSA-N 1 3 310.442 -0.221 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000564470738 284061555 /nfs/dbraw/zinc/06/15/55/284061555.db2.gz WCXPAHQNNUXYKZ-QWHCGFSZSA-N 1 3 311.430 -0.410 20 0 DBADHO C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000564740492 284066211 /nfs/dbraw/zinc/06/62/11/284066211.db2.gz OHQUOWNCWMTYRJ-MCIONIFRSA-N 1 3 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CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1(C)C ZINC000565237546 284090011 /nfs/dbraw/zinc/09/00/11/284090011.db2.gz CQWUQVFWJBHTSH-LGSVPQMISA-N 1 3 324.425 -0.711 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000565423006 284095267 /nfs/dbraw/zinc/09/52/67/284095267.db2.gz YVUMKCIOYCXRJP-RYUDHWBXSA-N 1 3 314.430 -0.545 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000565608386 284100438 /nfs/dbraw/zinc/10/04/38/284100438.db2.gz BXWLJLJSYWVPCW-FPMFFAJLSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000565608386 284100441 /nfs/dbraw/zinc/10/04/41/284100441.db2.gz BXWLJLJSYWVPCW-FPMFFAJLSA-N 1 3 321.425 -0.576 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000643545439 374262889 /nfs/dbraw/zinc/26/28/89/374262889.db2.gz UCLUCAHAKMDFRQ-RFQIPJPRSA-N 1 3 308.426 -0.123 20 0 DBADHO C[C@@H]([NH3+])[C@H]1CN(C(=O)C(=O)NCC2(N(C)C)CCC2)CCO1 ZINC000642698843 374292669 /nfs/dbraw/zinc/29/26/69/374292669.db2.gz VVGHXHSPYQNWSY-VXGBXAGGSA-N 1 3 312.414 -0.839 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2CSCCN2)C1 ZINC000237890433 374440477 /nfs/dbraw/zinc/44/04/77/374440477.db2.gz UDIZIWUBWIKGMD-NEPJUHHUSA-N 1 3 314.455 -0.605 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)C1CC1 ZINC000642756043 374496181 /nfs/dbraw/zinc/49/61/81/374496181.db2.gz LWHDFRWJHOIGGL-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)N(C)C1CC1 ZINC000642773371 374515019 /nfs/dbraw/zinc/51/50/19/374515019.db2.gz UHJNVPBHPMUYJY-MDZLAQPJSA-N 1 3 312.414 -0.840 20 0 DBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785684 374572569 /nfs/dbraw/zinc/57/25/69/374572569.db2.gz DFQMBQKEDFJWNZ-KBPBESRZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642786052 374574434 /nfs/dbraw/zinc/57/44/34/374574434.db2.gz 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/nfs/dbraw/zinc/62/73/13/374627313.db2.gz CWRIDERFWQLBPB-HOTGVXAUSA-N 1 3 315.458 -0.230 20 0 DBADHO O=C(NCCN1CC[C@@H](O)C1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000625896073 374932341 /nfs/dbraw/zinc/93/23/41/374932341.db2.gz QLXOTTZVRWEWEB-CYBMUJFWSA-N 1 3 305.382 -0.085 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000152475709 374938086 /nfs/dbraw/zinc/93/80/86/374938086.db2.gz UHXRIBVLQPSAQX-GFCCVEGCSA-N 1 3 322.413 -0.454 20 0 DBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000642910870 374993108 /nfs/dbraw/zinc/99/31/08/374993108.db2.gz QAWHUNUMWHWSHZ-LLVKDONJSA-N 1 3 321.381 -0.798 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000642922201 375025193 /nfs/dbraw/zinc/02/51/93/375025193.db2.gz UWNKEZRRRVNGJV-HZSPNIEDSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCCN(C)C1 ZINC000081454093 375154463 /nfs/dbraw/zinc/15/44/63/375154463.db2.gz RATRAKUAEBIYAC-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO COCCOCC[N@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000635948983 375289306 /nfs/dbraw/zinc/28/93/06/375289306.db2.gz XASIPDRKZANLDP-KBPBESRZSA-N 1 3 317.430 -0.895 20 0 DBADHO COCCOCC[N@@H+](C)CCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000635948983 375289314 /nfs/dbraw/zinc/28/93/14/375289314.db2.gz XASIPDRKZANLDP-KBPBESRZSA-N 1 3 317.430 -0.895 20 0 DBADHO CCN1CCN(CCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000570670225 375381840 /nfs/dbraw/zinc/38/18/40/375381840.db2.gz HLPUGMCAWUJTFV-OAHLLOKOSA-N 1 3 309.458 -0.870 20 0 DBADHO CCN1CCN(CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000570670225 375381846 /nfs/dbraw/zinc/38/18/46/375381846.db2.gz HLPUGMCAWUJTFV-OAHLLOKOSA-N 1 3 309.458 -0.870 20 0 DBADHO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642989034 375473748 /nfs/dbraw/zinc/47/37/48/375473748.db2.gz KMGHADDPRAGMAM-YIYPIFLZSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000643005776 375475416 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ZINC000595269616 375987215 /nfs/dbraw/zinc/98/72/15/375987215.db2.gz VFMGBEQAILPQNH-HZSPNIEDSA-N 1 3 323.441 -0.186 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)c3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000595969583 376054245 /nfs/dbraw/zinc/05/42/45/376054245.db2.gz FSKLRNIFITWUDI-SWLSCSKDSA-N 1 3 314.389 -0.284 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccccn1 ZINC000531357852 376058886 /nfs/dbraw/zinc/05/88/86/376058886.db2.gz HABPFZBOIULIBY-UHFFFAOYSA-N 1 3 321.425 -0.237 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CCN2C1=O ZINC000597441565 376132662 /nfs/dbraw/zinc/13/26/62/376132662.db2.gz JWAHEFXVSFGACU-TUAOUCFPSA-N 1 3 307.398 -0.918 20 0 DBADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@]3(C)CNCCO3)C2)CC1 ZINC000602479716 376447917 /nfs/dbraw/zinc/44/79/17/376447917.db2.gz APFWSZJJMIQBEV-RDJZCZTQSA-N 1 3 324.469 -0.008 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636814628 376561230 /nfs/dbraw/zinc/56/12/30/376561230.db2.gz GKEKKEIFQVZVLJ-OLZOCXBDSA-N 1 3 300.403 -0.927 20 0 DBADHO COCC[N@@H+]1CC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636814628 376561231 /nfs/dbraw/zinc/56/12/31/376561231.db2.gz GKEKKEIFQVZVLJ-OLZOCXBDSA-N 1 3 300.403 -0.927 20 0 DBADHO COCC[N@H+]1CC[C@@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636814628 376561237 /nfs/dbraw/zinc/56/12/37/376561237.db2.gz GKEKKEIFQVZVLJ-OLZOCXBDSA-N 1 3 300.403 -0.927 20 0 DBADHO C[NH+](C)[C@@]1(CNC(=O)NCCN2CC[C@H](O)C2)CCSC1 ZINC000636900556 376589716 /nfs/dbraw/zinc/58/97/16/376589716.db2.gz DRYNOLWPPDVVAC-GXTWGEPZSA-N 1 3 316.471 -0.211 20 0 DBADHO CN(C(=O)[C@H]1CN(C)CCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365748836 376859263 /nfs/dbraw/zinc/85/92/63/376859263.db2.gz CMJSXZMCKPJCOY-JKSUJKDBSA-N 1 3 324.469 -0.056 20 0 DBADHO CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339637991 377049440 /nfs/dbraw/zinc/04/94/40/377049440.db2.gz JTKOKTPKXCHBIY-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)C[C@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339637991 377049452 /nfs/dbraw/zinc/04/94/52/377049452.db2.gz JTKOKTPKXCHBIY-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1CCN(C[C@@H](O)C[NH2+][C@H](CO)CN2CCCCC2)CC1 ZINC000571165750 377153355 /nfs/dbraw/zinc/15/33/55/377153355.db2.gz KOISXYWAMQQTLY-HOTGVXAUSA-N 1 3 314.474 -0.969 20 0 DBADHO O=C(CN1CC[NH2+]CC1)Nc1ccc(N2CCNCC2)cn1 ZINC000637822548 377581880 /nfs/dbraw/zinc/58/18/80/377581880.db2.gz CAGROLVEVKSZDA-UHFFFAOYSA-N 1 3 304.398 -0.665 20 0 DBADHO O=C(CCC1C[NH2+]C1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000638100345 377836840 /nfs/dbraw/zinc/83/68/40/377836840.db2.gz YLMGAYVYVDUUEH-UHFFFAOYSA-N 1 3 308.426 -0.247 20 0 DBADHO CN(C)CCn1cc(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000638242348 377863802 /nfs/dbraw/zinc/86/38/02/377863802.db2.gz YCPIHKNPMOGRAO-HNNXBMFYSA-N 1 3 320.441 -0.436 20 0 DBADHO COC[C@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638240545 377863855 /nfs/dbraw/zinc/86/38/55/377863855.db2.gz JZFZSILKSKUHMG-ZBFHGGJFSA-N 1 3 310.442 -0.349 20 0 DBADHO COCCOCCN(C)CCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000638344388 377879014 /nfs/dbraw/zinc/87/90/14/377879014.db2.gz SHFBWXJMJWIXJL-AWEZNQCLSA-N 1 3 317.430 -0.453 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000638137764 377850204 /nfs/dbraw/zinc/85/02/04/377850204.db2.gz NGSQJWZSAYYWGQ-YCPHGPKFSA-N 1 3 312.458 -0.247 20 0 DBADHO CC(C)OCCN1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638135818 377851094 /nfs/dbraw/zinc/85/10/94/377851094.db2.gz WSCACVZUQBLCHM-UHFFFAOYSA-N 1 3 312.458 -0.103 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000638137763 377851189 /nfs/dbraw/zinc/85/11/89/377851189.db2.gz NGSQJWZSAYYWGQ-OFQRWUPVSA-N 1 3 312.458 -0.247 20 0 DBADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638219870 377860777 /nfs/dbraw/zinc/86/07/77/377860777.db2.gz MEDYZORBFYEHKB-BBBLOLIVSA-N 1 3 310.320 -0.945 20 0 DBADHO N[C@@H]1CCO[C@@H]1C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000638219876 377860926 /nfs/dbraw/zinc/86/09/26/377860926.db2.gz MEDYZORBFYEHKB-UTLUCORTSA-N 1 3 310.320 -0.945 20 0 DBADHO O=C(C[C@H]1CNCCO1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638778804 378078566 /nfs/dbraw/zinc/07/85/66/378078566.db2.gz GIUMZBUJTBXTHY-CABCVRRESA-N 1 3 311.426 -0.018 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[NH2+]CC[C@H]32)CC1=O ZINC000639026239 378298994 /nfs/dbraw/zinc/29/89/94/378298994.db2.gz YTZBQIDJJFGSAF-RRFJBIMHSA-N 1 3 322.453 -0.003 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CCN2C1=O ZINC000583511675 378406378 /nfs/dbraw/zinc/40/63/78/378406378.db2.gz RTCJADUQEDEKGV-YNEHKIRRSA-N 1 3 309.414 -0.528 20 0 DBADHO C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C)NC(N)=O ZINC000617502060 378368108 /nfs/dbraw/zinc/36/81/08/378368108.db2.gz AXKPTXZMUJCIDD-NEPJUHHUSA-N 1 3 301.435 -0.179 20 0 DBADHO C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C)NC(N)=O ZINC000617502060 378368111 /nfs/dbraw/zinc/36/81/11/378368111.db2.gz AXKPTXZMUJCIDD-NEPJUHHUSA-N 1 3 301.435 -0.179 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H]1N(C)C ZINC000331744147 378538619 /nfs/dbraw/zinc/53/86/19/378538619.db2.gz CBYNCPKEWAXOCN-QKGCVVFFSA-N 1 3 322.453 -0.019 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000333819655 378565704 /nfs/dbraw/zinc/56/57/04/378565704.db2.gz KRHUDBIXIBIFGC-ZIAGYGMSSA-N 1 3 323.441 -0.314 20 0 DBADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000331728632 378535536 /nfs/dbraw/zinc/53/55/36/378535536.db2.gz ZPFIWGLKPVWIOL-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC(NC(=O)C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000331728632 378535541 /nfs/dbraw/zinc/53/55/41/378535541.db2.gz ZPFIWGLKPVWIOL-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000331577395 378536708 /nfs/dbraw/zinc/53/67/08/378536708.db2.gz FESYXFOWRNPAKX-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO NC(C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(F)(F)F ZINC000353453801 378663390 /nfs/dbraw/zinc/66/33/90/378663390.db2.gz SBKINIWKVCDDHY-NKWVEPMBSA-N 1 3 322.253 -0.172 20 0 DBADHO CO[C@@H](C[NH3+])C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000353505289 378668224 /nfs/dbraw/zinc/66/82/24/378668224.db2.gz CPTLOWGTTMFCRC-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CN1C1CC1 ZINC000354752837 378762830 /nfs/dbraw/zinc/76/28/30/378762830.db2.gz UISFXQOWXXHXKD-DYEKYZERSA-N 1 3 308.426 -0.014 20 0 DBADHO CN(C)CCN(C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000356104001 378853129 /nfs/dbraw/zinc/85/31/29/378853129.db2.gz VRWFUPNNSHQZCS-ZDUSSCGKSA-N 1 3 313.446 -0.223 20 0 DBADHO CN(C)CCN(C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000356104001 378853135 /nfs/dbraw/zinc/85/31/35/378853135.db2.gz VRWFUPNNSHQZCS-ZDUSSCGKSA-N 1 3 313.446 -0.223 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000357248551 378930823 /nfs/dbraw/zinc/93/08/23/378930823.db2.gz QNZWUHJLCBRQKH-ZDUSSCGKSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H](C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)C1C[NH2+]C1 ZINC000357250450 378932264 /nfs/dbraw/zinc/93/22/64/378932264.db2.gz UDTZLEZHXMXOHQ-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)NCCOCC[NH+](C)C ZINC000360280416 379250714 /nfs/dbraw/zinc/25/07/14/379250714.db2.gz VUWVYWSARKYXPK-UHFFFAOYSA-N 1 3 314.430 -0.765 20 0 DBADHO CC(C)[C@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCN1C ZINC000362534480 379447435 /nfs/dbraw/zinc/44/74/35/379447435.db2.gz QGEKVDGIJITSPQ-UONOGXRCSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[N@H+](CCO)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368644872 379549570 /nfs/dbraw/zinc/54/95/70/379549570.db2.gz YPQNQSSSIVIERW-KBPBESRZSA-N 1 3 314.430 -0.537 20 0 DBADHO CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000368644872 379549582 /nfs/dbraw/zinc/54/95/82/379549582.db2.gz YPQNQSSSIVIERW-KBPBESRZSA-N 1 3 314.430 -0.537 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000643453596 379645159 /nfs/dbraw/zinc/64/51/59/379645159.db2.gz KHBRJEGDJYPUBY-UONOGXRCSA-N 1 3 318.487 -0.329 20 0 DBADHO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCC[C@H]2CN)CC1 ZINC000643453596 379645172 /nfs/dbraw/zinc/64/51/72/379645172.db2.gz KHBRJEGDJYPUBY-UONOGXRCSA-N 1 3 318.487 -0.329 20 0 DBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000171638342 379693492 /nfs/dbraw/zinc/69/34/92/379693492.db2.gz BJSKRGZIAFJXDB-HNNXBMFYSA-N 1 3 323.441 -0.366 20 0 DBADHO C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000178836836 379739191 /nfs/dbraw/zinc/73/91/91/379739191.db2.gz WJWJCKBRYHGTGO-OCCSQVGLSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CCC[NH2+]C2)cn1 ZINC000178812236 379739921 /nfs/dbraw/zinc/73/99/21/379739921.db2.gz FDCJWCSECNHXCD-LBPRGKRZSA-N 1 3 322.413 -0.501 20 0 DBADHO CN(CCCS(N)(=O)=O)CCN(C)C1CC[NH+](C)CC1 ZINC000179292019 379740961 /nfs/dbraw/zinc/74/09/61/379740961.db2.gz LKGCKRVUMNYCRE-UHFFFAOYSA-N 1 3 306.476 -0.377 20 0 DBADHO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000584778734 379843554 /nfs/dbraw/zinc/84/35/54/379843554.db2.gz WSYIANUWAVZANI-AAEUAGOBSA-N 1 3 322.413 -0.503 20 0 DBADHO [NH3+][C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000643478987 379922579 /nfs/dbraw/zinc/92/25/79/379922579.db2.gz ZFQPCGSCIOHKQQ-ZDUSSCGKSA-N 1 3 317.393 -0.320 20 0 DBADHO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643478960 379922808 /nfs/dbraw/zinc/92/28/08/379922808.db2.gz VUJTUJQXHVITKQ-UHFFFAOYSA-N 1 3 319.409 -0.202 20 0 DBADHO CC[C@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418708585 379879457 /nfs/dbraw/zinc/87/94/57/379879457.db2.gz UIGMZDUQYYUPCP-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1 ZINC000419860875 379982758 /nfs/dbraw/zinc/98/27/58/379982758.db2.gz LFUXUBAWPUMZEF-UONOGXRCSA-N 1 3 308.426 -0.073 20 0 DBADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@H](N)c1ccccc1 ZINC000419783352 379968447 /nfs/dbraw/zinc/96/84/47/379968447.db2.gz VLYYIWYKELZQKP-AWEZNQCLSA-N 1 3 322.409 -0.503 20 0 DBADHO C[C@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H]1C[NH3+] ZINC000419775850 379969324 /nfs/dbraw/zinc/96/93/24/379969324.db2.gz LIOJDMUKCIDLDY-STQMWFEESA-N 1 3 314.430 -0.876 20 0 DBADHO CC(C)[NH+](CCNC(=O)C(=O)N(CCN)CCO)C(C)C ZINC000419796061 379969437 /nfs/dbraw/zinc/96/94/37/379969437.db2.gz MJJOBXUZFVYWRA-UHFFFAOYSA-N 1 3 302.419 -0.999 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCC[NH3+] ZINC000419825311 379973138 /nfs/dbraw/zinc/97/31/38/379973138.db2.gz AOGSKEAVGGFXRT-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419844794 379978626 /nfs/dbraw/zinc/97/86/26/379978626.db2.gz OPKXYPRULFHHJV-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CCSC1 ZINC000419576967 379941412 /nfs/dbraw/zinc/94/14/12/379941412.db2.gz CVAKWWNEZHARBV-BXUZGUMPSA-N 1 3 314.455 -0.607 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C1CC1 ZINC000419697414 379955878 /nfs/dbraw/zinc/95/58/78/379955878.db2.gz QONUUJUOKVQPGA-TZMCWYRMSA-N 1 3 308.426 -0.027 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000419718376 379958083 /nfs/dbraw/zinc/95/80/83/379958083.db2.gz ASBGZOXPLMVJSR-BFHYXJOUSA-N 1 3 310.442 -0.051 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H]1CN1CCCC1)C1CC1 ZINC000419878865 379986791 /nfs/dbraw/zinc/98/67/91/379986791.db2.gz ZFECSTDIHRIMOR-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419884087 379988921 /nfs/dbraw/zinc/98/89/21/379988921.db2.gz NPMQKOIQKSCFGX-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419911758 379993993 /nfs/dbraw/zinc/99/39/93/379993993.db2.gz DJFGSNZAGMBOBC-MJBXVCDLSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CC1 ZINC000420061802 380017025 /nfs/dbraw/zinc/01/70/25/380017025.db2.gz LQIVUHWOIHIYTL-KBPBESRZSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CC1 ZINC000420069690 380019044 /nfs/dbraw/zinc/01/90/44/380019044.db2.gz VTVZTBFLNRJECV-KGLIPLIRSA-N 1 3 308.426 -0.073 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000420111278 380027621 /nfs/dbraw/zinc/02/76/21/380027621.db2.gz GMKKBUIREYQPQG-OLZOCXBDSA-N 1 3 314.430 -0.863 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000420111277 380027654 /nfs/dbraw/zinc/02/76/54/380027654.db2.gz GMKKBUIREYQPQG-CHWSQXEVSA-N 1 3 314.430 -0.863 20 0 DBADHO CN(C)[C@H](CNC(=O)CN(CC[NH3+])CCO)c1ccccc1 ZINC000420300660 380052011 /nfs/dbraw/zinc/05/20/11/380052011.db2.gz CXHSCMXQGGXNCQ-OAHLLOKOSA-N 1 3 308.426 -0.342 20 0 DBADHO CN(CCCn1c(=O)c2c(ncn2C)n(C)c1=O)C1CC([NH3+])C1 ZINC000420324472 380056180 /nfs/dbraw/zinc/05/61/80/380056180.db2.gz CAUPSUURCPEMLV-UHFFFAOYSA-N 1 3 320.397 -0.755 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000420420248 380058924 /nfs/dbraw/zinc/05/89/24/380058924.db2.gz JWFROIMLWRPGKC-JTQLQIEISA-N 1 3 317.459 -0.065 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1C[C@H]([NH3+])C1 ZINC000420432975 380060948 /nfs/dbraw/zinc/06/09/48/380060948.db2.gz IAOKXGRVOQIHEF-HAQNSBGRSA-N 1 3 315.443 -0.170 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000572135516 380136698 /nfs/dbraw/zinc/13/66/98/380136698.db2.gz CGGGGOWMXLRFSD-ZIAGYGMSSA-N 1 3 308.426 -0.123 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1=O ZINC000261740356 380156050 /nfs/dbraw/zinc/15/60/50/380156050.db2.gz IIISTTKNDALLSM-QLFBSQMISA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@@H]1CN(C[C@H](O)CNC[C@@H](O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000580445207 380269912 /nfs/dbraw/zinc/26/99/12/380269912.db2.gz NVMDQSNCPNOTIU-KLHDSHLOSA-N 1 3 315.458 -0.497 20 0 DBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H](O)CN2CCCC2)C[C@@H](C)O1 ZINC000580445207 380269918 /nfs/dbraw/zinc/26/99/18/380269918.db2.gz NVMDQSNCPNOTIU-KLHDSHLOSA-N 1 3 315.458 -0.497 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000423374364 380332607 /nfs/dbraw/zinc/33/26/07/380332607.db2.gz JVHVNJDLCHQDOD-CJNGLKHVSA-N 1 3 306.410 -0.495 20 0 DBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000423063315 380309617 /nfs/dbraw/zinc/30/96/17/380309617.db2.gz ORCIMKRGOAVABL-ZDUSSCGKSA-N 1 3 314.430 -0.781 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000423511680 380340750 /nfs/dbraw/zinc/34/07/50/380340750.db2.gz AUEYHSFJZWEFLL-OLZOCXBDSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423510820 380340844 /nfs/dbraw/zinc/34/08/44/380340844.db2.gz OGFYWFBWBSHDAG-OLZOCXBDSA-N 1 3 308.426 -0.393 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423503379 380341616 /nfs/dbraw/zinc/34/16/16/380341616.db2.gz KQHMJEBFXBWWSM-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)[C@H]1CCN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000643509339 380506314 /nfs/dbraw/zinc/50/63/14/380506314.db2.gz BEQMFPKXMBAIBH-BBRMVZONSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643513437 380531025 /nfs/dbraw/zinc/53/10/25/380531025.db2.gz SSFVCVQGQFGYLG-CJNGLKHVSA-N 1 3 306.410 -0.495 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643516810 380542905 /nfs/dbraw/zinc/54/29/05/380542905.db2.gz XNNGMHUZBJEDFP-JKIFEVAISA-N 1 3 320.437 -0.107 20 0 DBADHO CS(=O)(=O)N1CC[C@@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629572504 380693563 /nfs/dbraw/zinc/69/35/63/380693563.db2.gz VCEXHQMMDVUWGA-STQMWFEESA-N 1 3 305.444 -0.686 20 0 DBADHO C[C@H]1C[NH2+]CC[C@H]1CN1CCN(C(=O)N2CCNCC2)CC1 ZINC000629650522 380701995 /nfs/dbraw/zinc/70/19/95/380701995.db2.gz VJHUXJQVLAYHGG-GJZGRUSLSA-N 1 3 309.458 -0.125 20 0 DBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000629795675 380723383 /nfs/dbraw/zinc/72/33/83/380723383.db2.gz KUXCYIVRABFLSM-ZDUSSCGKSA-N 1 3 312.414 -0.883 20 0 DBADHO CCN(CC[NH3+])C(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000629798177 380724883 /nfs/dbraw/zinc/72/48/83/380724883.db2.gz IUXYHHZWUVHESB-UHFFFAOYSA-N 1 3 310.398 -0.023 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)C[C@@H]21 ZINC000629823703 380736649 /nfs/dbraw/zinc/73/66/49/380736649.db2.gz KADYEVUIBNNRCD-GFOFROLCSA-N 1 3 320.437 -0.393 20 0 DBADHO NS(=O)(=O)CCCN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000641799841 380971740 /nfs/dbraw/zinc/97/17/40/380971740.db2.gz RARUQQWCZCVLIP-STQMWFEESA-N 1 3 305.444 -0.117 20 0 DBADHO Cn1c2ncn(CCN[C@H]3C[C@@H]([NH3+])C3(C)C)c2c(=O)n(C)c1=O ZINC000641802112 380974621 /nfs/dbraw/zinc/97/46/21/380974621.db2.gz IDDQSUUKYMDXTI-ZJUUUORDSA-N 1 3 320.397 -0.851 20 0 DBADHO Cn1c2ncn(CC[NH2+][C@H]3C[C@@H](N)C3(C)C)c2c(=O)n(C)c1=O ZINC000641802112 380974626 /nfs/dbraw/zinc/97/46/26/380974626.db2.gz IDDQSUUKYMDXTI-ZJUUUORDSA-N 1 3 320.397 -0.851 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642015676 380981979 /nfs/dbraw/zinc/98/19/79/380981979.db2.gz NDVRNXDKUHPBBT-AWEZNQCLSA-N 1 3 305.382 -0.098 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626974257 381043501 /nfs/dbraw/zinc/04/35/01/381043501.db2.gz DIYMFBDROBKNKS-CYBMUJFWSA-N 1 3 314.430 -0.096 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[NH2+]1 ZINC000627210066 381147589 /nfs/dbraw/zinc/14/75/89/381147589.db2.gz LJMNXNCFVROXOG-RUZUBIRVSA-N 1 3 306.414 -0.003 20 0 DBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1COCCN1 ZINC000627189758 381130000 /nfs/dbraw/zinc/13/00/00/381130000.db2.gz ZCEDZIDEZWXZCS-CQSZACIVSA-N 1 3 315.462 -0.500 20 0 DBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)NC[C@@H]1COCCN1 ZINC000627189758 381130008 /nfs/dbraw/zinc/13/00/08/381130008.db2.gz ZCEDZIDEZWXZCS-CQSZACIVSA-N 1 3 315.462 -0.500 20 0 DBADHO CN(CCCN(C)C(=O)NC[C@@H]1COCCN1)CC[NH+](C)C ZINC000627189758 381130017 /nfs/dbraw/zinc/13/00/17/381130017.db2.gz ZCEDZIDEZWXZCS-CQSZACIVSA-N 1 3 315.462 -0.500 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000627238824 381246494 /nfs/dbraw/zinc/24/64/94/381246494.db2.gz PCMDZQAWUZJKBA-UONOGXRCSA-N 1 3 323.441 -0.314 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000126275086 381330530 /nfs/dbraw/zinc/33/05/30/381330530.db2.gz PPTVKSIHCJLICH-HIFRSBDPSA-N 1 3 316.446 -0.291 20 0 DBADHO CN(C)C[C@H](CO)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614854217 381356473 /nfs/dbraw/zinc/35/64/73/381356473.db2.gz LMMNZHIDKDZJCB-NVXWUHKLSA-N 1 3 321.421 -0.338 20 0 DBADHO CN(C)C[C@H](CO)NC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000614854217 381356477 /nfs/dbraw/zinc/35/64/77/381356477.db2.gz LMMNZHIDKDZJCB-NVXWUHKLSA-N 1 3 321.421 -0.338 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@H+](C)C1CC1 ZINC000073331391 381435214 /nfs/dbraw/zinc/43/52/14/381435214.db2.gz AXFSZQWTIGZFQQ-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@@H+](C)C1CC1 ZINC000073331391 381435216 /nfs/dbraw/zinc/43/52/16/381435216.db2.gz AXFSZQWTIGZFQQ-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(NC[C@H]1CCCN(CCn2cncn2)C1)[C@H]1CCC[NH2+]1 ZINC000262515442 381628491 /nfs/dbraw/zinc/62/84/91/381628491.db2.gz NLUCDWPWSGIFCO-ZIAGYGMSSA-N 1 3 306.414 -0.142 20 0 DBADHO CN1CC[C@@H]2CCN(C(=O)CCNC(=O)[C@H]3CCC[NH2+]3)[C@@H]2C1 ZINC000566008249 381634852 /nfs/dbraw/zinc/63/48/52/381634852.db2.gz SGZWHWRXMXCEJM-MGPQQGTHSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+](CCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000566507728 381660936 /nfs/dbraw/zinc/66/09/36/381660936.db2.gz AOAFTVUXAQPIND-ZIAGYGMSSA-N 1 3 323.441 -0.186 20 0 DBADHO C[N@@H+](CCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CC1 ZINC000566507728 381660942 /nfs/dbraw/zinc/66/09/42/381660942.db2.gz AOAFTVUXAQPIND-ZIAGYGMSSA-N 1 3 323.441 -0.186 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000566512789 381663110 /nfs/dbraw/zinc/66/31/10/381663110.db2.gz PFPIZRNEJGOAIP-CYZMBNFOSA-N 1 3 307.398 -0.824 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000566512789 381663114 /nfs/dbraw/zinc/66/31/14/381663114.db2.gz PFPIZRNEJGOAIP-CYZMBNFOSA-N 1 3 307.398 -0.824 20 0 DBADHO COCC[NH2+]C1CCN(C(=O)NCCN(C)CCOC)CC1 ZINC000566801656 381671326 /nfs/dbraw/zinc/67/13/26/381671326.db2.gz AVLHPGATWMIIIK-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NCCNc1ccncc1 ZINC000567786888 381714797 /nfs/dbraw/zinc/71/47/97/381714797.db2.gz RNRBQKHBOATPAS-ZDUSSCGKSA-N 1 3 305.382 -0.710 20 0 DBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566925851 381676150 /nfs/dbraw/zinc/67/61/50/381676150.db2.gz FBOQPNIWKAKRTO-ZZVYKPCYSA-N 1 3 321.425 -0.578 20 0 DBADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566925851 381676154 /nfs/dbraw/zinc/67/61/54/381676154.db2.gz FBOQPNIWKAKRTO-ZZVYKPCYSA-N 1 3 321.425 -0.578 20 0 DBADHO O=C(CC[NH2+]C1CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000568410913 381758616 /nfs/dbraw/zinc/75/86/16/381758616.db2.gz BQFVQYIPLFTZQF-UHFFFAOYSA-N 1 3 308.426 -0.105 20 0 DBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000568110349 381737752 /nfs/dbraw/zinc/73/77/52/381737752.db2.gz VFIKWJKKDZCLAB-ZDUSSCGKSA-N 1 3 308.426 -0.059 20 0 DBADHO N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000573246164 381820717 /nfs/dbraw/zinc/82/07/17/381820717.db2.gz XAALCJQSMVGNGW-LSDHHAIUSA-N 1 3 318.421 -0.130 20 0 DBADHO C[C@@H]1CN(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C[C@@]1(C)C[NH3+] ZINC000573340287 381823592 /nfs/dbraw/zinc/82/35/92/381823592.db2.gz QKPLHODTHHVACD-OXJKWZBOSA-N 1 3 309.414 -0.733 20 0 DBADHO C[C@@H]1CN(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[C@@]1(C)C[NH3+] ZINC000573340288 381823606 /nfs/dbraw/zinc/82/36/06/381823606.db2.gz QKPLHODTHHVACD-RTWAVKEYSA-N 1 3 309.414 -0.733 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1N(C)C ZINC000573793509 381840341 /nfs/dbraw/zinc/84/03/41/381840341.db2.gz YVQTUJSLGMXQOB-KEYYUXOJSA-N 1 3 322.453 -0.003 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)C[C@@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000573817719 381842938 /nfs/dbraw/zinc/84/29/38/381842938.db2.gz ZQAUIWSUCSXZPF-BFHYXJOUSA-N 1 3 302.378 -0.153 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CCN2C1=O ZINC000574703231 381876459 /nfs/dbraw/zinc/87/64/59/381876459.db2.gz AWDFOSDMTJWNQN-RDBSUJKOSA-N 1 3 320.368 -0.362 20 0 DBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000574292112 381860016 /nfs/dbraw/zinc/86/00/16/381860016.db2.gz MCOCWBYKSIRICD-REWJHTLYSA-N 1 3 323.441 -0.187 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000576146855 381913142 /nfs/dbraw/zinc/91/31/42/381913142.db2.gz IFILJKHEPPVULX-XDQVBPFNSA-N 1 3 308.426 -0.265 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000578347351 382013293 /nfs/dbraw/zinc/01/32/93/382013293.db2.gz AWCYRFLZVKZIHT-MGPQQGTHSA-N 1 3 306.410 -0.497 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000579244394 382058311 /nfs/dbraw/zinc/05/83/11/382058311.db2.gz NLJFJQOUIWXLST-GUTXKFCHSA-N 1 3 310.442 -0.066 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000579244404 382058505 /nfs/dbraw/zinc/05/85/05/382058505.db2.gz NLJFJQOUIWXLST-NFAWXSAZSA-N 1 3 310.442 -0.066 20 0 DBADHO CC[NH+]1CCC(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000578768073 382034561 /nfs/dbraw/zinc/03/45/61/382034561.db2.gz MSRRLYOVASOHBL-KBPBESRZSA-N 1 3 323.441 -0.328 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578878378 382038023 /nfs/dbraw/zinc/03/80/23/382038023.db2.gz PZNVZLKUTMJEEI-LXTVHRRPSA-N 1 3 320.437 -0.251 20 0 DBADHO CS[C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000579998755 382108253 /nfs/dbraw/zinc/10/82/53/382108253.db2.gz LXSHKILNMIZXOP-GFCCVEGCSA-N 1 3 318.487 -0.194 20 0 DBADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000581022438 382125977 /nfs/dbraw/zinc/12/59/77/382125977.db2.gz VRQRCBZILNSXDP-SOUVJXGZSA-N 1 3 313.442 -0.087 20 0 DBADHO CC(C)[C@H](CNC(=O)CCOC1C[NH2+]C1)N1CCN(C)CC1 ZINC000579829271 382093092 /nfs/dbraw/zinc/09/30/92/382093092.db2.gz BHBJGMGQRWWGFL-HNNXBMFYSA-N 1 3 312.458 -0.247 20 0 DBADHO CCN1C[C@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)CC1=O ZINC000579927116 382100739 /nfs/dbraw/zinc/10/07/39/382100739.db2.gz WWGOBBPSJHJFFQ-CYBMUJFWSA-N 1 3 313.446 -0.258 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)n1 ZINC000581141123 382132331 /nfs/dbraw/zinc/13/23/31/382132331.db2.gz RIRQPXCZNAPNNT-MRXNPFEDSA-N 1 3 321.425 -0.369 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000581243082 382135594 /nfs/dbraw/zinc/13/55/94/382135594.db2.gz GQGHFUACTMRVIJ-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO COC(=O)C[C@H](N)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000581249585 382137157 /nfs/dbraw/zinc/13/71/57/382137157.db2.gz KOABEUPHNULIPY-ZDUSSCGKSA-N 1 3 314.430 -0.733 20 0 DBADHO COC(=O)C[C@H](N)C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000581249585 382137168 /nfs/dbraw/zinc/13/71/68/382137168.db2.gz KOABEUPHNULIPY-ZDUSSCGKSA-N 1 3 314.430 -0.733 20 0 DBADHO CN1CCC(NC(=O)C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000627291012 382346225 /nfs/dbraw/zinc/34/62/25/382346225.db2.gz IEYFGWXXTHKCJI-IYBDPMFKSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CCCO1 ZINC000627297026 382358645 /nfs/dbraw/zinc/35/86/45/382358645.db2.gz ZTIFRODARLBXQR-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1C ZINC000627305155 382446009 /nfs/dbraw/zinc/44/60/09/382446009.db2.gz PIECJMGNQIRMHC-JHJVBQTASA-N 1 3 308.426 -0.014 20 0 DBADHO C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)CCO1 ZINC000620972158 382460789 /nfs/dbraw/zinc/46/07/89/382460789.db2.gz XUTGZZABLBFUKN-CVEARBPZSA-N 1 3 324.469 -0.055 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627320662 382489730 /nfs/dbraw/zinc/48/97/30/382489730.db2.gz KHRPGWALEPKGLQ-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO CS(=O)(=O)C1(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CCNCC1 ZINC000621699276 382499349 /nfs/dbraw/zinc/49/93/49/382499349.db2.gz QKBYTSOKQJFLCK-AAEUAGOBSA-N 1 3 315.439 -0.507 20 0 DBADHO CS(=O)(=O)C1(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCNCC1 ZINC000621699278 382500788 /nfs/dbraw/zinc/50/07/88/382500788.db2.gz QKBYTSOKQJFLCK-WCQYABFASA-N 1 3 315.439 -0.507 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)C[C@@H]21 ZINC000622031558 382539558 /nfs/dbraw/zinc/53/95/58/382539558.db2.gz PJGDSFSRBOXUKZ-NFFDBFGFSA-N 1 3 306.410 -0.511 20 0 DBADHO C[C@@H](NC1CN(S(=O)(=O)N(C)C)C1)C1CC[NH+](C)CC1 ZINC000624281124 382608269 /nfs/dbraw/zinc/60/82/69/382608269.db2.gz ZYBOPADMGOSBBQ-LLVKDONJSA-N 1 3 304.460 -0.203 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627488825 382633717 /nfs/dbraw/zinc/63/37/17/382633717.db2.gz JTUBYCLJXDMWIM-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCOCCC[NH3+] ZINC000627357407 382618283 /nfs/dbraw/zinc/61/82/83/382618283.db2.gz FSZCXAIECRHOAV-ZDUSSCGKSA-N 1 3 314.430 -0.541 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@H](C)C1=CCN(C)CC1 ZINC000627376911 382620377 /nfs/dbraw/zinc/62/03/77/382620377.db2.gz RVUPOYKSCWDTDO-GFCCVEGCSA-N 1 3 312.414 -0.895 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000627389997 382621654 /nfs/dbraw/zinc/62/16/54/382621654.db2.gz YBIYCCQYTKEKMJ-IYBDPMFKSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627393973 382622418 /nfs/dbraw/zinc/62/24/18/382622418.db2.gz RQFREOLXXISCRB-LBPRGKRZSA-N 1 3 312.414 -0.918 20 0 DBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627444211 382627232 /nfs/dbraw/zinc/62/72/32/382627232.db2.gz DHPIWXFQSPXIOB-CHWSQXEVSA-N 1 3 308.426 -0.012 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627452744 382627902 /nfs/dbraw/zinc/62/79/02/382627902.db2.gz SJSNGVAOKJEMLH-LBPRGKRZSA-N 1 3 312.414 -0.837 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627502450 382634730 /nfs/dbraw/zinc/63/47/30/382634730.db2.gz XMFFRKHFIODVFY-RFQIPJPRSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[NH2+]1 ZINC000627478148 382631892 /nfs/dbraw/zinc/63/18/92/382631892.db2.gz IGQZCODKTLOERM-SYQHCUMBSA-N 1 3 308.426 -0.062 20 0 DBADHO CN(C)CCCS(=O)(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000631902880 382653214 /nfs/dbraw/zinc/65/32/14/382653214.db2.gz SXSDLURZTMCQIH-LBPRGKRZSA-N 1 3 320.459 -0.945 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(S(=O)(=O)CCCN2CCCC2)CCO1 ZINC000631907522 382653585 /nfs/dbraw/zinc/65/35/85/382653585.db2.gz MPZPAEXLSUULQT-QWHCGFSZSA-N 1 3 305.444 -0.150 20 0 DBADHO O=S(=O)(CCCN1CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000631941144 382656206 /nfs/dbraw/zinc/65/62/06/382656206.db2.gz PFXNZISRLUJWLD-CYBMUJFWSA-N 1 3 305.444 -0.230 20 0 DBADHO CCN1CCN([C@H](C)CNS(=O)(=O)CCC[NH+](C)C)CC1 ZINC000632253985 382665140 /nfs/dbraw/zinc/66/51/40/382665140.db2.gz HCBIENLPNXCUFI-CQSZACIVSA-N 1 3 320.503 -0.117 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633085768 382681372 /nfs/dbraw/zinc/68/13/72/382681372.db2.gz GLZUJJFYHITTNO-IHRRRGAJSA-N 1 3 324.425 -0.872 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633102966 382683076 /nfs/dbraw/zinc/68/30/76/382683076.db2.gz JIWZKMLOQGTFFY-MJBXVCDLSA-N 1 3 308.426 -0.110 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CC2(N(C)C)CCC2)C[C@H]1C[NH3+] ZINC000633103705 382683109 /nfs/dbraw/zinc/68/31/09/382683109.db2.gz RIUWSFIDTIPKEE-CHWSQXEVSA-N 1 3 310.442 -0.018 20 0 DBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000646803576 391941788 /nfs/dbraw/zinc/94/17/88/391941788.db2.gz QICWFJPXXUDDJU-NWDGAFQWSA-N 1 3 319.413 -0.212 20 0 DBADHO C[NH+](C)C1CCN(CCNC(=O)CNC[C@H]2CCCO2)CC1 ZINC000237082795 391976781 /nfs/dbraw/zinc/97/67/81/391976781.db2.gz HUVMJQLNVLXLJO-OAHLLOKOSA-N 1 3 312.458 -0.103 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000649320383 392034525 /nfs/dbraw/zinc/03/45/25/392034525.db2.gz YBSFHJZYIXYVCC-MCIONIFRSA-N 1 3 306.410 -0.497 20 0 DBADHO CCN1CCN(CCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649350665 392048572 /nfs/dbraw/zinc/04/85/72/392048572.db2.gz XHEDKLBCSRNRRI-LBPRGKRZSA-N 1 3 304.385 -0.015 20 0 DBADHO O=C([C@@H]1CNCCC1(F)F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000648136344 392359698 /nfs/dbraw/zinc/35/96/98/392359698.db2.gz ZXDHKFLLDMSIIH-NEPJUHHUSA-N 1 3 302.369 -0.263 20 0 DBADHO C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418849304 392360920 /nfs/dbraw/zinc/36/09/20/392360920.db2.gz CZPSLERWYONLSK-HNNXBMFYSA-N 1 3 320.437 -0.047 20 0 DBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@@H]2C1(C)C ZINC000647080749 392413784 /nfs/dbraw/zinc/41/37/84/392413784.db2.gz INYAJJGGMAISHB-NFFDBFGFSA-N 1 3 310.442 -0.461 20 0 DBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)NC2CNC2)C1 ZINC000557297303 392434671 /nfs/dbraw/zinc/43/46/71/392434671.db2.gz IZFBIBLGXMJMAN-ZDUSSCGKSA-N 1 3 312.414 -0.966 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419452232 392443354 /nfs/dbraw/zinc/44/33/54/392443354.db2.gz OWCGDKIWJUSOES-STQMWFEESA-N 1 3 314.430 -0.543 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1cccn1C ZINC000559863382 392513020 /nfs/dbraw/zinc/51/30/20/392513020.db2.gz ARGYLQQJFIZWSX-UHFFFAOYSA-N 1 3 323.441 -0.407 20 0 DBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@H]21 ZINC000317568917 392610751 /nfs/dbraw/zinc/61/07/51/392610751.db2.gz LJJJINPNDAJBIZ-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@H]21 ZINC000317568917 392610756 /nfs/dbraw/zinc/61/07/56/392610756.db2.gz LJJJINPNDAJBIZ-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@@H]21 ZINC000317568912 392611149 /nfs/dbraw/zinc/61/11/49/392611149.db2.gz LJJJINPNDAJBIZ-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCCNCC3)CC[C@@H]21 ZINC000317568912 392611155 /nfs/dbraw/zinc/61/11/55/392611155.db2.gz LJJJINPNDAJBIZ-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@]1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCC[NH2+]C1 ZINC000566508758 392548770 /nfs/dbraw/zinc/54/87/70/392548770.db2.gz LLAZNTONBRZMAZ-JMSVASOKSA-N 1 3 309.414 -0.671 20 0 DBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000647597741 392652240 /nfs/dbraw/zinc/65/22/40/392652240.db2.gz KRUSWUGFFXDFMP-STQMWFEESA-N 1 3 319.409 -0.028 20 0 DBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000647595191 392652350 /nfs/dbraw/zinc/65/23/50/392652350.db2.gz RYMQIRHMUICLJQ-MISXGVKJSA-N 1 3 316.471 -0.218 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(c2ccncc2)CC1 ZINC000645222305 392891500 /nfs/dbraw/zinc/89/15/00/392891500.db2.gz WTLXRUBISDYWBH-CQSZACIVSA-N 1 3 317.393 -0.402 20 0 DBADHO [NH3+]CCCn1cc(C(=O)N2CCN(c3ccncc3)CC2)nn1 ZINC000645222213 392892201 /nfs/dbraw/zinc/89/22/01/392892201.db2.gz VXXHVUSFFYZTRS-UHFFFAOYSA-N 1 3 315.381 -0.016 20 0 DBADHO CN(CCN1C(=O)NC2(CCCC2)C1=O)CCN1CC[NH2+]CC1 ZINC000647835708 392902532 /nfs/dbraw/zinc/90/25/32/392902532.db2.gz JXWXNNWZUWEHLB-UHFFFAOYSA-N 1 3 323.441 -0.312 20 0 DBADHO CCS(=O)(=O)NCCCN1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000647828795 392903108 /nfs/dbraw/zinc/90/31/08/392903108.db2.gz QZJKNOZZWFJHAZ-LBPRGKRZSA-N 1 3 320.459 -0.897 20 0 DBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(N)[C@H]2CCCO[C@@H]2C1(C)C ZINC000647777703 392872368 /nfs/dbraw/zinc/87/23/68/392872368.db2.gz XLEAOPWLPCHZQY-GRDNDAEWSA-N 1 3 324.469 -0.118 20 0 DBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000647777702 392872699 /nfs/dbraw/zinc/87/26/99/392872699.db2.gz XLEAOPWLPCHZQY-CKEIUWERSA-N 1 3 324.469 -0.118 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)CN2CCNCC2)CC[C@H]1C(F)(F)F ZINC000638563305 392966977 /nfs/dbraw/zinc/96/69/77/392966977.db2.gz OBCAISREAXWYNJ-GHMZBOCLSA-N 1 3 308.348 -0.123 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417570844 393060427 /nfs/dbraw/zinc/06/04/27/393060427.db2.gz SGTQZSDBJJBLNQ-KBPBESRZSA-N 1 3 314.430 -0.225 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000349934262 393226109 /nfs/dbraw/zinc/22/61/09/393226109.db2.gz NUCHDHOQTYTNHU-CQSZACIVSA-N 1 3 307.398 -0.065 20 0 DBADHO COCCN1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351568892 393286602 /nfs/dbraw/zinc/28/66/02/393286602.db2.gz MQDUKMGJAXSONT-CYBMUJFWSA-N 1 3 312.414 -0.918 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C[C@H]1[NH3+] ZINC000332129184 393327353 /nfs/dbraw/zinc/32/73/53/393327353.db2.gz BMVCJWGPAXYNHX-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+](C[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000351493296 393275934 /nfs/dbraw/zinc/27/59/34/393275934.db2.gz VGQXLTCEDFDNKC-MRXNPFEDSA-N 1 3 324.469 -0.319 20 0 DBADHO C[N@@H+](C[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000351493296 393275940 /nfs/dbraw/zinc/27/59/40/393275940.db2.gz VGQXLTCEDFDNKC-MRXNPFEDSA-N 1 3 324.469 -0.319 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CCN1C(=O)CCC1=O ZINC000103211248 393404897 /nfs/dbraw/zinc/40/48/97/393404897.db2.gz PQKLPFFHOYRFBF-UHFFFAOYSA-N 1 3 312.414 -0.523 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362971540 393449700 /nfs/dbraw/zinc/44/97/00/393449700.db2.gz VVKXEOKCJOBNMD-ZIAGYGMSSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN(C)CCNC(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000362971540 393449710 /nfs/dbraw/zinc/44/97/10/393449710.db2.gz VVKXEOKCJOBNMD-ZIAGYGMSSA-N 1 3 314.430 -0.273 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419095032 393543228 /nfs/dbraw/zinc/54/32/28/393543228.db2.gz CASKXVAKKYOBQI-CMPLNLGQSA-N 1 3 312.414 -0.574 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419095032 393543230 /nfs/dbraw/zinc/54/32/30/393543230.db2.gz CASKXVAKKYOBQI-CMPLNLGQSA-N 1 3 312.414 -0.574 20 0 DBADHO COCCN1CCC(NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000123685341 393504078 /nfs/dbraw/zinc/50/40/78/393504078.db2.gz AHMLEOOEKHOREI-OAHLLOKOSA-N 1 3 316.446 -0.291 20 0 DBADHO C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418828144 393506776 /nfs/dbraw/zinc/50/67/76/393506776.db2.gz CTDBAXRXJQWHKA-TZMCWYRMSA-N 1 3 306.410 -0.261 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418829886 393508074 /nfs/dbraw/zinc/50/80/74/393508074.db2.gz DUXIWPHIUSFLMA-AWEZNQCLSA-N 1 3 306.410 -0.389 20 0 DBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000418842811 393512153 /nfs/dbraw/zinc/51/21/53/393512153.db2.gz BVQMYGKLSBKPSP-AWEZNQCLSA-N 1 3 306.410 -0.307 20 0 DBADHO C[C@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419031061 393535843 /nfs/dbraw/zinc/53/58/43/393535843.db2.gz UTOSCAFTDHXUBV-FRRDWIJNSA-N 1 3 310.442 -0.195 20 0 DBADHO CC[C@H]1CCCCN1CCNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419084101 393538091 /nfs/dbraw/zinc/53/80/91/393538091.db2.gz YAARWKAGGVAMGG-ZDUSSCGKSA-N 1 3 314.430 -0.853 20 0 DBADHO CC[C@@H]1CCCCN1CCNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419084100 393538619 /nfs/dbraw/zinc/53/86/19/393538619.db2.gz YAARWKAGGVAMGG-CYBMUJFWSA-N 1 3 314.430 -0.853 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000419418240 393574312 /nfs/dbraw/zinc/57/43/12/393574312.db2.gz YAUVFFZGSYYXHZ-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419431777 393576863 /nfs/dbraw/zinc/57/68/63/393576863.db2.gz XTFUXINEBINMFD-QWHCGFSZSA-N 1 3 312.414 -0.837 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000423583230 393601261 /nfs/dbraw/zinc/60/12/61/393601261.db2.gz BVNHLNNEYLJIBI-QWHCGFSZSA-N 1 3 312.414 -0.886 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419447466 393579625 /nfs/dbraw/zinc/57/96/25/393579625.db2.gz HGVCHGSKGAJYQL-STQMWFEESA-N 1 3 314.430 -0.733 20 0 DBADHO CCN(CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC000419525300 393586154 /nfs/dbraw/zinc/58/61/54/393586154.db2.gz RMFOZFJQLRZCNU-OLZOCXBDSA-N 1 3 308.426 -0.345 20 0 DBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419590586 393590769 /nfs/dbraw/zinc/59/07/69/393590769.db2.gz UILXXDSYVABUBH-FZMZJTMJSA-N 1 3 316.471 -0.361 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N(C)C1CC1 ZINC000419592042 393591126 /nfs/dbraw/zinc/59/11/26/393591126.db2.gz RMYPDQDQAVGAFI-FRRDWIJNSA-N 1 3 308.426 -0.347 20 0 DBADHO COCCN(C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424139446 393628794 /nfs/dbraw/zinc/62/87/94/393628794.db2.gz AMEIZRAWKUZFSO-GFCCVEGCSA-N 1 3 310.402 -0.489 20 0 DBADHO O=C(N[C@H]1CNCCC1(F)F)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424199658 393633124 /nfs/dbraw/zinc/63/31/24/393633124.db2.gz ZDUCUKRJMNVUSB-ONGXEEELSA-N 1 3 314.340 -0.070 20 0 DBADHO COCC(C)(C)[NH+]1CCN(CCC(=O)N2CCNCC2)CC1 ZINC000424328798 393637166 /nfs/dbraw/zinc/63/71/66/393637166.db2.gz FSVYZKHMCONEIE-UHFFFAOYSA-N 1 3 312.458 -0.149 20 0 DBADHO CN1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]3COCCN3)C2)CC1 ZINC000645978142 393737890 /nfs/dbraw/zinc/73/78/90/393737890.db2.gz UEALQRNNRLPEIL-ZIAGYGMSSA-N 1 3 310.442 -0.350 20 0 DBADHO CN1CCC([N@H+]2CC[C@@H](NC(=O)C[C@@H]3COCCN3)C2)CC1 ZINC000645978142 393737891 /nfs/dbraw/zinc/73/78/91/393737891.db2.gz UEALQRNNRLPEIL-ZIAGYGMSSA-N 1 3 310.442 -0.350 20 0 DBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)C[C@@H]3COCCN3)C2)CC1 ZINC000645978142 393737892 /nfs/dbraw/zinc/73/78/92/393737892.db2.gz UEALQRNNRLPEIL-ZIAGYGMSSA-N 1 3 310.442 -0.350 20 0 DBADHO COC[C@@]1(C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)CC[NH2+]C1 ZINC000646002914 393740293 /nfs/dbraw/zinc/74/02/93/393740293.db2.gz JNDNHDGJFGUMGL-NVXWUHKLSA-N 1 3 324.469 -0.149 20 0 DBADHO CN(C)CCNC(=O)c1cccc(CNC(=O)COCC[NH3+])c1 ZINC000645896668 393726349 /nfs/dbraw/zinc/72/63/49/393726349.db2.gz PTMVWGIZXIZHGZ-UHFFFAOYSA-N 1 3 322.409 -0.431 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[C@H]1C[NH3+] ZINC000633021758 409796959 /nfs/dbraw/zinc/79/69/59/409796959.db2.gz CGSUJIDTXUGGQD-VXGBXAGGSA-N 1 3 322.413 -0.564 20 0 DBADHO O=C1CNCCN1[C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266768 411628564 /nfs/dbraw/zinc/62/85/64/411628564.db2.gz OWJOQIUHPALOQS-KGLIPLIRSA-N 1 3 308.426 -0.596 20 0 DBADHO CN(C)CCN(Cc1ccccn1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662528869 411639153 /nfs/dbraw/zinc/63/91/53/411639153.db2.gz GXITUNMWTWAWGO-UHFFFAOYSA-N 1 3 317.397 -0.164 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCNC1=O ZINC000663913340 411685774 /nfs/dbraw/zinc/68/57/74/411685774.db2.gz URLXVJNQTLVUGW-STQMWFEESA-N 1 3 313.446 -0.164 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CCCNC1=O ZINC000663913340 411685779 /nfs/dbraw/zinc/68/57/79/411685779.db2.gz URLXVJNQTLVUGW-STQMWFEESA-N 1 3 313.446 -0.164 20 0 DBADHO NC[C@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C(F)(F)F ZINC000655516318 411792344 /nfs/dbraw/zinc/79/23/44/411792344.db2.gz SQKCQJWPNLUEMO-APPZFPTMSA-N 1 3 306.292 -0.351 20 0 DBADHO NC[C@@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C(F)(F)F ZINC000655516321 411792869 /nfs/dbraw/zinc/79/28/69/411792869.db2.gz SQKCQJWPNLUEMO-VXNVDRBHSA-N 1 3 306.292 -0.351 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cn1 ZINC000652624633 411806379 /nfs/dbraw/zinc/80/63/79/411806379.db2.gz LXEAWLAMLGVDSB-GFCCVEGCSA-N 1 3 322.413 -0.359 20 0 DBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cnn(CCN(C)C)c2)C1 ZINC000652621724 411806429 /nfs/dbraw/zinc/80/64/29/411806429.db2.gz SGYDBFDJNLHMQB-GFCCVEGCSA-N 1 3 322.413 -0.406 20 0 DBADHO CCO[C@@H]1CN(C(=O)C(=O)NC2CCN(C)CC2)C[C@H]1C[NH3+] ZINC000652666636 411810817 /nfs/dbraw/zinc/81/08/17/411810817.db2.gz NWYCEGUOMLFREO-DGCLKSJQSA-N 1 3 312.414 -0.981 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC1=CC[NH2+]CC1 ZINC000652703166 411819379 /nfs/dbraw/zinc/81/93/79/411819379.db2.gz MAZMCDKCHFSDJY-UHFFFAOYSA-N 1 3 308.426 -0.033 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000652703703 411819992 /nfs/dbraw/zinc/81/99/92/411819992.db2.gz XPBLSDKYVLHAPY-UHFFFAOYSA-N 1 3 314.430 -0.717 20 0 DBADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCCC2)C1 ZINC000652732104 411826268 /nfs/dbraw/zinc/82/62/68/411826268.db2.gz CBTPQMFLZKZIPT-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO CN(C)CCN1CCN(C(=O)CC2CC[NH+](C)CC2)CC1=O ZINC000652734299 411826674 /nfs/dbraw/zinc/82/66/74/411826674.db2.gz DVATUDAISFAIQO-UHFFFAOYSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000659513816 411827851 /nfs/dbraw/zinc/82/78/51/411827851.db2.gz KAHWUVCTIJLLNE-CYBMUJFWSA-N 1 3 313.446 -0.353 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000659638611 411854624 /nfs/dbraw/zinc/85/46/24/411854624.db2.gz UFGOFDLHNIMRHR-QWHCGFSZSA-N 1 3 311.430 -0.458 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659647849 411857471 /nfs/dbraw/zinc/85/74/71/411857471.db2.gz XUIFXHDFLIYLSI-CYBMUJFWSA-N 1 3 313.446 -0.210 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000653766516 411895625 /nfs/dbraw/zinc/89/56/25/411895625.db2.gz FXHQFQVIIUCEPE-KKUMJFAQSA-N 1 3 303.447 -0.688 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)N(CCO)C[C@@H]1C ZINC000653766516 411895628 /nfs/dbraw/zinc/89/56/28/411895628.db2.gz FXHQFQVIIUCEPE-KKUMJFAQSA-N 1 3 303.447 -0.688 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)N(CCO)C[C@H]1C ZINC000653766517 411896115 /nfs/dbraw/zinc/89/61/15/411896115.db2.gz FXHQFQVIIUCEPE-ZNMIVQPWSA-N 1 3 303.447 -0.688 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](C)N(CCO)C[C@H]1C ZINC000653766517 411896118 /nfs/dbraw/zinc/89/61/18/411896118.db2.gz FXHQFQVIIUCEPE-ZNMIVQPWSA-N 1 3 303.447 -0.688 20 0 DBADHO C[C@@H](CCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1)[NH+](C)C ZINC000658423808 411903362 /nfs/dbraw/zinc/90/33/62/411903362.db2.gz KGSXHGMFVCYJND-LBPRGKRZSA-N 1 3 324.429 -0.160 20 0 DBADHO C[NH+](C)CCn1cc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cn1 ZINC000654013075 411929112 /nfs/dbraw/zinc/92/91/12/411929112.db2.gz RDYGDZTVFDVWBW-UONOGXRCSA-N 1 3 322.413 -0.273 20 0 DBADHO COCC[N@H+](C)CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654381613 411934173 /nfs/dbraw/zinc/93/41/73/411934173.db2.gz PFOQLGTVKSXULQ-UONOGXRCSA-N 1 3 314.430 -0.585 20 0 DBADHO COCC[N@@H+](C)CCCNC(=O)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654381613 411934176 /nfs/dbraw/zinc/93/41/76/411934176.db2.gz PFOQLGTVKSXULQ-UONOGXRCSA-N 1 3 314.430 -0.585 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN1CCN(CCO)C(C)(C)C1 ZINC000653632778 411882807 /nfs/dbraw/zinc/88/28/07/411882807.db2.gz ADWAHKDCBNEQFH-CQSZACIVSA-N 1 3 303.447 -0.686 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN(CCO)C(C)(C)C1 ZINC000653632778 411882812 /nfs/dbraw/zinc/88/28/12/411882812.db2.gz ADWAHKDCBNEQFH-CQSZACIVSA-N 1 3 303.447 -0.686 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656023966 411989162 /nfs/dbraw/zinc/98/91/62/411989162.db2.gz JSIGEEUOWBZATF-BFHYXJOUSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656023966 411989164 /nfs/dbraw/zinc/98/91/64/411989164.db2.gz JSIGEEUOWBZATF-BFHYXJOUSA-N 1 3 324.425 -0.776 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000656028371 411990295 /nfs/dbraw/zinc/99/02/95/411990295.db2.gz KNQBNVPANLVWEN-RDBSUJKOSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656028432 411990871 /nfs/dbraw/zinc/99/08/71/411990871.db2.gz LBCDRNGRDFRRSQ-HZSPNIEDSA-N 1 3 324.425 -0.694 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656028439 411990997 /nfs/dbraw/zinc/99/09/97/411990997.db2.gz LBCDRNGRDFRRSQ-RDBSUJKOSA-N 1 3 324.425 -0.694 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656086296 411994378 /nfs/dbraw/zinc/99/43/78/411994378.db2.gz VOQZMOKSVNFXOY-MELADBBJSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(C(=O)C(=O)N(C)CC1CN(C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000658821148 412071558 /nfs/dbraw/zinc/07/15/58/412071558.db2.gz JPSZQKNVUKCCPH-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(C(=O)C(=O)N(C)CC1CN(C)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000658821148 412071561 /nfs/dbraw/zinc/07/15/61/412071561.db2.gz JPSZQKNVUKCCPH-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCNC(=O)C(=O)Nc1ccc([C@H]2CNCCO2)cc1 ZINC000659080486 412078069 /nfs/dbraw/zinc/07/80/69/412078069.db2.gz RPFJBGLZULKYLA-CQSZACIVSA-N 1 3 320.393 -0.036 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])cn1 ZINC000659091960 412080164 /nfs/dbraw/zinc/08/01/64/412080164.db2.gz LGYOWYJKCSBBEE-UHFFFAOYSA-N 1 3 310.402 -0.421 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000659535766 412092068 /nfs/dbraw/zinc/09/20/68/412092068.db2.gz FQFUKQMKSOAKNY-QWHCGFSZSA-N 1 3 313.446 -0.082 20 0 DBADHO CC(C)[C@H]([NH3+])CNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659515543 412092119 /nfs/dbraw/zinc/09/21/19/412092119.db2.gz CCFLXSSTLZPYPK-GFCCVEGCSA-N 1 3 301.435 -0.369 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000659556441 412094359 /nfs/dbraw/zinc/09/43/59/412094359.db2.gz XPPOXCFKHPRFIS-OLZOCXBDSA-N 1 3 313.446 -0.225 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000659628660 412097333 /nfs/dbraw/zinc/09/73/33/412097333.db2.gz IRLBJWLBYHVGMN-MVWJERBFSA-N 1 3 320.397 -0.090 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659696916 412106829 /nfs/dbraw/zinc/10/68/29/412106829.db2.gz DEKSRJVVECGNMV-FUJMWEONSA-N 1 3 308.426 -0.073 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659699783 412107253 /nfs/dbraw/zinc/10/72/53/412107253.db2.gz VWIHOFSDEZIJMF-UHFFFAOYSA-N 1 3 312.414 -0.979 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000659703114 412108880 /nfs/dbraw/zinc/10/88/80/412108880.db2.gz XIHVUEYZIILZBS-WULFKBJJSA-N 1 3 306.410 -0.321 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000659703114 412108885 /nfs/dbraw/zinc/10/88/85/412108885.db2.gz XIHVUEYZIILZBS-WULFKBJJSA-N 1 3 306.410 -0.321 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659701957 412108980 /nfs/dbraw/zinc/10/89/80/412108980.db2.gz LFEVBYLGXPSJII-UYJPIKCFSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H](NC(=O)C(=O)N1CC2CC1(C[NH3+])C2)C1=CCN(C)CC1 ZINC000659702109 412109561 /nfs/dbraw/zinc/10/95/61/412109561.db2.gz MSTKOXPWJCGVIF-OPGSHWCFSA-N 1 3 306.410 -0.297 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1CC2CC1(CN)C2)C[NH+]1CCCC1 ZINC000659711171 412110867 /nfs/dbraw/zinc/11/08/67/412110867.db2.gz YCRWSDCQOSVBGO-FUJMWEONSA-N 1 3 308.426 -0.216 20 0 DBADHO [NH3+]CCNC(=O)C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC000659710510 412111865 /nfs/dbraw/zinc/11/18/65/412111865.db2.gz RMSZDCJHOOQQLK-UHFFFAOYSA-N 1 3 319.409 -0.515 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000659725594 412115269 /nfs/dbraw/zinc/11/52/69/412115269.db2.gz YEAKBLBUONVPLZ-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000659743201 412119042 /nfs/dbraw/zinc/11/90/42/412119042.db2.gz LDSVGMNEOIBMPV-UUCFBXCCSA-N 1 3 320.437 -0.059 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000659743043 412119816 /nfs/dbraw/zinc/11/98/16/412119816.db2.gz XXSCEIZBFBSQIK-UUCFBXCCSA-N 1 3 320.437 -0.059 20 0 DBADHO CS(=O)(=O)NC[C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662250712 412175519 /nfs/dbraw/zinc/17/55/19/412175519.db2.gz MLCHEHBITPVDLG-OLZOCXBDSA-N 1 3 317.455 -0.231 20 0 DBADHO O=C1c2ccccc2C(=O)N1CC[NH2+]C1(CO)CCNCC1 ZINC000662285892 412176842 /nfs/dbraw/zinc/17/68/42/412176842.db2.gz LKYYIFUNFNJFPX-UHFFFAOYSA-N 1 3 303.362 -0.013 20 0 DBADHO N[C@@H]1CN(C(=O)c2cn(CC[NH3+])nn2)C[C@H]1c1ccccc1F ZINC000662575745 412189094 /nfs/dbraw/zinc/18/90/94/412189094.db2.gz DTVCOEHYIJBTDC-WCQYABFASA-N 1 3 318.356 -0.057 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662759401 412199790 /nfs/dbraw/zinc/19/97/90/412199790.db2.gz VOKRCLNRZCOJNV-ILXRZTDVSA-N 1 3 312.458 -0.260 20 0 DBADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C2)CC1=O ZINC000662861163 412208002 /nfs/dbraw/zinc/20/80/02/412208002.db2.gz YDSDXBZIPJLGDR-IHRRRGAJSA-N 1 3 308.426 -0.203 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)n1 ZINC000662947407 412217549 /nfs/dbraw/zinc/21/75/49/412217549.db2.gz OCLWRXAKCRDFQD-LLVKDONJSA-N 1 3 319.287 -0.201 20 0 DBADHO C[NH+](C)CCN1C[C@@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662945579 412218113 /nfs/dbraw/zinc/21/81/13/412218113.db2.gz RRJPMTRJLTUHEC-QJPTWQEYSA-N 1 3 300.378 -0.706 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000662945565 412218264 /nfs/dbraw/zinc/21/82/64/412218264.db2.gz FCHXCCOMTZHLIE-UYJPIKCFSA-N 1 3 308.426 -0.123 20 0 DBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662951747 412218604 /nfs/dbraw/zinc/21/86/04/412218604.db2.gz CEXJCRJFPYRLIS-CHWSQXEVSA-N 1 3 314.430 -0.639 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@H](C[NH3+])C1 ZINC000662981825 412222371 /nfs/dbraw/zinc/22/23/71/412222371.db2.gz RYQFYQJOSWSXLH-ZOBORPQBSA-N 1 3 308.426 -0.265 20 0 DBADHO C[NH2+]CC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663013945 412223106 /nfs/dbraw/zinc/22/31/06/412223106.db2.gz HOIHODREWQIAPM-LBPRGKRZSA-N 1 3 306.414 -0.255 20 0 DBADHO [NH3+]CCC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015820 412223262 /nfs/dbraw/zinc/22/32/62/412223262.db2.gz ZVXLVUCPALURSU-LBPRGKRZSA-N 1 3 306.414 -0.126 20 0 DBADHO O=C([C@H]1CC[NH2+]1)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663017146 412223424 /nfs/dbraw/zinc/22/34/24/412223424.db2.gz IBWXDIXSAPEXSU-QWHCGFSZSA-N 1 3 318.425 -0.113 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[N@H+](C)C1CC1 ZINC000664095935 412247799 /nfs/dbraw/zinc/24/77/99/412247799.db2.gz UHUGZRZIUSCPKQ-UHFFFAOYSA-N 1 3 313.446 -0.258 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000664095935 412247804 /nfs/dbraw/zinc/24/78/04/412247804.db2.gz UHUGZRZIUSCPKQ-UHFFFAOYSA-N 1 3 313.446 -0.258 20 0 DBADHO C[NH+](C)CCn1ccc(NC(=O)[C@@H]2CN3CCN2CCC3)n1 ZINC000536535130 412293583 /nfs/dbraw/zinc/29/35/83/412293583.db2.gz FLTUHHRXAXIWIK-ZDUSSCGKSA-N 1 3 306.414 -0.227 20 0 DBADHO C[NH+](C)CCn1ccc(NC(=O)[C@H]2CN3CCN2CCC3)n1 ZINC000536535129 412294008 /nfs/dbraw/zinc/29/40/08/412294008.db2.gz FLTUHHRXAXIWIK-CYBMUJFWSA-N 1 3 306.414 -0.227 20 0 DBADHO COc1ccc(NC(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000551868546 412442272 /nfs/dbraw/zinc/44/22/72/412442272.db2.gz TTYZTMHTRRIJSI-UHFFFAOYSA-N 1 3 310.402 0.442 20 0 DBADHO C[C@@H](CNC(=O)C(=O)Nc1ccn(CCN(C)C)n1)C[NH+](C)C ZINC000340658710 412465573 /nfs/dbraw/zinc/46/55/73/412465573.db2.gz BITOIPBWHYPOSF-LBPRGKRZSA-N 1 3 324.429 -0.303 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccn2nnnc2c1 ZINC000668303080 544424797 /nfs/dbraw/zinc/42/47/97/544424797.db2.gz YSQCOWXYVKXYCN-UHFFFAOYSA-N 1 3 305.386 -0.310 20 0 DBADHO Cc1cnc2nc(C(=O)N(CCN(C)C)CC[NH+](C)C)nn2c1 ZINC000668302851 544424897 /nfs/dbraw/zinc/42/48/97/544424897.db2.gz RYWIVKFNZNYCTF-UHFFFAOYSA-N 1 3 319.413 -0.002 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)NCCOCC[NH+](C)C)C1 ZINC000669229929 544538944 /nfs/dbraw/zinc/53/89/44/544538944.db2.gz XVVQPNCWJWKGBV-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CN1CCC[C@H](NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C1 ZINC000669403259 544561726 /nfs/dbraw/zinc/56/17/26/544561726.db2.gz QIXVQORHOQZJRB-STQMWFEESA-N 1 3 311.430 -0.423 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1=O ZINC000673671189 544808729 /nfs/dbraw/zinc/80/87/29/544808729.db2.gz WJGCUHQNMHHPJP-UONOGXRCSA-N 1 3 310.442 -0.193 20 0 DBADHO CCN(CCO)CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000681100415 544962878 /nfs/dbraw/zinc/96/28/78/544962878.db2.gz AJKSDVOTQNAJTB-UHFFFAOYSA-N 1 3 312.418 -0.120 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426722 265746155 /nfs/dbraw/zinc/74/61/55/265746155.db2.gz HLQIPYSLFQUXJE-CHWSQXEVSA-N 1 3 313.446 -0.034 20 0 DBADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000419410123 265788560 /nfs/dbraw/zinc/78/85/60/265788560.db2.gz OFSOXCYXYHYIHQ-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419590582 265799565 /nfs/dbraw/zinc/79/95/65/265799565.db2.gz UILXXDSYVABUBH-BXUZGUMPSA-N 1 3 316.471 -0.361 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N(C)C1CC1 ZINC000419584593 265799978 /nfs/dbraw/zinc/79/99/78/265799978.db2.gz KZMBUKKAVLMTDU-XQQFMLRXSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N(C)C1CC1 ZINC000419576810 265800216 /nfs/dbraw/zinc/80/02/16/265800216.db2.gz CKKHZBADVQOVBI-LRDDRELGSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419698408 265806773 /nfs/dbraw/zinc/80/67/73/265806773.db2.gz SIJSJKLKOCMFDC-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000420192857 265851217 /nfs/dbraw/zinc/85/12/17/265851217.db2.gz INPPOPULOGYSIJ-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1C[NH3+] ZINC000424022112 265920539 /nfs/dbraw/zinc/92/05/39/265920539.db2.gz UPTLTSXZFVGOBR-MCIONIFRSA-N 1 3 310.442 -0.160 20 0 DBADHO C[NH2+]CC1CCN([C@@H](C)C(=O)N2CCN(C(C)=O)CC2)CC1 ZINC000430919143 266015692 /nfs/dbraw/zinc/01/56/92/266015692.db2.gz JXSSRIPZIUNYLP-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)COC2CNC2)CC1 ZINC000431059586 266017366 /nfs/dbraw/zinc/01/73/66/266017366.db2.gz WFOFHCBZBDXTCE-HUUCEWRRSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000493952060 266183799 /nfs/dbraw/zinc/18/37/99/266183799.db2.gz HDIIWDXVWMXREL-WDEREUQCSA-N 1 3 310.402 -0.517 20 0 DBADHO C[C@@H](C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1)[C@H](C)[NH3+] ZINC000493952058 266184022 /nfs/dbraw/zinc/18/40/22/266184022.db2.gz HDIIWDXVWMXREL-MNOVXSKESA-N 1 3 310.402 -0.517 20 0 DBADHO C[NH+](C)C[C@@H](O)CNC[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496761848 266245221 /nfs/dbraw/zinc/24/52/21/266245221.db2.gz YICSZKBEQNBWKG-FZMZJTMJSA-N 1 3 305.419 -0.226 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1COC(=O)N1 ZINC000496980542 266252963 /nfs/dbraw/zinc/25/29/63/266252963.db2.gz RKJBLVUZHNQXHH-OLZOCXBDSA-N 1 3 312.414 -0.031 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1COC(=O)N1 ZINC000496980542 266252967 /nfs/dbraw/zinc/25/29/67/266252967.db2.gz RKJBLVUZHNQXHH-OLZOCXBDSA-N 1 3 312.414 -0.031 20 0 DBADHO COc1ccc([C@H](C[NH3+])CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000515171524 266269420 /nfs/dbraw/zinc/26/94/20/266269420.db2.gz QXMKKVMFBVTPTB-IIAWOOMASA-N 1 3 318.421 -0.019 20 0 DBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@H]1CC12CC[NH2+]CC2 ZINC000515351231 266270593 /nfs/dbraw/zinc/27/05/93/266270593.db2.gz VAUXGHITALKQPQ-SNVBAGLBSA-N 1 3 305.386 -0.458 20 0 DBADHO C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCNCC3)C2)C1 ZINC000516861482 266284559 /nfs/dbraw/zinc/28/45/59/266284559.db2.gz OJARFVKTUSFAOD-MRXNPFEDSA-N 1 3 308.426 -0.247 20 0 DBADHO C[N@H+]1CCC[C@@]2(CCN(C(=O)C(=O)N3CCCNCC3)C2)C1 ZINC000516861482 266284560 /nfs/dbraw/zinc/28/45/60/266284560.db2.gz OJARFVKTUSFAOD-MRXNPFEDSA-N 1 3 308.426 -0.247 20 0 DBADHO CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000516786825 266285752 /nfs/dbraw/zinc/28/57/52/266285752.db2.gz GYPKJJVVQRZSOJ-CHWSQXEVSA-N 1 3 311.430 -0.330 20 0 DBADHO CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C(C)C ZINC000516786825 266285755 /nfs/dbraw/zinc/28/57/55/266285755.db2.gz GYPKJJVVQRZSOJ-CHWSQXEVSA-N 1 3 311.430 -0.330 20 0 DBADHO CC1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC[NH2+]CC1 ZINC000516981513 266287929 /nfs/dbraw/zinc/28/79/29/266287929.db2.gz JSCQBFUVISOOJH-NEPJUHHUSA-N 1 3 309.414 -0.671 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000517224900 266291418 /nfs/dbraw/zinc/29/14/18/266291418.db2.gz FJEYHBLPAMCPMO-STQMWFEESA-N 1 3 300.403 -0.534 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000518960529 266305099 /nfs/dbraw/zinc/30/50/99/266305099.db2.gz CKNBPSJRGCJAQW-YIYPIFLZSA-N 1 3 306.410 -0.641 20 0 DBADHO NC1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000377570017 279614655 /nfs/dbraw/zinc/61/46/55/279614655.db2.gz FFCPFBUJQHRGAK-INIZCTEOSA-N 1 3 314.433 -0.011 20 0 DBADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418708583 280164816 /nfs/dbraw/zinc/16/48/16/280164816.db2.gz UIGMZDUQYYUPCP-OLZOCXBDSA-N 1 3 311.430 -0.328 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000332096604 288300743 /nfs/dbraw/zinc/30/07/43/288300743.db2.gz OGSJXQNAUDORJR-YIYPIFLZSA-N 1 3 308.426 -0.075 20 0 DBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCO1 ZINC000332354165 289196610 /nfs/dbraw/zinc/19/66/10/289196610.db2.gz PTWLXMHTYNKROK-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CN1CC[C@H]2CN(C(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)C[C@H]21 ZINC000410465263 289290074 /nfs/dbraw/zinc/29/00/74/289290074.db2.gz GCIVWMHSLNJFRR-BFHYXJOUSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000331607547 289310564 /nfs/dbraw/zinc/31/05/64/289310564.db2.gz BTFQTHHPXGHFCY-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000167407679 295498575 /nfs/dbraw/zinc/49/85/75/295498575.db2.gz AXJRHQDVUZQKQX-CQSZACIVSA-N 1 3 308.426 -0.247 20 0 DBADHO C[C@@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]1 ZINC000569579644 332144136 /nfs/dbraw/zinc/14/41/36/332144136.db2.gz QWFSLMPGRPJARV-INIZCTEOSA-N 1 3 308.426 -0.105 20 0 DBADHO C[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCC[NH2+]1 ZINC000569579645 332144275 /nfs/dbraw/zinc/14/42/75/332144275.db2.gz QWFSLMPGRPJARV-MRXNPFEDSA-N 1 3 308.426 -0.105 20 0 DBADHO C[C@]1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC[NH2+]C1 ZINC000566508764 332464441 /nfs/dbraw/zinc/46/44/41/332464441.db2.gz LLAZNTONBRZMAZ-ZOWXZIJZSA-N 1 3 309.414 -0.671 20 0 DBADHO CC[NH2+]CCCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000571626783 333841044 /nfs/dbraw/zinc/84/10/44/333841044.db2.gz YYZZNBUEPXTWME-CQSZACIVSA-N 1 3 316.471 -0.344 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CCN2C1=O ZINC000584362783 337101808 /nfs/dbraw/zinc/10/18/08/337101808.db2.gz YPEYZNKAKZTMPA-RVMXOQNASA-N 1 3 309.414 -0.543 20 0 DBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000582498569 337102657 /nfs/dbraw/zinc/10/26/57/337102657.db2.gz QLLAVEVUSRJDBV-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000582839772 337207592 /nfs/dbraw/zinc/20/75/92/337207592.db2.gz LIBVJNLKCCNNSI-APIJFGDWSA-N 1 3 320.437 -0.251 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000583015006 337229242 /nfs/dbraw/zinc/22/92/42/337229242.db2.gz CGIKKRQTQMTIAO-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000584460065 337344120 /nfs/dbraw/zinc/34/41/20/337344120.db2.gz XHZSTOCOZAZYCY-MJBXVCDLSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@H](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC[NH2+]CC1 ZINC000584480403 337348579 /nfs/dbraw/zinc/34/85/79/337348579.db2.gz ACXIBJGKFPTDEF-XBFCOCLRSA-N 1 3 308.426 -0.217 20 0 DBADHO C[NH+]1CCC(CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000584541396 337359780 /nfs/dbraw/zinc/35/97/80/337359780.db2.gz GJOLWJDTECTMHT-ZIAGYGMSSA-N 1 3 323.441 -0.328 20 0 DBADHO C[C@@H]1CN(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C[C@@]1(C)C[NH3+] ZINC000573340285 341725626 /nfs/dbraw/zinc/72/56/26/341725626.db2.gz QKPLHODTHHVACD-MCYUEQNJSA-N 1 3 309.414 -0.733 20 0 DBADHO C[NH2+]CCc1ccccc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000576410232 341845062 /nfs/dbraw/zinc/84/50/62/341845062.db2.gz IFNYXHUKQJSPEP-HIFRSBDPSA-N 1 3 316.405 -0.168 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCN2C1=O ZINC000580583240 341881540 /nfs/dbraw/zinc/88/15/40/341881540.db2.gz SNMCJZHVCNOVAV-DHGKCCLASA-N 1 3 321.425 -0.672 20 0 DBADHO CC(C)C[C@H](N)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000236736119 519370517 /nfs/dbraw/zinc/37/05/17/519370517.db2.gz BOKZKJXMAQTSEZ-ZDUSSCGKSA-N 1 3 324.429 -0.127 20 0 DBADHO CC[N@H+](CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CC1 ZINC000345806807 521067270 /nfs/dbraw/zinc/06/72/70/521067270.db2.gz PMMSICVNFHXZMC-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](CCNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C1CC1 ZINC000345806807 521067280 /nfs/dbraw/zinc/06/72/80/521067280.db2.gz PMMSICVNFHXZMC-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CCN(CCNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236881444 521683156 /nfs/dbraw/zinc/68/31/56/521683156.db2.gz NDDYWJITLDRFNF-ZDUSSCGKSA-N 1 3 300.472 -0.165 20 0 DBADHO C[NH+](C)[C@@]1(CNC(=O)[C@H]2CN3CCN2CCC3)CCSC1 ZINC000344007677 522062111 /nfs/dbraw/zinc/06/21/11/522062111.db2.gz DKAYZAMXOKRTDI-UKRRQHHQSA-N 1 3 312.483 -0.070 20 0 DBADHO CN(C)[C@@]1(CNC(=O)N2CCO[C@@H](C[NH3+])C2)CCSC1 ZINC000333356676 522063978 /nfs/dbraw/zinc/06/39/78/522063978.db2.gz KJRJGOWFLIRIHE-WCQYABFASA-N 1 3 302.444 -0.207 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC000332224050 522389863 /nfs/dbraw/zinc/38/98/63/522389863.db2.gz ZDHMQKTVYVUIDH-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO CO[C@@H]1CN[C@@H](C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C1 ZINC000365153068 523741556 /nfs/dbraw/zinc/74/15/56/523741556.db2.gz FJLASPXGKDETED-QWHCGFSZSA-N 1 3 305.382 -0.193 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000333710949 523818952 /nfs/dbraw/zinc/81/89/52/523818952.db2.gz SGTVZCPHSCLYAI-CHWSQXEVSA-N 1 3 309.414 -0.704 20 0 DBADHO CN(CCCN(C)CC(=O)NC(=O)NC1CC1)CC[NH+](C)C ZINC000344065472 524060817 /nfs/dbraw/zinc/06/08/17/524060817.db2.gz OKJBEDBAQDQZEO-UHFFFAOYSA-N 1 3 313.446 -0.210 20 0 DBADHO C[C@]1(CNC(=O)C(=O)N2CCN3CCC[C@@H]3C2)CCC[NH2+]C1 ZINC000332111896 525247111 /nfs/dbraw/zinc/24/71/11/525247111.db2.gz CIRTUBVVPVOLGW-CJNGLKHVSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000331603523 525555254 /nfs/dbraw/zinc/55/52/54/525555254.db2.gz HVYGAJFAKCTHOQ-AVGNSLFASA-N 1 3 324.425 -0.478 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000331603523 525555260 /nfs/dbraw/zinc/55/52/60/525555260.db2.gz HVYGAJFAKCTHOQ-AVGNSLFASA-N 1 3 324.425 -0.478 20 0 DBADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1[nH]nc2c1CNCC2 ZINC000364219307 526552001 /nfs/dbraw/zinc/55/20/01/526552001.db2.gz VUZQICQYOZKIFU-WDEREUQCSA-N 1 3 305.382 -0.352 20 0 DBADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1[nH]nc2c1CNCC2 ZINC000364219307 526552006 /nfs/dbraw/zinc/55/20/06/526552006.db2.gz VUZQICQYOZKIFU-WDEREUQCSA-N 1 3 305.382 -0.352 20 0 DBADHO O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCN(CC2CCOCC2)CC1 ZINC000333859619 526983903 /nfs/dbraw/zinc/98/39/03/526983903.db2.gz RRXAAQNEPDRJMW-FICVDOATSA-N 1 3 308.426 -0.042 20 0 DBADHO Cn1c2ncn(CCN[C@](C)(C[NH3+])C3CC3)c2c(=O)n(C)c1=O ZINC000346591506 527126085 /nfs/dbraw/zinc/12/60/85/527126085.db2.gz ISQVZPXINYTXDG-OAHLLOKOSA-N 1 3 320.397 -0.849 20 0 DBADHO [NH3+]CC[C@@H]1CCCN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)C1 ZINC000332590062 527192159 /nfs/dbraw/zinc/19/21/59/527192159.db2.gz ADQNWRDARWCWHH-KBPBESRZSA-N 1 3 308.426 -0.120 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCCN3C)C[C@H]2[NH3+])cn1 ZINC000333548422 527303131 /nfs/dbraw/zinc/30/31/31/527303131.db2.gz JBSPKCXRNPGKHH-MELADBBJSA-N 1 3 306.414 -0.050 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418343021 528083130 /nfs/dbraw/zinc/08/31/30/528083130.db2.gz AKAPTKNLOAETGU-CYBMUJFWSA-N 1 3 311.430 -0.456 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1=O ZINC000373066878 535880613 /nfs/dbraw/zinc/88/06/13/535880613.db2.gz WXGFTPWWVOOMGQ-MJBXVCDLSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1=O ZINC000342721725 535881260 /nfs/dbraw/zinc/88/12/60/535881260.db2.gz IAFRQFVHSBCXLK-GBJTYRQASA-N 1 3 322.453 -0.018 20 0 DBADHO O=C(NC[C@@H]1CCCN1CCO)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037362 665826610 /nfs/dbraw/zinc/82/66/10/665826610.db2.gz VYQCMAIWEDJPBK-IOSBVQAASA-N 1 3 309.410 -0.578 20 0 DBADHO O=C(NC[C@@H]1CCCN1CCO)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037362 665826612 /nfs/dbraw/zinc/82/66/12/665826612.db2.gz VYQCMAIWEDJPBK-IOSBVQAASA-N 1 3 309.410 -0.578 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)NC[C@@H]2CCCN2CCO)cn1 ZINC001028195489 665901120 /nfs/dbraw/zinc/90/11/20/665901120.db2.gz OPMPNBCSPCDQOZ-AWEZNQCLSA-N 1 3 309.414 -0.369 20 0 DBADHO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CN(C[C@H](C)O)C1 ZINC000969688445 663856744 /nfs/dbraw/zinc/85/67/44/663856744.db2.gz WIOCVLBVELZJGL-QWHCGFSZSA-N 1 3 323.441 -0.124 20 0 DBADHO C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CN(CCCO)C1 ZINC000969688706 663857052 /nfs/dbraw/zinc/85/70/52/663857052.db2.gz YAAJZYALPQRCOP-CYBMUJFWSA-N 1 3 323.441 -0.123 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001020588698 663870069 /nfs/dbraw/zinc/87/00/69/663870069.db2.gz JOWRQPNWAUXCOX-AAVRWANBSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCCNC3=O)C2)C1 ZINC001020588699 663870131 /nfs/dbraw/zinc/87/01/31/663870131.db2.gz JOWRQPNWAUXCOX-SYQHCUMBSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001020587727 663870142 /nfs/dbraw/zinc/87/01/42/663870142.db2.gz RVPYPMQPAYVETN-AAVRWANBSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001020588704 663870188 /nfs/dbraw/zinc/87/01/88/663870188.db2.gz JRFDLPRAFJSCIF-CYDGBPFRSA-N 1 3 322.409 -0.630 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)C1 ZINC001020590398 663871072 /nfs/dbraw/zinc/87/10/72/663871072.db2.gz VJDIJFMJBGHICX-AAVRWANBSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020592527 663871390 /nfs/dbraw/zinc/87/13/90/663871390.db2.gz HPZVPQVMXYMWCE-MNXVOIDGSA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020592527 663871392 /nfs/dbraw/zinc/87/13/92/663871392.db2.gz HPZVPQVMXYMWCE-MNXVOIDGSA-N 1 3 306.414 -0.250 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](N[C@H]3CCC(=O)NC3=O)C2)CC1 ZINC000969813634 663871596 /nfs/dbraw/zinc/87/15/96/663871596.db2.gz CBOCXJPHCVLDII-OLZOCXBDSA-N 1 3 322.409 -0.676 20 0 DBADHO CN1CC[C@H](N[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)C2)C1=O ZINC000969815467 663872532 /nfs/dbraw/zinc/87/25/32/663872532.db2.gz ULOPIEJIDJXONO-KGLIPLIRSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC000969954995 663884866 /nfs/dbraw/zinc/88/48/66/663884866.db2.gz JYYJBAGLVXBPPN-UONOGXRCSA-N 1 3 323.441 -0.456 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000970103435 663905102 /nfs/dbraw/zinc/90/51/02/663905102.db2.gz OTVYMHXDAPWSDO-GFCCVEGCSA-N 1 3 305.382 -0.235 20 0 DBADHO C[C@@H](NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CN(CCO)C1 ZINC000970168788 663934414 /nfs/dbraw/zinc/93/44/14/663934414.db2.gz HBJQFYZCLNICNM-SHOKAGSKSA-N 1 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ZINC000971200830 664123460 /nfs/dbraw/zinc/12/34/60/664123460.db2.gz JNFMTLSIQYRHQE-UONOGXRCSA-N 1 3 306.414 -0.095 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([N@@H+](C)CCn2cncn2)C1 ZINC000971200830 664123465 /nfs/dbraw/zinc/12/34/65/664123465.db2.gz JNFMTLSIQYRHQE-UONOGXRCSA-N 1 3 306.414 -0.095 20 0 DBADHO CN1CCN(C(=O)CCN2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000934265945 664324333 /nfs/dbraw/zinc/32/43/33/664324333.db2.gz OLXYNCMFPNXIPA-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO CN1CCN(C(=O)CCN2CC[C@H]3[C@H]2CCC[N@H+]3CCO)CC1 ZINC000934265945 664324337 /nfs/dbraw/zinc/32/43/37/664324337.db2.gz OLXYNCMFPNXIPA-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022710273 664338285 /nfs/dbraw/zinc/33/82/85/664338285.db2.gz BTPMJQFELRWZRP-MCIONIFRSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)C1 ZINC001022712895 664339581 /nfs/dbraw/zinc/33/95/81/664339581.db2.gz CYQKWBZRBWFUTP-MELADBBJSA-N 1 3 306.414 -0.143 20 0 DBADHO O=C(NC[C@H]1CCC[N@@H+](CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001023500692 664832224 /nfs/dbraw/zinc/83/22/24/664832224.db2.gz XRHYNFIOQHFWRC-GJEMEMOUSA-N 1 3 323.437 -0.330 20 0 DBADHO O=C(NC[C@H]1CCC[N@H+](CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001023500692 664832226 /nfs/dbraw/zinc/83/22/26/664832226.db2.gz XRHYNFIOQHFWRC-GJEMEMOUSA-N 1 3 323.437 -0.330 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910906131 674655992 /nfs/dbraw/zinc/65/59/92/674655992.db2.gz KGMRMPGHZWBXNH-XJKSGUPXSA-N 1 3 308.426 -0.584 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910906131 674655994 /nfs/dbraw/zinc/65/59/94/674655994.db2.gz KGMRMPGHZWBXNH-XJKSGUPXSA-N 1 3 308.426 -0.584 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001024179032 664879788 /nfs/dbraw/zinc/87/97/88/664879788.db2.gz IQPPOQHFCSFBRR-DGCLKSJQSA-N 1 3 305.382 -0.331 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)N1CCCCC1 ZINC000910947333 674661653 /nfs/dbraw/zinc/66/16/53/674661653.db2.gz WDXSRIMRRAHLTF-IGQOVBAYSA-N 1 3 308.426 -0.014 20 0 DBADHO O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001024561692 664898762 /nfs/dbraw/zinc/89/87/62/664898762.db2.gz VQYPCFHZCDOILP-GWUWNPHMSA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561692 664898764 /nfs/dbraw/zinc/89/87/64/664898764.db2.gz VQYPCFHZCDOILP-GWUWNPHMSA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(CN1CCCC1)N1CCCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001025160911 664985383 /nfs/dbraw/zinc/98/53/83/664985383.db2.gz VORHPLIAVNFWAV-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)[C@@H](C(=O)N1CC[C@H](N[C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC001018999559 665049032 /nfs/dbraw/zinc/04/90/32/665049032.db2.gz XKPDQSJHGQDBDA-MJBXVCDLSA-N 1 3 310.442 -0.006 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@H](NCC(=O)N2CCC2)C1)[NH+](C)C ZINC001019340810 665056329 /nfs/dbraw/zinc/05/63/29/665056329.db2.gz IFGWBKFWVKHPGF-DZGCQCFKSA-N 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C[C@H]1C[C@@H](C(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC[N@H+]1C ZINC001025974404 665117673 /nfs/dbraw/zinc/11/76/73/665117673.db2.gz PXJZJQAQNPZGOA-PKCACUDHSA-N 1 3 320.437 -0.348 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026040872 665120824 /nfs/dbraw/zinc/12/08/24/665120824.db2.gz PZPAQUSNEMCGCV-RLPMIEJPSA-N 1 3 306.410 -0.594 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001026040872 665120826 /nfs/dbraw/zinc/12/08/26/665120826.db2.gz PZPAQUSNEMCGCV-RLPMIEJPSA-N 1 3 306.410 -0.594 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026043604 665121846 /nfs/dbraw/zinc/12/18/46/665121846.db2.gz SKLJNWOCGCLQLT-BIGJJFBESA-N 1 3 306.410 -0.737 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)C1 ZINC001026043604 665121848 /nfs/dbraw/zinc/12/18/48/665121848.db2.gz SKLJNWOCGCLQLT-BIGJJFBESA-N 1 3 306.410 -0.737 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001026043257 665121935 /nfs/dbraw/zinc/12/19/35/665121935.db2.gz HCQZXVIVHRGWID-SSZWKKLZSA-N 1 3 320.437 -0.252 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001026043257 665121937 /nfs/dbraw/zinc/12/19/37/665121937.db2.gz HCQZXVIVHRGWID-SSZWKKLZSA-N 1 3 320.437 -0.252 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026140293 665127775 /nfs/dbraw/zinc/12/77/75/665127775.db2.gz DIOKJICDSIIRSA-RLPMIEJPSA-N 1 3 306.410 -0.737 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026140293 665127777 /nfs/dbraw/zinc/12/77/77/665127777.db2.gz DIOKJICDSIIRSA-RLPMIEJPSA-N 1 3 306.410 -0.737 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026149364 665129106 /nfs/dbraw/zinc/12/91/06/665129106.db2.gz DLLHWYNSOPAQPY-AIEDFZFUSA-N 1 3 320.437 -0.204 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001026149364 665129108 /nfs/dbraw/zinc/12/91/08/665129108.db2.gz DLLHWYNSOPAQPY-AIEDFZFUSA-N 1 3 320.437 -0.204 20 0 DBADHO CN(CC(=O)N1C[C@@H]2CC[C@H]([NH2+]CC(N)=O)[C@@H]2C1)C1CCC1 ZINC001026285414 665154187 /nfs/dbraw/zinc/15/41/87/665154187.db2.gz ZMNZTWZNXVKVRD-YUTCNCBUSA-N 1 3 308.426 -0.217 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911176975 674687812 /nfs/dbraw/zinc/68/78/12/674687812.db2.gz RHCVPUJKMUBQAB-YNEHKIRRSA-N 1 3 312.414 -0.920 20 0 DBADHO CN(C)C1(C(=O)N2C[C@@H]3CC[C@@H]([NH2+]CC(N)=O)[C@H]3C2)CCC1 ZINC001026284447 665154383 /nfs/dbraw/zinc/15/43/83/665154383.db2.gz SMNWGGMJLZJPHJ-RWMBFGLXSA-N 1 3 308.426 -0.217 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911177463 674687870 /nfs/dbraw/zinc/68/78/70/674687870.db2.gz RZOLQXSPAFKUJP-GFCCVEGCSA-N 1 3 314.430 -0.815 20 0 DBADHO O=C(CN1CCCC1)N[C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000974152062 665173247 /nfs/dbraw/zinc/17/32/47/665173247.db2.gz DXSFTKYLJLXFJU-OKILXGFUSA-N 1 3 308.426 -0.059 20 0 DBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000911223408 674689371 /nfs/dbraw/zinc/68/93/71/674689371.db2.gz OAKQLTXDQVIVFX-MJBXVCDLSA-N 1 3 308.426 -0.170 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000911209819 674690333 /nfs/dbraw/zinc/69/03/33/674690333.db2.gz NCHGZEADIJUHTN-RDBSUJKOSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@H](C[NH2+][C@@H]3CCNC3=O)C2)CCC1 ZINC001026886253 665240340 /nfs/dbraw/zinc/24/03/40/665240340.db2.gz SPGBGPDVPFMLJA-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001026891524 665240498 /nfs/dbraw/zinc/24/04/98/665240498.db2.gz XHXITUYZUCOHNO-JSGCOSHPSA-N 1 3 308.426 -0.203 20 0 DBADHO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1[NH3+] ZINC000911224288 674695000 /nfs/dbraw/zinc/69/50/00/674695000.db2.gz WQDOMONLAYOTMS-CHWSQXEVSA-N 1 3 308.426 -0.217 20 0 DBADHO CC1(C)CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[C@H]1[NH3+] ZINC000911224290 674695155 /nfs/dbraw/zinc/69/51/55/674695155.db2.gz WQDOMONLAYOTMS-QWHCGFSZSA-N 1 3 308.426 -0.217 20 0 DBADHO [NH3+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)C2 ZINC000911224433 674695487 /nfs/dbraw/zinc/69/54/87/674695487.db2.gz YDLADMSEROTPGH-YJNKXOJESA-N 1 3 320.437 -0.075 20 0 DBADHO CN1CC[C@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027218073 665308271 /nfs/dbraw/zinc/30/82/71/665308271.db2.gz XGTLZFFIJDRUOV-KBPBESRZSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911302236 674703023 /nfs/dbraw/zinc/70/30/23/674703023.db2.gz HUSXVKDOYYQDBJ-QWHCGFSZSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000911310797 674707802 /nfs/dbraw/zinc/70/78/02/674707802.db2.gz NREQQOJGCVUUOG-LBPRGKRZSA-N 1 3 314.430 -0.863 20 0 DBADHO CC1(C)C[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000911519792 674735366 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20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC000991728629 674883218 /nfs/dbraw/zinc/88/32/18/674883218.db2.gz NFYBGRNMLLMRQU-OLZOCXBDSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC000991728629 674883220 /nfs/dbraw/zinc/88/32/20/674883220.db2.gz NFYBGRNMLLMRQU-OLZOCXBDSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991730211 674884045 /nfs/dbraw/zinc/88/40/45/674884045.db2.gz QLABXEUOXBGATG-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991730211 674884046 /nfs/dbraw/zinc/88/40/46/674884046.db2.gz QLABXEUOXBGATG-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000991894563 674916367 /nfs/dbraw/zinc/91/63/67/674916367.db2.gz PHVCWWSQNQPRQI-OAHLLOKOSA-N 1 3 320.437 -0.249 20 0 DBADHO C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CCC(C)CC1 ZINC000923595612 674983163 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C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999883071 678766106 /nfs/dbraw/zinc/76/61/06/678766106.db2.gz JAOAKTQKMDJLES-TZMCWYRMSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)C2(N(C)C)CCC2)C1 ZINC000999883071 678766110 /nfs/dbraw/zinc/76/61/10/678766110.db2.gz JAOAKTQKMDJLES-TZMCWYRMSA-N 1 3 322.453 -0.005 20 0 DBADHO C[NH+]1CCC(OCC(=O)N2CCC[C@@H](NCC(N)=O)C2)CC1 ZINC001000576273 678855882 /nfs/dbraw/zinc/85/58/82/678855882.db2.gz ZKKCSRCYJBPMTR-GFCCVEGCSA-N 1 3 312.414 -0.837 20 0 DBADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001000715053 678867848 /nfs/dbraw/zinc/86/78/48/678867848.db2.gz OYYUNTYXISOSEH-LSDHHAIUSA-N 1 3 309.410 -0.410 20 0 DBADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001000715053 678867850 /nfs/dbraw/zinc/86/78/50/678867850.db2.gz OYYUNTYXISOSEH-LSDHHAIUSA-N 1 3 309.410 -0.410 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCC(=O)N3CCC3)C2)C1 ZINC001000920305 678883900 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805614415 /nfs/dbraw/zinc/61/44/15/805614415.db2.gz UXEROKFFGDOFOK-CYDGBPFRSA-N 1 3 312.414 -0.792 20 0 DBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000843260140 805614429 /nfs/dbraw/zinc/61/44/29/805614429.db2.gz UXEROKFFGDOFOK-ZDEQEGDKSA-N 1 3 312.414 -0.792 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844192368 805653464 /nfs/dbraw/zinc/65/34/64/805653464.db2.gz OJYIBRRZJKGOBP-GJZGRUSLSA-N 1 3 312.458 -0.103 20 0 DBADHO O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848606123 805842171 /nfs/dbraw/zinc/84/21/71/805842171.db2.gz UZJXVPHRFFEMOL-HBNTYKKESA-N 1 3 304.341 -0.556 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000851679672 805924013 /nfs/dbraw/zinc/92/40/13/805924013.db2.gz ZQTXDSVQVAVXGD-HNNXBMFYSA-N 1 3 320.397 -0.074 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000857113514 806109679 /nfs/dbraw/zinc/10/96/79/806109679.db2.gz YGDNNKOPBRAEDY-ZDUSSCGKSA-N 1 3 311.430 -0.327 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3COC(=O)N3)CC2)CC1 ZINC000858926704 806161828 /nfs/dbraw/zinc/16/18/28/806161828.db2.gz FXQMOHXBEVEDGP-ZDUSSCGKSA-N 1 3 310.398 -0.230 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861572398 806275233 /nfs/dbraw/zinc/27/52/33/806275233.db2.gz RENYQMRYIULPDS-CHWSQXEVSA-N 1 3 300.403 -0.615 20 0 DBADHO [NH3+]CCCOCCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861573558 806275700 /nfs/dbraw/zinc/27/57/00/806275700.db2.gz JBLDPCJCTGUIEO-CHWSQXEVSA-N 1 3 300.403 -0.486 20 0 DBADHO [NH3+]CC1(NC(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCOCC1 ZINC000861573522 806275749 /nfs/dbraw/zinc/27/57/49/806275749.db2.gz HZNSNPKYWPJLRT-STQMWFEESA-N 1 3 312.414 -0.343 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCCS(C)(=O)=O ZINC001319122930 806347326 /nfs/dbraw/zinc/34/73/26/806347326.db2.gz VQFNBPYLXSLYFA-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCCS(C)(=O)=O ZINC001319122930 806347335 /nfs/dbraw/zinc/34/73/35/806347335.db2.gz VQFNBPYLXSLYFA-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO O[C@H](C[NH2+]C[C@@H]1COC2(CCOCC2)O1)CN1CCCC1 ZINC000863553628 806364409 /nfs/dbraw/zinc/36/44/09/806364409.db2.gz GPVSZNHOAWRZMF-ZIAGYGMSSA-N 1 3 300.399 -0.045 20 0 DBADHO C[C@H]([NH3+])CN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000863760688 806373090 /nfs/dbraw/zinc/37/30/90/806373090.db2.gz MHKCUJSUWRWBDJ-LBPRGKRZSA-N 1 3 310.398 -0.025 20 0 DBADHO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001319435403 806378154 /nfs/dbraw/zinc/37/81/54/806378154.db2.gz CRZMQKMELKNZOL-NEPJUHHUSA-N 1 3 320.459 -0.934 20 0 DBADHO C[C@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001319438260 806378896 /nfs/dbraw/zinc/37/88/96/806378896.db2.gz ZANFWNJRNWRGPP-OLZOCXBDSA-N 1 3 311.430 -0.458 20 0 DBADHO C[C@@H](C[NH2+]CCN1CCNC1=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001319438261 806379191 /nfs/dbraw/zinc/37/91/91/806379191.db2.gz ZANFWNJRNWRGPP-STQMWFEESA-N 1 3 311.430 -0.458 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001321000513 806554401 /nfs/dbraw/zinc/55/44/01/806554401.db2.gz ZEGDXAPWQUOCFO-OKYAQOQYSA-N 1 3 321.425 -0.400 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000868419228 806554730 /nfs/dbraw/zinc/55/47/30/806554730.db2.gz WJNLDEOSIQIFRX-KBPBESRZSA-N 1 3 308.426 -0.108 20 0 DBADHO NC(C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C(F)(F)F ZINC000870998424 806616065 /nfs/dbraw/zinc/61/60/65/806616065.db2.gz XGXBDYHQDKTTPG-UYXSQOIJSA-N 1 3 322.287 -0.731 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000871000663 806617162 /nfs/dbraw/zinc/61/71/62/806617162.db2.gz VYVQACDEUQARIH-LOWDOPEQSA-N 1 3 310.398 -0.280 20 0 DBADHO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001321542332 806638262 /nfs/dbraw/zinc/63/82/62/806638262.db2.gz UTYOPQPINOYZGU-GHMZBOCLSA-N 1 3 310.398 -0.630 20 0 DBADHO [NH3+]C[C@@H]1CN(CCC(=O)N2CCNCC2)C[C@@H]1C(F)(F)F ZINC000872150540 806646062 /nfs/dbraw/zinc/64/60/62/806646062.db2.gz FLLSDFTZWHUYKM-MNOVXSKESA-N 1 3 308.348 -0.123 20 0 DBADHO N[C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000872146020 806646514 /nfs/dbraw/zinc/64/65/14/806646514.db2.gz CBBXLRDROBYEQW-HOTGVXAUSA-N 1 3 308.422 -0.016 20 0 DBADHO C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321958568 806692647 /nfs/dbraw/zinc/69/26/47/806692647.db2.gz OJJXGTNCFDQCAU-ZDEQEGDKSA-N 1 3 324.425 -0.384 20 0 DBADHO C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001321958568 806692652 /nfs/dbraw/zinc/69/26/52/806692652.db2.gz OJJXGTNCFDQCAU-ZDEQEGDKSA-N 1 3 324.425 -0.384 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1)C1CC1 ZINC000875124918 806731378 /nfs/dbraw/zinc/73/13/78/806731378.db2.gz BLEQNFCINIPPRF-GXTWGEPZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1)C1CC1 ZINC000875124918 806731382 /nfs/dbraw/zinc/73/13/82/806731382.db2.gz BLEQNFCINIPPRF-GXTWGEPZSA-N 1 3 308.426 -0.251 20 0 DBADHO COc1ccc([C@@H]2CN(C(=O)[C@@H](N)CN(C)C)C[C@H]2[NH3+])cc1 ZINC000877239281 806827535 /nfs/dbraw/zinc/82/75/35/806827535.db2.gz OGBGTHQERBYDDI-ZNMIVQPWSA-N 1 3 306.410 -0.163 20 0 DBADHO C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C1CC[NH2+]CC1 ZINC000877253083 806828618 /nfs/dbraw/zinc/82/86/18/806828618.db2.gz JHMZPIKWLBUPOY-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO COCCC1(NC(=O)c2[nH]nc3c2CNCC3)CC[NH2+]CC1 ZINC000877268247 806829673 /nfs/dbraw/zinc/82/96/73/806829673.db2.gz XGNBQBOLGJVSQF-UHFFFAOYSA-N 1 3 307.398 -0.056 20 0 DBADHO C[NH+]1CCC(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@@]3(C)C2)CC1 ZINC000879155609 806879165 /nfs/dbraw/zinc/87/91/65/806879165.db2.gz FXADWKHOBUMFDZ-HZPDHXFCSA-N 1 3 322.409 -0.819 20 0 DBADHO [NH3+]CC1(CCNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000652711412 803900601 /nfs/dbraw/zinc/90/06/01/803900601.db2.gz QZLRJYSCBKCOBX-ZDUSSCGKSA-N 1 3 308.426 -0.072 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCc2cnn(C)c2)CC[N@@H+]1C ZINC001279718068 803914681 /nfs/dbraw/zinc/91/46/81/803914681.db2.gz RHOMLVVELSVCOY-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(CCO)CCNCc2cnn(C)c2)CC[N@H+]1C ZINC001279718068 803914686 /nfs/dbraw/zinc/91/46/86/803914686.db2.gz RHOMLVVELSVCOY-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO C[C@H](O)C[NH2+]CCN(CCO)C(=O)C(C)(C)N1CCCC1 ZINC001279791909 803919779 /nfs/dbraw/zinc/91/97/79/803919779.db2.gz LIACXFNCPTWPKC-ZDUSSCGKSA-N 1 3 301.431 -0.348 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001283102000 804414704 /nfs/dbraw/zinc/41/47/04/804414704.db2.gz UUVDAWREYCXPSL-AVGNSLFASA-N 1 3 324.425 -0.382 20 0 DBADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000774851777 804432048 /nfs/dbraw/zinc/43/20/48/804432048.db2.gz CBVDNTODMFKGMK-KBPBESRZSA-N 1 3 324.425 -0.824 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CCOCCO)C[C@@H]1C ZINC001284032527 804628172 /nfs/dbraw/zinc/62/81/72/804628172.db2.gz NJUISWZLECRERM-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO CN(C[C@@H](O)C[NH2+]CC[C@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001284446599 804709356 /nfs/dbraw/zinc/70/93/56/804709356.db2.gz LHWLSURLGWEYQB-UONOGXRCSA-N 1 3 310.398 -0.070 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CCCO ZINC001284477695 804715363 /nfs/dbraw/zinc/71/53/63/804715363.db2.gz QTGZERXIBSFPEM-UONOGXRCSA-N 1 3 301.431 -0.348 20 0 DBADHO CN(C)C(=O)CNCCOCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001284878269 804782640 /nfs/dbraw/zinc/78/26/40/804782640.db2.gz OOUFSXMGZWSKRI-ZDUSSCGKSA-N 1 3 314.430 -0.909 20 0 DBADHO CN(C)C(=O)CNCCOCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001284878269 804782644 /nfs/dbraw/zinc/78/26/44/804782644.db2.gz OOUFSXMGZWSKRI-ZDUSSCGKSA-N 1 3 314.430 -0.909 20 0 DBADHO O=C(CN1CCCC1)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001285558049 804916761 /nfs/dbraw/zinc/91/67/61/804916761.db2.gz OIJFVSPCEHUKCS-OWOJBTEDSA-N 1 3 320.437 -0.033 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000884211238 807041339 /nfs/dbraw/zinc/04/13/39/807041339.db2.gz XIAPYLBYBFFCJP-ZDUSSCGKSA-N 1 3 314.430 -0.637 20 0 DBADHO COCC[C@@H](N)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280084 807042890 /nfs/dbraw/zinc/04/28/90/807042890.db2.gz AYUMEUBOIBVLFR-NXEZZACHSA-N 1 3 312.336 -0.698 20 0 DBADHO N[C@H](CC1CC1)C(=O)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000884431138 807049443 /nfs/dbraw/zinc/04/94/43/807049443.db2.gz LYHHNSLOWPMVJU-MCIONIFRSA-N 1 3 322.409 -0.103 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC(C)CC1 ZINC000884502312 807052720 /nfs/dbraw/zinc/05/27/20/807052720.db2.gz HCRADLDMWDSYIO-IHRRRGAJSA-N 1 3 308.426 -0.204 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828247224 805370219 /nfs/dbraw/zinc/37/02/19/805370219.db2.gz MWEXASSLNYQLCA-IUODEOHRSA-N 1 3 314.405 -0.253 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001293069085 805380259 /nfs/dbraw/zinc/38/02/59/805380259.db2.gz FDRCINQEKWBRND-CYBMUJFWSA-N 1 3 310.442 -0.098 20 0 DBADHO O=C(NC[C@@H]1CCCN(CCn2cnnn2)C1)[C@@H]1CCC[NH2+]1 ZINC000883424640 807013738 /nfs/dbraw/zinc/01/37/38/807013738.db2.gz YUBWNTVFTQEHIL-STQMWFEESA-N 1 3 307.402 -0.747 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000884555527 807055094 /nfs/dbraw/zinc/05/50/94/807055094.db2.gz SUQCPLJJJOTMGR-UBHSHLNASA-N 1 3 308.426 -0.075 20 0 DBADHO CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000884559901 807056349 /nfs/dbraw/zinc/05/63/49/807056349.db2.gz IKBKDZLLLCJFSM-MELADBBJSA-N 1 3 324.425 -0.824 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000884576304 807057797 /nfs/dbraw/zinc/05/77/97/807057797.db2.gz DTJLIZTVKJYRPW-GRDNDAEWSA-N 1 3 322.453 -0.098 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000884576734 807058073 /nfs/dbraw/zinc/05/80/73/807058073.db2.gz PAJJVGTVGVNISB-MELADBBJSA-N 1 3 308.426 -0.203 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884588068 807058702 /nfs/dbraw/zinc/05/87/02/807058702.db2.gz XOQILZPDPDDBMG-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CCN(C(=O)C(=O)N[C@H](C)C1=CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000884623690 807060953 /nfs/dbraw/zinc/06/09/53/807060953.db2.gz LSPRGSPPOXVCOA-TZMCWYRMSA-N 1 3 308.426 -0.037 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884617203 807061148 /nfs/dbraw/zinc/06/11/48/807061148.db2.gz JIXFBBONXBGAFZ-HZSPNIEDSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000884631595 807062457 /nfs/dbraw/zinc/06/24/57/807062457.db2.gz PKNIIWIMACFSLC-KFWWJZLASA-N 1 3 320.437 -0.060 20 0 DBADHO CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884664682 807065201 /nfs/dbraw/zinc/06/52/01/807065201.db2.gz RZDRIQGHFOCOEH-AVGNSLFASA-N 1 3 308.426 -0.204 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C1 ZINC000884787359 807077396 /nfs/dbraw/zinc/07/73/96/807077396.db2.gz OUZJYSOKCADDSN-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(NC[C@H]1CCN1C1CCOCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000885876036 807109612 /nfs/dbraw/zinc/10/96/12/807109612.db2.gz NFDQHTAYRANMLV-HZPDHXFCSA-N 1 3 322.453 -0.254 20 0 DBADHO O=C(NC[C@H]1CCN1C1CCOCC1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000885876036 807109618 /nfs/dbraw/zinc/10/96/18/807109618.db2.gz NFDQHTAYRANMLV-HZPDHXFCSA-N 1 3 322.453 -0.254 20 0 DBADHO CN1CCC[C@H]1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H]1CCCN1C ZINC000888041349 807170142 /nfs/dbraw/zinc/17/01/42/807170142.db2.gz DOPNUDQMPSCGTF-CRWXNKLISA-N 1 3 324.425 -0.825 20 0 DBADHO CN1CCC[C@H]1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000888041349 807170146 /nfs/dbraw/zinc/17/01/46/807170146.db2.gz DOPNUDQMPSCGTF-CRWXNKLISA-N 1 3 324.425 -0.825 20 0 DBADHO CN1CCC[C@H]1C(=O)N[C@H]1COC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000888041349 807170148 /nfs/dbraw/zinc/17/01/48/807170148.db2.gz DOPNUDQMPSCGTF-CRWXNKLISA-N 1 3 324.425 -0.825 20 0 DBADHO CN1CCC[C@H]1C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000888041349 807170151 /nfs/dbraw/zinc/17/01/51/807170151.db2.gz DOPNUDQMPSCGTF-CRWXNKLISA-N 1 3 324.425 -0.825 20 0 DBADHO CN1CCC[C@H]1C(=O)N[C@@H]1COC[C@@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000888041349 807170154 /nfs/dbraw/zinc/17/01/54/807170154.db2.gz DOPNUDQMPSCGTF-CRWXNKLISA-N 1 3 324.425 -0.825 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](F)C1 ZINC001326989776 807229493 /nfs/dbraw/zinc/22/94/93/807229493.db2.gz BQUGLKNQLJJYCO-LBPRGKRZSA-N 1 3 302.394 -0.491 20 0 DBADHO C[NH+](C)CCNC(=S)N1CC[C@H]2[C@H]1CCCN2CCO ZINC000899664927 807267081 /nfs/dbraw/zinc/26/70/81/807267081.db2.gz UUKQQCRHBDXUJO-QWHCGFSZSA-N 1 3 300.472 -0.047 20 0 DBADHO CN(C)CCn1nccc1C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000900007310 807280735 /nfs/dbraw/zinc/28/07/35/807280735.db2.gz LPWZJHARDILOOH-UHFFFAOYSA-N 1 3 322.457 -0.236 20 0 DBADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC[C@H]21 ZINC001036809329 815105408 /nfs/dbraw/zinc/10/54/08/815105408.db2.gz JICIFSFSOOKRME-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@@H]3C[C@@H]3C(N)=O)CC2)CC1 ZINC000900446614 807302014 /nfs/dbraw/zinc/30/20/14/807302014.db2.gz QENDIAZSJTVWIR-UONOGXRCSA-N 1 3 308.426 -0.217 20 0 DBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)CN1CCCC1=O ZINC001327771399 807334826 /nfs/dbraw/zinc/33/48/26/807334826.db2.gz CNASYMNDWLZMDV-CHWSQXEVSA-N 1 3 311.430 -0.432 20 0 DBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]CCCO)CC1)N(C)C ZINC001328175834 807388545 /nfs/dbraw/zinc/38/85/45/807388545.db2.gz XOABHRNBTHKOJC-CYBMUJFWSA-N 1 3 301.431 -0.348 20 0 DBADHO NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)[C@@H](N)CC(F)F)C1 ZINC001328175007 807388666 /nfs/dbraw/zinc/38/86/66/807388666.db2.gz ROOWLOZCBQJPOI-ZJUUUORDSA-N 1 3 306.357 -0.328 20 0 DBADHO NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)[C@@H](N)CC(F)F)C1 ZINC001328175007 807388670 /nfs/dbraw/zinc/38/86/70/807388670.db2.gz ROOWLOZCBQJPOI-ZJUUUORDSA-N 1 3 306.357 -0.328 20 0 DBADHO CC1CCN(CC(=O)N2CCC(O)(C[NH2+]CCO)CC2)CC1 ZINC001328206412 807393086 /nfs/dbraw/zinc/39/30/86/807393086.db2.gz XLSHIENEKMEUHX-UHFFFAOYSA-N 1 3 313.442 -0.346 20 0 DBADHO CC1(C)CN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[C@H]1[NH3+] ZINC000903735169 807405378 /nfs/dbraw/zinc/40/53/78/807405378.db2.gz ITNPPYADATYFNG-CHWSQXEVSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(C)C(=O)[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903757131 807408330 /nfs/dbraw/zinc/40/83/30/807408330.db2.gz YGXIXTBPPOFMEU-UONOGXRCSA-N 1 3 310.442 -0.493 20 0 DBADHO C[C@](Cn1cccn1)(NC[C@H]1C[C@@]2(CC[NH2+]C2)CO1)C(N)=O ZINC000903829903 807416854 /nfs/dbraw/zinc/41/68/54/807416854.db2.gz NULZHRZZIMUENH-BPLDGKMQSA-N 1 3 307.398 -0.515 20 0 DBADHO [NH3+][C@H]1C[C@@H](CN2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000904340899 807424312 /nfs/dbraw/zinc/42/43/12/807424312.db2.gz NMOMNQBWTGBNEM-HZSPNIEDSA-N 1 3 317.455 -0.150 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000905013485 807439776 /nfs/dbraw/zinc/43/97/76/807439776.db2.gz SGEUAZKYCOBXEW-MRXNPFEDSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CCOCCO)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001328786789 807468999 /nfs/dbraw/zinc/46/89/99/807468999.db2.gz QQLBHUAXBZCREX-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCOCCO)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001328786789 807469002 /nfs/dbraw/zinc/46/90/02/807469002.db2.gz QQLBHUAXBZCREX-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CO)CN2CCCCC2)C1 ZINC000908118599 807574930 /nfs/dbraw/zinc/57/49/30/807574930.db2.gz NJLNFKSPEYFCMV-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@@](O)(CC(=O)N[C@@H](CO)CN2CCCCC2)C1 ZINC000908118599 807574936 /nfs/dbraw/zinc/57/49/36/807574936.db2.gz NJLNFKSPEYFCMV-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324459 807659979 /nfs/dbraw/zinc/65/99/79/807659979.db2.gz VAKHHUGZJXLPFQ-HNNXBMFYSA-N 1 3 322.453 -0.395 20 0 DBADHO Cc1cccc(CN2CCN(C(=O)CNC(CN)C[NH3+])CC2)c1 ZINC000923352589 807661255 /nfs/dbraw/zinc/66/12/55/807661255.db2.gz XTFCWRPIFBTBET-UHFFFAOYSA-N 1 3 319.453 -0.485 20 0 DBADHO CN1CC(=O)N(CCN2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1=O ZINC000923362770 807661309 /nfs/dbraw/zinc/66/13/09/807661309.db2.gz OGTHCFNZHKVBJG-OCCSQVGLSA-N 1 3 310.398 -0.291 20 0 DBADHO NCC(C[NH3+])NCC(=O)N1CCN(Cc2cccs2)CC1 ZINC000923354549 807661730 /nfs/dbraw/zinc/66/17/30/807661730.db2.gz RYGVLPAVKYBFEA-UHFFFAOYSA-N 1 3 311.455 -0.732 20 0 DBADHO CSC[C@@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923399425 807664141 /nfs/dbraw/zinc/66/41/41/807664141.db2.gz PSHLYDRVIOHXGK-XQQFMLRXSA-N 1 3 315.439 -0.033 20 0 DBADHO CNS(=O)(=O)C[C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923412124 807665698 /nfs/dbraw/zinc/66/56/98/807665698.db2.gz PFSACIUWPFSTSS-STQMWFEESA-N 1 3 317.455 -0.374 20 0 DBADHO CSC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413112 807665977 /nfs/dbraw/zinc/66/59/77/807665977.db2.gz DFWQNMYASWCKBC-YFKTTZPYSA-N 1 3 301.412 -0.423 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)CC1 ZINC000923423722 807666293 /nfs/dbraw/zinc/66/62/93/807666293.db2.gz MPXZYVLOLWCFTE-IHRRRGAJSA-N 1 3 310.442 -0.357 20 0 DBADHO CN1CC(=O)N(CCN2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1=O ZINC000923408666 807666493 /nfs/dbraw/zinc/66/64/93/807666493.db2.gz DPYGGOPYESMWBW-CQSZACIVSA-N 1 3 324.425 -0.029 20 0 DBADHO Cn1c(CN2CCC3(CO[C@H](C[NH3+])C3)CC2)cc(=O)n(C)c1=O ZINC000923455336 807671084 /nfs/dbraw/zinc/67/10/84/807671084.db2.gz SQVGCTYKOMMGRR-ZDUSSCGKSA-N 1 3 322.409 -0.586 20 0 DBADHO [NH3+]CC[C@H]1CCN(CC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000923485180 807674434 /nfs/dbraw/zinc/67/44/34/807674434.db2.gz PQFVVVUPRXQPCS-AWEZNQCLSA-N 1 3 318.425 -0.204 20 0 DBADHO CN(CCCNC(=O)CN1CC[C@H](CC[NH3+])C1)S(C)(=O)=O ZINC000923492486 807674509 /nfs/dbraw/zinc/67/45/09/807674509.db2.gz PSFFKTOPGMQSES-LBPRGKRZSA-N 1 3 320.459 -0.945 20 0 DBADHO CCN(CC)CCN(CCOC)S(=O)(=O)N1CC[NH2+]CC1 ZINC000923605964 807685479 /nfs/dbraw/zinc/68/54/79/807685479.db2.gz KTKQSWBUYUXNDY-UHFFFAOYSA-N 1 3 322.475 -0.573 20 0 DBADHO CN1CCC[C@@H]1[C@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923609872 807686612 /nfs/dbraw/zinc/68/66/12/807686612.db2.gz JPJCCJXEAMSZHR-CHWSQXEVSA-N 1 3 302.444 -0.305 20 0 DBADHO C[C@@H](O)C[NH+]1CCC(CN(C)S(=O)(=O)C2CNC2)CC1 ZINC000923614694 807688073 /nfs/dbraw/zinc/68/80/73/807688073.db2.gz HMGJPULMHLGQKJ-LLVKDONJSA-N 1 3 305.444 -0.687 20 0 DBADHO CC[NH+](CC)CCO[C@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923624482 807691847 /nfs/dbraw/zinc/69/18/47/807691847.db2.gz FISSVFMWBFGDPG-LBPRGKRZSA-N 1 3 305.444 -0.279 20 0 DBADHO [NH3+][C@@H]1CCCO[C@@H]1C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923648513 807696188 /nfs/dbraw/zinc/69/61/88/807696188.db2.gz TYWFPEWOEAFVTH-CHWSQXEVSA-N 1 3 303.428 -0.494 20 0 DBADHO [NH3+][C@@H]1CCCO[C@H]1C1CCN(S(=O)(=O)C2CNC2)CC1 ZINC000923648514 807696230 /nfs/dbraw/zinc/69/62/30/807696230.db2.gz TYWFPEWOEAFVTH-OLZOCXBDSA-N 1 3 303.428 -0.494 20 0 DBADHO C[NH+](C)CCC[C@H]1CN(S(=O)(=O)N2CCNCC2)CCO1 ZINC000923658199 807698341 /nfs/dbraw/zinc/69/83/41/807698341.db2.gz CUYCDALSFYCBAD-ZDUSSCGKSA-N 1 3 320.459 -0.821 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCOC1 ZINC001330368487 807704709 /nfs/dbraw/zinc/70/47/09/807704709.db2.gz MTNLCVFUPSFVPA-ZDUSSCGKSA-N 1 3 314.430 -0.909 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C2CCN(CC[NH+](C)C)CC2)C1=O ZINC000924466314 807717118 /nfs/dbraw/zinc/71/71/18/807717118.db2.gz YFBQSIJACXDXDG-ZDUSSCGKSA-N 1 3 311.430 -0.506 20 0 DBADHO C[C@H]1C[N@H+](CCCN2C(=O)N[C@@H](CN(C)C)C2=O)CCCO1 ZINC000924744669 807722251 /nfs/dbraw/zinc/72/22/51/807722251.db2.gz RVPQIGCSDHCUMF-STQMWFEESA-N 1 3 312.414 -0.031 20 0 DBADHO C[C@H]1C[N@@H+](CCCN2C(=O)N[C@@H](CN(C)C)C2=O)CCCO1 ZINC000924744669 807722255 /nfs/dbraw/zinc/72/22/55/807722255.db2.gz RVPQIGCSDHCUMF-STQMWFEESA-N 1 3 312.414 -0.031 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@@H+]4C)C3)C[C@@H]21 ZINC001330542680 807731128 /nfs/dbraw/zinc/73/11/28/807731128.db2.gz XCFVHEVYXSSYDC-TUVASFSCSA-N 1 3 320.437 -0.299 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)C[C@@H]21 ZINC001330542680 807731132 /nfs/dbraw/zinc/73/11/32/807731132.db2.gz XCFVHEVYXSSYDC-TUVASFSCSA-N 1 3 320.437 -0.299 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001330614845 807739523 /nfs/dbraw/zinc/73/95/23/807739523.db2.gz WJMJXXJRTQGOJW-ZDEQEGDKSA-N 1 3 324.425 -0.384 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CC[C@H]1C[NH3+] ZINC000926327720 807759352 /nfs/dbraw/zinc/75/93/52/807759352.db2.gz IBKDNBWQQHYTDX-KGLIPLIRSA-N 1 3 310.442 -0.016 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CC[C@@H]1C[NH3+] ZINC000926327721 807759625 /nfs/dbraw/zinc/75/96/25/807759625.db2.gz IBKDNBWQQHYTDX-UONOGXRCSA-N 1 3 310.442 -0.016 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC[C@H]1C[NH3+] ZINC000926358794 807764851 /nfs/dbraw/zinc/76/48/51/807764851.db2.gz FZSKEKLIPDNYQL-STQMWFEESA-N 1 3 310.442 -0.018 20 0 DBADHO CCO[C@@H](CNC(=O)NCCN1CC[C@@H](O)C1)C[NH+](C)C ZINC000926855289 807780200 /nfs/dbraw/zinc/78/02/00/807780200.db2.gz SYRCVIPQGYNPLP-OLZOCXBDSA-N 1 3 302.419 -0.681 20 0 DBADHO CN1CCN(CCCCNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001332095035 807870841 /nfs/dbraw/zinc/87/08/41/807870841.db2.gz WVMITZRSKDRMAG-UHFFFAOYSA-N 1 3 323.445 -0.616 20 0 DBADHO CN1C[C@@H](O)C[C@]1(C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001332390225 807911026 /nfs/dbraw/zinc/91/10/26/807911026.db2.gz FFXPWHSCEPDWJX-GOEBONIOSA-N 1 3 312.458 -0.415 20 0 DBADHO CCN1CCN(CCNC(=O)COC2CC[NH+](C)CC2)CC1 ZINC000932700975 807976495 /nfs/dbraw/zinc/97/64/95/807976495.db2.gz GOWSHSPLUYYURF-UHFFFAOYSA-N 1 3 312.458 -0.149 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001333543837 808073700 /nfs/dbraw/zinc/07/37/00/808073700.db2.gz SVIRRFHPJUCPHA-UONOGXRCSA-N 1 3 324.425 -0.776 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@@H+]2C2CCOCC2)C1=O ZINC001334388374 808160268 /nfs/dbraw/zinc/16/02/68/808160268.db2.gz BSSYCKXODOSZFB-OLZOCXBDSA-N 1 3 310.398 -0.278 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@H+]2C2CCOCC2)C1=O ZINC001334388374 808160271 /nfs/dbraw/zinc/16/02/71/808160271.db2.gz BSSYCKXODOSZFB-OLZOCXBDSA-N 1 3 310.398 -0.278 20 0 DBADHO [NH3+][C@H]1CCCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001335218725 808257749 /nfs/dbraw/zinc/25/77/49/808257749.db2.gz YPBHMKRODRVAAD-GXTWGEPZSA-N 1 3 324.425 -0.694 20 0 DBADHO COCC[NH2+]CCNC(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001335550950 808296100 /nfs/dbraw/zinc/29/61/00/808296100.db2.gz GJAOTVORUCRVDJ-ZIAGYGMSSA-N 1 3 314.430 -0.537 20 0 DBADHO CN(C)C1(C[NH2+]C[C@@H](O)CN2CCN(C)CC2)CCOCC1 ZINC001335970276 808334883 /nfs/dbraw/zinc/33/48/83/808334883.db2.gz NFYJQSSTNNZNKO-OAHLLOKOSA-N 1 3 314.474 -0.705 20 0 DBADHO CN1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001340249015 808630490 /nfs/dbraw/zinc/63/04/90/808630490.db2.gz MQIZQQOVVWOGSV-WBVHZDCISA-N 1 3 324.469 -0.244 20 0 DBADHO CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1CCCN(CC[NH3+])C1=O ZINC001341580048 808690394 /nfs/dbraw/zinc/69/03/94/808690394.db2.gz NFOFJPDWOISYIH-MELADBBJSA-N 1 3 308.426 -0.121 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951239664 808784125 /nfs/dbraw/zinc/78/41/25/808784125.db2.gz YSZKECFRAOTHKF-AWEZNQCLSA-N 1 3 320.437 -0.105 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951238214 808784242 /nfs/dbraw/zinc/78/42/42/808784242.db2.gz KHKJPVXECYCDPI-CYBMUJFWSA-N 1 3 317.393 -0.235 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000955350386 809399636 /nfs/dbraw/zinc/39/96/36/809399636.db2.gz SKPRHKJZQVDKMM-RISCZKNCSA-N 1 3 319.409 -0.181 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000955350386 809399641 /nfs/dbraw/zinc/39/96/41/809399641.db2.gz SKPRHKJZQVDKMM-RISCZKNCSA-N 1 3 319.409 -0.181 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955443795 809417988 /nfs/dbraw/zinc/41/79/88/809417988.db2.gz ANYSQGJTDFCAMC-RISCZKNCSA-N 1 3 319.409 -0.181 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)Cc2c[nH]cn2)C1 ZINC000955443795 809417993 /nfs/dbraw/zinc/41/79/93/809417993.db2.gz ANYSQGJTDFCAMC-RISCZKNCSA-N 1 3 319.409 -0.181 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001039172694 815296306 /nfs/dbraw/zinc/29/63/06/815296306.db2.gz BUNFFERSTXDFPW-HUUCEWRRSA-N 1 3 322.453 -0.016 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001039172694 815296309 /nfs/dbraw/zinc/29/63/09/815296309.db2.gz BUNFFERSTXDFPW-HUUCEWRRSA-N 1 3 322.453 -0.016 20 0 DBADHO O=C(NC[C@H]1CN(CCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC000958174458 809794645 /nfs/dbraw/zinc/79/46/45/809794645.db2.gz DLUOJYVVTXALCZ-UONOGXRCSA-N 1 3 311.426 -0.736 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@H+](CCO)C[C@H]2O)c1 ZINC000958716665 810010761 /nfs/dbraw/zinc/01/07/61/810010761.db2.gz NRLAZGHJVATRGV-HZPDHXFCSA-N 1 3 321.421 -0.237 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958716665 810010764 /nfs/dbraw/zinc/01/07/64/810010764.db2.gz NRLAZGHJVATRGV-HZPDHXFCSA-N 1 3 321.421 -0.237 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)CC1 ZINC000961665884 810339805 /nfs/dbraw/zinc/33/98/05/810339805.db2.gz VKKTUEQLXRYNKR-FICVDOATSA-N 1 3 318.425 -0.334 20 0 DBADHO C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3CN([C@@H]4CCNC4=O)C[C@H]32)CC1 ZINC000961959183 810411293 /nfs/dbraw/zinc/41/12/93/810411293.db2.gz SCHJNCJRBJMBKG-CTASWTNQSA-N 1 3 320.437 -0.347 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000967926508 811319482 /nfs/dbraw/zinc/31/94/82/811319482.db2.gz XIRPDVOLBOAUHU-CHWSQXEVSA-N 1 3 309.414 -0.704 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC000968719265 811485170 /nfs/dbraw/zinc/48/51/70/811485170.db2.gz OZXOQXDEBBFTFR-NWDGAFQWSA-N 1 3 322.413 -0.877 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CCN3CCNC3=O)C2)CCC1 ZINC000968907271 811511747 /nfs/dbraw/zinc/51/17/47/811511747.db2.gz KGGGPXKELMCXDX-CYBMUJFWSA-N 1 3 323.441 -0.314 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC000968907223 811512619 /nfs/dbraw/zinc/51/26/19/811512619.db2.gz GZNKHADOYVDEGV-CHWSQXEVSA-N 1 3 308.426 -0.060 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011647967 812922517 /nfs/dbraw/zinc/92/25/17/812922517.db2.gz MFTWYIFVULVVFA-CYBMUJFWSA-N 1 3 319.409 -0.035 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001011647967 812922525 /nfs/dbraw/zinc/92/25/25/812922525.db2.gz MFTWYIFVULVVFA-CYBMUJFWSA-N 1 3 319.409 -0.035 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001012564912 813073668 /nfs/dbraw/zinc/07/36/68/813073668.db2.gz IKPNMGCZPQCKEI-TZMCWYRMSA-N 1 3 319.409 -0.179 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001012564912 813073676 /nfs/dbraw/zinc/07/36/76/813073676.db2.gz IKPNMGCZPQCKEI-TZMCWYRMSA-N 1 3 319.409 -0.179 20 0 DBADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001014963050 813340695 /nfs/dbraw/zinc/34/06/95/813340695.db2.gz MZYBJYANHKCMJL-KGLIPLIRSA-N 1 3 306.414 -0.047 20 0 DBADHO CN1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014963050 813340701 /nfs/dbraw/zinc/34/07/01/813340701.db2.gz MZYBJYANHKCMJL-KGLIPLIRSA-N 1 3 306.414 -0.047 20 0 DBADHO O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001015325542 813408315 /nfs/dbraw/zinc/40/83/15/813408315.db2.gz UBSYIEWSZQVGCX-WJEHIRDRSA-N 1 3 309.410 -0.578 20 0 DBADHO O=C(N[C@H]1CCN(CCCO)C1)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001015325542 813408321 /nfs/dbraw/zinc/40/83/21/813408321.db2.gz UBSYIEWSZQVGCX-WJEHIRDRSA-N 1 3 309.410 -0.578 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001018962978 814032524 /nfs/dbraw/zinc/03/25/24/814032524.db2.gz SOLQYDQJBGJKEG-QWHCGFSZSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001018971638 814032855 /nfs/dbraw/zinc/03/28/55/814032855.db2.gz LXXWFZBDVKVGGW-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(N1CC[C@H](N[C@H]2CCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC001019030786 814053409 /nfs/dbraw/zinc/05/34/09/814053409.db2.gz TYDXYBHZBAKCKZ-KBPBESRZSA-N 1 3 320.437 -0.059 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001019394448 814151406 /nfs/dbraw/zinc/15/14/06/814151406.db2.gz HBPPHUJHDUOSLJ-STQMWFEESA-N 1 3 324.425 -0.334 20 0 DBADHO CN1CC[C@H]([NH2+][C@H]2CCCN(C(=O)[C@H]3CCCN3C)C2)C1=O ZINC001030020194 814392728 /nfs/dbraw/zinc/39/27/28/814392728.db2.gz WZQLAJRMMHSGFE-MELADBBJSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H](O)CN1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489676 814520346 /nfs/dbraw/zinc/52/03/46/814520346.db2.gz IYZYNUPGXMSLPH-UKRRQHHQSA-N 1 3 323.441 -0.028 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001034971327 814759072 /nfs/dbraw/zinc/75/90/72/814759072.db2.gz KFCWOFZWFKZGJL-FRRDWIJNSA-N 1 3 324.425 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/nfs/dbraw/zinc/75/46/67/816754667.db2.gz SSESACQYEJBHQO-INIZCTEOSA-N 1 3 324.469 -0.317 20 0 DBADHO CO[C@@H](C)CN1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047510807 817178945 /nfs/dbraw/zinc/17/89/45/817178945.db2.gz BOYIRLXJIDXLHP-QEJZJMRPSA-N 1 3 313.442 -0.133 20 0 DBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048720278 817412163 /nfs/dbraw/zinc/41/21/63/817412163.db2.gz JGZZTJUVXKJRRU-CRWXNKLISA-N 1 3 306.410 -0.641 20 0 DBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1 ZINC001048720278 817412168 /nfs/dbraw/zinc/41/21/68/817412168.db2.gz JGZZTJUVXKJRRU-CRWXNKLISA-N 1 3 306.410 -0.641 20 0 DBADHO CN(C)C(=O)CN1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048863624 817462540 /nfs/dbraw/zinc/46/25/40/817462540.db2.gz IYBUTAGYPHRMNY-IJEWVQPXSA-N 1 3 322.453 -0.195 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048863960 817464636 /nfs/dbraw/zinc/46/46/36/817464636.db2.gz QYBBQHILGMSVCQ-SPWCGHHHSA-N 1 3 322.453 -0.149 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001048887801 817472810 /nfs/dbraw/zinc/47/28/10/817472810.db2.gz FASFEFCNPHRWMC-BARDWOONSA-N 1 3 322.453 -0.053 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001048887801 817472815 /nfs/dbraw/zinc/47/28/15/817472815.db2.gz FASFEFCNPHRWMC-BARDWOONSA-N 1 3 322.453 -0.053 20 0 DBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048943420 817487449 /nfs/dbraw/zinc/48/74/49/817487449.db2.gz CJLURSLZFICFKJ-HJTLVLNNSA-N 1 3 321.421 -0.768 20 0 DBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048943420 817487458 /nfs/dbraw/zinc/48/74/58/817487458.db2.gz CJLURSLZFICFKJ-HJTLVLNNSA-N 1 3 321.421 -0.768 20 0 DBADHO C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]2CN(CC(=O)N(C)C)C[C@H]2C1 ZINC001049057110 817518403 /nfs/dbraw/zinc/51/84/03/817518403.db2.gz MFVYLEHTWCOKIR-SOUVJXGZSA-N 1 3 322.453 -0.051 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821486233 /nfs/dbraw/zinc/48/62/33/821486233.db2.gz QHWRRPOAVFAROR-OBJOEFQTSA-N 1 3 306.414 -0.154 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@]1(C)C[NH2+][C@@H]1CCNC1=O ZINC001075169372 821494765 /nfs/dbraw/zinc/49/47/65/821494765.db2.gz IUGVMDRVFKRZLT-AXAPSJFSSA-N 1 3 319.409 -0.085 20 0 DBADHO O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O)C12CCC[NH+]1CCC2 ZINC001077299665 822072367 /nfs/dbraw/zinc/07/23/67/822072367.db2.gz MJFCIFXGFXHIMJ-RBSFLKMASA-N 1 3 323.437 -0.187 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001077618494 822168721 /nfs/dbraw/zinc/16/87/21/822168721.db2.gz KDSCXOVHTMZUGA-BPLDGKMQSA-N 1 3 311.426 -0.474 20 0 DBADHO O=C(N[C@@H]1CN(CC[C@@H]2CCOC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078012058 822317433 /nfs/dbraw/zinc/31/74/33/822317433.db2.gz SWWPLHVPYLIETQ-RBSFLKMASA-N 1 3 323.437 -0.330 20 0 DBADHO COC[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078017920 822319821 /nfs/dbraw/zinc/31/98/21/822319821.db2.gz DYTYWSFSABCWCZ-NJZAAPMLSA-N 1 3 322.409 -0.043 20 0 DBADHO COC[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078017920 822319828 /nfs/dbraw/zinc/31/98/28/822319828.db2.gz DYTYWSFSABCWCZ-NJZAAPMLSA-N 1 3 322.409 -0.043 20 0 DBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+][C@H]1CCNC1=O ZINC001082557454 824449657 /nfs/dbraw/zinc/44/96/57/824449657.db2.gz FXANZVFGNYXWCL-FRRDWIJNSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+][C@@H]1CCNC1=O ZINC001082562148 824450035 /nfs/dbraw/zinc/45/00/35/824450035.db2.gz RHOPHILQWSGHRY-MRVWCRGKSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@H]1NCC(N)=O ZINC001082663378 824455845 /nfs/dbraw/zinc/45/58/45/824455845.db2.gz LKWMRVPBRSYSNP-KYOSRNDESA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCc1cnnn1C ZINC001082919896 824470264 /nfs/dbraw/zinc/47/02/64/824470264.db2.gz JLLIFQBIVVLPQA-MBNYWOFBSA-N 1 3 306.414 -0.297 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cnnn1C ZINC001082919896 824470267 /nfs/dbraw/zinc/47/02/67/824470267.db2.gz JLLIFQBIVVLPQA-MBNYWOFBSA-N 1 3 306.414 -0.297 20 0 DBADHO CC(C)N1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654923 824714153 /nfs/dbraw/zinc/71/41/53/824714153.db2.gz MNUBLSZREIORGN-NHGZVPIDSA-N 1 3 309.410 -0.581 20 0 DBADHO CC(C)N1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654923 824714156 /nfs/dbraw/zinc/71/41/56/824714156.db2.gz MNUBLSZREIORGN-NHGZVPIDSA-N 1 3 309.410 -0.581 20 0 DBADHO CC(C)N1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654922 824714224 /nfs/dbraw/zinc/71/42/24/824714224.db2.gz MNUBLSZREIORGN-MXIHSMQYSA-N 1 3 309.410 -0.581 20 0 DBADHO CC(C)N1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654922 824714231 /nfs/dbraw/zinc/71/42/31/824714231.db2.gz MNUBLSZREIORGN-MXIHSMQYSA-N 1 3 309.410 -0.581 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CCC1 ZINC001114405246 828688043 /nfs/dbraw/zinc/68/80/43/828688043.db2.gz PLFDBNJSXMZSDC-QNWHQSFQSA-N 1 3 306.410 -0.594 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCC1 ZINC001114405246 828688046 /nfs/dbraw/zinc/68/80/46/828688046.db2.gz PLFDBNJSXMZSDC-QNWHQSFQSA-N 1 3 306.410 -0.594 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001083750204 824760319 /nfs/dbraw/zinc/76/03/19/824760319.db2.gz KDSCXOVHTMZUGA-CFVMTHIKSA-N 1 3 311.426 -0.474 20 0 DBADHO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114411935 828690114 /nfs/dbraw/zinc/69/01/14/828690114.db2.gz NGGYWMGKZMLQNT-NYTXWWLZSA-N 1 3 311.426 -0.476 20 0 DBADHO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114411935 828690116 /nfs/dbraw/zinc/69/01/16/828690116.db2.gz NGGYWMGKZMLQNT-NYTXWWLZSA-N 1 3 311.426 -0.476 20 0 DBADHO CC(C)CN1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851286 824792753 /nfs/dbraw/zinc/79/27/53/824792753.db2.gz XRAHXOPOKVWAQD-CABCVRRESA-N 1 3 323.441 -0.124 20 0 DBADHO O=C(N[C@@H]1CN(CC[C@H]2CCCO2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958737 824842429 /nfs/dbraw/zinc/84/24/29/824842429.db2.gz SWCIBLCKQSFRLB-KFWWJZLASA-N 1 3 323.437 -0.187 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)N(C)C ZINC001114794200 828743485 /nfs/dbraw/zinc/74/34/85/828743485.db2.gz DORLMYXBGYZAPE-CBBWQLFWSA-N 1 3 313.442 -0.372 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)N(C)C ZINC001114794200 828743488 /nfs/dbraw/zinc/74/34/88/828743488.db2.gz DORLMYXBGYZAPE-CBBWQLFWSA-N 1 3 313.442 -0.372 20 0 DBADHO COC[C@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114795179 828744274 /nfs/dbraw/zinc/74/42/74/828744274.db2.gz XOXIMZRYYVLJDG-NIFZNCRKSA-N 1 3 313.442 -0.374 20 0 DBADHO COC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114795179 828744275 /nfs/dbraw/zinc/74/42/75/828744275.db2.gz XOXIMZRYYVLJDG-NIFZNCRKSA-N 1 3 313.442 -0.374 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001114769654 828740390 /nfs/dbraw/zinc/74/03/90/828740390.db2.gz HCFGBKJWUHFTPI-FICVDOATSA-N 1 3 311.426 -0.617 20 0 DBADHO C[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086153251 825187218 /nfs/dbraw/zinc/18/72/18/825187218.db2.gz ZURLZJSKJFOYFW-PSFMNVLLSA-N 1 3 323.437 -0.285 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001115081072 828784506 /nfs/dbraw/zinc/78/45/06/828784506.db2.gz KJHRZHLBHFUEBO-NHAGDIPZSA-N 1 3 323.441 -0.600 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001115081072 828784511 /nfs/dbraw/zinc/78/45/11/828784511.db2.gz KJHRZHLBHFUEBO-NHAGDIPZSA-N 1 3 323.441 -0.600 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001115118696 828788636 /nfs/dbraw/zinc/78/86/36/828788636.db2.gz KHDMMPLAIAIJQN-TTZDDIAXSA-N 1 3 311.426 -0.617 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001115118696 828788640 /nfs/dbraw/zinc/78/86/40/828788640.db2.gz KHDMMPLAIAIJQN-TTZDDIAXSA-N 1 3 311.426 -0.617 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115159210 828794803 /nfs/dbraw/zinc/79/48/03/828794803.db2.gz GCXGIDLNJJRRIY-ZAZJYDDPSA-N 1 3 322.409 -0.820 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115159210 828794806 /nfs/dbraw/zinc/79/48/06/828794806.db2.gz GCXGIDLNJJRRIY-ZAZJYDDPSA-N 1 3 322.409 -0.820 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001115160186 828794947 /nfs/dbraw/zinc/79/49/47/828794947.db2.gz QJDTXOYENKDOSA-SFDCQRBFSA-N 1 3 308.426 -0.347 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001115160186 828794954 /nfs/dbraw/zinc/79/49/54/828794954.db2.gz QJDTXOYENKDOSA-SFDCQRBFSA-N 1 3 308.426 -0.347 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001115161555 828795932 /nfs/dbraw/zinc/79/59/32/828795932.db2.gz HTIYYAMEKDEWKB-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(CC)C3=O)C[C@H]21 ZINC001115161555 828795934 /nfs/dbraw/zinc/79/59/34/828795934.db2.gz HTIYYAMEKDEWKB-CTASWTNQSA-N 1 3 322.453 -0.005 20 0 DBADHO COCCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC001090393240 825674464 /nfs/dbraw/zinc/67/44/64/825674464.db2.gz HXUMJAYURSGLNG-UONOGXRCSA-N 1 3 311.426 -0.187 20 0 DBADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCN(CCO)C[C@H]1O ZINC001090830656 825863048 /nfs/dbraw/zinc/86/30/48/825863048.db2.gz NZASOXZEPLSPDZ-HZPDHXFCSA-N 1 3 321.421 -0.095 20 0 DBADHO C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCN(CCO)C[C@@H]1O ZINC001090830652 825863614 /nfs/dbraw/zinc/86/36/14/825863614.db2.gz NZASOXZEPLSPDZ-CVEARBPZSA-N 1 3 321.421 -0.095 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001161226814 832992330 /nfs/dbraw/zinc/99/23/30/832992330.db2.gz PRRNLHGBQYBDIC-LLVKDONJSA-N 1 3 312.414 -0.382 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@@](F)(C[NH3+])C1 ZINC001161245322 832994357 /nfs/dbraw/zinc/99/43/57/832994357.db2.gz CMUBNXWKYVWBFU-COPLHBTASA-N 1 3 302.394 -0.236 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@](F)(C[NH3+])C2)COC1(C)C ZINC001161246183 832994603 /nfs/dbraw/zinc/99/46/03/832994603.db2.gz JJVBDZZNEQFJSW-BHDSKKPTSA-N 1 3 316.377 -0.804 20 0 DBADHO CNC(=O)NC1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001161268374 832996783 /nfs/dbraw/zinc/99/67/83/832996783.db2.gz GOUOWJAHHZSPBI-CYBMUJFWSA-N 1 3 323.441 -0.219 20 0 DBADHO CNC(=O)NC1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001161268374 832996785 /nfs/dbraw/zinc/99/67/85/832996785.db2.gz GOUOWJAHHZSPBI-CYBMUJFWSA-N 1 3 323.441 -0.219 20 0 DBADHO CNC(=O)NC1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001161268956 832996818 /nfs/dbraw/zinc/99/68/18/832996818.db2.gz ODBSDDQRGKUDBB-ZDUSSCGKSA-N 1 3 313.446 -0.034 20 0 DBADHO CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)C2CC[NH2+]CC2)C1 ZINC001161289224 832998038 /nfs/dbraw/zinc/99/80/38/832998038.db2.gz OJJLBSZIKILRJW-OLZOCXBDSA-N 1 3 311.430 -0.425 20 0 DBADHO CN(C)C(=O)N[C@@H]1CCCN(C(=O)[C@@H](N)CSCC[NH3+])C1 ZINC001161295521 832998596 /nfs/dbraw/zinc/99/85/96/832998596.db2.gz KVAXBODTTOQYMN-MNOVXSKESA-N 1 3 317.459 -0.732 20 0 DBADHO CCN(C(=O)[C@H]1CCS(=O)(=O)C12CNC2)[C@@H]1CCC[NH2+]C1 ZINC001161333591 833006387 /nfs/dbraw/zinc/00/63/87/833006387.db2.gz VBIVGVLIQGYDCL-VXGBXAGGSA-N 1 3 315.439 -0.636 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]1CNCCO1)CC2 ZINC001161480142 833022893 /nfs/dbraw/zinc/02/28/93/833022893.db2.gz SFNLUZDRLXETQY-YWPYICTPSA-N 1 3 311.382 -0.882 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C[C@H]1CNCCO1)CC2 ZINC001161480143 833023570 /nfs/dbraw/zinc/02/35/70/833023570.db2.gz SFNLUZDRLXETQY-ZOWXZIJZSA-N 1 3 311.382 -0.882 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)[C@H](N)Cc1c[nH]cn1)CC2 ZINC001161479611 833023600 /nfs/dbraw/zinc/02/36/00/833023600.db2.gz PUZHKVBNKVAPLB-XUJVJEKNSA-N 1 3 321.381 -0.967 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161601641 833040461 /nfs/dbraw/zinc/04/04/61/833040461.db2.gz IKANSAAUVQBNNX-YNEHKIRRSA-N 1 3 302.394 -0.676 20 0 DBADHO CC[C@@H](C(=O)N1CCC([N@H+](CCO)CCCO)CC1)N(C)C ZINC001098479903 826490332 /nfs/dbraw/zinc/49/03/32/826490332.db2.gz FIBZEKFJBMCNMA-HNNXBMFYSA-N 1 3 315.458 -0.006 20 0 DBADHO CC[C@@H](C(=O)N1CCC([N@@H+](CCO)CCCO)CC1)N(C)C ZINC001098479903 826490337 /nfs/dbraw/zinc/49/03/37/826490337.db2.gz FIBZEKFJBMCNMA-HNNXBMFYSA-N 1 3 315.458 -0.006 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098478034 826490414 /nfs/dbraw/zinc/49/04/14/826490414.db2.gz SHTZACOCOROAQW-AWEZNQCLSA-N 1 3 313.442 -0.394 20 0 DBADHO C[NH+](C)CCCC(=O)NC/C=C\CN[C@H]1CCC(=O)NC1=O ZINC001274318385 833060803 /nfs/dbraw/zinc/06/08/03/833060803.db2.gz OLFPRUCPQZRUIS-MVZIDQBPSA-N 1 3 310.398 -0.605 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099894124 826716701 /nfs/dbraw/zinc/71/67/01/826716701.db2.gz FUTXWLRRAYFCJE-CHWSQXEVSA-N 1 3 301.431 -0.350 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001099894124 826716702 /nfs/dbraw/zinc/71/67/02/826716702.db2.gz FUTXWLRRAYFCJE-CHWSQXEVSA-N 1 3 301.431 -0.350 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971935 826752076 /nfs/dbraw/zinc/75/20/76/826752076.db2.gz OIADGIJGPCKFFK-KBPBESRZSA-N 1 3 313.442 -0.084 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971937 826752276 /nfs/dbraw/zinc/75/22/76/826752276.db2.gz OIADGIJGPCKFFK-UONOGXRCSA-N 1 3 313.442 -0.084 20 0 DBADHO Cn1nccc1CCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986942 826760933 /nfs/dbraw/zinc/76/09/33/826760933.db2.gz RKSRALACHQWBRB-HUUCEWRRSA-N 1 3 323.441 -0.534 20 0 DBADHO CCN(CC)CC(=O)N[C@H]1CC[N@H+](CCCOC)C[C@H]1O ZINC001100041231 826790816 /nfs/dbraw/zinc/79/08/16/826790816.db2.gz GIJZFRRMUZNNGJ-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)N[C@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001100041231 826790819 /nfs/dbraw/zinc/79/08/19/826790819.db2.gz GIJZFRRMUZNNGJ-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001100067825 826819546 /nfs/dbraw/zinc/81/95/46/826819546.db2.gz YGYQJWWHURLBKU-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100067825 826819561 /nfs/dbraw/zinc/81/95/61/826819561.db2.gz YGYQJWWHURLBKU-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074938 826827232 /nfs/dbraw/zinc/82/72/32/826827232.db2.gz VQZYWUAQUWYCMG-ZIAGYGMSSA-N 1 3 317.430 -0.848 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCOC)C[C@H]1O ZINC001100080871 826834203 /nfs/dbraw/zinc/83/42/03/826834203.db2.gz NNHVAVJENPINKA-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001100080871 826834217 /nfs/dbraw/zinc/83/42/17/826834217.db2.gz NNHVAVJENPINKA-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001100084091 826839249 /nfs/dbraw/zinc/83/92/49/826839249.db2.gz XTBORZKMAIAOGM-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001100084091 826839262 /nfs/dbraw/zinc/83/92/62/826839262.db2.gz XTBORZKMAIAOGM-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO COC[C@@H](O)C[NH+]1CCC2(CCN(CCN(C)C)C2=O)CC1 ZINC001274642768 833114990 /nfs/dbraw/zinc/11/49/90/833114990.db2.gz HQESBKURHSVCFT-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO COCCC[N@@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100132691 826882902 /nfs/dbraw/zinc/88/29/02/826882902.db2.gz XNIDPKCLSQCXFK-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO COCCC[N@H+]1CC[C@H](NC(=O)CN(C)C(C)C)[C@@H](O)C1 ZINC001100132691 826882912 /nfs/dbraw/zinc/88/29/12/826882912.db2.gz XNIDPKCLSQCXFK-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO CN(C)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872646 833122933 /nfs/dbraw/zinc/12/29/33/833122933.db2.gz ZCOFCKLLJXIMPU-UYJPIKCFSA-N 1 3 324.425 -0.966 20 0 DBADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H](C2CC2)N(C)C)C1 ZINC001100407898 826959745 /nfs/dbraw/zinc/95/97/45/826959745.db2.gz NOZKZXXRHRBCNA-HGMXIMQMSA-N 1 3 310.442 -0.053 20 0 DBADHO CN(CC(=O)NCC1CC([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001100410607 826960184 /nfs/dbraw/zinc/96/01/84/826960184.db2.gz DYISMMUGAFMHNJ-ORHYLEIMSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC2CC([NH2+]CC(=O)N(C)C)C2)C1 ZINC001100678644 827000941 /nfs/dbraw/zinc/00/09/41/827000941.db2.gz RWKXZVOSUBRDJU-HSBZDZAISA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H](C(=O)NCC1CC([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001100683700 827001580 /nfs/dbraw/zinc/00/15/80/827001580.db2.gz NUQPUBHYZRRFNZ-HOAMVYINSA-N 1 3 301.431 -0.182 20 0 DBADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCN(C)C)C[C@H]12 ZINC001274981524 833144707 /nfs/dbraw/zinc/14/47/07/833144707.db2.gz KVMCSPPEFKFYRD-HUUCEWRRSA-N 1 3 324.469 -0.293 20 0 DBADHO COCCN1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001274981524 833144712 /nfs/dbraw/zinc/14/47/12/833144712.db2.gz KVMCSPPEFKFYRD-HUUCEWRRSA-N 1 3 324.469 -0.293 20 0 DBADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](C[C@H]3CCC(=O)N3)C[C@H]2CC1 ZINC001275186422 833156300 /nfs/dbraw/zinc/15/63/00/833156300.db2.gz LAAZZVMPEFPNBU-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](C[C@H]3CCC(=O)N3)C[C@H]2CC1 ZINC001275186422 833156304 /nfs/dbraw/zinc/15/63/04/833156304.db2.gz LAAZZVMPEFPNBU-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO CCOC(=O)c1cn(-c2ncnc3c2CC[NH2+]C3)nc1CN ZINC001163520426 833156456 /nfs/dbraw/zinc/15/64/56/833156456.db2.gz KDPVUUHGEFTKKO-UHFFFAOYSA-N 1 3 302.338 -0.057 20 0 DBADHO C[C@@H]1CN([C@H]2CCNC2=O)C[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001102288624 827194297 /nfs/dbraw/zinc/19/42/97/827194297.db2.gz NBLWDTFDUJGJJC-MCIONIFRSA-N 1 3 322.453 -0.099 20 0 DBADHO C[C@@H]1CN([C@H]2CCCNC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102318759 827198671 /nfs/dbraw/zinc/19/86/71/827198671.db2.gz IRYAOTNUOWANAF-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104291902 827338429 /nfs/dbraw/zinc/33/84/29/827338429.db2.gz ZFYNKTVVVHGXRK-KYOSRNDESA-N 1 3 310.442 -0.114 20 0 DBADHO CN1CCC(NC(=O)c2ccc(N3CC[C@H]([NH3+])C3)nn2)CC1 ZINC001164280939 833199708 /nfs/dbraw/zinc/19/97/08/833199708.db2.gz MGYFKJFYENNXEW-NSHDSACASA-N 1 3 304.398 -0.162 20 0 DBADHO CN(c1ncc(F)c(C2CC[NH2+]CC2)n1)S(=O)(=O)CCN ZINC001164286834 833199956 /nfs/dbraw/zinc/19/99/56/833199956.db2.gz BEYDIOMUSGVOFX-UHFFFAOYSA-N 1 3 317.390 -0.193 20 0 DBADHO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)S(=O)(=O)CCN)n1 ZINC001164287067 833200887 /nfs/dbraw/zinc/20/08/87/833200887.db2.gz IOAYOCNDYRCFNA-LLVKDONJSA-N 1 3 313.427 -0.023 20 0 DBADHO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCNCc2cnon2)C1 ZINC001164536547 833218461 /nfs/dbraw/zinc/21/84/61/833218461.db2.gz UVRRNDHECRISLJ-CYBMUJFWSA-N 1 3 311.386 -0.225 20 0 DBADHO CC(C)[N@H+]1CCO[C@@H](C(=O)NCCCNCc2cnon2)C1 ZINC001164536547 833218464 /nfs/dbraw/zinc/21/84/64/833218464.db2.gz UVRRNDHECRISLJ-CYBMUJFWSA-N 1 3 311.386 -0.225 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1C ZINC001106662768 827667665 /nfs/dbraw/zinc/66/76/65/827667665.db2.gz CFHIHVOLPBIMIJ-HZSPNIEDSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001106666893 827667877 /nfs/dbraw/zinc/66/78/77/827667877.db2.gz YQMTZCWSVORNPD-BFHYXJOUSA-N 1 3 310.442 -0.242 20 0 DBADHO C[C@@H](NCCCNC(=O)CC[NH+](C)C)C(=O)Nc1ncccn1 ZINC001165794018 833259699 /nfs/dbraw/zinc/25/96/99/833259699.db2.gz HPXZHANWMGSPAD-GFCCVEGCSA-N 1 3 322.413 -0.149 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)CN1CCC[C@@H]1C ZINC001166634445 833276603 /nfs/dbraw/zinc/27/66/03/833276603.db2.gz SBOHAMJUURYKAQ-NSHDSACASA-N 1 3 313.402 -0.978 20 0 DBADHO C[C@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(=O)NC(N)=O ZINC001166627102 833276749 /nfs/dbraw/zinc/27/67/49/833276749.db2.gz PWEPNYZTMXYIEN-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@H]1C)C(=O)NC(N)=O ZINC001166627100 833276758 /nfs/dbraw/zinc/27/67/58/833276758.db2.gz PWEPNYZTMXYIEN-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001166667982 833277084 /nfs/dbraw/zinc/27/70/84/833277084.db2.gz NDIBOMLQPFWDBV-ZDUSSCGKSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001166676834 833277470 /nfs/dbraw/zinc/27/74/70/833277470.db2.gz CYZZTXRFLFDLRM-RYUDHWBXSA-N 1 3 310.398 -0.771 20 0 DBADHO CC1(C)CCN(CC(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001166764611 833280435 /nfs/dbraw/zinc/28/04/35/833280435.db2.gz HPPXXKPLTCFFLB-LBPRGKRZSA-N 1 3 324.425 -0.381 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001166677381 833277755 /nfs/dbraw/zinc/27/77/55/833277755.db2.gz IOCJSINCZOQDAJ-CYBMUJFWSA-N 1 3 319.471 -0.141 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]CCOCCNC(C)=O)N(C)C ZINC001166866008 833283961 /nfs/dbraw/zinc/28/39/61/833283961.db2.gz LGCDNBJKERYWJA-AWEZNQCLSA-N 1 3 316.446 -0.425 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)COCCOC)N(C)C ZINC001166865212 833283975 /nfs/dbraw/zinc/28/39/75/833283975.db2.gz CMQJEHLFDVMVDZ-KGLIPLIRSA-N 1 3 319.446 -0.554 20 0 DBADHO COc1cc(NC(=N)NCCCC[NH3+])nc([S@@](C)=O)n1 ZINC001167877428 833312325 /nfs/dbraw/zinc/31/23/25/833312325.db2.gz CTANELZMNXHBCQ-HXUWFJFHSA-N 1 3 300.388 -0.102 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]CCOCCNC(C)=O ZINC001168756400 833327880 /nfs/dbraw/zinc/32/78/80/833327880.db2.gz XLJBYTCVAHNWJJ-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]CCCS(C)(=O)=O ZINC001168762711 833328300 /nfs/dbraw/zinc/32/83/00/833328300.db2.gz GWVNFTHYOSVNSY-UHFFFAOYSA-N 1 3 307.460 -0.141 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)C[C@@H]21 ZINC001117911101 829020896 /nfs/dbraw/zinc/02/08/96/829020896.db2.gz FACWLWSINSYRNP-KFWWJZLASA-N 1 3 320.437 -0.154 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@H+]4CCC[C@@H]4C3)C[C@@H]21 ZINC001117911101 829020907 /nfs/dbraw/zinc/02/09/07/829020907.db2.gz FACWLWSINSYRNP-KFWWJZLASA-N 1 3 320.437 -0.154 20 0 DBADHO C[NH+](C)CCOCC(=O)NCCCNCc1cnns1 ZINC001171205606 833367490 /nfs/dbraw/zinc/36/74/90/833367490.db2.gz UPZXJSZLPGIVKG-UHFFFAOYSA-N 1 3 301.416 -0.288 20 0 DBADHO Cc1nccnc1CNCCCNC(=O)COCC[NH+](C)C ZINC001171205230 833367497 /nfs/dbraw/zinc/36/74/97/833367497.db2.gz RHERWIAUXHDKDU-UHFFFAOYSA-N 1 3 309.414 -0.041 20 0 DBADHO COCCCN1CCC(N(C2C[NH2+]C2)S(C)(=O)=O)CC1 ZINC001172256263 833376616 /nfs/dbraw/zinc/37/66/16/833376616.db2.gz VDKFWDSJBFVJMX-UHFFFAOYSA-N 1 3 305.444 -0.279 20 0 DBADHO COCCCN1CCC([NH2+]CCS(=O)(=O)N(C)C)CC1 ZINC001172247857 833376810 /nfs/dbraw/zinc/37/68/10/833376810.db2.gz YKHONWYNIHLXFD-UHFFFAOYSA-N 1 3 307.460 -0.032 20 0 DBADHO COCCOC[C@H](O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119260478 829242664 /nfs/dbraw/zinc/24/26/64/829242664.db2.gz ATIYZPCXRRWEOF-MRXNPFEDSA-N 1 3 315.458 -0.278 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC001119352122 829251231 /nfs/dbraw/zinc/25/12/31/829251231.db2.gz JIYLXBQQWLIPPM-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119409453 829258702 /nfs/dbraw/zinc/25/87/02/829258702.db2.gz OIMLDFBQTCCATN-CRWXNKLISA-N 1 3 308.426 -0.204 20 0 DBADHO CN1CCN(CCCCNC(=O)[C@H]2[NH2+]CC23CCOCC3)CC1 ZINC001121904895 829526064 /nfs/dbraw/zinc/52/60/64/829526064.db2.gz FVFDMGVQWQHDDM-OAHLLOKOSA-N 1 3 324.469 -0.101 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975443 833442612 /nfs/dbraw/zinc/44/26/12/833442612.db2.gz RCHVVCDYHGIJCM-CQSZACIVSA-N 1 3 319.446 -0.554 20 0 DBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971537 833442810 /nfs/dbraw/zinc/44/28/10/833442810.db2.gz BZZFZNBNWFLLQF-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001176972077 833443002 /nfs/dbraw/zinc/44/30/02/833443002.db2.gz NFKGQZLKBKTUDM-UHFFFAOYSA-N 1 3 322.475 -0.686 20 0 DBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176981001 833443923 /nfs/dbraw/zinc/44/39/23/833443923.db2.gz VZWRAQZMCQXZQN-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO C[C@H]([NH2+]CCNC(=O)[C@H]1CCCN1C)C(=O)NCC(F)(F)F ZINC001124866867 829796749 /nfs/dbraw/zinc/79/67/49/829796749.db2.gz MJHBRMWFFMPGQK-VHSXEESVSA-N 1 3 324.347 -0.147 20 0 DBADHO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124866506 829796808 /nfs/dbraw/zinc/79/68/08/829796808.db2.gz DVHJNXQVAHCOLE-QWHCGFSZSA-N 1 3 314.430 -0.672 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1C ZINC001179987429 833565627 /nfs/dbraw/zinc/56/56/27/833565627.db2.gz WGWQYDJFPSLFMK-MJBXVCDLSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)(C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCCC1 ZINC001127322870 830001965 /nfs/dbraw/zinc/00/19/65/830001965.db2.gz ZIVYDKUYIVQTKX-GFCCVEGCSA-N 1 3 324.425 -0.238 20 0 DBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474714 830013609 /nfs/dbraw/zinc/01/36/09/830013609.db2.gz OETOSRFJNVWIOD-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)(C)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475653 830014477 /nfs/dbraw/zinc/01/44/77/830014477.db2.gz YBRARQPTQFLWCD-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN1CC[C@@H](NCCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001127481271 830014569 /nfs/dbraw/zinc/01/45/69/830014569.db2.gz QSADFUXNARWDSD-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127475617 830014696 /nfs/dbraw/zinc/01/46/96/830014696.db2.gz XAHQFIYGAXHCEJ-OAHLLOKOSA-N 1 3 322.453 -0.098 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780567 830032170 /nfs/dbraw/zinc/03/21/70/830032170.db2.gz ZXUYJMWIHHQQFT-OCCSQVGLSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780567 830032172 /nfs/dbraw/zinc/03/21/72/830032172.db2.gz ZXUYJMWIHHQQFT-OCCSQVGLSA-N 1 3 307.398 -0.511 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H]1CCCNC1=O ZINC001128533130 830094901 /nfs/dbraw/zinc/09/49/01/830094901.db2.gz HEYQQKOWCQXGTJ-NWDGAFQWSA-N 1 3 302.394 -0.349 20 0 DBADHO CN(C)C1(C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)CCC1 ZINC001129358657 830175508 /nfs/dbraw/zinc/17/55/08/830175508.db2.gz VXNPFYWKZVMHTR-UHFFFAOYSA-N 1 3 320.459 -0.932 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364069 830175838 /nfs/dbraw/zinc/17/58/38/830175838.db2.gz ONKYDOHISREIRK-JTQLQIEISA-N 1 3 313.402 -0.979 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129356158 830176120 /nfs/dbraw/zinc/17/61/20/830176120.db2.gz CHBPRWXZUJRANI-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129358878 830176196 /nfs/dbraw/zinc/17/61/96/830176196.db2.gz XCUDCEZRGPMMNF-CYBMUJFWSA-N 1 3 317.430 -0.800 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001129418269 830179032 /nfs/dbraw/zinc/17/90/32/830179032.db2.gz TZALTSVJZZJPPL-NSHDSACASA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCNCC(=O)NC(N)=O ZINC001129418269 830179037 /nfs/dbraw/zinc/17/90/37/830179037.db2.gz TZALTSVJZZJPPL-NSHDSACASA-N 1 3 313.402 -0.850 20 0 DBADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)[C@H](C2CC2)N(C)C)n1 ZINC001129435332 830180683 /nfs/dbraw/zinc/18/06/83/830180683.db2.gz FXKJRGAIDUVTRG-AWEZNQCLSA-N 1 3 308.430 -0.059 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532297 830187562 /nfs/dbraw/zinc/18/75/62/830187562.db2.gz YBVWPEDDDAUMEI-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)CN(C)C1CCC1)CS(C)(=O)=O ZINC001129535585 830188131 /nfs/dbraw/zinc/18/81/31/830188131.db2.gz XLUYHYCJGMSQTN-LBPRGKRZSA-N 1 3 319.471 -0.143 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129946959 830232030 /nfs/dbraw/zinc/23/20/30/830232030.db2.gz BWQZKZNREXFGNR-AWEZNQCLSA-N 1 3 316.446 -0.569 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C ZINC001129950422 830232901 /nfs/dbraw/zinc/23/29/01/830232901.db2.gz TVWOIRMTNSIADD-STQMWFEESA-N 1 3 321.487 -0.041 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130047505 830253273 /nfs/dbraw/zinc/25/32/73/830253273.db2.gz DVTNVCDWOAIWKH-KGLIPLIRSA-N 1 3 324.429 -0.392 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130107729 830264027 /nfs/dbraw/zinc/26/40/27/830264027.db2.gz XZVYOWAGRDQGTL-MCIONIFRSA-N 1 3 324.429 -0.658 20 0 DBADHO CN1CC[C@@H](NCCNC(=O)C23CCC[NH+](CCC2)C3)C1=O ZINC001130173515 830274358 /nfs/dbraw/zinc/27/43/58/830274358.db2.gz HDUFHNYMOOXEMJ-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H](O)COCCOC)N(C)C ZINC001130203857 830282299 /nfs/dbraw/zinc/28/22/99/830282299.db2.gz ZUMNUCZXANZAGD-CHWSQXEVSA-N 1 3 305.419 -0.944 20 0 DBADHO O=C(NCC[NH2+]CCn1cccn1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131520296 830478687 /nfs/dbraw/zinc/47/86/87/830478687.db2.gz XALSBRHQFATLFW-NPCAHTBFSA-N 1 3 319.409 -0.548 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519959 830479067 /nfs/dbraw/zinc/47/90/67/830479067.db2.gz PBXYSGIDUKECFC-UYJPIKCFSA-N 1 3 324.425 -0.966 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519959 830479075 /nfs/dbraw/zinc/47/90/75/830479075.db2.gz PBXYSGIDUKECFC-UYJPIKCFSA-N 1 3 324.425 -0.966 20 0 DBADHO O=C(NCC[NH2+]CC1CCOCC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131521970 830481227 /nfs/dbraw/zinc/48/12/27/830481227.db2.gz NLQMTOOULIELCS-CKDBGZEDSA-N 1 3 323.437 -0.018 20 0 DBADHO O=C(CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)N1CCC1 ZINC001131786517 830529701 /nfs/dbraw/zinc/52/97/01/830529701.db2.gz VQOCRPXLILVOMG-HNNXBMFYSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(NCCN[C@@H]1CCCNC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131791022 830530927 /nfs/dbraw/zinc/53/09/27/830530927.db2.gz ZBMHGKXTIRADEE-KGLIPLIRSA-N 1 3 308.426 -0.155 20 0 DBADHO CNC(=O)CNCCNC(=O)c1ccccc1CC[NH+](C)C ZINC001131799313 830533633 /nfs/dbraw/zinc/53/36/33/830533633.db2.gz MROYAGVRLPQZPW-UHFFFAOYSA-N 1 3 306.410 -0.144 20 0 DBADHO C[NH+](C)C1(CC(=O)NCCNCC(=O)NC(N)=O)CCCC1 ZINC001131837092 830541039 /nfs/dbraw/zinc/54/10/39/830541039.db2.gz OMXCUBBRWQIJNA-UHFFFAOYSA-N 1 3 313.402 -0.848 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)CC[NH+](C)C)CN1CCOCCO ZINC001132278451 830621719 /nfs/dbraw/zinc/62/17/19/830621719.db2.gz PADQXRKWXMTNDQ-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)(C(=O)NCCNCCNS(C)(=O)=O)[NH+]1CCCC1 ZINC001132286972 830622724 /nfs/dbraw/zinc/62/27/24/830622724.db2.gz PZQNEWBNSDZJIM-UHFFFAOYSA-N 1 3 320.459 -0.884 20 0 DBADHO CCC[N@@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001132738337 830688486 /nfs/dbraw/zinc/68/84/86/830688486.db2.gz ZGCZVMAUEJCGPM-STQMWFEESA-N 1 3 324.425 -0.381 20 0 DBADHO CCC[N@H+]1CCC[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001132738337 830688501 /nfs/dbraw/zinc/68/85/01/830688501.db2.gz ZGCZVMAUEJCGPM-STQMWFEESA-N 1 3 324.425 -0.381 20 0 DBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051732 830737392 /nfs/dbraw/zinc/73/73/92/830737392.db2.gz MTDZGNHBOJNCTP-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1C ZINC001133135206 830745279 /nfs/dbraw/zinc/74/52/79/830745279.db2.gz NJRDKEUANDGZCA-NWDGAFQWSA-N 1 3 307.398 -0.228 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133286140 830763008 /nfs/dbraw/zinc/76/30/08/830763008.db2.gz ZGHIXHAVNUKDAE-UHFFFAOYSA-N 1 3 310.442 -0.098 20 0 DBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434016 830775625 /nfs/dbraw/zinc/77/56/25/830775625.db2.gz HKRFKXMLZSTTHA-GFCCVEGCSA-N 1 3 322.475 -0.782 20 0 DBADHO CC[C@@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+](CC)CC ZINC001133690017 830810788 /nfs/dbraw/zinc/81/07/88/830810788.db2.gz GXCQFODTKWZTNE-LBPRGKRZSA-N 1 3 322.475 -0.638 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133819643 830830312 /nfs/dbraw/zinc/83/03/12/830830312.db2.gz KAMMCLKIYGYCIU-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133819643 830830323 /nfs/dbraw/zinc/83/03/23/830830323.db2.gz KAMMCLKIYGYCIU-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133824106 830831885 /nfs/dbraw/zinc/83/18/85/830831885.db2.gz XTVPEBSDLHKRPB-KBPBESRZSA-N 1 3 317.430 -0.800 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133824054 830832385 /nfs/dbraw/zinc/83/23/85/830832385.db2.gz WTJZYQFFMHHIDO-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCS(=O)(=O)C2)C1 ZINC001133845852 830837387 /nfs/dbraw/zinc/83/73/87/830837387.db2.gz OVMXMJFTCBGBQU-CHWSQXEVSA-N 1 3 317.455 -0.531 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001133849666 830837920 /nfs/dbraw/zinc/83/79/20/830837920.db2.gz BMPGFQHYVWOGAZ-QWHCGFSZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001133849666 830837931 /nfs/dbraw/zinc/83/79/31/830837931.db2.gz BMPGFQHYVWOGAZ-QWHCGFSZSA-N 1 3 310.442 -0.051 20 0 DBADHO CCS(=O)(=O)CCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133851110 830840157 /nfs/dbraw/zinc/84/01/57/830840157.db2.gz XAVAFKLODNFCRC-ZDUSSCGKSA-N 1 3 319.471 -0.141 20 0 DBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC001133866367 830842263 /nfs/dbraw/zinc/84/22/63/830842263.db2.gz LMPFNHJJBILINX-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC001133866367 830842267 /nfs/dbraw/zinc/84/22/67/830842267.db2.gz LMPFNHJJBILINX-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001133866175 830843122 /nfs/dbraw/zinc/84/31/22/830843122.db2.gz JSEYEGFGPICFOI-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001133866175 830843133 /nfs/dbraw/zinc/84/31/33/830843133.db2.gz JSEYEGFGPICFOI-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001133866176 830843211 /nfs/dbraw/zinc/84/32/11/830843211.db2.gz JSEYEGFGPICFOI-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001133866176 830843218 /nfs/dbraw/zinc/84/32/18/830843218.db2.gz JSEYEGFGPICFOI-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001133870969 830846250 /nfs/dbraw/zinc/84/62/50/830846250.db2.gz YBIJNAKPBRKPJY-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001133870969 830846254 /nfs/dbraw/zinc/84/62/54/830846254.db2.gz YBIJNAKPBRKPJY-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CCCNS(=O)(=O)CC)N(C)C ZINC001133963489 830866953 /nfs/dbraw/zinc/86/69/53/830866953.db2.gz WOPYSUZGOJELPT-LBPRGKRZSA-N 1 3 322.475 -0.638 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O)N(C)C ZINC001133963747 830867052 /nfs/dbraw/zinc/86/70/52/830867052.db2.gz YQLYFMYUUTXXGH-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H](COCC(=O)NCCN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001134058601 830885584 /nfs/dbraw/zinc/88/55/84/830885584.db2.gz VLSYJIZJCYGXBP-OLZOCXBDSA-N 1 3 312.414 -0.918 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001134120800 830894858 /nfs/dbraw/zinc/89/48/58/830894858.db2.gz HTFXDDVNVAHAAL-CABCVRRESA-N 1 3 318.421 -0.216 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001134120800 830894862 /nfs/dbraw/zinc/89/48/62/830894862.db2.gz HTFXDDVNVAHAAL-CABCVRRESA-N 1 3 318.421 -0.216 20 0 DBADHO COC[C@H](O)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134763180 830975836 /nfs/dbraw/zinc/97/58/36/830975836.db2.gz OTRIFBDLKBCFLC-ZIAGYGMSSA-N 1 3 301.431 -0.038 20 0 DBADHO CCCNC(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114645 831011495 /nfs/dbraw/zinc/01/14/95/831011495.db2.gz LIRPPNIMOCHJPT-UHFFFAOYSA-N 1 3 324.429 -0.710 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC ZINC001135513500 831080495 /nfs/dbraw/zinc/08/04/95/831080495.db2.gz POMGHHYYXIUAQE-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO CCN(CC)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135705666 831111108 /nfs/dbraw/zinc/11/11/08/831111108.db2.gz HGXJHKLCDGJZPA-WDEREUQCSA-N 1 3 315.418 -0.604 20 0 DBADHO O=C(NCC[NH2+]CCO)C1CCN(Cc2ccncc2)CC1 ZINC001142347761 831210915 /nfs/dbraw/zinc/21/09/15/831210915.db2.gz OHAUJFDCSKQZBZ-UHFFFAOYSA-N 1 3 306.410 -0.008 20 0 DBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1C[C@@H](O)CN1C(C)=O ZINC001143040421 831227466 /nfs/dbraw/zinc/22/74/66/831227466.db2.gz PJAPXMTWMNSTHX-NEPJUHHUSA-N 1 3 313.402 -0.968 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001146718903 831292779 /nfs/dbraw/zinc/29/27/79/831292779.db2.gz KQKWANKPQCGIOJ-UHFFFAOYSA-N 1 3 310.398 -0.057 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCc1ccco1 ZINC001146718903 831292788 /nfs/dbraw/zinc/29/27/88/831292788.db2.gz KQKWANKPQCGIOJ-UHFFFAOYSA-N 1 3 310.398 -0.057 20 0 DBADHO C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001147824562 831409995 /nfs/dbraw/zinc/40/99/95/831409995.db2.gz LPLHMLANGLUMFN-MNOVXSKESA-N 1 3 313.402 -0.993 20 0 DBADHO CC(C)N(C)C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842047 831411276 /nfs/dbraw/zinc/41/12/76/831411276.db2.gz KFWRBUZREMMQBG-UHFFFAOYSA-N 1 3 302.419 -0.863 20 0 DBADHO C[C@@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001147891532 831415407 /nfs/dbraw/zinc/41/54/07/831415407.db2.gz BNOWOSPRJFXPIC-GFCCVEGCSA-N 1 3 316.446 -0.426 20 0 DBADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147892543 831415463 /nfs/dbraw/zinc/41/54/63/831415463.db2.gz JQTDONPCKCOKNZ-CYBMUJFWSA-N 1 3 316.446 -0.569 20 0 DBADHO CC[C@@H](C)NC(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147891577 831415870 /nfs/dbraw/zinc/41/58/70/831415870.db2.gz DMIIMVWCCDZYSI-CHWSQXEVSA-N 1 3 316.446 -0.426 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)COCC[NH+](C)C)C1CC1 ZINC001147894035 831416812 /nfs/dbraw/zinc/41/68/12/831416812.db2.gz YROIPEYDWQANCV-LBPRGKRZSA-N 1 3 314.430 -0.815 20 0 DBADHO O=C(NCCN[C@@H]1CCN(C2CCC2)C1=O)C12CC[NH+](CC1)C2 ZINC001147976807 831420634 /nfs/dbraw/zinc/42/06/34/831420634.db2.gz APJRXVJMGLDROJ-CQSZACIVSA-N 1 3 320.437 -0.059 20 0 DBADHO CC(C)N1CC[C@@H](NCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147994903 831421238 /nfs/dbraw/zinc/42/12/38/831421238.db2.gz UXAWPJPXHJUABE-CYBMUJFWSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001147994342 831421555 /nfs/dbraw/zinc/42/15/55/831421555.db2.gz FAULFTCTSRMWDV-LBPRGKRZSA-N 1 3 308.426 -0.297 20 0 DBADHO C[NH+](C)CCC(=O)N1CC2(C1)CCN(CCn1cncn1)C2 ZINC001148217627 831438473 /nfs/dbraw/zinc/43/84/73/831438473.db2.gz YLRMDFPMLSSBFL-UHFFFAOYSA-N 1 3 306.414 -0.236 20 0 DBADHO O=C(N1CC2(C1)CCN(CCOCCO)C2)C12CC[NH+](CC1)C2 ZINC001148611518 831465177 /nfs/dbraw/zinc/46/51/77/831465177.db2.gz BWAPHCASKDXKMJ-UHFFFAOYSA-N 1 3 323.437 -0.375 20 0 DBADHO C[C@@H](O)CN1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193423 831597241 /nfs/dbraw/zinc/59/72/41/831597241.db2.gz MPTMIFCKLWMGCS-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193424 831597384 /nfs/dbraw/zinc/59/73/84/831597384.db2.gz MPTMIFCKLWMGCS-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO COC[C@H](O)CN1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241190 831601107 /nfs/dbraw/zinc/60/11/07/831601107.db2.gz MPSLRMJSQALVFU-ZIAGYGMSSA-N 1 3 317.430 -0.848 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001150588707 831631489 /nfs/dbraw/zinc/63/14/89/831631489.db2.gz RFPVCEHKCUNHDG-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001150588707 831631493 /nfs/dbraw/zinc/63/14/93/831631493.db2.gz RFPVCEHKCUNHDG-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001150588708 831631986 /nfs/dbraw/zinc/63/19/86/831631986.db2.gz RFPVCEHKCUNHDG-LSDHHAIUSA-N 1 3 313.442 -0.082 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H]2CN(CCCO)CCCO2)C1 ZINC001150588708 831631988 /nfs/dbraw/zinc/63/19/88/831631988.db2.gz RFPVCEHKCUNHDG-LSDHHAIUSA-N 1 3 313.442 -0.082 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCCO1 ZINC001150626802 831635395 /nfs/dbraw/zinc/63/53/95/831635395.db2.gz ZBPHFIHUOCWELP-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001150626802 831635398 /nfs/dbraw/zinc/63/53/98/831635398.db2.gz ZBPHFIHUOCWELP-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151073885 831661716 /nfs/dbraw/zinc/66/17/16/831661716.db2.gz ROIYPXRPNMGLSC-STQMWFEESA-N 1 3 314.430 -0.815 20 0 DBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151073885 831661718 /nfs/dbraw/zinc/66/17/18/831661718.db2.gz ROIYPXRPNMGLSC-STQMWFEESA-N 1 3 314.430 -0.815 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NCC(F)(F)F ZINC001151074092 831663157 /nfs/dbraw/zinc/66/31/57/831663157.db2.gz VCJLVJWUUCPPJQ-UWVGGRQHSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NCC(F)(F)F ZINC001151074092 831663160 /nfs/dbraw/zinc/66/31/60/831663160.db2.gz VCJLVJWUUCPPJQ-UWVGGRQHSA-N 1 3 324.347 -0.289 20 0 DBADHO COCCC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCN(CCO)CC1 ZINC001151408354 831685640 /nfs/dbraw/zinc/68/56/40/831685640.db2.gz GAXUHWZIVUBCOB-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO COCCC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCN(CCO)CC1 ZINC001151408354 831685644 /nfs/dbraw/zinc/68/56/44/831685644.db2.gz GAXUHWZIVUBCOB-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO COCCC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCN(CCO)CC1 ZINC001151408353 831686056 /nfs/dbraw/zinc/68/60/56/831686056.db2.gz GAXUHWZIVUBCOB-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO COCCC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCN(CCO)CC1 ZINC001151408353 831686059 /nfs/dbraw/zinc/68/60/59/831686059.db2.gz GAXUHWZIVUBCOB-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152145380 831727667 /nfs/dbraw/zinc/72/76/67/831727667.db2.gz BWVMVSGQYKJEMN-GHMZBOCLSA-N 1 3 313.402 -0.979 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152145381 831728357 /nfs/dbraw/zinc/72/83/57/831728357.db2.gz BWVMVSGQYKJEMN-PHIMTYICSA-N 1 3 313.402 -0.979 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001152145381 831728366 /nfs/dbraw/zinc/72/83/66/831728366.db2.gz BWVMVSGQYKJEMN-PHIMTYICSA-N 1 3 313.402 -0.979 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001152426396 831749156 /nfs/dbraw/zinc/74/91/56/831749156.db2.gz HGMPVMPEOYOJSI-GFCCVEGCSA-N 1 3 305.444 -0.533 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001152458426 831753380 /nfs/dbraw/zinc/75/33/80/831753380.db2.gz PTVJBWNBEAXCFU-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CC[N@H+](CCO)[C@H](C)CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001154385733 831876332 /nfs/dbraw/zinc/87/63/32/831876332.db2.gz URDXEQILJGENKA-ILTLLKDXSA-N 1 3 311.426 -0.332 20 0 DBADHO CC[N@@H+](CCO)[C@H](C)CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001154385733 831876334 /nfs/dbraw/zinc/87/63/34/831876334.db2.gz URDXEQILJGENKA-ILTLLKDXSA-N 1 3 311.426 -0.332 20 0 DBADHO COc1cc(NC(=N)NCCCC[NH3+])nc(S(C)(=O)=O)n1 ZINC001157096853 832020541 /nfs/dbraw/zinc/02/05/41/832020541.db2.gz NBGLBVHSDLMAAU-UHFFFAOYSA-N 1 3 316.387 -0.436 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CCNC[C@@H]1F ZINC001157324092 832034478 /nfs/dbraw/zinc/03/44/78/832034478.db2.gz QUMXQVGFASAFQU-SRVKXCTJSA-N 1 3 302.394 -0.316 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C1CCOCC1 ZINC001157336994 832034746 /nfs/dbraw/zinc/03/47/46/832034746.db2.gz SCSPMVLQBWOGMH-RYUDHWBXSA-N 1 3 300.403 -0.900 20 0 DBADHO CCOC(=O)CC1([NH3+])CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC1 ZINC001157448687 832043235 /nfs/dbraw/zinc/04/32/35/832043235.db2.gz FZCGVMIVQXMIGB-LBPRGKRZSA-N 1 3 323.397 -0.447 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCn2nc(C(F)(F)F)nc2C1 ZINC001157519596 832050050 /nfs/dbraw/zinc/05/00/50/832050050.db2.gz ZOZKKCIAELHRAH-SSDOTTSWSA-N 1 3 306.292 -0.295 20 0 DBADHO CC(=O)N[C@@H](CCCC[NH3+])C(=O)N(C)C[C@H]1CNCCO1 ZINC001157720136 832057849 /nfs/dbraw/zinc/05/78/49/832057849.db2.gz ATDZWQBLVJKSFU-OLZOCXBDSA-N 1 3 300.403 -0.933 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001157720185 832058041 /nfs/dbraw/zinc/05/80/41/832058041.db2.gz BVJOUBNRBZFQIY-STQMWFEESA-N 1 3 320.393 -0.117 20 0 DBADHO CN(C[C@H]1CNCCO1)C(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001157720169 832058519 /nfs/dbraw/zinc/05/85/19/832058519.db2.gz BLEFIAOYJRAOQK-PMPSAXMXSA-N 1 3 321.421 -0.246 20 0 DBADHO O=C(N1CC(F)(F)CC[C@@H]1CO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157731349 832059813 /nfs/dbraw/zinc/05/98/13/832059813.db2.gz XIHCOTJEOHTMMA-NQBHXWOUSA-N 1 3 303.353 -0.196 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157902941 832071774 /nfs/dbraw/zinc/07/17/74/832071774.db2.gz DFZKEAHJAPSJBL-RDBSUJKOSA-N 1 3 301.431 -0.316 20 0 DBADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157998437 832081951 /nfs/dbraw/zinc/08/19/51/832081951.db2.gz FNAHUULFZNREFM-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO O=C([C@H]1CNCc2ccnn2C1)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158071068 832087261 /nfs/dbraw/zinc/08/72/61/832087261.db2.gz SZCAVAXQYMLELW-ZDUSSCGKSA-N 1 3 319.409 -0.417 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158076909 832087623 /nfs/dbraw/zinc/08/76/23/832087623.db2.gz PVHPAJWAUFBVEX-STQMWFEESA-N 1 3 324.425 -0.694 20 0 DBADHO O=C(c1cc2c(s1)CNCC2)N1CC(=O)NC[C@]12CC[NH2+]C2 ZINC001158111260 832091275 /nfs/dbraw/zinc/09/12/75/832091275.db2.gz MMBLGMNKMNECFL-OAHLLOKOSA-N 1 3 320.418 -0.302 20 0 DBADHO Cn1nncc1CNCCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001158197010 832098752 /nfs/dbraw/zinc/09/87/52/832098752.db2.gz QLZLMVIGCAQTTH-AWEZNQCLSA-N 1 3 306.414 -0.247 20 0 DBADHO O=C([C@@H]1CNC[C@@H](F)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260777 832101299 /nfs/dbraw/zinc/10/12/99/832101299.db2.gz GVWMTUBVEWWNGA-RYUDHWBXSA-N 1 3 322.388 -0.353 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@@H]3[NH2+]C[C@@H]32)COC1(C)C ZINC001158422323 832111312 /nfs/dbraw/zinc/11/13/12/832111312.db2.gz KDUIAGXGIVTVEN-BJDJZHNGSA-N 1 3 310.398 -0.740 20 0 DBADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158486993 832116947 /nfs/dbraw/zinc/11/69/47/832116947.db2.gz UPDFRNSKNPLKMK-HUUCEWRRSA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccc(CNCCCNC(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158486993 832116953 /nfs/dbraw/zinc/11/69/53/832116953.db2.gz UPDFRNSKNPLKMK-HUUCEWRRSA-N 1 3 321.425 -0.121 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)C(N)C(F)(F)F ZINC001158498631 832119043 /nfs/dbraw/zinc/11/90/43/832119043.db2.gz RPKTWCWPPXZSJC-MAUMQABQSA-N 1 3 309.288 -0.372 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158568685 832122713 /nfs/dbraw/zinc/12/27/13/832122713.db2.gz QSOPCGYFFKYRJI-HBNTYKKESA-N 1 3 315.393 -0.702 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(c1ncc3c(n1)CCNC3)CC2 ZINC001158636994 832127088 /nfs/dbraw/zinc/12/70/88/832127088.db2.gz NTVCHVZSLIZWIM-XJKSGUPXSA-N 1 3 317.393 -0.146 20 0 DBADHO CCn1nnc2c1[C@H](COC)CN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001158791049 832136642 /nfs/dbraw/zinc/13/66/42/832136642.db2.gz SHXRFGSAAIHINV-WDEREUQCSA-N 1 3 310.402 -0.564 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@H]1C[C@@H](O)C[NH2+]1)C2 ZINC001158855117 832141071 /nfs/dbraw/zinc/14/10/71/832141071.db2.gz CXCNRMBWNPFLJG-DGCLKSJQSA-N 1 3 321.425 -0.143 20 0 DBADHO NC[C@H](N)C(=O)N(c1ncccc1F)[C@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904926 832142730 /nfs/dbraw/zinc/14/27/30/832142730.db2.gz UZNRNCFZTYXUIP-IFUGULHKSA-N 1 3 323.372 -0.639 20 0 DBADHO COC[C@@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)Cc2cn(C)nc21 ZINC001159018959 832152302 /nfs/dbraw/zinc/15/23/02/832152302.db2.gz NZLHJPRKDLICTO-KBPBESRZSA-N 1 3 321.425 -0.181 20 0 DBADHO COC[C@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)Cc2cn(C)nc21 ZINC001159018997 832152465 /nfs/dbraw/zinc/15/24/65/832152465.db2.gz OMSNVQAOFDBSRM-CHWSQXEVSA-N 1 3 319.409 -0.699 20 0 DBADHO CCO[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@@H]2CCCO[C@H]12 ZINC001159084366 832155928 /nfs/dbraw/zinc/15/59/28/832155928.db2.gz IOIARQJEHADFAD-WVCIDPQESA-N 1 3 323.437 -0.020 20 0 DBADHO CCO[C@@H]1CN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]2CCCO[C@H]12 ZINC001159084397 832156408 /nfs/dbraw/zinc/15/64/08/832156408.db2.gz JVNJOWBVCUQVOM-LOWDOPEQSA-N 1 3 317.455 -0.200 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185668865 833805593 /nfs/dbraw/zinc/80/55/93/833805593.db2.gz KIWGCEUNLPDUOB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001185668865 833805600 /nfs/dbraw/zinc/80/56/00/833805600.db2.gz KIWGCEUNLPDUOB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(CCOCCO)C1 ZINC001269268509 832404902 /nfs/dbraw/zinc/40/49/02/832404902.db2.gz MPVDKOKIWWYJLA-OAHLLOKOSA-N 1 3 313.442 -0.130 20 0 DBADHO CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CCN(CCOCCO)C1 ZINC001269355257 832421881 /nfs/dbraw/zinc/42/18/81/832421881.db2.gz FCMZUZIIIIZHDI-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCN(CCOCCO)C1 ZINC001269355257 832421884 /nfs/dbraw/zinc/42/18/84/832421884.db2.gz FCMZUZIIIIZHDI-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001270669862 832564007 /nfs/dbraw/zinc/56/40/07/832564007.db2.gz HWMFNMDRFWOJEX-IHRRRGAJSA-N 1 3 320.437 -0.251 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001270669862 832564010 /nfs/dbraw/zinc/56/40/10/832564010.db2.gz HWMFNMDRFWOJEX-IHRRRGAJSA-N 1 3 320.437 -0.251 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001187232232 833910611 /nfs/dbraw/zinc/91/06/11/833910611.db2.gz XOKWABZERSPFGC-CHWSQXEVSA-N 1 3 324.425 -0.286 20 0 DBADHO CN1CCC(O)(C(=O)N2[C@@H]3C[C@H]2CN(CC[NH+](C)C)C3)CC1 ZINC001271803492 832702781 /nfs/dbraw/zinc/70/27/81/832702781.db2.gz FVEDNZIHUGBQCX-OKILXGFUSA-N 1 3 310.442 -0.710 20 0 DBADHO CN1CCC(O)(C(=O)N2CC3(CCN3CC[NH+](C)C)C2)CC1 ZINC001271804766 832703120 /nfs/dbraw/zinc/70/31/20/832703120.db2.gz QMOJWMLHPPSNEN-UHFFFAOYSA-N 1 3 310.442 -0.709 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001272524364 832794084 /nfs/dbraw/zinc/79/40/84/832794084.db2.gz IKYFHIUOGSNLKS-CZUORRHYSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCN1CC[C@@]2(CC[N@@H+](C[C@H]3CCC(=O)N3)C2)C1=O ZINC001272524364 832794088 /nfs/dbraw/zinc/79/40/88/832794088.db2.gz IKYFHIUOGSNLKS-CZUORRHYSA-N 1 3 308.426 -0.249 20 0 DBADHO COC[C@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001272641779 832814735 /nfs/dbraw/zinc/81/47/35/832814735.db2.gz OJWYZMRAGPALGS-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO COC[C@]12CCCO[C@@H]1CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)C2 ZINC001159624852 832829137 /nfs/dbraw/zinc/82/91/37/832829137.db2.gz OFSCKHKPCZSMPQ-IIAWOOMASA-N 1 3 323.437 -0.161 20 0 DBADHO CN(C)C1(C(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC001159854864 832851716 /nfs/dbraw/zinc/85/17/16/832851716.db2.gz UYVWBAUKYDGKBI-LLVKDONJSA-N 1 3 310.398 -0.628 20 0 DBADHO CC(=O)N1CCCC[C@]12CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160424696 832902203 /nfs/dbraw/zinc/90/22/03/832902203.db2.gz ZAAKMVBHYYWKAZ-WMLDXEAASA-N 1 3 320.437 -0.201 20 0 DBADHO CC(=O)N1CCCC[C@@]12CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001160424697 832902277 /nfs/dbraw/zinc/90/22/77/832902277.db2.gz ZAAKMVBHYYWKAZ-YOEHRIQHSA-N 1 3 320.437 -0.201 20 0 DBADHO CC(C)NC(=O)CN1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001160484979 832909353 /nfs/dbraw/zinc/90/93/53/832909353.db2.gz LYRHLLANRDBYQZ-ZDUSSCGKSA-N 1 3 313.446 -0.889 20 0 DBADHO N[C@H](C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2)C1CC[NH2+]CC1 ZINC001160715587 832937741 /nfs/dbraw/zinc/93/77/41/832937741.db2.gz GNDNJTCPRPEHKF-AWEZNQCLSA-N 1 3 322.409 -0.641 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001160741235 832938634 /nfs/dbraw/zinc/93/86/34/832938634.db2.gz GYMXUZKQKFCOGP-CYBMUJFWSA-N 1 3 312.414 -0.661 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160765653 832941508 /nfs/dbraw/zinc/94/15/08/832941508.db2.gz DNEHJGWXOKJJFD-QCLAVDOMSA-N 1 3 305.300 -0.274 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001160768942 832941729 /nfs/dbraw/zinc/94/17/29/832941729.db2.gz GRRLBGMHAIFYOB-GWCFXTLKSA-N 1 3 301.337 -0.178 20 0 DBADHO CCOC(=O)[C@H]1c2nc[nH]c2CCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001160788783 832944036 /nfs/dbraw/zinc/94/40/36/832944036.db2.gz UDYGWYVMJYNPOC-GXFFZTMASA-N 1 3 323.397 -0.145 20 0 DBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001273710261 832955912 /nfs/dbraw/zinc/95/59/12/832955912.db2.gz ODFQUQXTURMDRX-VXGBXAGGSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]CCNS(=O)(=O)CC)N(C)C ZINC001160890190 832957206 /nfs/dbraw/zinc/95/72/06/832957206.db2.gz YDXNIXNZZWYIAM-GFCCVEGCSA-N 1 3 322.475 -0.638 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)Nc1cnccn1)N(C)C ZINC001160883297 832957377 /nfs/dbraw/zinc/95/73/77/832957377.db2.gz KUPSSXHJAJKILF-GFCCVEGCSA-N 1 3 322.413 -0.149 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160972164 832963486 /nfs/dbraw/zinc/96/34/86/832963486.db2.gz PVPMFLMYXIQVJO-ZJUUUORDSA-N 1 3 306.357 -0.329 20 0 DBADHO O=C([C@@H]1CC[C@@]2(C1)CNCCO2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000106 832963972 /nfs/dbraw/zinc/96/39/72/832963972.db2.gz PUJITELBNQMOBZ-IIAWOOMASA-N 1 3 323.437 -0.140 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000092 832964357 /nfs/dbraw/zinc/96/43/57/832964357.db2.gz PDGFLTAYCNTFEW-STQMWFEESA-N 1 3 307.398 -0.995 20 0 DBADHO COc1cc(N2CCN(C(=O)[C@H](N)CCC[NH3+])CC2)ncn1 ZINC001161093066 832976842 /nfs/dbraw/zinc/97/68/42/832976842.db2.gz HDMXZNAUNVQMMF-LLVKDONJSA-N 1 3 308.386 -0.800 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)NC)[C@@H]1C ZINC001178813253 833525324 /nfs/dbraw/zinc/52/53/24/833525324.db2.gz DICJXBZZAOPGOU-AVGNSLFASA-N 1 3 316.421 -0.009 20 0 DBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001179472450 833548219 /nfs/dbraw/zinc/54/82/19/833548219.db2.gz NEXAWVGTZCXYKL-RYUDHWBXSA-N 1 3 305.444 -0.438 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCOCCO)[C@@H]2C)C1 ZINC001179539232 833549707 /nfs/dbraw/zinc/54/97/07/833549707.db2.gz RTUROEKNRGGITB-ILXRZTDVSA-N 1 3 313.442 -0.084 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001179763374 833557783 /nfs/dbraw/zinc/55/77/83/833557783.db2.gz JYVPCCYGMZXYEQ-RWMBFGLXSA-N 1 3 324.425 -0.288 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1C ZINC001179763028 833557907 /nfs/dbraw/zinc/55/79/07/833557907.db2.gz FYLFLSRWZXNRND-MJBXVCDLSA-N 1 3 301.431 -0.086 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001179929734 833563918 /nfs/dbraw/zinc/56/39/18/833563918.db2.gz UJMHIDKOQQSJHW-STQMWFEESA-N 1 3 308.426 -0.251 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001180125021 833570415 /nfs/dbraw/zinc/57/04/15/833570415.db2.gz YXKGSLJXYQPTTG-MJBXVCDLSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180125021 833570420 /nfs/dbraw/zinc/57/04/20/833570420.db2.gz YXKGSLJXYQPTTG-MJBXVCDLSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CCC(O)(C(=O)N2CC[C@H]3[C@H]2CCN3CC[NH+](C)C)CC1 ZINC001182030468 833652246 /nfs/dbraw/zinc/65/22/46/833652246.db2.gz CRQJDRWUPPBEHF-LSDHHAIUSA-N 1 3 324.469 -0.320 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC[N@@H+]1C ZINC001182676883 833686671 /nfs/dbraw/zinc/68/66/71/833686671.db2.gz QYEZJYQIYLWHDK-MRVWCRGKSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC[N@H+]1C ZINC001182676883 833686673 /nfs/dbraw/zinc/68/66/73/833686673.db2.gz QYEZJYQIYLWHDK-MRVWCRGKSA-N 1 3 308.426 -0.204 20 0 DBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183229852 833710849 /nfs/dbraw/zinc/71/08/49/833710849.db2.gz QMRXLDINOPOUQD-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183229852 833710852 /nfs/dbraw/zinc/71/08/52/833710852.db2.gz QMRXLDINOPOUQD-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001183759194 833735381 /nfs/dbraw/zinc/73/53/81/833735381.db2.gz GWVNGJHILBUKJI-OLZOCXBDSA-N 1 3 301.431 -0.086 20 0 DBADHO COCC[NH2+][C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001184425720 833759508 /nfs/dbraw/zinc/75/95/08/833759508.db2.gz XBFKTYGDKQUXML-MYMJJRTCSA-N 1 3 309.410 -0.314 20 0 DBADHO CN1CC[N@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001185251728 833787259 /nfs/dbraw/zinc/78/72/59/833787259.db2.gz OJUWBALKXXTSJF-OWCLPIDISA-N 1 3 322.453 -0.446 20 0 DBADHO CN1CC[N@@H+](C)C[C@@H]1C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001185251728 833787262 /nfs/dbraw/zinc/78/72/62/833787262.db2.gz OJUWBALKXXTSJF-OWCLPIDISA-N 1 3 322.453 -0.446 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C(C)C)N(C)C)C1 ZINC001185445940 833795102 /nfs/dbraw/zinc/79/51/02/833795102.db2.gz GNJORQMVOYUWIC-MGPQQGTHSA-N 1 3 301.431 -0.230 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC001186824987 833880400 /nfs/dbraw/zinc/88/04/00/833880400.db2.gz TUDQWWJKLPZQIE-GFCCVEGCSA-N 1 3 305.444 -0.437 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCS(C)(=O)=O)C1 ZINC001186824987 833880408 /nfs/dbraw/zinc/88/04/08/833880408.db2.gz TUDQWWJKLPZQIE-GFCCVEGCSA-N 1 3 305.444 -0.437 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](N[C@@H]2CCCNC2=O)C1 ZINC001187115550 833902217 /nfs/dbraw/zinc/90/22/17/833902217.db2.gz LVBSJDXQJGAMIP-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001187106534 833902226 /nfs/dbraw/zinc/90/22/26/833902226.db2.gz JUMPZSZPDDZPFZ-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001187106534 833902229 /nfs/dbraw/zinc/90/22/29/833902229.db2.gz JUMPZSZPDDZPFZ-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106562 833902946 /nfs/dbraw/zinc/90/29/46/833902946.db2.gz JYELNZCFUUKVLR-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001187106562 833902947 /nfs/dbraw/zinc/90/29/47/833902947.db2.gz JYELNZCFUUKVLR-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCNC(=O)CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115217 833903030 /nfs/dbraw/zinc/90/30/30/833903030.db2.gz GSEPDDWLFHAGSG-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121115 833903559 /nfs/dbraw/zinc/90/35/59/833903559.db2.gz CYQOGNXMEJHDHZ-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001187299186 833916398 /nfs/dbraw/zinc/91/63/98/833916398.db2.gz VLVBHTRDUINCOE-CHWSQXEVSA-N 1 3 324.425 -0.286 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001187299186 833916405 /nfs/dbraw/zinc/91/64/05/833916405.db2.gz VLVBHTRDUINCOE-CHWSQXEVSA-N 1 3 324.425 -0.286 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001187322640 833917287 /nfs/dbraw/zinc/91/72/87/833917287.db2.gz PSWFXRWGKHHZTD-NEPJUHHUSA-N 1 3 310.398 -0.676 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001187835142 833953409 /nfs/dbraw/zinc/95/34/09/833953409.db2.gz OCKKMLKAKBVLNC-CABCVRRESA-N 1 3 321.425 -0.470 20 0 DBADHO C[NH+](C)CCC(=O)N1CC[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001189055472 834042556 /nfs/dbraw/zinc/04/25/56/834042556.db2.gz VUABSQILTNFULT-UONOGXRCSA-N 1 3 323.441 -0.504 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001190149023 834142373 /nfs/dbraw/zinc/14/23/73/834142373.db2.gz OLRRPZLHKFHYDC-SOUVJXGZSA-N 1 3 311.426 -0.520 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001190149023 834142377 /nfs/dbraw/zinc/14/23/77/834142377.db2.gz OLRRPZLHKFHYDC-SOUVJXGZSA-N 1 3 311.426 -0.520 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001190149022 834142707 /nfs/dbraw/zinc/14/27/07/834142707.db2.gz OLRRPZLHKFHYDC-RRFJBIMHSA-N 1 3 311.426 -0.520 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001190149022 834142710 /nfs/dbraw/zinc/14/27/10/834142710.db2.gz OLRRPZLHKFHYDC-RRFJBIMHSA-N 1 3 311.426 -0.520 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001190900347 834203729 /nfs/dbraw/zinc/20/37/29/834203729.db2.gz OPWCZHKEQVQBRV-MGPQQGTHSA-N 1 3 301.431 -0.133 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001190900347 834203736 /nfs/dbraw/zinc/20/37/36/834203736.db2.gz OPWCZHKEQVQBRV-MGPQQGTHSA-N 1 3 301.431 -0.133 20 0 DBADHO C[N@H+](CCCO)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431548 834253463 /nfs/dbraw/zinc/25/34/63/834253463.db2.gz RGBLYTZVQAGXKT-KRIMKBQASA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCCO)[C@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431548 834253467 /nfs/dbraw/zinc/25/34/67/834253467.db2.gz RGBLYTZVQAGXKT-KRIMKBQASA-N 1 3 323.437 -0.235 20 0 DBADHO O=S(=O)(NC[C@H]1CCC2(CCNCC2)[NH2+]1)C1CCOCC1 ZINC001238243206 834349863 /nfs/dbraw/zinc/34/98/63/834349863.db2.gz SLOVBKLDSNICTJ-GFCCVEGCSA-N 1 3 317.455 -0.041 20 0 DBADHO O=S(=O)(NC[C@H]1CCC2(CC[NH2+]CC2)N1)C1CCOCC1 ZINC001238243206 834349873 /nfs/dbraw/zinc/34/98/73/834349873.db2.gz SLOVBKLDSNICTJ-GFCCVEGCSA-N 1 3 317.455 -0.041 20 0 DBADHO NCCC[NH2+]CCCNS(=O)(=O)c1cccc2nonc21 ZINC001238879741 834369341 /nfs/dbraw/zinc/36/93/41/834369341.db2.gz VUWMKOYUSAVBNF-UHFFFAOYSA-N 1 3 313.383 -0.170 20 0 DBADHO COC(=O)[C@H]1CN(C(=S)NCCN2CCCCC2)C[C@@H]1[NH3+] ZINC001239452947 834400044 /nfs/dbraw/zinc/40/00/44/834400044.db2.gz SRVANCGULQPDMJ-RYUDHWBXSA-N 1 3 314.455 -0.221 20 0 DBADHO CCOC(=O)[C@H]1NC[C@@H]2[C@H]([NH2+]C[C@]3(O)CCCNC3)CC[C@@H]21 ZINC001245978089 834404941 /nfs/dbraw/zinc/40/49/41/834404941.db2.gz IYSLNLBCRQHNQF-HAFSJTIUSA-N 1 3 311.426 -0.380 20 0 DBADHO O=C([C@@H]1C[C@H](N[C@@H]2CCNC[C@H]2F)C[NH2+]1)N1CCSC1 ZINC001246086834 834415877 /nfs/dbraw/zinc/41/58/77/834415877.db2.gz MKMIVOIMXTWSHD-QCNOEVLYSA-N 1 3 302.419 -0.461 20 0 DBADHO CCOC(=O)[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CCN1 ZINC001246079761 834416213 /nfs/dbraw/zinc/41/62/13/834416213.db2.gz FCNRHRLGGIKITG-ZJQBRPOHSA-N 1 3 303.378 -0.678 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@@H](NC2CN(C3CC[NH2+]CC3)C2)CN1 ZINC001246219325 834424520 /nfs/dbraw/zinc/42/45/20/834424520.db2.gz WZTNGJGONNWPTB-DOMZBBRYSA-N 1 3 310.442 -0.304 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CCN(C(C)C)CC2)CN1 ZINC001246237406 834426025 /nfs/dbraw/zinc/42/60/25/834426025.db2.gz NRUHGIAZWMJALW-CABCVRRESA-N 1 3 312.458 -0.104 20 0 DBADHO COCCOc1cc(CN[C@@H]2CCNC3(C[NH2+]C3)C2)ncn1 ZINC001246434596 834435311 /nfs/dbraw/zinc/43/53/11/834435311.db2.gz NPNUXXIZRZMGFK-GFCCVEGCSA-N 1 3 307.398 -0.315 20 0 DBADHO COC(=O)C1C[C@@H]2CC(N(C)C[C@@H]3CNCCO3)C[C@H](C1)[NH2+]2 ZINC001246562116 834440883 /nfs/dbraw/zinc/44/08/83/834440883.db2.gz YFZLQJJWMCMVGN-FTGKKSIPSA-N 1 3 311.426 -0.021 20 0 DBADHO CC[C@]1(C(=O)OC)C[C@@H](N2CCNC3(CC[NH2+]CC3)C2)CN1 ZINC001246594855 834441929 /nfs/dbraw/zinc/44/19/29/834441929.db2.gz LSEXXQZSNIHALH-CZUORRHYSA-N 1 3 310.442 -0.303 20 0 DBADHO COC(=O)C1C[C@@H]2CC(N3CCOC4(CNC4)C3)C[C@H](C1)[NH2+]2 ZINC001246622817 834443076 /nfs/dbraw/zinc/44/30/76/834443076.db2.gz OTJLNPCQZOXRRD-AKJUYKBHSA-N 1 3 309.410 -0.267 20 0 DBADHO CCOC(=O)[C@H]1C[C@@H]2C[N@@H+]([C@@H]3CCOC4(CNC4)C3)C[C@@H]2N1 ZINC001246673067 834447087 /nfs/dbraw/zinc/44/70/87/834447087.db2.gz WBGLVDRXOGCDSU-SYQHCUMBSA-N 1 3 309.410 -0.267 20 0 DBADHO CCOC(=O)[C@H]1C[C@@H]2C[N@H+]([C@@H]3CCOC4(CNC4)C3)C[C@@H]2N1 ZINC001246673067 834447091 /nfs/dbraw/zinc/44/70/91/834447091.db2.gz WBGLVDRXOGCDSU-SYQHCUMBSA-N 1 3 309.410 -0.267 20 0 DBADHO COC(=O)[C@@H]1C[C@H]([N@@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)CCN1 ZINC001246684700 834448227 /nfs/dbraw/zinc/44/82/27/834448227.db2.gz NSHPDJBGGNFGET-SQCNAZHOSA-N 1 3 309.410 -0.267 20 0 DBADHO COC(=O)[C@@H]1C[C@H]([N@H+]2CC[C@@]34CNC[C@@H](C[C@H]3C2)O4)CCN1 ZINC001246684700 834448233 /nfs/dbraw/zinc/44/82/33/834448233.db2.gz NSHPDJBGGNFGET-SQCNAZHOSA-N 1 3 309.410 -0.267 20 0 DBADHO COC(=O)C1C[C@@H]2CC([N@@H+]3C[C@@H]4COC[C@H](C3)N4)C[C@H](C1)N2 ZINC001246678519 834448804 /nfs/dbraw/zinc/44/88/04/834448804.db2.gz WUZLJFAKJLGPLM-BHOIJHMLSA-N 1 3 309.410 -0.269 20 0 DBADHO COC(=O)C1C[C@@H]2CC([N@H+]3C[C@@H]4COC[C@H](C3)N4)C[C@H](C1)N2 ZINC001246678519 834448809 /nfs/dbraw/zinc/44/88/09/834448809.db2.gz WUZLJFAKJLGPLM-BHOIJHMLSA-N 1 3 309.410 -0.269 20 0 DBADHO COC(=O)C1C[C@@H]2CC(N3C[C@@H]4COC[C@H](C3)N4)C[C@H](C1)[NH2+]2 ZINC001246678519 834448816 /nfs/dbraw/zinc/44/88/16/834448816.db2.gz WUZLJFAKJLGPLM-BHOIJHMLSA-N 1 3 309.410 -0.269 20 0 DBADHO CNC(=O)[C@@]12CCO[C@@H]1CCN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246711654 834451434 /nfs/dbraw/zinc/45/14/34/834451434.db2.gz VIAXVFUXECBIMI-XJKCOSOUSA-N 1 3 308.426 -0.693 20 0 DBADHO CC(=O)N1CCC[C@]2(C1)CN([C@H]1CCNC3(C[NH2+]C3)C1)CCO2 ZINC001246760750 834452363 /nfs/dbraw/zinc/45/23/63/834452363.db2.gz QOTVIGUTSGIDCT-RDJZCZTQSA-N 1 3 322.453 -0.206 20 0 DBADHO N[C@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[C@H]1F ZINC001246818883 834455210 /nfs/dbraw/zinc/45/52/10/834455210.db2.gz GAOWOSTVIRRMSK-USZNOCQGSA-N 1 3 302.419 -0.379 20 0 DBADHO COC(=O)[C@@H]1CC[C@H](N2CCC[C@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246869668 834460303 /nfs/dbraw/zinc/46/03/03/834460303.db2.gz HBKHVIUEPNVCHF-KKUMJFAQSA-N 1 3 310.442 -0.365 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12)O3 ZINC001247007914 834467760 /nfs/dbraw/zinc/46/77/60/834467760.db2.gz HHTMMKNZEHZOON-KJKVDNPUSA-N 1 3 313.423 -0.871 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)O3 ZINC001247007064 834467870 /nfs/dbraw/zinc/46/78/70/834467870.db2.gz BEXZBBYHMXQIRW-FDFVQJQPSA-N 1 3 313.423 -0.586 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[C@@]12CC[NH2+]C2)O3 ZINC001247009768 834467967 /nfs/dbraw/zinc/46/79/67/834467967.db2.gz LTWIMWOODWFYKM-DGTMBMJNSA-N 1 3 313.423 -0.727 20 0 DBADHO CC1(C)C[NH2+]CC[C@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247010821 834469539 /nfs/dbraw/zinc/46/95/39/834469539.db2.gz PLXWJENWEBOCKI-NMKXLXIOSA-N 1 3 315.439 -0.481 20 0 DBADHO CC(C)N1CCN(CC[NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC001251036167 834489474 /nfs/dbraw/zinc/48/94/74/834489474.db2.gz AABYORCPOPEIPQ-INIZCTEOSA-N 1 3 314.474 -0.705 20 0 DBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193464061 834499358 /nfs/dbraw/zinc/49/93/58/834499358.db2.gz ZYNOOUXBOSRXGY-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193464061 834499361 /nfs/dbraw/zinc/49/93/61/834499361.db2.gz ZYNOOUXBOSRXGY-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193487985 834502986 /nfs/dbraw/zinc/50/29/86/834502986.db2.gz JTBHITRQGUQDBP-CQSZACIVSA-N 1 3 324.429 -0.611 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001193642101 834519412 /nfs/dbraw/zinc/51/94/12/834519412.db2.gz MGLVEEITDFBKKC-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001193642101 834519421 /nfs/dbraw/zinc/51/94/21/834519421.db2.gz MGLVEEITDFBKKC-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CCN(CC)C[C@@H](O)C[N@@H+]1C[C@H]2CN(CCOC)C(=O)[C@H]2C1 ZINC001253187128 834563746 /nfs/dbraw/zinc/56/37/46/834563746.db2.gz VIZIXSSJBGHGBG-ZNMIVQPWSA-N 1 3 313.442 -0.274 20 0 DBADHO CCN(CC)C[C@@H](O)C[N@H+]1C[C@H]2CN(CCOC)C(=O)[C@H]2C1 ZINC001253187128 834563751 /nfs/dbraw/zinc/56/37/51/834563751.db2.gz VIZIXSSJBGHGBG-ZNMIVQPWSA-N 1 3 313.442 -0.274 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001194265083 834583316 /nfs/dbraw/zinc/58/33/16/834583316.db2.gz MPZGFWMFXHHDEB-MGPQQGTHSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(C[C@H]2CCOC2)C[C@H]1O ZINC001194265083 834583321 /nfs/dbraw/zinc/58/33/21/834583321.db2.gz MPZGFWMFXHHDEB-MGPQQGTHSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@H](CC(=O)N1CCOCC1)N1CCN(CC[NH+](C)C)CC1 ZINC001256334914 834626385 /nfs/dbraw/zinc/62/63/85/834626385.db2.gz LFMWARHIVAFORX-OAHLLOKOSA-N 1 3 312.458 -0.197 20 0 DBADHO C[N@H+](CCc1ccccc1)CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001196214813 834769231 /nfs/dbraw/zinc/76/92/31/834769231.db2.gz MQUQABFVBJMEOV-HZPDHXFCSA-N 1 3 321.421 -0.686 20 0 DBADHO C[N@@H+](CCc1ccccc1)CC(=O)N[C@@H]1CN(CCO)C[C@H]1O ZINC001196214813 834769238 /nfs/dbraw/zinc/76/92/38/834769238.db2.gz MQUQABFVBJMEOV-HZPDHXFCSA-N 1 3 321.421 -0.686 20 0 DBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@H]23)C1 ZINC001262069943 834902203 /nfs/dbraw/zinc/90/22/03/834902203.db2.gz NIYOOJVIQGCPOV-RFQIPJPRSA-N 1 3 308.426 -0.027 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+](C[C@@H]3CCOC3)CC2)C1=O ZINC001262200561 834917272 /nfs/dbraw/zinc/91/72/72/834917272.db2.gz AFUGETIERYRFKI-JSGCOSHPSA-N 1 3 324.425 -0.031 20 0 DBADHO Cn1ccn2c(CC[NH2+]C[C@H](O)CN3CCCC3)nnc2c1=O ZINC001262492082 834945285 /nfs/dbraw/zinc/94/52/85/834945285.db2.gz YLCKJMRYMIVTQT-LBPRGKRZSA-N 1 3 320.397 -0.983 20 0 DBADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001198661357 834959059 /nfs/dbraw/zinc/95/90/59/834959059.db2.gz FJNVSDCCLSSTKT-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO COCCCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198661357 834959065 /nfs/dbraw/zinc/95/90/65/834959065.db2.gz FJNVSDCCLSSTKT-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001264411491 835028017 /nfs/dbraw/zinc/02/80/17/835028017.db2.gz JRHVIAMNPKKMPZ-FRRDWIJNSA-N 1 3 324.425 -0.384 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001199788252 835056651 /nfs/dbraw/zinc/05/66/51/835056651.db2.gz NCVKIDVUTNSHNU-ZDUSSCGKSA-N 1 3 317.455 -0.294 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001265504650 835148954 /nfs/dbraw/zinc/14/89/54/835148954.db2.gz DCVMDCQZZARYQA-IJLUTSLNSA-N 1 3 310.398 -0.630 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200851848 835155131 /nfs/dbraw/zinc/15/51/31/835155131.db2.gz RWBHPEMTKJXSNH-LBPRGKRZSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001200851848 835155138 /nfs/dbraw/zinc/15/51/38/835155138.db2.gz RWBHPEMTKJXSNH-LBPRGKRZSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[C@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001201240583 835177441 /nfs/dbraw/zinc/17/74/41/835177441.db2.gz WXNQKLFWMPTUOA-LLVKDONJSA-N 1 3 313.402 -0.898 20 0 DBADHO CNC(=O)[C@H](C)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336286 835183615 /nfs/dbraw/zinc/18/36/15/835183615.db2.gz UCWXQTPZLLZDJP-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CCNC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201335717 835183746 /nfs/dbraw/zinc/18/37/46/835183746.db2.gz QCYNWGYMUHFZFR-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO Cc1nc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)CCCO2)n[nH]1 ZINC001201333853 835183972 /nfs/dbraw/zinc/18/39/72/835183972.db2.gz DYGQOTXVPHRJMS-CYBMUJFWSA-N 1 3 324.429 -0.228 20 0 DBADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1)N(C)C ZINC001201412193 835189528 /nfs/dbraw/zinc/18/95/28/835189528.db2.gz WXELJYHDXHUBRK-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001201679080 835202931 /nfs/dbraw/zinc/20/29/31/835202931.db2.gz SGDPIKWRLWGMJA-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001265941919 835204297 /nfs/dbraw/zinc/20/42/97/835204297.db2.gz PSWFXRWGKHHZTD-RYUDHWBXSA-N 1 3 310.398 -0.676 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCS(C)(=O)=O)C1 ZINC001266004810 835215991 /nfs/dbraw/zinc/21/59/91/835215991.db2.gz LMDXDQYBOAAFLY-CHWSQXEVSA-N 1 3 317.455 -0.437 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001202162847 835236478 /nfs/dbraw/zinc/23/64/78/835236478.db2.gz ALOXOJAISSTBSS-OLZOCXBDSA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001202496544 835251898 /nfs/dbraw/zinc/25/18/98/835251898.db2.gz VDKFJJJPWJRFKS-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001203006259 835276527 /nfs/dbraw/zinc/27/65/27/835276527.db2.gz WVOQHWFELOLWBC-UHFFFAOYSA-N 1 3 313.402 -0.896 20 0 DBADHO CN(CC(=O)N[C@@H]1C[C@H]([NH2+]CC(N)=O)C12CCC2)C1CCC1 ZINC001203035761 835279781 /nfs/dbraw/zinc/27/97/81/835279781.db2.gz GYQOQWFLIZNCMV-QWHCGFSZSA-N 1 3 308.426 -0.027 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2C[C@@H]([NH2+]CC(N)=O)C23CCC3)CCC1 ZINC001203028829 835280171 /nfs/dbraw/zinc/28/01/71/835280171.db2.gz PAJDBEZFCJRGCL-VXGBXAGGSA-N 1 3 308.426 -0.027 20 0 DBADHO CNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)N(C)C)CC1 ZINC001205461449 835344385 /nfs/dbraw/zinc/34/43/85/835344385.db2.gz JPEJEIARIBRYIV-OAHLLOKOSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(CCNCC(=O)NC(N)=O)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266730893 835369994 /nfs/dbraw/zinc/36/99/94/835369994.db2.gz JXRKUWRKKCTGKY-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO CN(CCNCC(=O)NC(N)=O)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266730893 835369998 /nfs/dbraw/zinc/36/99/98/835369998.db2.gz JXRKUWRKKCTGKY-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO CN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCCN1C ZINC001266809379 835387810 /nfs/dbraw/zinc/38/78/10/835387810.db2.gz WWUNFKNDTWJIMJ-RYUDHWBXSA-N 1 3 310.398 -0.676 20 0 DBADHO CN(C)C(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206401341 835394551 /nfs/dbraw/zinc/39/45/51/835394551.db2.gz GYAZQQGSHACWQD-UHFFFAOYSA-N 1 3 307.398 -0.131 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001267053242 835436980 /nfs/dbraw/zinc/43/69/80/835436980.db2.gz MPTNAJCSDLJGSR-ZIAGYGMSSA-N 1 3 306.414 -0.190 20 0 DBADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001267989908 835617005 /nfs/dbraw/zinc/61/70/05/835617005.db2.gz OWCMMEOAPSBSJT-WCQYABFASA-N 1 3 324.425 -0.382 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001268091131 835631382 /nfs/dbraw/zinc/63/13/82/835631382.db2.gz AWYBXBIRTPLCKS-NEPJUHHUSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H](C)CN[C@H]1CCC(=O)NC1=O ZINC001268091131 835631385 /nfs/dbraw/zinc/63/13/85/835631385.db2.gz AWYBXBIRTPLCKS-NEPJUHHUSA-N 1 3 312.414 -0.430 20 0 DBADHO C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001268369308 835678434 /nfs/dbraw/zinc/67/84/34/835678434.db2.gz VEAWTFGDPWEDPW-RYUDHWBXSA-N 1 3 324.425 -0.240 20 0 DBADHO CCN(CC[NH2+]C[C@@H](O)Cn1cccn1)C(=O)[C@@H]1CCCN1C ZINC001268438027 835692451 /nfs/dbraw/zinc/69/24/51/835692451.db2.gz BVHUNXNOJWJAFI-CABCVRRESA-N 1 3 323.441 -0.224 20 0 DBADHO CCN(CC[NH2+]C[C@H](O)Cn1cccn1)C(=O)[C@H]1CCCN1C ZINC001268438049 835692641 /nfs/dbraw/zinc/69/26/41/835692641.db2.gz BVHUNXNOJWJAFI-LSDHHAIUSA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001268542948 835724068 /nfs/dbraw/zinc/72/40/68/835724068.db2.gz SSHJKOREEKDJCX-HXWTZNIPSA-N 1 3 308.426 -0.133 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001268542948 835724076 /nfs/dbraw/zinc/72/40/76/835724076.db2.gz SSHJKOREEKDJCX-HXWTZNIPSA-N 1 3 308.426 -0.133 20 0 DBADHO CC(C)[C@@H](C(=O)NC/C=C\CNCC(=O)NC(N)=O)[NH+](C)C ZINC001268616568 835754285 /nfs/dbraw/zinc/75/42/85/835754285.db2.gz NRPVJQCFTPKUOL-FJOGCWAESA-N 1 3 313.402 -0.971 20 0 DBADHO CC(C)[C@H](C(=O)NC/C=C/CNCC(=O)NC(N)=O)[NH+](C)C ZINC001268616567 835755334 /nfs/dbraw/zinc/75/53/34/835755334.db2.gz NRPVJQCFTPKUOL-BTDICHCPSA-N 1 3 313.402 -0.971 20 0 DBADHO C[C@H](CN(C)CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268755946 835799998 /nfs/dbraw/zinc/79/99/98/835799998.db2.gz GHHSVNODEIIQRP-CHWSQXEVSA-N 1 3 324.425 -0.476 20 0 DBADHO C[C@H](CN(C)CCN1C(=O)CCC1=O)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268755946 835800009 /nfs/dbraw/zinc/80/00/09/835800009.db2.gz GHHSVNODEIIQRP-CHWSQXEVSA-N 1 3 324.425 -0.476 20 0 DBADHO CN(CC(=O)N1CC[C@H]2[C@@H]1CCN2CCn1ccnc1)C(N)=[NH2+] ZINC001268996316 835855694 /nfs/dbraw/zinc/85/56/94/835855694.db2.gz LLRKGLLPQXACTM-STQMWFEESA-N 1 3 319.413 -0.616 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)N(C)CCOCCO ZINC001485302080 1013104160 /nfs/dbraw/zinc/10/41/60/1013104160.db2.gz KZJDZLMMWVNXED-ZFWWWQNUSA-N 1 3 313.442 -0.226 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001485613991 1013294296 /nfs/dbraw/zinc/29/42/96/1013294296.db2.gz FBWOAZBYPWUSHP-SYQHCUMBSA-N 1 3 322.453 -0.243 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001485613993 1013294383 /nfs/dbraw/zinc/29/43/83/1013294383.db2.gz FBWOAZBYPWUSHP-XDQVBPFNSA-N 1 3 322.453 -0.243 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485615235 1013296333 /nfs/dbraw/zinc/29/63/33/1013296333.db2.gz YUFBXLCSSOKGPB-XDQVBPFNSA-N 1 3 310.442 -0.243 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCC(=O)NC)C1 ZINC001485647892 1013310475 /nfs/dbraw/zinc/31/04/75/1013310475.db2.gz VLMNYYXRFRHBSY-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCC(=O)NC)C1 ZINC001485647892 1013310481 /nfs/dbraw/zinc/31/04/81/1013310481.db2.gz VLMNYYXRFRHBSY-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H]1[C@H]([NH2+]CC(=O)NC2CC2)CCN1C(=O)CN1CCCC1 ZINC001486097465 1013671184 /nfs/dbraw/zinc/67/11/84/1013671184.db2.gz UDJFEKMBBPACLP-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001486278657 1013776361 /nfs/dbraw/zinc/77/63/61/1013776361.db2.gz OQOCRPOJEAPHLT-VHDGCEQUSA-N 1 3 323.441 -0.331 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2cnn(C)c2)CC[N@H+]1C ZINC001486278657 1013776367 /nfs/dbraw/zinc/77/63/67/1013776367.db2.gz OQOCRPOJEAPHLT-VHDGCEQUSA-N 1 3 323.441 -0.331 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC(NCCS(C)(=O)=O)C1 ZINC001486482389 1013847934 /nfs/dbraw/zinc/84/79/34/1013847934.db2.gz BRGFBQGKAVVSLX-PNESKVBLSA-N 1 3 317.455 -0.438 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NCCS(C)(=O)=O)C1 ZINC001486482389 1013847939 /nfs/dbraw/zinc/84/79/39/1013847939.db2.gz BRGFBQGKAVVSLX-PNESKVBLSA-N 1 3 317.455 -0.438 20 0 DBADHO OCCN(CCN1CCOCC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903735801 977432636 /nfs/dbraw/zinc/43/26/36/977432636.db2.gz DRRVCAIFDHHVLX-HZPDHXFCSA-N 1 3 313.442 -0.619 20 0 DBADHO CN(CCNC(=O)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCN1C ZINC001528349127 1014396968 /nfs/dbraw/zinc/39/69/68/1014396968.db2.gz CBCQVYVOWPQZNP-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+]1CCC(C(=O)N2CCO[C@@H](CN[C@H]3CCNC3=O)C2)CC1 ZINC001051802677 977494700 /nfs/dbraw/zinc/49/47/00/977494700.db2.gz ZMLALMKFAQQMMN-KBPBESRZSA-N 1 3 324.425 -0.966 20 0 DBADHO CNC(=O)CN1CCO[C@H]2CN(CC3CC[NH+](C)CC3)C[C@H]21 ZINC001207396861 978194672 /nfs/dbraw/zinc/19/46/72/978194672.db2.gz WVAMELJEARXKOH-CABCVRRESA-N 1 3 310.442 -0.541 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001207687827 978235153 /nfs/dbraw/zinc/23/51/53/978235153.db2.gz JDSFZKQBUZYILW-KBPBESRZSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001528862735 1014485096 /nfs/dbraw/zinc/48/50/96/1014485096.db2.gz FPHDPGQNAXBCSE-LBPRGKRZSA-N 1 3 307.398 -0.131 20 0 DBADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001528862735 1014485087 /nfs/dbraw/zinc/48/50/87/1014485087.db2.gz FPHDPGQNAXBCSE-LBPRGKRZSA-N 1 3 307.398 -0.131 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 ZINC001209325053 978446391 /nfs/dbraw/zinc/44/63/91/978446391.db2.gz WWBITMLASGARRV-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001209302989 978447073 /nfs/dbraw/zinc/44/70/73/978447073.db2.gz ILBIYIHMDSPMPX-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209447383 978455011 /nfs/dbraw/zinc/45/50/11/978455011.db2.gz ZQZSWXISFKKEMT-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001209668805 978470030 /nfs/dbraw/zinc/47/00/30/978470030.db2.gz IORSFYVASWITQF-IHRRRGAJSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001209668813 978472825 /nfs/dbraw/zinc/47/28/25/978472825.db2.gz IORSFYVASWITQF-RDBSUJKOSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001209668925 978473402 /nfs/dbraw/zinc/47/34/02/978473402.db2.gz KKVODQWAFWAAGW-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001210217356 978502295 /nfs/dbraw/zinc/50/22/95/978502295.db2.gz HQCKJFRIOKCRLQ-STQMWFEESA-N 1 3 324.425 -0.286 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001210277825 978506471 /nfs/dbraw/zinc/50/64/71/978506471.db2.gz WDZVAQSAOLOBHJ-RBSFLKMASA-N 1 3 313.442 -0.226 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001210277825 978506480 /nfs/dbraw/zinc/50/64/80/978506480.db2.gz WDZVAQSAOLOBHJ-RBSFLKMASA-N 1 3 313.442 -0.226 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001210685682 978527058 /nfs/dbraw/zinc/52/70/58/978527058.db2.gz XKYPTJAGEFLHMX-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](N[C@@H]2CCNC2=O)C1 ZINC001210685684 978527980 /nfs/dbraw/zinc/52/79/80/978527980.db2.gz XKYPTJAGEFLHMX-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CCNC(=O)CN[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684224 978528493 /nfs/dbraw/zinc/52/84/93/978528493.db2.gz FYYLRMXPKPJPPV-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001210811120 978534703 /nfs/dbraw/zinc/53/47/03/978534703.db2.gz JLNMEDJXUUHRNQ-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001211063975 978553710 /nfs/dbraw/zinc/55/37/10/978553710.db2.gz FIZAAUKZKMVFDT-STQMWFEESA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001211063975 978553719 /nfs/dbraw/zinc/55/37/19/978553719.db2.gz FIZAAUKZKMVFDT-STQMWFEESA-N 1 3 317.455 -0.437 20 0 DBADHO CN(Cc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1)C(=O)CN ZINC001211361494 978568033 /nfs/dbraw/zinc/56/80/33/978568033.db2.gz HJSXYAYPSHEPSY-UHFFFAOYSA-N 1 3 302.338 -0.306 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1C ZINC001214847529 978754548 /nfs/dbraw/zinc/75/45/48/978754548.db2.gz IIOSYMOXBDJDPY-HZSPNIEDSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001215423194 978769422 /nfs/dbraw/zinc/76/94/22/978769422.db2.gz BBFUIGBEFYSHAO-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCCS(C)(=O)=O ZINC001215456515 978769481 /nfs/dbraw/zinc/76/94/81/978769481.db2.gz ZIEAOSBGNPASSB-VXGBXAGGSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001215458617 978769554 /nfs/dbraw/zinc/76/95/54/978769554.db2.gz BRSGEGUYVZIINC-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001215571468 978772896 /nfs/dbraw/zinc/77/28/96/978772896.db2.gz OQFGYEAHXHGMST-SYQHCUMBSA-N 1 3 301.431 -0.230 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001215998786 978779790 /nfs/dbraw/zinc/77/97/90/978779790.db2.gz BLLGUQASGFBXMO-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N(C)C ZINC001216405198 978785403 /nfs/dbraw/zinc/78/54/03/978785403.db2.gz HSCGCOYLQYGTRW-CHWSQXEVSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001216384104 978785666 /nfs/dbraw/zinc/78/56/66/978785666.db2.gz YBRPRYRZIMSYFD-MGPQQGTHSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)C ZINC001216384104 978785668 /nfs/dbraw/zinc/78/56/68/978785668.db2.gz YBRPRYRZIMSYFD-MGPQQGTHSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216754287 978793345 /nfs/dbraw/zinc/79/33/45/978793345.db2.gz OFTQHQJZPGHRHJ-HZSPNIEDSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754287 978793351 /nfs/dbraw/zinc/79/33/51/978793351.db2.gz OFTQHQJZPGHRHJ-HZSPNIEDSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216753984 978793367 /nfs/dbraw/zinc/79/33/67/978793367.db2.gz CNAIDVPTTHYVEV-YRGRVCCFSA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NC1CC1 ZINC001216753984 978793370 /nfs/dbraw/zinc/79/33/70/978793370.db2.gz CNAIDVPTTHYVEV-YRGRVCCFSA-N 1 3 308.426 -0.347 20 0 DBADHO CNC(=O)[C@@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001217005025 978797506 /nfs/dbraw/zinc/79/75/06/978797506.db2.gz FNFAFPMOWCXKBY-YRGRVCCFSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1CN(CCc2nnc(C34CNCC3C[NH2+]C4)o2)C[C@H](C)O1 ZINC001217708185 978813071 /nfs/dbraw/zinc/81/30/71/978813071.db2.gz WTYOUAXYYAZATO-ZAQWFSBCSA-N 1 3 321.425 -0.218 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CCO[C@]23CC[NH2+]C3)cc1 ZINC001218137758 978820510 /nfs/dbraw/zinc/82/05/10/978820510.db2.gz RIOWWBKJCZNENX-DZKIICNBSA-N 1 3 305.378 -0.059 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+][C@H]1C ZINC001218387812 978824325 /nfs/dbraw/zinc/82/43/25/978824325.db2.gz ZLMJVAQXBJGXGY-YUMQZZPRSA-N 1 3 310.354 -0.500 20 0 DBADHO O=C(Nc1n[nH]cc1Br)[C@@H]1C[NH2+]CC12CNC2 ZINC001218509634 978825094 /nfs/dbraw/zinc/82/50/94/978825094.db2.gz WCRBQHSCQUKVEF-LURJTMIESA-N 1 3 300.160 -0.080 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC001218531872 978829187 /nfs/dbraw/zinc/82/91/87/978829187.db2.gz BNNQPIJTDAPNJP-FXQIFTODSA-N 1 3 311.411 -0.251 20 0 DBADHO Cn1ncc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCC[NH3+])n1 ZINC001218627162 978838151 /nfs/dbraw/zinc/83/81/51/978838151.db2.gz TWYYTEXVPLAMDA-QWRGUYRKSA-N 1 3 323.401 -0.799 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1c[nH]cn1 ZINC001218632493 978838524 /nfs/dbraw/zinc/83/85/24/978838524.db2.gz ULHAQNBLEPRBJG-QWRGUYRKSA-N 1 3 308.386 -0.205 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)Nc1cnn(C2C[NH2+]C2)c1 ZINC001218640626 978839979 /nfs/dbraw/zinc/83/99/79/978839979.db2.gz LPBOFLCANXOHFB-CABZTGNLSA-N 1 3 306.370 -0.696 20 0 DBADHO Cc1nc(Cl)c(N)c(=N)n1C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218641968 978841337 /nfs/dbraw/zinc/84/13/37/978841337.db2.gz LIPMGPQFDSBFLK-AMIZOPFISA-N 1 3 310.789 -0.254 20 0 DBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2nc(Cl)c(Cl)nc2CO)C1 ZINC001218655606 978842471 /nfs/dbraw/zinc/84/24/71/978842471.db2.gz YMEHMFMXUVPZHO-UHNVWZDZSA-N 1 3 306.153 -0.097 20 0 DBADHO CNC(=O)c1cccnc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218765181 978850718 /nfs/dbraw/zinc/85/07/18/978850718.db2.gz UOKUBISSNFCTKB-MEBBXXQBSA-N 1 3 303.366 -0.421 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218750361 978851222 /nfs/dbraw/zinc/85/12/22/978851222.db2.gz FKTMREFIVQBGAE-JTQLQIEISA-N 1 3 301.372 -0.876 20 0 DBADHO O=C(Nc1nc2n[nH]cc2c(Cl)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218799592 978853724 /nfs/dbraw/zinc/85/37/24/978853724.db2.gz WEIUKQMKBDTMJA-ZETCQYMHSA-N 1 3 307.745 -0.246 20 0 DBADHO CCOc1cc(C(N)=O)ccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218816276 978854409 /nfs/dbraw/zinc/85/44/09/978854409.db2.gz QPOWZZGGDGTGDE-NSHDSACASA-N 1 3 318.377 -0.068 20 0 DBADHO O=C(Nc1ccc2c(cnn2CCO)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218878959 978856685 /nfs/dbraw/zinc/85/66/85/978856685.db2.gz KEECOCCMJNEVKE-ZDUSSCGKSA-N 1 3 315.377 -0.224 20 0 DBADHO CS(=O)(=O)N(C(=O)[C@@H]1C[NH2+]CC12CNC2)c1cccc(N)c1 ZINC001218886970 978858396 /nfs/dbraw/zinc/85/83/96/978858396.db2.gz CMBLPTFJGCCFHD-LBPRGKRZSA-N 1 3 324.406 -0.630 20 0 DBADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@@H]1COC2(CNC2)CN1 ZINC001218936667 978861377 /nfs/dbraw/zinc/86/13/77/978861377.db2.gz DAFDBHNKHBEMHC-HNNXBMFYSA-N 1 3 316.405 -0.356 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CCO[C@@H]2CN(CC3CC3)C[C@@H]21 ZINC001218969962 978862499 /nfs/dbraw/zinc/86/24/99/978862499.db2.gz ACHCJMOWADGLHM-LSDHHAIUSA-N 1 3 311.426 -0.114 20 0 DBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001219028020 978865048 /nfs/dbraw/zinc/86/50/48/978865048.db2.gz LSVYAGJKKKSNDK-AWEZNQCLSA-N 1 3 316.361 -0.415 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@@H]1C[NH2+]C[C@H]1O2 ZINC001219538419 978961306 /nfs/dbraw/zinc/96/13/06/978961306.db2.gz YVGSXSFTQHPXNV-QISWUMQESA-N 1 3 318.377 -0.075 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC2(CC[NH2+]CC2)N1)N1CCOCC1 ZINC001219573227 978969311 /nfs/dbraw/zinc/96/93/11/978969311.db2.gz JBDYSYVCTJHBQG-CYBMUJFWSA-N 1 3 324.425 -0.774 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC2(CCNCC2)[NH2+]1)N1CCOCC1 ZINC001219573227 978969317 /nfs/dbraw/zinc/96/93/17/978969317.db2.gz JBDYSYVCTJHBQG-CYBMUJFWSA-N 1 3 324.425 -0.774 20 0 DBADHO Cc1cccn2c(CNC(=O)[C@@H](N)CSCC[NH3+])nnc12 ZINC001219597249 978976435 /nfs/dbraw/zinc/97/64/35/978976435.db2.gz FWADNPVILBCSKD-JTQLQIEISA-N 1 3 308.411 -0.327 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611523 978978574 /nfs/dbraw/zinc/97/85/74/978978574.db2.gz ZFXWSDVQIPMYPV-CABZTGNLSA-N 1 3 324.347 -0.113 20 0 DBADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656171 978989938 /nfs/dbraw/zinc/98/99/38/978989938.db2.gz OHHGAEAZNLHWOL-TUVASFSCSA-N 1 3 313.442 -0.086 20 0 DBADHO COCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656171 978989942 /nfs/dbraw/zinc/98/99/42/978989942.db2.gz OHHGAEAZNLHWOL-TUVASFSCSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219744624 979006896 /nfs/dbraw/zinc/00/68/96/979006896.db2.gz ZUYHKMSZGGECIW-SRVKXCTJSA-N 1 3 312.414 -0.744 20 0 DBADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1noc2c1CNCC2 ZINC001219767640 979010501 /nfs/dbraw/zinc/01/05/01/979010501.db2.gz ATRUTWKXKOYXNH-MNOVXSKESA-N 1 3 305.382 -0.656 20 0 DBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1noc2c1CNCC2 ZINC001219767640 979010507 /nfs/dbraw/zinc/01/05/07/979010507.db2.gz ATRUTWKXKOYXNH-MNOVXSKESA-N 1 3 305.382 -0.656 20 0 DBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1noc2c1CNCC2 ZINC001219767640 979010515 /nfs/dbraw/zinc/01/05/15/979010515.db2.gz ATRUTWKXKOYXNH-MNOVXSKESA-N 1 3 305.382 -0.656 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219771775 979010617 /nfs/dbraw/zinc/01/06/17/979010617.db2.gz RQITWWMLRVYAJJ-JKOKRWQUSA-N 1 3 302.394 -0.316 20 0 DBADHO O=C(C[C@@H]1COCCN1)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219796257 979016900 /nfs/dbraw/zinc/01/69/00/979016900.db2.gz SVFIHOQHTONUGT-CQSZACIVSA-N 1 3 310.442 -0.303 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@H]1C[NH2+]Cc2cccn2C1 ZINC001219791763 979016981 /nfs/dbraw/zinc/01/69/81/979016981.db2.gz UUDZZOXCWFHZME-AVGNSLFASA-N 1 3 321.425 -0.434 20 0 DBADHO N[C@H]1CCCCN(CC(=O)NCC[C@H]2CCOC23C[NH2+]C3)C1=O ZINC001219800419 979019102 /nfs/dbraw/zinc/01/91/02/979019102.db2.gz JPZYPSABQSFHKA-STQMWFEESA-N 1 3 324.425 -0.789 20 0 DBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1 ZINC001219831808 979026049 /nfs/dbraw/zinc/02/60/49/979026049.db2.gz YYXOPNMGHBSBNU-MQYQWHSLSA-N 1 3 312.414 -0.887 20 0 DBADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001219831237 979026191 /nfs/dbraw/zinc/02/61/91/979026191.db2.gz CQWSUIWXLXGSJC-FAHYXWLWSA-N 1 3 309.410 -0.362 20 0 DBADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1CO[C@]2(C1)C[NH2+]CCOC2 ZINC001219837244 979027622 /nfs/dbraw/zinc/02/76/22/979027622.db2.gz IHPNNGQIOSGDPX-GBIKHYSHSA-N 1 3 307.341 -0.520 20 0 DBADHO N[C@@H](CC(F)F)C(=O)NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2 ZINC001219837246 979027870 /nfs/dbraw/zinc/02/78/70/979027870.db2.gz IHPNNGQIOSGDPX-NRUUGDAUSA-N 1 3 307.341 -0.520 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)[C@@H]1CNCc2ccnn2C1 ZINC001219847293 979030864 /nfs/dbraw/zinc/03/08/64/979030864.db2.gz BXJRTKPPHKZBML-VZZFWQQMSA-N 1 3 305.382 -0.762 20 0 DBADHO Cn1cc2c(n1)[C@H](CNC(=O)[C@@H](N)C1CC[NH2+]CC1)OCC2 ZINC001219888953 979039382 /nfs/dbraw/zinc/03/93/82/979039382.db2.gz YHLOUNCGNCHWSQ-STQMWFEESA-N 1 3 307.398 -0.523 20 0 DBADHO Cn1cc2c(n1)[C@H](CNC(=O)[C@H](N)C1CC[NH2+]CC1)OCC2 ZINC001219888952 979040062 /nfs/dbraw/zinc/04/00/62/979040062.db2.gz YHLOUNCGNCHWSQ-QWHCGFSZSA-N 1 3 307.398 -0.523 20 0 DBADHO O=C(NCCC[NH2+]C1CCCCC1)[C@H]1COC2(CNC2)CN1 ZINC001219951969 979051174 /nfs/dbraw/zinc/05/11/74/979051174.db2.gz JLRTXARBCUTBLL-CQSZACIVSA-N 1 3 310.442 -0.255 20 0 DBADHO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCC[NH2+]C(C)C)CN1 ZINC001219968097 979052561 /nfs/dbraw/zinc/05/25/61/979052561.db2.gz VVBZPFNJAVNQDI-AGIUHOORSA-N 1 3 314.430 -0.498 20 0 DBADHO O=C(CNC(=O)[C@@H]1C[NH2+]CC12CNC2)N1CCc2ccccc21 ZINC001219978140 979055986 /nfs/dbraw/zinc/05/59/86/979055986.db2.gz DVJVXXFURFEQLR-ZDUSSCGKSA-N 1 3 314.389 -0.499 20 0 DBADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220062144 979080737 /nfs/dbraw/zinc/08/07/37/979080737.db2.gz NTBFKTHFWBARKO-UONOGXRCSA-N 1 3 310.442 -0.303 20 0 DBADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220062144 979080746 /nfs/dbraw/zinc/08/07/46/979080746.db2.gz NTBFKTHFWBARKO-UONOGXRCSA-N 1 3 310.442 -0.303 20 0 DBADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001220088577 979089591 /nfs/dbraw/zinc/08/95/91/979089591.db2.gz HVRNJFDRRCRYOS-RYUDHWBXSA-N 1 3 315.414 -0.214 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N[C@H]1C[C@H](S(C)(=O)=O)C1 ZINC001220141147 979111113 /nfs/dbraw/zinc/11/11/13/979111113.db2.gz ILPMIBGDTSMDDJ-SRVKXCTJSA-N 1 3 305.444 -0.263 20 0 DBADHO CSCC[C@@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(C)(C)O ZINC001220145824 979113189 /nfs/dbraw/zinc/11/31/89/979113189.db2.gz RLKYDFOUDJGOIP-WDEREUQCSA-N 1 3 301.456 -0.196 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@H]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001220159169 979117893 /nfs/dbraw/zinc/11/78/93/979117893.db2.gz NDJFRLPJKKZQDT-HUBLWGQQSA-N 1 3 311.430 -0.199 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@H]1C[C@H](O)C1 ZINC001220156933 979118194 /nfs/dbraw/zinc/11/81/94/979118194.db2.gz QOKOFGGZDDVUND-CYDGBPFRSA-N 1 3 312.414 -0.927 20 0 DBADHO CCOC(=O)CC[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(=O)OCC ZINC001220230728 979142405 /nfs/dbraw/zinc/14/24/05/979142405.db2.gz NSIKTEGOEUITEQ-QWRGUYRKSA-N 1 3 317.386 -0.556 20 0 DBADHO O=C(NCCn1nnc2ccccc21)[C@H]1C[NH2+]CC12CNC2 ZINC001220272700 979151392 /nfs/dbraw/zinc/15/13/92/979151392.db2.gz JRAQHYKGHQACGR-LLVKDONJSA-N 1 3 300.366 -0.644 20 0 DBADHO O=C(NCc1ncn2c1CNCCC2)C1=NO[C@@]2(CC[NH2+]C2)C1 ZINC001220312119 979160720 /nfs/dbraw/zinc/16/07/20/979160720.db2.gz XGIAEOITTSRGOZ-HNNXBMFYSA-N 1 3 318.381 -0.499 20 0 DBADHO O=C(NCc1ncn2c1CNCCC2)[C@H]1CC[C@H]2[NH2+]CC[C@H]2O1 ZINC001220311613 979161796 /nfs/dbraw/zinc/16/17/96/979161796.db2.gz PGAYFGOQQULOPD-KCPJHIHWSA-N 1 3 319.409 -0.098 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NC[C@@H]1CNC(=O)CO1 ZINC001220315141 979164371 /nfs/dbraw/zinc/16/43/71/979164371.db2.gz AEHQRRXRMSHQJS-RYUDHWBXSA-N 1 3 300.403 -0.887 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220318906 979166216 /nfs/dbraw/zinc/16/62/16/979166216.db2.gz BSBDZJPRWJGLFE-XSRSBERUSA-N 1 3 303.428 -0.890 20 0 DBADHO C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220333685 979171592 /nfs/dbraw/zinc/17/15/92/979171592.db2.gz XTLILZDOHIHJBO-UONOGXRCSA-N 1 3 310.442 -0.447 20 0 DBADHO NCc1ccc2c(n1)N(C(=O)[C@@]13C[NH2+]C[C@H]1CCN3)CCC2 ZINC001220377075 979179933 /nfs/dbraw/zinc/17/99/33/979179933.db2.gz JCZVFCFRIDMNMT-MLGOLLRUSA-N 1 3 301.394 -0.229 20 0 DBADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220479503 979208761 /nfs/dbraw/zinc/20/87/61/979208761.db2.gz NZRQQNXXMCHTJV-WDEREUQCSA-N 1 3 301.387 -0.868 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@H]2CC[C@H]3[NH2+]CC[C@H]3O2)CCNC1 ZINC001220521252 979222519 /nfs/dbraw/zinc/22/25/19/979222519.db2.gz AWBJDPAJUVJEDC-MGPQQGTHSA-N 1 3 323.393 -0.177 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@H]2C[C@H]3C[NH2+]CC[C@@H]3O2)CCNC1 ZINC001220521813 979223681 /nfs/dbraw/zinc/22/36/81/979223681.db2.gz PKZHLPBWOHLTCN-LEWSCRJBSA-N 1 3 323.393 -0.320 20 0 DBADHO CCOC(=O)C1=C(NC(=O)COC2CC[NH2+]CC2)CCNC1 ZINC001220521861 979224558 /nfs/dbraw/zinc/22/45/58/979224558.db2.gz RCUYORWVODBPEL-UHFFFAOYSA-N 1 3 311.382 -0.318 20 0 DBADHO CCOC(=O)C1=C(NC(=O)CN(C)[C@H]2CCC[NH2+]C2)CCNC1 ZINC001220523504 979227379 /nfs/dbraw/zinc/22/73/79/979227379.db2.gz PYRCGTFRXBCKQV-LBPRGKRZSA-N 1 3 324.425 -0.403 20 0 DBADHO CCOC(=O)C1=C(NC(=O)CN(C)[C@@H]2CCC[NH2+]C2)CCNC1 ZINC001220523503 979227799 /nfs/dbraw/zinc/22/77/99/979227799.db2.gz PYRCGTFRXBCKQV-GFCCVEGCSA-N 1 3 324.425 -0.403 20 0 DBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)CC1 ZINC001220643218 979253119 /nfs/dbraw/zinc/25/31/19/979253119.db2.gz VWMLJKFFUOTRKG-CABCVRRESA-N 1 3 311.426 -0.332 20 0 DBADHO CCOC(=O)[C@@H]1CCC[C@@H]1NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220660215 979259837 /nfs/dbraw/zinc/25/98/37/979259837.db2.gz COAFVRUANJCSCX-VWYCJHECSA-N 1 3 303.428 -0.146 20 0 DBADHO O=C(NCc1ccccc1-n1cnnn1)[C@H]1C[NH2+]CC12CNC2 ZINC001220668280 979262908 /nfs/dbraw/zinc/26/29/08/979262908.db2.gz MXIXSJXLHDYWAR-GFCCVEGCSA-N 1 3 313.365 -0.913 20 0 DBADHO COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220769215 979282786 /nfs/dbraw/zinc/28/27/86/979282786.db2.gz KZGPNSOJZDHUJK-NWDGAFQWSA-N 1 3 311.386 -0.923 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788824 979285126 /nfs/dbraw/zinc/28/51/26/979285126.db2.gz GSNUEUYZSNMZFH-SSOXJGGVSA-N 1 3 324.450 -0.056 20 0 DBADHO CN1CCNC[C@@H]1C(=O)NC[C@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220794486 979287646 /nfs/dbraw/zinc/28/76/46/979287646.db2.gz QJOLLQADWSYNGQ-KFWWJZLASA-N 1 3 303.410 -0.248 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799789 979287751 /nfs/dbraw/zinc/28/77/51/979287751.db2.gz HEPBWVPSGWXHNX-DCAQKATOSA-N 1 3 319.331 -0.054 20 0 DBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1C[NH2+]C[C@@H]1O ZINC001220926242 979325323 /nfs/dbraw/zinc/32/53/23/979325323.db2.gz CPLGMQPTBNHKQG-HOTGVXAUSA-N 1 3 318.421 -0.010 20 0 DBADHO O=C(N[C@@H]1CCN(c2ccccn2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220934663 979329815 /nfs/dbraw/zinc/32/98/15/979329815.db2.gz SHLXMJNEDNILBD-CKEIUWERSA-N 1 3 315.421 -0.024 20 0 DBADHO O=C(NCc1cnn(CC(F)(F)F)c1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220973433 979336015 /nfs/dbraw/zinc/33/60/15/979336015.db2.gz WJARGLPGFWBANO-JTQLQIEISA-N 1 3 317.315 -0.129 20 0 DBADHO CC(C)Oc1nccc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001220988161 979341424 /nfs/dbraw/zinc/34/14/24/979341424.db2.gz HUSVUUKWANKGEQ-GFCCVEGCSA-N 1 3 305.382 -0.311 20 0 DBADHO CN(C)CC(=O)N[C@H]1CC[C@H](NC(=O)CNCCC[NH3+])CC1 ZINC001221006530 979344588 /nfs/dbraw/zinc/34/45/88/979344588.db2.gz IKNYBOSQZRYIFC-JOCQHMNTSA-N 1 3 313.446 -0.970 20 0 DBADHO CN[C@@H](CO)C(=O)NC1(c2cccc(OC)c2)CC[NH2+]CC1 ZINC001221096264 979364715 /nfs/dbraw/zinc/36/47/15/979364715.db2.gz QXICMVJSTDTXER-AWEZNQCLSA-N 1 3 307.394 -0.030 20 0 DBADHO O=C(NCc1cn(CC(F)(F)F)cn1)[C@H]1C[NH2+]CC12CNC2 ZINC001221146475 979373702 /nfs/dbraw/zinc/37/37/02/979373702.db2.gz JEMCCSGENDULMH-SNVBAGLBSA-N 1 3 317.315 -0.129 20 0 DBADHO COC(=O)[C@](C)(NC(=O)[C@@H](N)C1CC[NH2+]CC1)C(F)(F)F ZINC001221221561 979386295 /nfs/dbraw/zinc/38/62/95/979386295.db2.gz QOGQABBQDQWRIB-KWQFWETISA-N 1 3 311.304 -0.077 20 0 DBADHO CC(=O)OCN1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001221258906 979392828 /nfs/dbraw/zinc/39/28/28/979392828.db2.gz RFEIGLZBYQLTAI-CZUORRHYSA-N 1 3 324.425 -0.713 20 0 DBADHO O=C(NCc1ccc2c(c1)CC(=O)N2)[C@H]1C[NH2+]CC12CNC2 ZINC001221298162 979396522 /nfs/dbraw/zinc/39/65/22/979396522.db2.gz DZBAAZMMXRSDDV-GFCCVEGCSA-N 1 3 300.362 -0.394 20 0 DBADHO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001221339355 979407303 /nfs/dbraw/zinc/40/73/03/979407303.db2.gz HNIQNIIPOOXQDJ-QWHCGFSZSA-N 1 3 308.382 -0.262 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)/C=C/C(=O)NCC[NH3+])CC2)NC1 ZINC001221391337 979411411 /nfs/dbraw/zinc/41/14/11/979411411.db2.gz LOBGIWPLVZSJQU-ONEGZZNKSA-N 1 3 319.409 -0.814 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2CN1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221397071 979413393 /nfs/dbraw/zinc/41/33/93/979413393.db2.gz DWIVRBAHWYQEKU-VYDXJSESSA-N 1 3 300.406 -0.231 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@@]3(N)CCC[NH2+]C3)CC2)NC1 ZINC001221393035 979415939 /nfs/dbraw/zinc/41/59/39/979415939.db2.gz UDAZBXJPAHXBGB-MRXNPFEDSA-N 1 3 305.426 -0.364 20 0 DBADHO COC[C@H](O)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221949898 979478202 /nfs/dbraw/zinc/47/82/02/979478202.db2.gz MELQQPHWVPJGLB-RBSFLKMASA-N 1 3 323.437 -0.378 20 0 DBADHO CCOC(=O)[C@@H]1CC2(CN1C[C@H]1CNCCO1)CC[NH2+]CC2 ZINC001222215871 979502732 /nfs/dbraw/zinc/50/27/32/979502732.db2.gz MMHQBXQDYOYMFU-KGLIPLIRSA-N 1 3 311.426 -0.018 20 0 DBADHO [NH3+]CCNC(=O)c1cccc(CN2CCOC3(CNC3)C2)c1 ZINC001222446985 979511750 /nfs/dbraw/zinc/51/17/50/979511750.db2.gz HVCJFDVPADFCOP-UHFFFAOYSA-N 1 3 304.394 -0.451 20 0 DBADHO O=C1NCC[C@@]12CN(Cc1ccc3n1CCNC3)CC21C[NH2+]C1 ZINC001222521567 979517600 /nfs/dbraw/zinc/51/76/00/979517600.db2.gz WFKSNZSDMLCDEA-QGZVFWFLSA-N 1 3 315.421 -0.497 20 0 DBADHO c1c(CN2CCNC[C@@]3(CCCC[NH2+]3)C2)nc2n1CCNC2 ZINC001222674753 979524068 /nfs/dbraw/zinc/52/40/68/979524068.db2.gz PQEBMRCEQIMMGL-INIZCTEOSA-N 1 3 304.442 -0.096 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1NCCS(C)(=O)=O ZINC001228366365 979672535 /nfs/dbraw/zinc/67/25/35/979672535.db2.gz QHOHNALRVVBILP-CHWSQXEVSA-N 1 3 319.471 0.000 20 0 DBADHO CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001325158076 979708066 /nfs/dbraw/zinc/70/80/66/979708066.db2.gz AEZKMRLLVMKHGI-OAHLLOKOSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCC[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001325158076 979708074 /nfs/dbraw/zinc/70/80/74/979708074.db2.gz AEZKMRLLVMKHGI-OAHLLOKOSA-N 1 3 301.431 -0.084 20 0 DBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC001331169094 979862655 /nfs/dbraw/zinc/86/26/55/979862655.db2.gz NIYOOJVIQGCPOV-SYQHCUMBSA-N 1 3 308.426 -0.027 20 0 DBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC001331197968 979865861 /nfs/dbraw/zinc/86/58/61/979865861.db2.gz SFKVATYYSPFROE-MJBXVCDLSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC(F)(F)C1 ZINC001344757375 980008473 /nfs/dbraw/zinc/00/84/73/980008473.db2.gz OPFRQDLXNKWYMI-UHFFFAOYSA-N 1 3 320.384 -0.194 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)NC2CCN([C@H]3CCOC3)CC2)CCC1 ZINC001347072911 980195446 /nfs/dbraw/zinc/19/54/46/980195446.db2.gz DAOBNUMIACATSX-ZDUSSCGKSA-N 1 3 324.425 -0.647 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C1 ZINC001347087151 980196972 /nfs/dbraw/zinc/19/69/72/980196972.db2.gz ULZCLHMDTMRUAT-UONOGXRCSA-N 1 3 324.425 -0.824 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001349992811 980530461 /nfs/dbraw/zinc/53/04/61/980530461.db2.gz QLGQXTMMKHCXSR-HAQNSBGRSA-N 1 3 312.414 -0.933 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001350057337 980536860 /nfs/dbraw/zinc/53/68/60/980536860.db2.gz FXZDDEZLKGMKTF-RQJABVFESA-N 1 3 308.426 -0.075 20 0 DBADHO COCCC[NH+]1CCC(NC[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC001356102522 980925337 /nfs/dbraw/zinc/92/53/37/980925337.db2.gz ZBCMGBBBEZSIOC-HZPDHXFCSA-N 1 3 316.442 -0.021 20 0 DBADHO COCCN1CC[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001357396955 981053941 /nfs/dbraw/zinc/05/39/41/981053941.db2.gz MJDYJLHCSMMBGP-OLZOCXBDSA-N 1 3 312.414 -0.979 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CN1C1CC1 ZINC001357428950 981059636 /nfs/dbraw/zinc/05/96/36/981059636.db2.gz UBGNOVRERITGPW-BZPMIXESSA-N 1 3 308.426 -0.075 20 0 DBADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001490356388 1014943200 /nfs/dbraw/zinc/94/32/00/1014943200.db2.gz GZYDKHXFBURWME-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCN(C)C1=O ZINC001490356388 1014943218 /nfs/dbraw/zinc/94/32/18/1014943218.db2.gz GZYDKHXFBURWME-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001365824328 983544240 /nfs/dbraw/zinc/54/42/40/983544240.db2.gz YJZJDRSMRCHFTE-XQLPTFJDSA-N 1 3 313.442 -0.180 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)C[C@@H](C)O)C1 ZINC001365879495 983573944 /nfs/dbraw/zinc/57/39/44/983573944.db2.gz XLZNHVFYHIKJSG-HUUCEWRRSA-N 1 3 315.458 -0.006 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([N@@H+](CCO)C[C@@H](C)O)C1 ZINC001365879495 983573948 /nfs/dbraw/zinc/57/39/48/983573948.db2.gz XLZNHVFYHIKJSG-HUUCEWRRSA-N 1 3 315.458 -0.006 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001365990761 983646367 /nfs/dbraw/zinc/64/63/67/983646367.db2.gz DTNOOLXEBWKKGP-LSDHHAIUSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001365990761 983646374 /nfs/dbraw/zinc/64/63/74/983646374.db2.gz DTNOOLXEBWKKGP-LSDHHAIUSA-N 1 3 323.441 -0.224 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001366091238 983685528 /nfs/dbraw/zinc/68/55/28/983685528.db2.gz CGOXKSLBOGFCIL-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCC(=O)Nc2cnccn2)C1 ZINC001366126934 983711788 /nfs/dbraw/zinc/71/17/88/983711788.db2.gz YIFKXDZYLPRWEM-HAQNSBGRSA-N 1 3 320.397 -0.396 20 0 DBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001366272321 983768536 /nfs/dbraw/zinc/76/85/36/983768536.db2.gz DTCDAQLIEUYZML-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001366290665 983782109 /nfs/dbraw/zinc/78/21/09/983782109.db2.gz VOKJFCVQUKHOKQ-NXEZZACHSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001366290667 983784158 /nfs/dbraw/zinc/78/41/58/983784158.db2.gz VOKJFCVQUKHOKQ-UWVGGRQHSA-N 1 3 313.402 -0.852 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)N(C)C ZINC001366353265 983809897 /nfs/dbraw/zinc/80/98/97/983809897.db2.gz OWCVRWCPWUVTCN-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO O=C(CN[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NCC1CC1 ZINC001366389989 983821357 /nfs/dbraw/zinc/82/13/57/983821357.db2.gz WXIPPAHFELDYLE-AWEZNQCLSA-N 1 3 320.437 -0.201 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001366404134 983825804 /nfs/dbraw/zinc/82/58/04/983825804.db2.gz DOURHXMEMAUXRY-RDBSUJKOSA-N 1 3 301.431 -0.228 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001366463234 983836507 /nfs/dbraw/zinc/83/65/07/983836507.db2.gz KTSQGPZJTVQOJR-JQWIXIFHSA-N 1 3 315.418 -0.748 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001366463257 983836642 /nfs/dbraw/zinc/83/66/42/983836642.db2.gz KTSQGPZJTVQOJR-PWSUYJOCSA-N 1 3 315.418 -0.748 20 0 DBADHO C[C@H](O)CN1CCN(CCCNC(=O)CC[NH+](C)C)CC1 ZINC001490475361 1014987082 /nfs/dbraw/zinc/98/70/82/1014987082.db2.gz TWAXRYAWCCKFLC-AWEZNQCLSA-N 1 3 300.447 -0.557 20 0 DBADHO CC[C@H](C(=O)NC[C@H]1CC[N@H+](C[C@@H](O)COC)C1)N(C)C ZINC001366705855 983933841 /nfs/dbraw/zinc/93/38/41/983933841.db2.gz WKTCWCFTRBEQSL-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@H](C(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1)N(C)C ZINC001366705855 983933849 /nfs/dbraw/zinc/93/38/49/983933849.db2.gz WKTCWCFTRBEQSL-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001366867852 984032228 /nfs/dbraw/zinc/03/22/28/984032228.db2.gz UYJXXIVVHHRXSB-CHWSQXEVSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H](NC[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001367402418 984298761 /nfs/dbraw/zinc/29/87/61/984298761.db2.gz XYBNMWHCHKEOOH-NWDGAFQWSA-N 1 3 314.430 -0.593 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NC)C1 ZINC001367554263 984347328 /nfs/dbraw/zinc/34/73/28/984347328.db2.gz JJJUKOSCARHJHG-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CCN2CC(=O)NC)C1 ZINC001367554263 984347335 /nfs/dbraw/zinc/34/73/35/984347335.db2.gz JJJUKOSCARHJHG-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001367558414 984350523 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Cn1cc(CNC[C@@H](O)CNC(=O)CC[C@@H]2CCC[N@H+]2C)cn1 ZINC001367595873 984407973 /nfs/dbraw/zinc/40/79/73/984407973.db2.gz VUAMAIVDLOQOSH-LSDHHAIUSA-N 1 3 323.441 -0.139 20 0 DBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001367676416 984530351 /nfs/dbraw/zinc/53/03/51/984530351.db2.gz OMVGFCYNKNOJHY-GHMZBOCLSA-N 1 3 310.402 -0.974 20 0 DBADHO NC(=O)CN[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001490679862 1015079605 /nfs/dbraw/zinc/07/96/05/1015079605.db2.gz OZBSODOGGGHEIQ-CYBMUJFWSA-N 1 3 308.426 -0.168 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCN[C@@H](C)C(N)=O)CC[N@@H+]1C ZINC001368390355 985142825 /nfs/dbraw/zinc/14/28/25/985142825.db2.gz FBVWJKALGPUXDA-RWMBFGLXSA-N 1 3 314.430 -0.999 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N(CCO)CCN[C@@H](C)C(N)=O)CC[N@H+]1C ZINC001368390355 985142839 /nfs/dbraw/zinc/14/28/39/985142839.db2.gz FBVWJKALGPUXDA-RWMBFGLXSA-N 1 3 314.430 -0.999 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001490734743 1015099255 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CNC(=O)C[NH2+]CC1(NC(=O)CN(C)C(C)C)CCOCC1 ZINC001368631953 985323924 /nfs/dbraw/zinc/32/39/24/985323924.db2.gz DKTZCEJKKZIOIP-UHFFFAOYSA-N 1 3 314.430 -0.672 20 0 DBADHO COC[C@@H](O)C[NH+]1CC([C@@H](C)NC(=O)CN(C)C(C)C)C1 ZINC001369097053 985720519 /nfs/dbraw/zinc/72/05/19/985720519.db2.gz PCSVQPZEFHASGD-OCCSQVGLSA-N 1 3 301.431 -0.230 20 0 DBADHO Cc1nc(CN[C@H](C)[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001369144284 985764548 /nfs/dbraw/zinc/76/45/48/985764548.db2.gz BPOLLIQJRBZOHH-YPMHNXCESA-N 1 3 324.429 -0.230 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001369162861 985784575 /nfs/dbraw/zinc/78/45/75/985784575.db2.gz SDRMPSVPCGMRTI-RYUDHWBXSA-N 1 3 300.403 -0.983 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)NCc1nc(=O)n(C)[nH]1 ZINC001369291677 985845812 /nfs/dbraw/zinc/84/58/12/985845812.db2.gz PXAQXXRQPLZNNH-NSHDSACASA-N 1 3 312.418 -0.613 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)NCc1nc(=O)n(C)[nH]1 ZINC001369291677 985845814 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DBADHO C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001369467720 986144278 /nfs/dbraw/zinc/14/42/78/986144278.db2.gz DOKVAMNHOUCZAK-OLZOCXBDSA-N 1 3 301.431 -0.350 20 0 DBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001369480575 986188677 /nfs/dbraw/zinc/18/86/77/986188677.db2.gz OIRPREGAGKCPMW-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001369480575 986188704 /nfs/dbraw/zinc/18/87/04/986188704.db2.gz OIRPREGAGKCPMW-UKRRQHHQSA-N 1 3 323.441 -0.329 20 0 DBADHO CC(C)[C@H](C(=O)N(C)C[C@@H](O)CNCC(=O)N(C)C)[NH+](C)C ZINC001369483508 986206222 /nfs/dbraw/zinc/20/62/22/986206222.db2.gz NHUFDARHXUDOBU-GXTWGEPZSA-N 1 3 316.446 -0.930 20 0 DBADHO C[C@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001369757219 986349313 /nfs/dbraw/zinc/34/93/13/986349313.db2.gz WMVDAIRJQHHRTJ-STQMWFEESA-N 1 3 308.426 -0.073 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001370395414 986724252 /nfs/dbraw/zinc/72/42/52/986724252.db2.gz RKQKRKUKHMWIPH-UONOGXRCSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001370407287 986727109 /nfs/dbraw/zinc/72/71/09/986727109.db2.gz TUYIZQOYLZYOTG-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@H](C)C(=O)NC(N)=O)C1 ZINC001370407287 986727121 /nfs/dbraw/zinc/72/71/21/986727121.db2.gz TUYIZQOYLZYOTG-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001370482764 986764163 /nfs/dbraw/zinc/76/41/63/986764163.db2.gz JYHZJHHNUGIBIJ-AVGNSLFASA-N 1 3 319.471 -0.146 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370501184 986776653 /nfs/dbraw/zinc/77/66/53/986776653.db2.gz GOZXVXKURVYJBC-HAQNSBGRSA-N 1 3 306.414 -0.106 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1)C1CCC1 ZINC001370633852 986828015 /nfs/dbraw/zinc/82/80/15/986828015.db2.gz DZRCXINKXBXHRR-BETUJISGSA-N 1 3 306.414 -0.001 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001371035914 987185439 /nfs/dbraw/zinc/18/54/39/987185439.db2.gz WXRIXONUBSHDIK-XPABHHOTSA-N 1 3 322.453 -0.102 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001371035914 987185477 /nfs/dbraw/zinc/18/54/77/987185477.db2.gz WXRIXONUBSHDIK-XPABHHOTSA-N 1 3 322.453 -0.102 20 0 DBADHO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)N[C@@H]1CCNC1=O ZINC001371182548 987260828 /nfs/dbraw/zinc/26/08/28/987260828.db2.gz YQBASLRKWDOCBA-VXGBXAGGSA-N 1 3 322.413 -0.959 20 0 DBADHO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)N[C@H]1CCNC1=O ZINC001371182536 987261718 /nfs/dbraw/zinc/26/17/18/987261718.db2.gz YQBASLRKWDOCBA-NEPJUHHUSA-N 1 3 322.413 -0.959 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001371616966 987443794 /nfs/dbraw/zinc/44/37/94/987443794.db2.gz LKBKBJCPZNUVST-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001372729785 987858403 /nfs/dbraw/zinc/85/84/03/987858403.db2.gz PGJZIOLFAMTVKL-COMQUAJESA-N 1 3 308.426 -0.395 20 0 DBADHO CNC(=O)CN1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001373228954 988161468 /nfs/dbraw/zinc/16/14/68/988161468.db2.gz VKVZHNOTNZCBPP-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO CNC(=O)CN1CC[C@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001373228954 988161474 /nfs/dbraw/zinc/16/14/74/988161474.db2.gz VKVZHNOTNZCBPP-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)[C@H]1CCCN1C ZINC001373466052 988376875 /nfs/dbraw/zinc/37/68/75/988376875.db2.gz XROWXFZCFINRHD-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C[C@H](O)COC)C2)CC[N@@H+]1C ZINC001373626410 988503531 /nfs/dbraw/zinc/50/35/31/988503531.db2.gz DQBWCGZIUHEUIM-CBBWQLFWSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCN(C[C@H](O)COC)C2)CC[N@H+]1C ZINC001373626410 988503544 /nfs/dbraw/zinc/50/35/44/988503544.db2.gz DQBWCGZIUHEUIM-CBBWQLFWSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001373626330 988503850 /nfs/dbraw/zinc/50/38/50/988503850.db2.gz CFEHRGIUXBAYNF-QLFBSQMISA-N 1 3 311.426 -0.474 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1CCCN1C(=O)CN1CC[C@@H](C)C1 ZINC001373965021 988697910 /nfs/dbraw/zinc/69/79/10/988697910.db2.gz HOBWQJDCSQYJFO-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCCS(C)(=O)=O ZINC001491457005 1015430349 /nfs/dbraw/zinc/43/03/49/1015430349.db2.gz MTUKSVYWJDPVGG-DGCLKSJQSA-N 1 3 317.455 -0.533 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)CC[C@H]2CCC[N@H+]2C)n[nH]1 ZINC001374618285 989031179 /nfs/dbraw/zinc/03/11/79/989031179.db2.gz XOJPMWODXDJTQG-CHWSQXEVSA-N 1 3 324.429 -0.446 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)CC[C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001374618285 989031191 /nfs/dbraw/zinc/03/11/91/989031191.db2.gz XOJPMWODXDJTQG-CHWSQXEVSA-N 1 3 324.429 -0.446 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001374619109 989034477 /nfs/dbraw/zinc/03/44/77/989034477.db2.gz ZSCDWXVRQTWLFC-NWDGAFQWSA-N 1 3 316.446 -0.692 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]Cc1cn(C)nc1C)N(C)C ZINC001374660317 989103621 /nfs/dbraw/zinc/10/36/21/989103621.db2.gz XARXUEXYHHUMEM-KBPBESRZSA-N 1 3 311.430 -0.365 20 0 DBADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]Cc1cn(C)nc1C)N(C)C ZINC001374660318 989105334 /nfs/dbraw/zinc/10/53/34/989105334.db2.gz XARXUEXYHHUMEM-KGLIPLIRSA-N 1 3 311.430 -0.365 20 0 DBADHO Cc1ccncc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001374672624 989122849 /nfs/dbraw/zinc/12/28/49/989122849.db2.gz FXMRDWNWRKAMQJ-ZFWWWQNUSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1ccncc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001374672624 989122857 /nfs/dbraw/zinc/12/28/57/989122857.db2.gz FXMRDWNWRKAMQJ-ZFWWWQNUSA-N 1 3 306.410 -0.092 20 0 DBADHO CCN(CC[NH2+][C@H](C)C(=O)NC(N)=O)C(=O)[C@H]1CCCN1C ZINC001374722757 989168766 /nfs/dbraw/zinc/16/87/66/989168766.db2.gz QWOXROZJLPEKAA-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001374777179 989206947 /nfs/dbraw/zinc/20/69/47/989206947.db2.gz QLFZPVJHEGJPBS-KXUCPTDWSA-N 1 3 301.391 -0.996 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001374898450 989296589 /nfs/dbraw/zinc/29/65/89/989296589.db2.gz ONKTUXNKQBSOGN-DCAQKATOSA-N 1 3 315.418 -0.750 20 0 DBADHO CC[C@@H](C(=O)NCC1CN(C(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001374912585 989309368 /nfs/dbraw/zinc/30/93/68/989309368.db2.gz KTWDUGBEHMTVFO-AWEZNQCLSA-N 1 3 322.453 -0.003 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001375221748 989493703 /nfs/dbraw/zinc/49/37/03/989493703.db2.gz CUJOWHPYXYHFNW-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@H](C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)N1CCCCCC1 ZINC001376080260 989870925 /nfs/dbraw/zinc/87/09/25/989870925.db2.gz JUWKWRNLJYCSSE-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO C[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)N1CCCCCC1 ZINC001376080260 989870929 /nfs/dbraw/zinc/87/09/29/989870929.db2.gz JUWKWRNLJYCSSE-GDBMZVCRSA-N 1 3 313.442 -0.204 20 0 DBADHO COCCN1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001376084711 989874486 /nfs/dbraw/zinc/87/44/86/989874486.db2.gz WSGZIGURWJNFPU-DZKIICNBSA-N 1 3 313.442 -0.084 20 0 DBADHO COCCN1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001376084711 989874491 /nfs/dbraw/zinc/87/44/91/989874491.db2.gz WSGZIGURWJNFPU-DZKIICNBSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001376229534 989967822 /nfs/dbraw/zinc/96/78/22/989967822.db2.gz YHQZHDDSYQXEDO-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001376416377 990054907 /nfs/dbraw/zinc/05/49/07/990054907.db2.gz VVPKAZKFMUVXEW-QLFBSQMISA-N 1 3 313.442 -0.276 20 0 DBADHO COC[C@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001376416377 990054918 /nfs/dbraw/zinc/05/49/18/990054918.db2.gz VVPKAZKFMUVXEW-QLFBSQMISA-N 1 3 313.442 -0.276 20 0 DBADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001377072402 990434877 /nfs/dbraw/zinc/43/48/77/990434877.db2.gz ZZWGUOSGJMRRKS-GHMZBOCLSA-N 1 3 313.402 -0.993 20 0 DBADHO C[C@H](NC(=O)CN1CCC(CO)CC1)[C@H]1C[N@H+](C)CCN1C ZINC001548427814 1015566692 /nfs/dbraw/zinc/56/66/92/1015566692.db2.gz STDKZGQAPMDVHV-DZGCQCFKSA-N 1 3 312.458 -0.559 20 0 DBADHO C[C@H](NC(=O)CN1CCC(CO)CC1)[C@H]1C[N@@H+](C)CCN1C ZINC001548427814 1015566708 /nfs/dbraw/zinc/56/67/08/1015566708.db2.gz STDKZGQAPMDVHV-DZGCQCFKSA-N 1 3 312.458 -0.559 20 0 DBADHO CN(CC(=O)NC1(CO)CC[NH+](CCCO)CC1)C1CCC1 ZINC001377561702 990655322 /nfs/dbraw/zinc/65/53/22/990655322.db2.gz IFLGKFSREVIKTR-UHFFFAOYSA-N 1 3 313.442 -0.204 20 0 DBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377572964 990661065 /nfs/dbraw/zinc/66/10/65/990661065.db2.gz BGZZKSHWYQRZHY-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001377878271 990770096 /nfs/dbraw/zinc/77/00/96/990770096.db2.gz UCOUBHUGMPDREC-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001377878271 990770104 /nfs/dbraw/zinc/77/01/04/990770104.db2.gz UCOUBHUGMPDREC-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001377878275 990770868 /nfs/dbraw/zinc/77/08/68/990770868.db2.gz UCOUBHUGMPDREC-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@H](C)NCC(=O)NC(N)=O ZINC001377878275 990770871 /nfs/dbraw/zinc/77/08/71/990770871.db2.gz UCOUBHUGMPDREC-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001377918490 990794858 /nfs/dbraw/zinc/79/48/58/990794858.db2.gz VGHMIPZUUREQNT-VHSXEESVSA-N 1 3 301.391 -0.996 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001378185638 990877330 /nfs/dbraw/zinc/87/73/30/990877330.db2.gz ALQPOOBSORAZFN-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(C[C@H](O)COC)C1 ZINC001378185638 990877331 /nfs/dbraw/zinc/87/73/31/990877331.db2.gz ALQPOOBSORAZFN-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCN(C)C1=O ZINC001378315377 990928902 /nfs/dbraw/zinc/92/89/02/990928902.db2.gz HWRQUHZJTIXLDE-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001378871302 991224580 /nfs/dbraw/zinc/22/45/80/991224580.db2.gz GEOAHMSZJMRUNI-ZIAGYGMSSA-N 1 3 310.442 -0.066 20 0 DBADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCc1cnnn1C ZINC001379012882 991276710 /nfs/dbraw/zinc/27/67/10/991276710.db2.gz UTEXXSNLYZGADQ-JSGCOSHPSA-N 1 3 308.430 -0.003 20 0 DBADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCc1cnnn1C ZINC001379012882 991276723 /nfs/dbraw/zinc/27/67/23/991276723.db2.gz UTEXXSNLYZGADQ-JSGCOSHPSA-N 1 3 308.430 -0.003 20 0 DBADHO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC001548655740 1015626300 /nfs/dbraw/zinc/62/63/00/1015626300.db2.gz UDIWDAWQGJXHRY-OAGGEKHMSA-N 1 3 322.453 -0.445 20 0 DBADHO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@H](CN2CCOCC2)C1 ZINC001548655740 1015626304 /nfs/dbraw/zinc/62/63/04/1015626304.db2.gz UDIWDAWQGJXHRY-OAGGEKHMSA-N 1 3 322.453 -0.445 20 0 DBADHO C[C@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)N[C@@H](C)C(N)=O ZINC001379133748 991349697 /nfs/dbraw/zinc/34/96/97/991349697.db2.gz SKWLJBBRMNJJRN-NEPJUHHUSA-N 1 3 324.429 -0.631 20 0 DBADHO O=C(NC[C@@H](O)CNCc1ccccn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001379213906 991439571 /nfs/dbraw/zinc/43/95/71/991439571.db2.gz UXQHALAADZAPRI-JKSUJKDBSA-N 1 3 318.421 -0.010 20 0 DBADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379257673 991488000 /nfs/dbraw/zinc/48/80/00/991488000.db2.gz KETUXLFFUSGALR-ZIAGYGMSSA-N 1 3 324.425 -0.708 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cncc(F)c2)C1 ZINC001379284498 991516216 /nfs/dbraw/zinc/51/62/16/991516216.db2.gz IDFRFVHZNBACFX-JSGCOSHPSA-N 1 3 310.373 -0.261 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](O)CNCc2cncc(F)c2)C1 ZINC001379284498 991516224 /nfs/dbraw/zinc/51/62/24/991516224.db2.gz IDFRFVHZNBACFX-JSGCOSHPSA-N 1 3 310.373 -0.261 20 0 DBADHO CCN(CCN[C@@H](C)C(N)=O)C(=O)COC1CC[NH+](C)CC1 ZINC001379319418 991543769 /nfs/dbraw/zinc/54/37/69/991543769.db2.gz PJQVTIAFLAHGDW-LBPRGKRZSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001379412565 991646466 /nfs/dbraw/zinc/64/64/66/991646466.db2.gz BFNVRNVNKNLACG-VWYCJHECSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001379412565 991646468 /nfs/dbraw/zinc/64/64/68/991646468.db2.gz BFNVRNVNKNLACG-VWYCJHECSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H](CNCC(=O)NC1CCOCC1)NC(=O)CC[NH+](C)C ZINC001379418074 991649337 /nfs/dbraw/zinc/64/93/37/991649337.db2.gz MCTAUPQELGGGCO-GFCCVEGCSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)C1 ZINC001379480081 991709563 /nfs/dbraw/zinc/70/95/63/991709563.db2.gz RMWSCIYHOUOKJN-KGLIPLIRSA-N 1 3 309.414 -0.708 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001379598190 991812506 /nfs/dbraw/zinc/81/25/06/991812506.db2.gz JNJOISKJMMHIFO-NSHDSACASA-N 1 3 313.402 -0.848 20 0 DBADHO CN(C[C@H](O)C[NH2+]C[C@@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001379837561 991951392 /nfs/dbraw/zinc/95/13/92/991951392.db2.gz GYFZSZQDRAWUCU-GXTWGEPZSA-N 1 3 310.398 -0.212 20 0 DBADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001379837573 991953020 /nfs/dbraw/zinc/95/30/20/991953020.db2.gz GYFZSZQDRAWUCU-JSGCOSHPSA-N 1 3 310.398 -0.212 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@H]3C[NH2+]CCOC3)C2)nn1 ZINC001548939409 1015683323 /nfs/dbraw/zinc/68/33/23/1015683323.db2.gz SDKHNMYABFWEOI-DGCLKSJQSA-N 1 3 308.386 -0.864 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001380286856 992230902 /nfs/dbraw/zinc/23/09/02/992230902.db2.gz PZKKHFRUAAKFRB-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO C[NH+]1CCC(OCC(=O)N2CCC[C@@H]2CNCC(N)=O)CC1 ZINC001380291621 992235449 /nfs/dbraw/zinc/23/54/49/992235449.db2.gz NAPGPBRCAGDNOS-GFCCVEGCSA-N 1 3 312.414 -0.837 20 0 DBADHO O=C(c1[nH]nc2c1CNCC2)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001549046296 1015697633 /nfs/dbraw/zinc/69/76/33/1015697633.db2.gz SKVFPWSLDLEVSJ-NSHDSACASA-N 1 3 304.398 -0.825 20 0 DBADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001549050712 1015700931 /nfs/dbraw/zinc/70/09/31/1015700931.db2.gz QAGAJJVZSKPGMX-XQQFMLRXSA-N 1 3 309.414 -0.530 20 0 DBADHO CC[C@H](N)C(=O)N1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001549050714 1015701648 /nfs/dbraw/zinc/70/16/48/1015701648.db2.gz QAGAJJVZSKPGMX-YNEHKIRRSA-N 1 3 309.414 -0.530 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@]1(O)CCN(CCn2cccn2)C1 ZINC001380542666 992379592 /nfs/dbraw/zinc/37/95/92/992379592.db2.gz FMAQKCMHASJHNG-INIZCTEOSA-N 1 3 323.441 -0.222 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(CCn2cccn2)C1 ZINC001380542666 992379605 /nfs/dbraw/zinc/37/96/05/992379605.db2.gz FMAQKCMHASJHNG-INIZCTEOSA-N 1 3 323.441 -0.222 20 0 DBADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)N(C)C ZINC001381122283 992674266 /nfs/dbraw/zinc/67/42/66/992674266.db2.gz HSCGCOYLQYGTRW-QWHCGFSZSA-N 1 3 308.426 -0.393 20 0 DBADHO CCC[N@H+](C)CCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001381262070 992737158 /nfs/dbraw/zinc/73/71/58/992737158.db2.gz ZJFJNCKKGGALTK-UHFFFAOYSA-N 1 3 301.431 -0.346 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001381262070 992737173 /nfs/dbraw/zinc/73/71/73/992737173.db2.gz ZJFJNCKKGGALTK-UHFFFAOYSA-N 1 3 301.431 -0.346 20 0 DBADHO CCNC(=O)NC(=O)CN[C@H](C)[C@@H](C)NC(=O)CC[NH+](C)C ZINC001381418876 992794930 /nfs/dbraw/zinc/79/49/30/992794930.db2.gz KOKQVSUREZLSHX-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO COC[C@@H](O)CN1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001381800261 992885193 /nfs/dbraw/zinc/88/51/93/992885193.db2.gz CHMNRUSWYYNTBH-OCCSQVGLSA-N 1 3 313.442 -0.228 20 0 DBADHO C[C@H](CN(C)C(=O)c1cnn(CC[NH+](C)C)c1)N[C@@H](C)C(N)=O ZINC001382133717 993000631 /nfs/dbraw/zinc/00/06/31/993000631.db2.gz PQDLWCNSNHWOLX-NEPJUHHUSA-N 1 3 324.429 -0.631 20 0 DBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001382133720 993002050 /nfs/dbraw/zinc/00/20/50/993002050.db2.gz PQDLWCNSNHWOLX-NWDGAFQWSA-N 1 3 324.429 -0.631 20 0 DBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001382161764 993011923 /nfs/dbraw/zinc/01/19/23/993011923.db2.gz RABKHTGOJALQLF-GHMZBOCLSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCN(C)C[C@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001492257734 1015754198 /nfs/dbraw/zinc/75/41/98/1015754198.db2.gz UXKSVKKINPBLBB-QLFBSQMISA-N 1 3 323.441 -0.368 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCN(C)C[C@H](O)Cn2cccn2)CC[N@H+]1C ZINC001492257734 1015754205 /nfs/dbraw/zinc/75/42/05/1015754205.db2.gz UXKSVKKINPBLBB-QLFBSQMISA-N 1 3 323.441 -0.368 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@@H](O)C[NH2+]Cc2cnn(C)c2)CCC1 ZINC001382403485 993214794 /nfs/dbraw/zinc/21/47/94/993214794.db2.gz KZNIRAMSMPQNNZ-AWEZNQCLSA-N 1 3 323.441 -0.187 20 0 DBADHO C[C@@H](NC[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001382435246 993248131 /nfs/dbraw/zinc/24/81/31/993248131.db2.gz BUMDHJPLWMAUKX-OLZOCXBDSA-N 1 3 314.430 -0.855 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@]34CCC[C@@H]3C[NH2+]C4)C2)nn1 ZINC001549902342 1015772335 /nfs/dbraw/zinc/77/23/35/1015772335.db2.gz ASTGQZKBWFUUAK-KYOSRNDESA-N 1 3 304.398 -0.100 20 0 DBADHO COC[C@H](O)C[NH2+]C1CC(N(C)C(=O)CN(C)C(C)C)C1 ZINC001382590525 993369538 /nfs/dbraw/zinc/36/95/38/993369538.db2.gz PKVVPUIDGJQENH-JXQTWKCFSA-N 1 3 301.431 -0.087 20 0 DBADHO N[C@@H](Cc1ccccc1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088949 1015788961 /nfs/dbraw/zinc/78/89/61/1015788961.db2.gz ZCWHVYWERIYJDL-CABCVRRESA-N 1 3 314.393 -0.001 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)C2)nn1 ZINC001550096253 1015792242 /nfs/dbraw/zinc/79/22/42/1015792242.db2.gz IJJPPHZKPYSTCZ-NFAWXSAZSA-N 1 3 304.398 -0.100 20 0 DBADHO CN(CCNC(=O)C1CC[NH+](C)CC1)C[C@@H](O)Cn1cccn1 ZINC001492402790 1015798415 /nfs/dbraw/zinc/79/84/15/1015798415.db2.gz UVBDLDDPAXDLLE-OAHLLOKOSA-N 1 3 323.441 -0.366 20 0 DBADHO O=C(N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@H](O)C1)[C@@H]1CN2CCN1CCC2 ZINC001550161285 1015798004 /nfs/dbraw/zinc/79/80/04/1015798004.db2.gz PMRIUZPRIOYYQR-FZKCQIBNSA-N 1 3 322.453 -0.520 20 0 DBADHO O=C(N[C@@H]1CCC[C@@H]1[N@H+]1CC[C@H](O)C1)[C@@H]1CN2CCN1CCC2 ZINC001550161285 1015798012 /nfs/dbraw/zinc/79/80/12/1015798012.db2.gz PMRIUZPRIOYYQR-FZKCQIBNSA-N 1 3 322.453 -0.520 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001550203961 1015800112 /nfs/dbraw/zinc/80/01/12/1015800112.db2.gz RSZGNXLYUXLJCT-CHWSQXEVSA-N 1 3 324.425 -0.958 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001550203977 1015800658 /nfs/dbraw/zinc/80/06/58/1015800658.db2.gz RSZGNXLYUXLJCT-OLZOCXBDSA-N 1 3 324.425 -0.958 20 0 DBADHO Cn1nccc1[C@H]1[C@@H](NC[C@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1C ZINC001550436762 1015805973 /nfs/dbraw/zinc/80/59/73/1015805973.db2.gz PITIDOJZQRFNGD-TYNCELHUSA-N 1 3 319.409 -0.340 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN([C@@H]2C[C@@H]([NH3+])C[C@H]2O)CC1 ZINC001550438014 1015806986 /nfs/dbraw/zinc/80/69/86/1015806986.db2.gz MPXZYVLOLWCFTE-MGPQQGTHSA-N 1 3 310.442 -0.357 20 0 DBADHO [NH3+][C@@H]1c2ccccc2C[C@@H]1NC(=O)NCCN1CC[C@@H](O)C1 ZINC001551503450 1015828444 /nfs/dbraw/zinc/82/84/44/1015828444.db2.gz JJGHZSLDUUMUMV-VHDGCEQUSA-N 1 3 304.394 -0.023 20 0 DBADHO COCCN1CCC(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552169112 1015844649 /nfs/dbraw/zinc/84/46/49/1015844649.db2.gz VVWORESYPDZKTB-ZDUSSCGKSA-N 1 3 322.413 -0.347 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC001552168535 1015844690 /nfs/dbraw/zinc/84/46/90/1015844690.db2.gz BQPYCGAIRYHWRV-YNEHKIRRSA-N 1 3 320.397 -0.595 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552168527 1015845105 /nfs/dbraw/zinc/84/51/05/1015845105.db2.gz BQPYCGAIRYHWRV-FRRDWIJNSA-N 1 3 320.397 -0.595 20 0 DBADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@@H](F)[C@H](N)C2)cnn1C ZINC001552216608 1015850057 /nfs/dbraw/zinc/85/00/57/1015850057.db2.gz UILONFWSARCFHH-IGQOVBAYSA-N 1 3 309.389 -0.071 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC001552217025 1015850068 /nfs/dbraw/zinc/85/00/68/1015850068.db2.gz ZHSWSPZSXVOMND-NWDGAFQWSA-N 1 3 305.382 -0.107 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[C@H]2C2CC[NH2+]CC2)n1 ZINC001552217028 1015850128 /nfs/dbraw/zinc/85/01/28/1015850128.db2.gz ZHSWSPZSXVOMND-RYUDHWBXSA-N 1 3 305.382 -0.107 20 0 DBADHO CN1CCN(C2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)CC1 ZINC001552274202 1015852379 /nfs/dbraw/zinc/85/23/79/1015852379.db2.gz HAMAGLMSAVQBCS-AWEZNQCLSA-N 1 3 310.442 -0.539 20 0 DBADHO CN1CCN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC001552293877 1015854268 /nfs/dbraw/zinc/85/42/68/1015854268.db2.gz WNNUAHCMPPVKKN-OAGGEKHMSA-N 1 3 317.437 -0.065 20 0 DBADHO CN1CCN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)[C@H](Cc2ccccc2)C1 ZINC001552293877 1015854274 /nfs/dbraw/zinc/85/42/74/1015854274.db2.gz WNNUAHCMPPVKKN-OAGGEKHMSA-N 1 3 317.437 -0.065 20 0 DBADHO CCN1CCN(CCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC001552435459 1015860011 /nfs/dbraw/zinc/86/00/11/1015860011.db2.gz FQOPYVKICKUIBX-ZDUSSCGKSA-N 1 3 320.441 -0.146 20 0 DBADHO CN(C)C[C@@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CCO1 ZINC001552436662 1015860074 /nfs/dbraw/zinc/86/00/74/1015860074.db2.gz BMTPIGSSAJMMKA-CYBMUJFWSA-N 1 3 322.413 -0.395 20 0 DBADHO CN1CCN(C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC001552293873 1015854667 /nfs/dbraw/zinc/85/46/67/1015854667.db2.gz WNNUAHCMPPVKKN-HRCADAONSA-N 1 3 317.437 -0.065 20 0 DBADHO CN1CCN(C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)[C@@H](Cc2ccccc2)C1 ZINC001552293873 1015854671 /nfs/dbraw/zinc/85/46/71/1015854671.db2.gz WNNUAHCMPPVKKN-HRCADAONSA-N 1 3 317.437 -0.065 20 0 DBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401241100 994494413 /nfs/dbraw/zinc/49/44/13/994494413.db2.gz FSZLOUKTWLFRLM-GFCCVEGCSA-N 1 3 324.429 -0.759 20 0 DBADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001401251143 994498968 /nfs/dbraw/zinc/49/89/68/994498968.db2.gz IAVKMDIZLRPBAK-QWRGUYRKSA-N 1 3 315.418 -0.781 20 0 DBADHO C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1CNCC(N)=O ZINC001401318090 994519007 /nfs/dbraw/zinc/51/90/07/994519007.db2.gz YVDCEEAWTVTCCO-CHWSQXEVSA-N 1 3 308.426 -0.216 20 0 DBADHO C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1CNCC(N)=O ZINC001401318095 994519646 /nfs/dbraw/zinc/51/96/46/994519646.db2.gz YVDCEEAWTVTCCO-OLZOCXBDSA-N 1 3 308.426 -0.216 20 0 DBADHO COc1ccc([C@H]2CNCCN2C(=O)N2C[C@@H](N)[C@@H]([NH3+])C2)cc1 ZINC001552959749 1015871157 /nfs/dbraw/zinc/87/11/57/1015871157.db2.gz BIJGFFJKVGYLNJ-QLFBSQMISA-N 1 3 319.409 -0.268 20 0 DBADHO COc1ccc([C@H]2CNCCN2C(=O)N2C[C@@H]([NH3+])[C@@H](N)C2)cc1 ZINC001552959749 1015871159 /nfs/dbraw/zinc/87/11/59/1015871159.db2.gz BIJGFFJKVGYLNJ-QLFBSQMISA-N 1 3 319.409 -0.268 20 0 DBADHO CCn1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001401543222 994628170 /nfs/dbraw/zinc/62/81/70/994628170.db2.gz QJZYFGACFFUUGL-GJZGRUSLSA-N 1 3 323.441 -0.046 20 0 DBADHO CCn1ccc(CNC[C@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)n1 ZINC001401543222 994628179 /nfs/dbraw/zinc/62/81/79/994628179.db2.gz QJZYFGACFFUUGL-GJZGRUSLSA-N 1 3 323.441 -0.046 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001401549291 994635454 /nfs/dbraw/zinc/63/54/54/994635454.db2.gz DEJLUZVOJNHDFK-GFCCVEGCSA-N 1 3 316.446 -0.881 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001493250874 1015878680 /nfs/dbraw/zinc/87/86/80/1015878680.db2.gz AHFDNFLBOQPLAW-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CCN([C@H]2CCN(C)C2=O)C1 ZINC001493250874 1015878685 /nfs/dbraw/zinc/87/86/85/1015878685.db2.gz AHFDNFLBOQPLAW-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401641402 994723810 /nfs/dbraw/zinc/72/38/10/994723810.db2.gz VUZNTZVVJDDJDH-NXEZZACHSA-N 1 3 313.402 -0.994 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001401660771 994736633 /nfs/dbraw/zinc/73/66/33/994736633.db2.gz YNHIWWNBIYTZEY-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO CN1CCN(C(=O)c2cnc([C@@H]3CCCN3)nc2)[C@H](C[NH3+])C1 ZINC001553361046 1015885672 /nfs/dbraw/zinc/88/56/72/1015885672.db2.gz YDEIGUGFTNYIRY-OLZOCXBDSA-N 1 3 304.398 -0.384 20 0 DBADHO C[C@@H](CNCC(=O)N1CCOCC1)NC(=O)CCC[NH+](C)C ZINC001401699532 994765099 /nfs/dbraw/zinc/76/50/99/994765099.db2.gz FXMMHGQECWQJBY-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001401721386 994779472 /nfs/dbraw/zinc/77/94/72/994779472.db2.gz GZGDLYKUGFWACZ-QWRGUYRKSA-N 1 3 315.418 -0.735 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001401876462 994836543 /nfs/dbraw/zinc/83/65/43/994836543.db2.gz RTQMMBOTRYWCCJ-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCC(=O)N1CCC([C@@H]2CCN(CC(N)=O)C2)CC1 ZINC001401987596 994876512 /nfs/dbraw/zinc/87/65/12/994876512.db2.gz MKTYFZRXGKJACJ-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)N1CCC1 ZINC001402047413 994894422 /nfs/dbraw/zinc/89/44/22/994894422.db2.gz FKSWZBAWABCZPO-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]([NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001402369512 995112161 /nfs/dbraw/zinc/11/21/61/995112161.db2.gz FMFGFRKOGRUBEN-LLVKDONJSA-N 1 3 313.402 -0.994 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001402425188 995130058 /nfs/dbraw/zinc/13/00/58/995130058.db2.gz UBIWFIXKADCJIY-QLFBSQMISA-N 1 3 322.453 -0.051 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1 ZINC001402425188 995130061 /nfs/dbraw/zinc/13/00/61/995130061.db2.gz UBIWFIXKADCJIY-QLFBSQMISA-N 1 3 322.453 -0.051 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1C ZINC001402423902 995130152 /nfs/dbraw/zinc/13/01/52/995130152.db2.gz FUZFWPROWXBFGK-QWHCGFSZSA-N 1 3 310.442 -0.099 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCN1CCC([NH2+]C[C@@H](C)O)CC1 ZINC001402438557 995136492 /nfs/dbraw/zinc/13/64/92/995136492.db2.gz XYIIGEDTDLZNPX-GFCCVEGCSA-N 1 3 323.441 -0.188 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001402536394 995181416 /nfs/dbraw/zinc/18/14/16/995181416.db2.gz MUVBHLAHHUZSHY-GWOFURMSSA-N 1 3 313.402 -0.853 20 0 DBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001402858952 995310331 /nfs/dbraw/zinc/31/03/31/995310331.db2.gz ABZDROXWCSZWSY-AWEZNQCLSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@H]1CCC(=O)NC1(CO)CCN(CCO)CC1 ZINC001402858952 995310340 /nfs/dbraw/zinc/31/03/40/995310340.db2.gz ABZDROXWCSZWSY-AWEZNQCLSA-N 1 3 313.442 -0.204 20 0 DBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001403074620 995396604 /nfs/dbraw/zinc/39/66/04/995396604.db2.gz YNUBLPATJPCWCT-ZJUUUORDSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001403254581 995469505 /nfs/dbraw/zinc/46/95/05/995469505.db2.gz HMIFUZPHYQTMCB-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C1(C(=O)NCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001387813094 995493616 /nfs/dbraw/zinc/49/36/16/995493616.db2.gz VZASOHAHUJPCQN-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C1(C(=O)NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CCC1 ZINC001387813094 995493618 /nfs/dbraw/zinc/49/36/18/995493618.db2.gz VZASOHAHUJPCQN-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001403619468 995599659 /nfs/dbraw/zinc/59/96/59/995599659.db2.gz AFCGGZLSZXLIRG-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001403619468 995599670 /nfs/dbraw/zinc/59/96/70/995599670.db2.gz AFCGGZLSZXLIRG-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CC[C@@H](N2CC[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001404080003 995816130 /nfs/dbraw/zinc/81/61/30/995816130.db2.gz ZQCJHROQIBJNNK-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CNC(=O)CN[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001389598801 996038665 /nfs/dbraw/zinc/03/86/65/996038665.db2.gz ADPZDQVXKAGJSK-ZIAGYGMSSA-N 1 3 308.426 -0.441 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001389684972 996069623 /nfs/dbraw/zinc/06/96/23/996069623.db2.gz GAWVBHVUAOEWPD-GXTWGEPZSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](NCC(=O)NC2CC2)C2CC2)C1 ZINC001389684972 996069626 /nfs/dbraw/zinc/06/96/26/996069626.db2.gz GAWVBHVUAOEWPD-GXTWGEPZSA-N 1 3 308.426 -0.299 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001389805208 996105802 /nfs/dbraw/zinc/10/58/02/996105802.db2.gz WTBZIMACYAGIOW-JSGCOSHPSA-N 1 3 318.381 -0.600 20 0 DBADHO CC[C@@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001389840601 996116858 /nfs/dbraw/zinc/11/68/58/996116858.db2.gz XGEATHIPRCKKBG-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001389840601 996116867 /nfs/dbraw/zinc/11/68/67/996116867.db2.gz XGEATHIPRCKKBG-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@@H](C(=O)NCC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001389840600 996117176 /nfs/dbraw/zinc/11/71/76/996117176.db2.gz XGEATHIPRCKKBG-KBPBESRZSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@@H](C(=O)NCC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001389840600 996117178 /nfs/dbraw/zinc/11/71/78/996117178.db2.gz XGEATHIPRCKKBG-KBPBESRZSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)N(C)C ZINC001389972090 996152947 /nfs/dbraw/zinc/15/29/47/996152947.db2.gz BCMPOYGFNCRMNQ-FRRDWIJNSA-N 1 3 311.430 -0.411 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)NCC(N)=O ZINC001390479093 996273971 /nfs/dbraw/zinc/27/39/71/996273971.db2.gz JJBUMWQZYGIKNL-CFVMTHIKSA-N 1 3 318.421 -0.089 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)NCC(N)=O ZINC001390479093 996273975 /nfs/dbraw/zinc/27/39/75/996273975.db2.gz JJBUMWQZYGIKNL-CFVMTHIKSA-N 1 3 318.421 -0.089 20 0 DBADHO C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)N[C@@H](C)C(N)=O ZINC001390490349 996277721 /nfs/dbraw/zinc/27/77/21/996277721.db2.gz CSEAMBSGUSQARM-QWRGUYRKSA-N 1 3 310.402 -0.974 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)[NH2+]C[C@H](O)Cn1cccn1 ZINC001390526579 996289121 /nfs/dbraw/zinc/28/91/21/996289121.db2.gz QVPKIIGURLWPTC-AAEUAGOBSA-N 1 3 320.397 -0.387 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001390577261 996309334 /nfs/dbraw/zinc/30/93/34/996309334.db2.gz SYKZRRNSSTYFKA-ZDUSSCGKSA-N 1 3 311.430 -0.458 20 0 DBADHO CCN(CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[C@H](O)COC ZINC001390900762 996404869 /nfs/dbraw/zinc/40/48/69/996404869.db2.gz IKDZHIIRKZRZTP-LSDHHAIUSA-N 1 3 313.442 -0.226 20 0 DBADHO COC[C@H](O)C[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001391119033 996460119 /nfs/dbraw/zinc/46/01/19/996460119.db2.gz RPVOREOIRDXFSF-ZIAGYGMSSA-N 1 3 301.431 -0.228 20 0 DBADHO COC[C@H](O)C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001391119033 996460123 /nfs/dbraw/zinc/46/01/23/996460123.db2.gz RPVOREOIRDXFSF-ZIAGYGMSSA-N 1 3 301.431 -0.228 20 0 DBADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001391223029 996494333 /nfs/dbraw/zinc/49/43/33/996494333.db2.gz WFJZSMVRDAKQHL-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001391223029 996494336 /nfs/dbraw/zinc/49/43/36/996494336.db2.gz WFJZSMVRDAKQHL-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(CN1CCCC1)NCC[C@@H]1CC[N@@H+]([C@H]2CCNC2=O)C1 ZINC001391330929 996516824 /nfs/dbraw/zinc/51/68/24/996516824.db2.gz SNXYLQAGEXLNNF-KGLIPLIRSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CN1CCCC1)NCC[C@@H]1CC[N@H+]([C@H]2CCNC2=O)C1 ZINC001391330929 996516826 /nfs/dbraw/zinc/51/68/26/996516826.db2.gz SNXYLQAGEXLNNF-KGLIPLIRSA-N 1 3 308.426 -0.201 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@H+](C)[C@@H]2CCNC2=O)C1 ZINC001391361474 996525539 /nfs/dbraw/zinc/52/55/39/996525539.db2.gz SISWBKBQJPGLTF-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[N@@H+](C)[C@@H]2CCNC2=O)C1 ZINC001391361474 996525544 /nfs/dbraw/zinc/52/55/44/996525544.db2.gz SISWBKBQJPGLTF-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001391494973 996557913 /nfs/dbraw/zinc/55/79/13/996557913.db2.gz UPKKRSOCQVEJMV-CQSZACIVSA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C[C@@H]2CCc3ncnn32)C1 ZINC001391562440 996576281 /nfs/dbraw/zinc/57/62/81/996576281.db2.gz VMJAIVHGDBGGKD-STQMWFEESA-N 1 3 306.414 -0.092 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001391584999 996582819 /nfs/dbraw/zinc/58/28/19/996582819.db2.gz YRDWMIJWCUWNEA-KGLIPLIRSA-N 1 3 309.414 -0.614 20 0 DBADHO CC[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCOCC1 ZINC001391720950 996616703 /nfs/dbraw/zinc/61/67/03/996616703.db2.gz KQMMPKHHHUEOIO-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001391855166 996642457 /nfs/dbraw/zinc/64/24/57/996642457.db2.gz OGNSLNVXLHPHBP-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](O)CNC(=O)CC[NH+](C)C)CCC1 ZINC001392132484 996737697 /nfs/dbraw/zinc/73/76/97/996737697.db2.gz ZFDXECKHYCCSTF-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001493806473 1016068719 /nfs/dbraw/zinc/06/87/19/1016068719.db2.gz JLCBCLNFHRNZJO-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO C[NH+]1CCC(C(=O)NC[C@H](O)CNCc2cccnc2)CC1 ZINC001392388791 996862627 /nfs/dbraw/zinc/86/26/27/996862627.db2.gz CRZPJQHXHPLZAR-OAHLLOKOSA-N 1 3 306.410 -0.010 20 0 DBADHO CC(C)N(C)CC(=O)N(C)CC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001493807161 1016071194 /nfs/dbraw/zinc/07/11/94/1016071194.db2.gz WUXKCMKEHYOIOC-CYBMUJFWSA-N 1 3 319.471 -0.191 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001392428561 996914044 /nfs/dbraw/zinc/91/40/44/996914044.db2.gz PACWHLFLMJWMSI-KGLIPLIRSA-N 1 3 301.431 -0.180 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NC[C@H](C)NC(=O)CCC[NH+](C)C ZINC001392592713 997065939 /nfs/dbraw/zinc/06/59/39/997065939.db2.gz ULKDNLGCACSYGO-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001392776047 997200797 /nfs/dbraw/zinc/20/07/97/997200797.db2.gz WZXUQQVOFBUZCT-LSDHHAIUSA-N 1 3 322.453 -0.099 20 0 DBADHO O=C(N[C@@H](CN[C@H]1CCNC1=O)C1CC1)C12CCC[NH+]1CCC2 ZINC001392778201 997203513 /nfs/dbraw/zinc/20/35/13/997203513.db2.gz QZYYVRCUSBIDCA-KBPBESRZSA-N 1 3 320.437 -0.012 20 0 DBADHO C[C@H](CNCC(=O)N(C)C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001405802917 997429510 /nfs/dbraw/zinc/42/95/10/997429510.db2.gz CLWPRILEGSOAMI-OCCSQVGLSA-N 1 3 310.442 -0.147 20 0 DBADHO 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315.418 -0.781 20 0 DBADHO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001422316678 1000821788 /nfs/dbraw/zinc/82/17/88/1000821788.db2.gz RLIPYLGWTUXMIK-VXGBXAGGSA-N 1 3 314.430 -0.809 20 0 DBADHO CNC(=O)[C@H](C)NC[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001422425115 1000868432 /nfs/dbraw/zinc/86/84/32/1000868432.db2.gz RVBGZQHXPWTYRF-QWHCGFSZSA-N 1 3 314.430 -0.936 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC001410780815 1000901268 /nfs/dbraw/zinc/90/12/68/1000901268.db2.gz JEABHLVUSIWHIP-QWHCGFSZSA-N 1 3 310.398 -0.246 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001422619002 1000939538 /nfs/dbraw/zinc/93/95/38/1000939538.db2.gz SATDDZTWFRAYBG-CYBMUJFWSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001422697775 1000976965 /nfs/dbraw/zinc/97/69/65/1000976965.db2.gz QLFZPVJHEGJPBS-GUBZILKMSA-N 1 3 301.391 -0.996 20 0 DBADHO C[C@H](NCC(N)=O)[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 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ZINC001412475352 1001418300 /nfs/dbraw/zinc/41/83/00/1001418300.db2.gz DVAISQYJCAHLTN-GBJTYRQASA-N 1 3 311.426 -0.189 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001424234726 1001603760 /nfs/dbraw/zinc/60/37/60/1001603760.db2.gz DXZZZPYBNYQUFR-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CN[C@@H](C)C(N)=O)C1 ZINC001424234726 1001603763 /nfs/dbraw/zinc/60/37/63/1001603763.db2.gz DXZZZPYBNYQUFR-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCN(C(=O)Cc3c[nH]cn3)CC2)CC1 ZINC001414516507 1002405751 /nfs/dbraw/zinc/40/57/51/1002405751.db2.gz XTXTVYXUTOOESG-UHFFFAOYSA-N 1 3 319.409 -0.035 20 0 DBADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC001434422924 1002463859 /nfs/dbraw/zinc/46/38/59/1002463859.db2.gz PGEORAAHFFISTQ-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC001434422924 1002463867 /nfs/dbraw/zinc/46/38/67/1002463867.db2.gz 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CCCN(C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001427319279 1003079598 /nfs/dbraw/zinc/07/95/98/1003079598.db2.gz QKGNORDAOPDNJJ-AWEZNQCLSA-N 1 3 310.442 -0.049 20 0 DBADHO CCCN(C)CC(=O)N1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001427319279 1003079612 /nfs/dbraw/zinc/07/96/12/1003079612.db2.gz QKGNORDAOPDNJJ-AWEZNQCLSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1)[C@H]1CCNC1=O ZINC001437989236 1003314122 /nfs/dbraw/zinc/31/41/22/1003314122.db2.gz HRLYPUWRIKJIRE-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](C(N)=O)N(C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001437994404 1003314912 /nfs/dbraw/zinc/31/49/12/1003314912.db2.gz SQIIEOMLPSKMFE-CHWSQXEVSA-N 1 3 310.442 -0.018 20 0 DBADHO CCNC(=O)CN[C@@H](CC)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001438303098 1003413483 /nfs/dbraw/zinc/41/34/83/1003413483.db2.gz LDXNYKLOIBOZPK-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CN[C@H](CC)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438303102 1003414188 /nfs/dbraw/zinc/41/41/88/1003414188.db2.gz LDXNYKLOIBOZPK-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](C[NH2+]CCCS(C)(=O)=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001496028283 1016822634 /nfs/dbraw/zinc/82/26/34/1016822634.db2.gz NRYAKJPYMVFOBY-STQMWFEESA-N 1 3 319.471 -0.048 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001438992024 1003822544 /nfs/dbraw/zinc/82/25/44/1003822544.db2.gz JBECUHIWTDUDIQ-CABCVRRESA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001438992024 1003822551 /nfs/dbraw/zinc/82/25/51/1003822551.db2.gz JBECUHIWTDUDIQ-CABCVRRESA-N 1 3 323.441 -0.140 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001439038174 1003846198 /nfs/dbraw/zinc/84/61/98/1003846198.db2.gz XRCWBBZARKZUCM-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN[C@@H]1CCCN(C)C1=O ZINC001439038174 1003846202 /nfs/dbraw/zinc/84/62/02/1003846202.db2.gz XRCWBBZARKZUCM-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO Cc1nc([C@H](C)NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001439048287 1003852657 /nfs/dbraw/zinc/85/26/57/1003852657.db2.gz OUONEMPGILMWTP-CMPLNLGQSA-N 1 3 322.413 -0.663 20 0 DBADHO C[C@@H](NC[C@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001496061259 1016831080 /nfs/dbraw/zinc/83/10/80/1016831080.db2.gz LZKSGLHEAGVVPX-NWDGAFQWSA-N 1 3 324.429 -0.631 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001439268614 1003893316 /nfs/dbraw/zinc/89/33/16/1003893316.db2.gz ZZUBEZJXBDTAOM-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001439268614 1003893317 /nfs/dbraw/zinc/89/33/17/1003893317.db2.gz ZZUBEZJXBDTAOM-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001439268616 1003894076 /nfs/dbraw/zinc/89/40/76/1003894076.db2.gz ZZUBEZJXBDTAOM-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CN[C@H](C)C(=O)NC(N)=O ZINC001439268616 1003894077 /nfs/dbraw/zinc/89/40/77/1003894077.db2.gz ZZUBEZJXBDTAOM-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CN(CC(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001417786179 1004036665 /nfs/dbraw/zinc/03/66/65/1004036665.db2.gz DYISMMUGAFMHNJ-OBJOEFQTSA-N 1 3 308.426 -0.156 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](CCO)C[C@H](C)O)C1 ZINC001417829897 1004059306 /nfs/dbraw/zinc/05/93/06/1004059306.db2.gz KBYGPIQXOFPDEB-LSDHHAIUSA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)C[C@H](C)O)C1 ZINC001417829897 1004059320 /nfs/dbraw/zinc/05/93/20/1004059320.db2.gz KBYGPIQXOFPDEB-LSDHHAIUSA-N 1 3 315.458 -0.007 20 0 DBADHO C[NH+](C)CCCC(=O)NCC1(NCC(N)=O)CCOCC1 ZINC001439968906 1004156046 /nfs/dbraw/zinc/15/60/46/1004156046.db2.gz OOCXSOBKTLSMNM-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO O=C(NC[C@@H](N[C@H]1CCNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001418012703 1004162171 /nfs/dbraw/zinc/16/21/71/1004162171.db2.gz YWTUCKKMYZMADE-QWHCGFSZSA-N 1 3 306.410 -0.545 20 0 DBADHO C[NH+](C)Cc1ccc(C(=O)NC[C@]2(O)CCN(CCO)C2)cc1 ZINC001440008751 1004187888 /nfs/dbraw/zinc/18/78/88/1004187888.db2.gz DWYDLGQNLDICDT-QGZVFWFLSA-N 1 3 321.421 -0.093 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001440024868 1004204126 /nfs/dbraw/zinc/20/41/26/1004204126.db2.gz SCBRRDOHTZBFPC-GDBMZVCRSA-N 1 3 313.442 -0.082 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001440024868 1004204132 /nfs/dbraw/zinc/20/41/32/1004204132.db2.gz SCBRRDOHTZBFPC-GDBMZVCRSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NCC(=O)N(C)C ZINC001418230330 1004280370 /nfs/dbraw/zinc/28/03/70/1004280370.db2.gz YJXOUNLOANTLNC-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)NCC(=O)N(C)C ZINC001418230329 1004280509 /nfs/dbraw/zinc/28/05/09/1004280509.db2.gz YJXOUNLOANTLNC-GFCCVEGCSA-N 1 3 324.429 -0.759 20 0 DBADHO CC(C)CNC(=O)CN[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001418299232 1004324370 /nfs/dbraw/zinc/32/43/70/1004324370.db2.gz HMBDRFFPZZDGBF-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001418352382 1004356241 /nfs/dbraw/zinc/35/62/41/1004356241.db2.gz UABRYRINAXCJSX-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001418352369 1004356585 /nfs/dbraw/zinc/35/65/85/1004356585.db2.gz UABRYRINAXCJSX-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001496251801 1016877343 /nfs/dbraw/zinc/87/73/43/1016877343.db2.gz WIYVDZAAASONHU-NEPJUHHUSA-N 1 3 312.414 -0.432 20 0 DBADHO C[C@H](NCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001418807826 1004657520 /nfs/dbraw/zinc/65/75/20/1004657520.db2.gz BUKAUAKBWAPKAN-JSGCOSHPSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@@H]1CCN(C)C1=O ZINC001418810808 1004659639 /nfs/dbraw/zinc/65/96/39/1004659639.db2.gz PDMDMSQZJBLCSX-QWHCGFSZSA-N 1 3 316.421 -0.055 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001418834432 1004683719 /nfs/dbraw/zinc/68/37/19/1004683719.db2.gz WLPXRLDBOQWFMH-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1=O ZINC001418834432 1004683726 /nfs/dbraw/zinc/68/37/26/1004683726.db2.gz WLPXRLDBOQWFMH-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001419250789 1004842695 /nfs/dbraw/zinc/84/26/95/1004842695.db2.gz LJRMMMKKYZFERS-MELADBBJSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](NCC(=O)NC)C2CC2)CC[N@H+]1C ZINC001419250789 1004842696 /nfs/dbraw/zinc/84/26/96/1004842696.db2.gz LJRMMMKKYZFERS-MELADBBJSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001419519673 1004891446 /nfs/dbraw/zinc/89/14/46/1004891446.db2.gz NZTUBRPQKCTXSM-BETUJISGSA-N 1 3 311.430 -0.411 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001419616860 1004918507 /nfs/dbraw/zinc/91/85/07/1004918507.db2.gz HNJDSBUPJNDGHX-KGLIPLIRSA-N 1 3 310.398 -0.070 20 0 DBADHO CCN(C)C(=O)CN[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001419735161 1004959014 /nfs/dbraw/zinc/95/90/14/1004959014.db2.gz DESLUPFUHIAYBP-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)CC[N@@H+]1C ZINC001419739626 1004960697 /nfs/dbraw/zinc/96/06/97/1004960697.db2.gz LGVISWQPMKRGLM-OUAUKWLOSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)NCC(=O)NC(N)=O)CC[N@H+]1C ZINC001419739626 1004960702 /nfs/dbraw/zinc/96/07/02/1004960702.db2.gz LGVISWQPMKRGLM-OUAUKWLOSA-N 1 3 313.402 -0.994 20 0 DBADHO CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001420138764 1005116622 /nfs/dbraw/zinc/11/66/22/1005116622.db2.gz KTSQGPZJTVQOJR-ZYHUDNBSSA-N 1 3 315.418 -0.748 20 0 DBADHO CCCNC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420295182 1005191291 /nfs/dbraw/zinc/19/12/91/1005191291.db2.gz PNRLWPDGYZQBTG-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)[C@H](C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001420340196 1005221936 /nfs/dbraw/zinc/22/19/36/1005221936.db2.gz ONKTUXNKQBSOGN-GMTAPVOTSA-N 1 3 315.418 -0.750 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC(=O)NC ZINC001420358767 1005231161 /nfs/dbraw/zinc/23/11/61/1005231161.db2.gz DRDALAOPKNVVAJ-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@H](C)C(=O)NC(=O)NC ZINC001420358767 1005231165 /nfs/dbraw/zinc/23/11/65/1005231165.db2.gz DRDALAOPKNVVAJ-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001440393008 1006096493 /nfs/dbraw/zinc/09/64/93/1006096493.db2.gz FPZFHOYMFCRVKU-ZIAGYGMSSA-N 1 3 317.430 -0.849 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001440403090 1006097583 /nfs/dbraw/zinc/09/75/83/1006097583.db2.gz QTWCHCZFJQUYOU-STQMWFEESA-N 1 3 314.430 -0.722 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001440399314 1006098707 /nfs/dbraw/zinc/09/87/07/1006098707.db2.gz LRMLXHWFGGJHDT-RYUDHWBXSA-N 1 3 300.403 -0.983 20 0 DBADHO C[NH+](C)CCC(=O)N1C[C@H]2CCN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001428957821 1006150320 /nfs/dbraw/zinc/15/03/20/1006150320.db2.gz PRLYWZSHPAWVSX-TZMCWYRMSA-N 1 3 319.409 -0.037 20 0 DBADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001440767133 1006297690 /nfs/dbraw/zinc/29/76/90/1006297690.db2.gz ZBZXANBYAXXOPF-IYXRBSQSSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441013179 1006420242 /nfs/dbraw/zinc/42/02/42/1006420242.db2.gz PHFWOVMMDKGSIL-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)N(C)CCN1CCCC1=O ZINC001441013179 1006420251 /nfs/dbraw/zinc/42/02/51/1006420251.db2.gz PHFWOVMMDKGSIL-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@H]21 ZINC001441322286 1006584776 /nfs/dbraw/zinc/58/47/76/1006584776.db2.gz 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C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001441815787 1006887494 /nfs/dbraw/zinc/88/74/94/1006887494.db2.gz CRJNSXMAGRHTAH-SMDDNHRTSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@H]1C[C@@H](NCC(=O)NC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001441828596 1006891522 /nfs/dbraw/zinc/89/15/22/1006891522.db2.gz BLJCSDNRSKOTJW-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001497053073 1017226672 /nfs/dbraw/zinc/22/66/72/1017226672.db2.gz ZPVFBNDWLRIBBR-AWEZNQCLSA-N 1 3 321.425 -0.306 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001442037057 1007116601 /nfs/dbraw/zinc/11/66/01/1007116601.db2.gz PQIHVEHJHRGDPJ-CHWSQXEVSA-N 1 3 316.446 -0.788 20 0 DBADHO C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)NCc1nccn1C ZINC001442047870 1007136165 /nfs/dbraw/zinc/13/61/65/1007136165.db2.gz JKJHNMOZZXNURI-UONOGXRCSA-N 1 3 323.441 -0.017 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCc1ccco1 ZINC001442048635 1007137442 /nfs/dbraw/zinc/13/74/42/1007137442.db2.gz KBBRCTBKOGZPLK-OLZOCXBDSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCc1ccco1 ZINC001442048635 1007137454 /nfs/dbraw/zinc/13/74/54/1007137454.db2.gz KBBRCTBKOGZPLK-OLZOCXBDSA-N 1 3 322.409 -0.058 20 0 DBADHO O=C(C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)N1CCC1 ZINC001442149108 1007263658 /nfs/dbraw/zinc/26/36/58/1007263658.db2.gz KTIMOCSRVVCNOP-GFCCVEGCSA-N 1 3 305.382 -0.377 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1=O ZINC001443073510 1007781541 /nfs/dbraw/zinc/78/15/41/1007781541.db2.gz DQJMQDJUOHOJLI-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001443077628 1007784358 /nfs/dbraw/zinc/78/43/58/1007784358.db2.gz JUTGEAXLODAQDB-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO CN(C)C(=O)CN1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001443256371 1007817221 /nfs/dbraw/zinc/81/72/21/1007817221.db2.gz BYMSJBMITYEJOE-CQSZACIVSA-N 1 3 322.453 -0.001 20 0 DBADHO CCNC(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001496864628 1017079780 /nfs/dbraw/zinc/07/97/80/1017079780.db2.gz URVVIZRDAJCVFB-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001432455968 1007941811 /nfs/dbraw/zinc/94/18/11/1007941811.db2.gz XRGNJNXURJXQAR-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@H]1C ZINC001444785161 1008244886 /nfs/dbraw/zinc/24/48/86/1008244886.db2.gz IJVCCGZZRNWISE-YPMHNXCESA-N 1 3 307.398 -0.085 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](O)C[NH2+]C[C@H]2CCCOC2)CCC1 ZINC001445188826 1008298149 /nfs/dbraw/zinc/29/81/49/1008298149.db2.gz KZCBOCIXDIDBIW-ZIAGYGMSSA-N 1 3 313.442 -0.036 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001445575380 1008399936 /nfs/dbraw/zinc/39/99/36/1008399936.db2.gz ZNIYAVYEFWZBGY-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001445575380 1008399942 /nfs/dbraw/zinc/39/99/42/1008399942.db2.gz ZNIYAVYEFWZBGY-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO CNC(=O)CNC[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001445946049 1008451059 /nfs/dbraw/zinc/45/10/59/1008451059.db2.gz CRKHEZXFKCPCSZ-KGLIPLIRSA-N 1 3 308.426 -0.441 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@]2(CO)CCCN(CCCO)C2)CC1 ZINC001447019508 1008877681 /nfs/dbraw/zinc/87/76/81/1008877681.db2.gz MEBHRYXKOLPELZ-MRXNPFEDSA-N 1 3 313.442 -0.346 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@]2(CO)CCCN(CCCO)C2)CC1 ZINC001447019505 1008878119 /nfs/dbraw/zinc/87/81/19/1008878119.db2.gz MEBHRYXKOLPELZ-INIZCTEOSA-N 1 3 313.442 -0.346 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCO[C@H](CN[C@H]3CCNC3=O)C2)CC1 ZINC001447282036 1009001210 /nfs/dbraw/zinc/00/12/10/1009001210.db2.gz QYMQJUAMLXKVAD-OLZOCXBDSA-N 1 3 324.425 -0.966 20 0 DBADHO Cc1nc(CNC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001447292518 1009008185 /nfs/dbraw/zinc/00/81/85/1009008185.db2.gz UDRLQNSGISIRMQ-LBPRGKRZSA-N 1 3 310.402 -0.618 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001447333359 1009035180 /nfs/dbraw/zinc/03/51/80/1009035180.db2.gz PKNXRRALGQOYJX-RDBSUJKOSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001447333359 1009035200 /nfs/dbraw/zinc/03/52/00/1009035200.db2.gz PKNXRRALGQOYJX-RDBSUJKOSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[N@H+](C)CCC(=O)NC1(CO)CCN(CCCO)CC1 ZINC001447729347 1009265256 /nfs/dbraw/zinc/26/52/56/1009265256.db2.gz KTGJIHWCGGHBBV-UHFFFAOYSA-N 1 3 301.431 -0.346 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC1(CO)CCN(CCCO)CC1 ZINC001447729347 1009265288 /nfs/dbraw/zinc/26/52/88/1009265288.db2.gz KTGJIHWCGGHBBV-UHFFFAOYSA-N 1 3 301.431 -0.346 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2cccnc2)C1 ZINC001497091965 1017260874 /nfs/dbraw/zinc/26/08/74/1017260874.db2.gz MAACCYVWLZLHFM-DZGCQCFKSA-N 1 3 306.410 -0.010 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H](O)CNCc2cccnc2)C1 ZINC001497091965 1017260883 /nfs/dbraw/zinc/26/08/83/1017260883.db2.gz MAACCYVWLZLHFM-DZGCQCFKSA-N 1 3 306.410 -0.010 20 0 DBADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCCS(C)(=O)=O ZINC001447907278 1009387520 /nfs/dbraw/zinc/38/75/20/1009387520.db2.gz RLLZIUATWGPYLN-NWDGAFQWSA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)CCN1CCNC1=O ZINC001448141608 1009557758 /nfs/dbraw/zinc/55/77/58/1009557758.db2.gz AHQWWOVGHAUVLF-CHWSQXEVSA-N 1 3 311.430 -0.600 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)CCN1CCNC1=O ZINC001448141608 1009557769 /nfs/dbraw/zinc/55/77/69/1009557769.db2.gz AHQWWOVGHAUVLF-CHWSQXEVSA-N 1 3 311.430 -0.600 20 0 DBADHO CN(C(=O)CNC(=O)C(C)(C)C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448622610 1009830100 /nfs/dbraw/zinc/83/01/00/1009830100.db2.gz XBRPSDISQIDADX-LLVKDONJSA-N 1 3 312.414 -0.539 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1=O ZINC001448626213 1009830529 /nfs/dbraw/zinc/83/05/29/1009830529.db2.gz ARAOLGIOBBYXJW-RYUDHWBXSA-N 1 3 301.387 -0.947 20 0 DBADHO CN(C(=O)CN1CCCC1)[C@@H](C[NH2+][C@H]1CCNC1=O)C1CC1 ZINC001448621637 1009830961 /nfs/dbraw/zinc/83/09/61/1009830961.db2.gz WKIKEPZHSGEFJN-KBPBESRZSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC001449190740 1010355629 /nfs/dbraw/zinc/35/56/29/1010355629.db2.gz OREVUBYAFCMNJI-ZIAGYGMSSA-N 1 3 301.431 -0.228 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001480116015 1010539056 /nfs/dbraw/zinc/53/90/56/1010539056.db2.gz XZBYVCGZYFMCDZ-RYUDHWBXSA-N 1 3 310.398 -0.676 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001480233474 1010583891 /nfs/dbraw/zinc/58/38/91/1010583891.db2.gz CDZHRLWMZRRCAI-TXEJJXNPSA-N 1 3 305.444 -0.390 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001480232281 1010584490 /nfs/dbraw/zinc/58/44/90/1010584490.db2.gz RLJHQVRWWSTPNX-WRWGMCAJSA-N 1 3 310.398 -0.631 20 0 DBADHO C[C@H](CNC(=O)CC[NH+](C)C)NCCN1CCCS1(=O)=O ZINC001480531165 1010682434 /nfs/dbraw/zinc/68/24/34/1010682434.db2.gz VIIIPQRCWPFJBF-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001450515175 1010747438 /nfs/dbraw/zinc/74/74/38/1010747438.db2.gz BJSOQPRBWVYAPH-CYBMUJFWSA-N 1 3 322.453 -0.003 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001481094977 1010840184 /nfs/dbraw/zinc/84/01/84/1010840184.db2.gz DUCMKVUCJMPGDJ-HIFRSBDPSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CN(C)C2CCC2)C1 ZINC001481094977 1010840185 /nfs/dbraw/zinc/84/01/85/1010840185.db2.gz DUCMKVUCJMPGDJ-HIFRSBDPSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001481630436 1010944265 /nfs/dbraw/zinc/94/42/65/1010944265.db2.gz IXPDZKAHDFYKOX-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481630436 1010944266 /nfs/dbraw/zinc/94/42/66/1010944266.db2.gz IXPDZKAHDFYKOX-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001482173670 1011073690 /nfs/dbraw/zinc/07/36/90/1011073690.db2.gz PVFNPDSXBBYNFH-GHMZBOCLSA-N 1 3 315.418 -0.748 20 0 DBADHO CN(C[C@@H]1CCN1C(=O)CC[NH+](C)C)C(=O)Cc1c[nH]cn1 ZINC001452885472 1011451283 /nfs/dbraw/zinc/45/12/83/1011451283.db2.gz PBHIHWLKWKBQJW-ZDUSSCGKSA-N 1 3 307.398 -0.037 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001482789817 1011466764 /nfs/dbraw/zinc/46/67/64/1011466764.db2.gz YTJAEKBEWMIDNE-LBPRGKRZSA-N 1 3 306.370 -0.776 20 0 DBADHO COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001482790611 1011467839 /nfs/dbraw/zinc/46/78/39/1011467839.db2.gz FYUARHLKKABKLP-ZIAGYGMSSA-N 1 3 322.409 -0.391 20 0 DBADHO COc1ccc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001482790611 1011467848 /nfs/dbraw/zinc/46/78/48/1011467848.db2.gz FYUARHLKKABKLP-ZIAGYGMSSA-N 1 3 322.409 -0.391 20 0 DBADHO CC[C@H](NC/C=C\CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001483009740 1011600684 /nfs/dbraw/zinc/60/06/84/1011600684.db2.gz XBBHKTKPTGPSQP-NMEQGOOXSA-N 1 3 308.426 -0.146 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC)N(C)C ZINC001483140322 1011723763 /nfs/dbraw/zinc/72/37/63/1011723763.db2.gz LUBHIFIAOSEBHV-OUAUKWLOSA-N 1 3 315.418 -0.735 20 0 DBADHO C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@@H](C)CN1CCOCC1 ZINC001483194906 1011781113 /nfs/dbraw/zinc/78/11/13/1011781113.db2.gz QTKZEXXJGCCGQY-UONOGXRCSA-N 1 3 323.441 -0.017 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001483228597 1011804986 /nfs/dbraw/zinc/80/49/86/1011804986.db2.gz LFKLTGUEJZNVCY-WFASDCNBSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CN(C)C1CCC1 ZINC001483235381 1011807778 /nfs/dbraw/zinc/80/77/78/1011807778.db2.gz NQAVDQXMDSULMK-JQWIXIFHSA-N 1 3 310.398 -0.630 20 0 DBADHO C[C@@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)CC[NH+]1CCCCC1 ZINC001483296210 1011831972 /nfs/dbraw/zinc/83/19/72/1011831972.db2.gz BBTHHFBPSZBJKH-STQMWFEESA-N 1 3 324.425 -0.238 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)CN(C)C(C)C ZINC001483296716 1011832307 /nfs/dbraw/zinc/83/23/07/1011832307.db2.gz PPEGSMXNIFOXLD-NSHDSACASA-N 1 3 315.418 -0.733 20 0 DBADHO CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)Cc1c[nH]cn1 ZINC001483494066 1011890687 /nfs/dbraw/zinc/89/06/87/1011890687.db2.gz AQBDXHIGHVUMDF-NSHDSACASA-N 1 3 307.354 -0.805 20 0 DBADHO CCNC(=O)CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001483953110 1012230504 /nfs/dbraw/zinc/23/05/04/1012230504.db2.gz WRZFVVDRBZTYDR-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[C@@H](C(=O)NC[C@]1(O)CCN(CCO)C1)[NH+](CC)CC ZINC001484234262 1012428856 /nfs/dbraw/zinc/42/88/56/1012428856.db2.gz AUVDFKZHTJNXNL-DZGCQCFKSA-N 1 3 301.431 -0.348 20 0 DBADHO CC(C)(C(=O)N1CCC[C@](CO)([NH2+]CCO)C1)N1CCCC1 ZINC001484845344 1012875061 /nfs/dbraw/zinc/87/50/61/1012875061.db2.gz TZLNZNZOZJHMLB-INIZCTEOSA-N 1 3 313.442 -0.204 20 0 DBADHO CNC(=O)CN[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001484900622 1012892259 /nfs/dbraw/zinc/89/22/59/1012892259.db2.gz VJIYGDPTZZLILQ-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001485149334 1013022040 /nfs/dbraw/zinc/02/20/40/1013022040.db2.gz ZISUCGLHMFTOGT-NEPJUHHUSA-N 1 3 324.429 -0.713 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC[C@H]1CCCO1 ZINC001497098448 1017267078 /nfs/dbraw/zinc/26/70/78/1017267078.db2.gz OIKCFPIQEYFGED-QWHCGFSZSA-N 1 3 310.398 -0.104 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCN1C(=O)CCC1=O ZINC001497649434 1017453194 /nfs/dbraw/zinc/45/31/94/1017453194.db2.gz ISBHXJWZBUAYDT-YWVDXFKGSA-N 1 3 322.409 -0.508 20 0 DBADHO CN1CCC[C@@H](NC/C=C\CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001497725245 1017480772 /nfs/dbraw/zinc/48/07/72/1017480772.db2.gz BDBRYRRFVRTSGD-PYLYLYNFSA-N 1 3 320.437 -0.035 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001498327853 1017737371 /nfs/dbraw/zinc/73/73/71/1017737371.db2.gz RJUCJFPENDSZRU-HNNXBMFYSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001498672887 1017847099 /nfs/dbraw/zinc/84/70/99/1017847099.db2.gz KDRKPIKNTAKQFZ-AWEZNQCLSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001498757440 1017860480 /nfs/dbraw/zinc/86/04/80/1017860480.db2.gz BVHZJRQLXFYLPJ-BFHYXJOUSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@H](CNCC(=O)NC)C2CC2)CC[N@H+]1C ZINC001498757440 1017860482 /nfs/dbraw/zinc/86/04/82/1017860482.db2.gz BVHZJRQLXFYLPJ-BFHYXJOUSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(=O)NC)C2CC2)CC[N@@H+]1C ZINC001498757441 1017861158 /nfs/dbraw/zinc/86/11/58/1017861158.db2.gz BVHZJRQLXFYLPJ-MELADBBJSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H](CNCC(=O)NC)C2CC2)CC[N@H+]1C ZINC001498757441 1017861159 /nfs/dbraw/zinc/86/11/59/1017861159.db2.gz BVHZJRQLXFYLPJ-MELADBBJSA-N 1 3 310.442 -0.053 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(N[C@@H]3CCCNC3=O)CC2)C1 ZINC001499420736 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CN(C)CCN1CCN(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)CC1=O ZINC001578419144 1020236346 /nfs/dbraw/zinc/23/63/46/1020236346.db2.gz XVXIPMHKAJSUAS-JOCQHMNTSA-N 1 3 311.430 -0.328 20 0 DBADHO CN(C)[C@H]1C[C@@H](CNC(=O)[C@@]23C[NH2+]C[C@@H]2CS(=O)(=O)C3)C1 ZINC001578423348 1020238490 /nfs/dbraw/zinc/23/84/90/1020238490.db2.gz CKXTUDMHAZAOLO-NRWUCQMLSA-N 1 3 315.439 -0.923 20 0 DBADHO CN1C[C@H]2[C@@H](CCN2C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC001578523590 1020256554 /nfs/dbraw/zinc/25/65/54/1020256554.db2.gz OARGFEKGHCFMKE-OBJOEFQTSA-N 1 3 304.398 -0.021 20 0 DBADHO CN1CCN(CCNC(=O)NC2(CCO)C[NH2+]C2)CC1(C)C ZINC001578533786 1020262320 /nfs/dbraw/zinc/26/23/20/1020262320.db2.gz YJBLCCFHDSLZJC-UHFFFAOYSA-N 1 3 313.446 -0.964 20 0 DBADHO CNC(=O)c1ccc(CN[C@@H]2CC(=O)N(C3C[NH2+]C3)C2)cc1 ZINC001578562624 1020269888 /nfs/dbraw/zinc/26/98/88/1020269888.db2.gz URIZWFGWCOOQMI-CYBMUJFWSA-N 1 3 302.378 -0.292 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001578808813 1020306736 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CNC(=O)[C@H](C)[NH2+]CCOCCN(C)C(=O)[C@H]1CCCN1C ZINC001508172149 1020534322 /nfs/dbraw/zinc/53/43/22/1020534322.db2.gz CRWTUCFPDGUFJD-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO NS(=O)(=O)c1cccc(CNCCN2CCC([NH3+])CC2)c1 ZINC001580189574 1020664466 /nfs/dbraw/zinc/66/44/66/1020664466.db2.gz QCMHXBUUYDPSET-UHFFFAOYSA-N 1 3 312.439 -0.153 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)[C@H]2CN3CCN2CCC3)C[C@H]1C(F)(F)F ZINC001580269752 1020678553 /nfs/dbraw/zinc/67/85/53/1020678553.db2.gz UOGHJUDPRBKBES-IJLUTSLNSA-N 1 3 320.359 -0.028 20 0 DBADHO [NH3+]CCN(CCO)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001580308356 1020688064 /nfs/dbraw/zinc/68/80/64/1020688064.db2.gz XBRXZVWHBUDOTD-CYBMUJFWSA-N 1 3 300.403 -0.798 20 0 DBADHO O=C(N1CC[C@@H]2[C@H]1CCCN2CCO)[C@@]12C[NH2+]C[C@@H]1CCOC2 ZINC001580584773 1020757554 /nfs/dbraw/zinc/75/75/54/1020757554.db2.gz LRQKFWCQEUOFJJ-KLZNWCGWSA-N 1 3 323.437 -0.330 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCCCN1CCO ZINC001580667301 1020776751 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20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001566811352 1024381211 /nfs/dbraw/zinc/38/12/11/1024381211.db2.gz RLJHQVRWWSTPNX-FIQHERPVSA-N 1 3 310.398 -0.631 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001567071700 1024506429 /nfs/dbraw/zinc/50/64/29/1024506429.db2.gz WLGYWCOBHSJNGK-NEPJUHHUSA-N 1 3 312.414 -0.430 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H](C[NH2+]CCOCCO)C2)C1 ZINC001567141110 1024543723 /nfs/dbraw/zinc/54/37/23/1024543723.db2.gz VKTQRPNRBIHHNX-GJZGRUSLSA-N 1 3 313.442 -0.225 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N2CCC2)CC[N@@H+]1C ZINC001567548950 1024783593 /nfs/dbraw/zinc/78/35/93/1024783593.db2.gz CEVGPCSWORVVPK-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N(C)CCNCC(=O)N2CCC2)CC[N@H+]1C ZINC001567548950 1024783620 /nfs/dbraw/zinc/78/36/20/1024783620.db2.gz CEVGPCSWORVVPK-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCNCC(=O)NCC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001567590828 1024803203 /nfs/dbraw/zinc/80/32/03/1024803203.db2.gz MTFUAHNVNAEXNT-UHFFFAOYSA-N 1 3 308.426 -0.344 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001568205086 1024876102 /nfs/dbraw/zinc/87/61/02/1024876102.db2.gz IROWGEJKZXDLCK-VXGBXAGGSA-N 1 3 312.414 -0.525 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H](O)C[NH2+]CCO)N1CCCCC1 ZINC001568595272 1024963101 /nfs/dbraw/zinc/96/31/01/1024963101.db2.gz JLINGFYHHHDPOW-ZIAGYGMSSA-N 1 3 301.431 -0.444 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C)CC[NH2+]CC(=O)NC(N)=O ZINC001568713415 1024993706 /nfs/dbraw/zinc/99/37/06/1024993706.db2.gz FMJGCACPYLPQAS-JTQLQIEISA-N 1 3 301.391 -0.994 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001568791425 1025019869 /nfs/dbraw/zinc/01/98/69/1025019869.db2.gz IVMDPDXTTBLMIY-STQMWFEESA-N 1 3 324.425 -0.429 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001568791425 1025019883 /nfs/dbraw/zinc/01/98/83/1025019883.db2.gz IVMDPDXTTBLMIY-STQMWFEESA-N 1 3 324.425 -0.429 20 0 DBADHO C[C@H](C[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CN(C)C1CCC1 ZINC001568997252 1025107788 /nfs/dbraw/zinc/10/77/88/1025107788.db2.gz NQAVDQXMDSULMK-PWSUYJOCSA-N 1 3 310.398 -0.630 20 0 DBADHO CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@H]1CCCN1C ZINC001569189152 1025164444 /nfs/dbraw/zinc/16/44/44/1025164444.db2.gz VAACSUZVZGLKSB-NWDGAFQWSA-N 1 3 310.398 -0.676 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CC(=O)N2CCC2)C1 ZINC001569239393 1025182190 /nfs/dbraw/zinc/18/21/90/1025182190.db2.gz AYYSSUOZFVVCNZ-CQSZACIVSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001571390483 1025922630 /nfs/dbraw/zinc/92/26/30/1025922630.db2.gz HJUWPXAHIDSAPW-RYUDHWBXSA-N 1 3 324.425 -0.288 20 0 DBADHO CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CN2CCC1CC2 ZINC001574057109 1026696154 /nfs/dbraw/zinc/69/61/54/1026696154.db2.gz HAIAHXRHYCGHFU-RYUDHWBXSA-N 1 3 303.428 -0.794 20 0 DBADHO O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC(NC2CCOCC2)C1 ZINC001574435886 1026788338 /nfs/dbraw/zinc/78/83/38/1026788338.db2.gz WFKIRFCFRPDDBL-CYBMUJFWSA-N 1 3 303.428 -0.479 20 0 DBADHO CC[C@H]([NH3+])CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418725351 529445226 /nfs/dbraw/zinc/44/52/26/529445226.db2.gz KTCRZFSBZNWBCS-ZDUSSCGKSA-N 1 3 311.430 -0.327 20 0 DBADHO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@]1(O)CCN(C)C1 ZINC000358430661 138149566 /nfs/dbraw/zinc/14/95/66/138149566.db2.gz ZXYVNFIERMONQJ-GDBMZVCRSA-N 1 3 313.442 -0.038 20 0 DBADHO COCCN(CCN(C)C)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418285786 237319883 /nfs/dbraw/zinc/31/98/83/237319883.db2.gz GIGRDQFMNLTTPW-UHFFFAOYSA-N 1 3 315.462 -0.499 20 0 DBADHO O=C(NCCCN1CC[NH2+]CC1)N[C@H]1CNCCC1(F)F ZINC000418290637 237325272 /nfs/dbraw/zinc/32/52/72/237325272.db2.gz SDZGZKBIRQVCBA-NSHDSACASA-N 1 3 305.373 -0.422 20 0 DBADHO C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418703391 237378148 /nfs/dbraw/zinc/37/81/48/237378148.db2.gz QNHVCHKSBIGDRH-OLZOCXBDSA-N 1 3 311.430 -0.328 20 0 DBADHO CN(C)C(=O)CC[NH+]1CCC(NC(=O)[C@H]2C[C@H](F)CN2)CC1 ZINC000446372353 238309835 /nfs/dbraw/zinc/30/98/35/238309835.db2.gz ZECOIWJEVRIXFO-WCQYABFASA-N 1 3 314.405 -0.255 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000449734105 238353237 /nfs/dbraw/zinc/35/32/37/238353237.db2.gz MAFMTVJUJAWDRL-MELADBBJSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@]1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC[NH2+]C1 ZINC000167409309 238496396 /nfs/dbraw/zinc/49/63/96/238496396.db2.gz UNTKMCYIGUONPZ-INIZCTEOSA-N 1 3 308.426 -0.247 20 0 DBADHO CC(C)CC[NH+]1CCC(CNC(=O)C(=O)NC2CNC2)CC1 ZINC000557254978 283961773 /nfs/dbraw/zinc/96/17/73/283961773.db2.gz CDKJZMDCJYIATL-UHFFFAOYSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nnn(C)c2C1 ZINC000558536876 283974882 /nfs/dbraw/zinc/97/48/82/283974882.db2.gz GAJHBKLYDKHDQS-CYBMUJFWSA-N 1 3 322.457 -0.128 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nncn2C1 ZINC000559582516 283984508 /nfs/dbraw/zinc/98/45/08/283984508.db2.gz XZILUXRIMSNJBU-CYBMUJFWSA-N 1 3 308.430 -0.208 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@H]2COCC[C@H]21 ZINC000562151047 284005841 /nfs/dbraw/zinc/00/58/41/284005841.db2.gz OFNQODMGGDFRBD-RBSFLKMASA-N 1 3 313.442 -0.010 20 0 DBADHO CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563548178 284042822 /nfs/dbraw/zinc/04/28/22/284042822.db2.gz ABVFFAORJWKBFY-AVGNSLFASA-N 1 3 311.430 -0.330 20 0 DBADHO CC[C@H](C)[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563548178 284042826 /nfs/dbraw/zinc/04/28/26/284042826.db2.gz ABVFFAORJWKBFY-AVGNSLFASA-N 1 3 311.430 -0.330 20 0 DBADHO [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000563616098 284044991 /nfs/dbraw/zinc/04/49/91/284044991.db2.gz XUHRVNXXZHQSKW-RRFJBIMHSA-N 1 3 310.442 -0.364 20 0 DBADHO CS(=O)(=O)NCC[C@@H]1CCCCN1CCN1CC[NH2+]CC1 ZINC000563623527 284045340 /nfs/dbraw/zinc/04/53/40/284045340.db2.gz SKTMPPFDOPZTBL-AWEZNQCLSA-N 1 3 318.487 -0.315 20 0 DBADHO CC[C@@H](N)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000564980950 284076192 /nfs/dbraw/zinc/07/61/92/284076192.db2.gz BJNMESPVTBZPDB-LLVKDONJSA-N 1 3 300.384 -0.401 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3)CCN2C1=O ZINC000565253317 284090828 /nfs/dbraw/zinc/09/08/28/284090828.db2.gz ILQYZKICKCMBQL-ZIAGYGMSSA-N 1 3 317.393 -0.401 20 0 DBADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000565255869 284091524 /nfs/dbraw/zinc/09/15/24/284091524.db2.gz VTUHDGLZWJQDBV-YNEHKIRRSA-N 1 3 311.430 -0.330 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)c3ccccc3CC[NH3+])CCN2C1=O ZINC000565237027 284090005 /nfs/dbraw/zinc/09/00/05/284090005.db2.gz AVHGCOCJWMWCOK-TZMCWYRMSA-N 1 3 302.378 -0.428 20 0 DBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000565372668 284094001 /nfs/dbraw/zinc/09/40/01/284094001.db2.gz MUBRICUWQRJHEH-ZDUSSCGKSA-N 1 3 314.430 -0.997 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000643542808 374255192 /nfs/dbraw/zinc/25/51/92/374255192.db2.gz DMAMGLJNIDJEQZ-QWHCGFSZSA-N 1 3 314.430 -0.640 20 0 DBADHO CCCN(C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1)[C@@H]1CC[NH2+]C1 ZINC000643591317 374289455 /nfs/dbraw/zinc/28/94/55/374289455.db2.gz YNFZHFBLHCNBBJ-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000642698891 374291990 /nfs/dbraw/zinc/29/19/90/374291990.db2.gz ZICJXUIYWKNISJ-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CCC1 ZINC000642698676 374292171 /nfs/dbraw/zinc/29/21/71/374292171.db2.gz DGJATJZSJQJCGG-XQQFMLRXSA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)C[C@H]1C[NH3+] ZINC000643593542 374295596 /nfs/dbraw/zinc/29/55/96/374295596.db2.gz AWZYPAPHPGZMEA-XJFOESAGSA-N 1 3 308.426 -0.408 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643594525 374298086 /nfs/dbraw/zinc/29/80/86/374298086.db2.gz MWYPAIHKAAJJEG-IHRRRGAJSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643594524 374298594 /nfs/dbraw/zinc/29/85/94/374298594.db2.gz MWYPAIHKAAJJEG-HZSPNIEDSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643594526 374298940 /nfs/dbraw/zinc/29/89/40/374298940.db2.gz MWYPAIHKAAJJEG-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000628028066 374364482 /nfs/dbraw/zinc/36/44/82/374364482.db2.gz BVWSBSOVXPPPBR-ZDUSSCGKSA-N 1 3 322.413 -0.406 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000628050470 374379672 /nfs/dbraw/zinc/37/96/72/374379672.db2.gz FDHKWGYEPUENGQ-XQQFMLRXSA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@@H]1CC[C@H](C(N)=O)O1 ZINC000628050470 374379674 /nfs/dbraw/zinc/37/96/74/374379674.db2.gz FDHKWGYEPUENGQ-XQQFMLRXSA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@H]([NH3+])CNC(=O)C(=O)NCC1(N(C)C)Cc2ccccc2C1 ZINC000642725979 374437566 /nfs/dbraw/zinc/43/75/66/374437566.db2.gz RQQZIVNCGOBASE-LBPRGKRZSA-N 1 3 318.421 -0.335 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2CSCCN2)C1 ZINC000237936832 374445495 /nfs/dbraw/zinc/44/54/95/374445495.db2.gz UDIZIWUBWIKGMD-NWDGAFQWSA-N 1 3 314.455 -0.605 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CNC[C@@H]2CCCO2)C1 ZINC000237935670 374446276 /nfs/dbraw/zinc/44/62/76/374446276.db2.gz OIZBOQUGBRRXNN-STQMWFEESA-N 1 3 312.414 -0.932 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000642756056 374495738 /nfs/dbraw/zinc/49/57/38/374495738.db2.gz WEYRNGRPPSGQNY-AAEUAGOBSA-N 1 3 312.414 -0.839 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C1CC1 ZINC000642756058 374496347 /nfs/dbraw/zinc/49/63/47/374496347.db2.gz WEYRNGRPPSGQNY-WCQYABFASA-N 1 3 312.414 -0.839 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642744593 374476707 /nfs/dbraw/zinc/47/67/07/374476707.db2.gz TYMVMGORSBKYCI-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO COCC[NH+]1CCC(NC(=O)c2[nH]nc3c2CNCC3)CC1 ZINC000188737049 374512522 /nfs/dbraw/zinc/51/25/22/374512522.db2.gz DJQRVZRWBNXORZ-UHFFFAOYSA-N 1 3 307.398 -0.104 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N(C)C1CC1 ZINC000642773276 374513234 /nfs/dbraw/zinc/51/32/34/374513234.db2.gz IAAZVVYBCKYPLA-MBNYWOFBSA-N 1 3 308.426 -0.204 20 0 DBADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785840 374571908 /nfs/dbraw/zinc/57/19/08/374571908.db2.gz MPDSVWBRCZFYKN-UONOGXRCSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCO1 ZINC000642785877 374575171 /nfs/dbraw/zinc/57/51/71/374575171.db2.gz ORMKNBIAJODSRO-IACUBPJLSA-N 1 3 324.425 -0.839 20 0 DBADHO Nc1nc(N)nc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000624392459 374636814 /nfs/dbraw/zinc/63/68/14/374636814.db2.gz RNVXMEFHRLSJKA-LBPRGKRZSA-N 1 3 315.381 -0.703 20 0 DBADHO Nc1nc(N)nc(NCc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)n1 ZINC000624392459 374636823 /nfs/dbraw/zinc/63/68/23/374636823.db2.gz RNVXMEFHRLSJKA-LBPRGKRZSA-N 1 3 315.381 -0.703 20 0 DBADHO CC1CCN(C[C@H](O)CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000584229596 374646371 /nfs/dbraw/zinc/64/63/71/374646371.db2.gz DKEPUEAOMOUTPA-CYBMUJFWSA-N 1 3 324.429 -0.551 20 0 DBADHO CCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642916949 375017227 /nfs/dbraw/zinc/01/72/27/375017227.db2.gz DQLMKOIFQAMSPA-UHFFFAOYSA-N 1 3 319.409 -0.154 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cn1 ZINC000262671765 375029505 /nfs/dbraw/zinc/02/95/05/375029505.db2.gz OTXSSZVSRYUANU-RYUDHWBXSA-N 1 3 322.413 -0.373 20 0 DBADHO CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642926771 375029702 /nfs/dbraw/zinc/02/97/02/375029702.db2.gz NCUSGDNVICRPOF-HNNXBMFYSA-N 1 3 316.405 -0.193 20 0 DBADHO C[C@]12C[NH+](C[C@H]3CCCN(C(=O)CN)C3)C[C@]1(C)C(=O)NC2=O ZINC000634998485 375081230 /nfs/dbraw/zinc/08/12/30/375081230.db2.gz GGXWNWKLIRMMFU-HFBAOOFYSA-N 1 3 322.409 -0.832 20 0 DBADHO CN(C)CC[N@H+](C)CCCNS(=O)(=O)CC1(N(C)C)CC1 ZINC000632340299 375212022 /nfs/dbraw/zinc/21/20/22/375212022.db2.gz BNEBVMYBAPCSBK-UHFFFAOYSA-N 1 3 320.503 -0.117 20 0 DBADHO CN(C)CC[N@@H+](C)CCCNS(=O)(=O)CC1(N(C)C)CC1 ZINC000632340299 375212026 /nfs/dbraw/zinc/21/20/26/375212026.db2.gz BNEBVMYBAPCSBK-UHFFFAOYSA-N 1 3 320.503 -0.117 20 0 DBADHO CN(CCCNS(=O)(=O)CC1(N(C)C)CC1)CC[NH+](C)C ZINC000632340299 375212031 /nfs/dbraw/zinc/21/20/31/375212031.db2.gz BNEBVMYBAPCSBK-UHFFFAOYSA-N 1 3 320.503 -0.117 20 0 DBADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000635975899 375292431 /nfs/dbraw/zinc/29/24/31/375292431.db2.gz DCPRQUOLEGLKCO-QLFBSQMISA-N 1 3 311.426 -0.187 20 0 DBADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000635975899 375292435 /nfs/dbraw/zinc/29/24/35/375292435.db2.gz DCPRQUOLEGLKCO-QLFBSQMISA-N 1 3 311.426 -0.187 20 0 DBADHO COCCN(C)CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000570446671 375363084 /nfs/dbraw/zinc/36/30/84/375363084.db2.gz ADKMJYVTNQCQLU-CYBMUJFWSA-N 1 3 324.429 -0.272 20 0 DBADHO N[C@@H]1C[C@H]2CN(C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CCN2C1=O ZINC000570529157 375369482 /nfs/dbraw/zinc/36/94/82/375369482.db2.gz KQZXMZNZZKYBGO-JONQDZQNSA-N 1 3 318.421 -0.839 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642985365 375473255 /nfs/dbraw/zinc/47/32/55/375473255.db2.gz FAJHMWXEXJZMFE-YIYPIFLZSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642985361 375473337 /nfs/dbraw/zinc/47/33/37/375473337.db2.gz FAJHMWXEXJZMFE-MQYQWHSLSA-N 1 3 308.426 -0.204 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC[C@H]21 ZINC000642960669 375466424 /nfs/dbraw/zinc/46/64/24/375466424.db2.gz WXORYGJFACGSHQ-HZSPNIEDSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N[C@@H](CN)C3CC3)CC[C@H]21 ZINC000642960669 375466429 /nfs/dbraw/zinc/46/64/29/375466429.db2.gz WXORYGJFACGSHQ-HZSPNIEDSA-N 1 3 308.426 -0.217 20 0 DBADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)C2)CC1 ZINC000592965167 375841811 /nfs/dbraw/zinc/84/18/11/375841811.db2.gz RYJVZXRBZSYPNP-HOTGVXAUSA-N 1 3 324.469 -0.151 20 0 DBADHO C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000531297138 375910737 /nfs/dbraw/zinc/91/07/37/375910737.db2.gz UPMVVWGMUNFCDK-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@H]1CC[N@@H+](CCNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000531297138 375910746 /nfs/dbraw/zinc/91/07/46/375910746.db2.gz UPMVVWGMUNFCDK-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCN2C1=O ZINC000594879643 375965914 /nfs/dbraw/zinc/96/59/14/375965914.db2.gz DRWFFYYWLIBTMK-IGQOVBAYSA-N 1 3 306.410 -0.608 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)CCN2C1=O ZINC000594879671 375966130 /nfs/dbraw/zinc/96/61/30/375966130.db2.gz GMGAKAOGFRKBKR-KXUCPTDWSA-N 1 3 302.325 -0.998 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H](C[NH3+])c3ccccc3)CCN2C1=O ZINC000594873679 375967835 /nfs/dbraw/zinc/96/78/35/375967835.db2.gz KPPWXXPRQZOQPI-HZSPNIEDSA-N 1 3 302.378 -0.501 20 0 DBADHO CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000595269619 375986623 /nfs/dbraw/zinc/98/66/23/375986623.db2.gz VFMGBEQAILPQNH-RDBSUJKOSA-N 1 3 323.441 -0.186 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000595267437 375987493 /nfs/dbraw/zinc/98/74/93/375987493.db2.gz KJRIUBBMQNWLNE-ZDEQEGDKSA-N 1 3 309.414 -0.672 20 0 DBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000595270061 375989727 /nfs/dbraw/zinc/98/97/27/375989727.db2.gz BOKQMTXGAQSGOT-YVECIDJPSA-N 1 3 309.414 -0.720 20 0 DBADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@]3(O)CCC[NH2+]C3)C2)CC1 ZINC000595947502 376058570 /nfs/dbraw/zinc/05/85/70/376058570.db2.gz MGYBMSRYSJAVNP-RDJZCZTQSA-N 1 3 324.469 -0.272 20 0 DBADHO COC(=O)CNC(=O)C[NH2+]C1CCN(c2ccncc2)CC1 ZINC000602749902 376472123 /nfs/dbraw/zinc/47/21/23/376472123.db2.gz LNYNBZHIJYTCSJ-UHFFFAOYSA-N 1 3 306.366 -0.071 20 0 DBADHO COCCN1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636814629 376559779 /nfs/dbraw/zinc/55/97/79/376559779.db2.gz GKEKKEIFQVZVLJ-QWHCGFSZSA-N 1 3 300.403 -0.927 20 0 DBADHO COCC[N@@H+]1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636814629 376559791 /nfs/dbraw/zinc/55/97/91/376559791.db2.gz GKEKKEIFQVZVLJ-QWHCGFSZSA-N 1 3 300.403 -0.927 20 0 DBADHO COCC[N@H+]1CC[C@H](NC(=O)NCCN2CC[C@@H](O)C2)C1 ZINC000636814629 376559802 /nfs/dbraw/zinc/55/98/02/376559802.db2.gz GKEKKEIFQVZVLJ-QWHCGFSZSA-N 1 3 300.403 -0.927 20 0 DBADHO CCN1CCO[C@H](C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000365694659 376811435 /nfs/dbraw/zinc/81/14/35/376811435.db2.gz DQZSLSUAWCRWLR-HOCLYGCPSA-N 1 3 324.469 -0.008 20 0 DBADHO CCN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000365694659 376811440 /nfs/dbraw/zinc/81/14/40/376811440.db2.gz DQZSLSUAWCRWLR-HOCLYGCPSA-N 1 3 324.469 -0.008 20 0 DBADHO CCN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000365694659 376811443 /nfs/dbraw/zinc/81/14/43/376811443.db2.gz DQZSLSUAWCRWLR-HOCLYGCPSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000262421586 377275875 /nfs/dbraw/zinc/27/58/75/377275875.db2.gz QOIHKXDXTUPFJG-DZGCQCFKSA-N 1 3 307.394 -0.034 20 0 DBADHO C[C@@]1(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)CNCCO1 ZINC000638097857 377837853 /nfs/dbraw/zinc/83/78/53/377837853.db2.gz IBCQWKZFZUFZND-INIZCTEOSA-N 1 3 324.425 -0.869 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638076080 377796431 /nfs/dbraw/zinc/79/64/31/377796431.db2.gz IOWDVYXMEJWFPZ-GASCZTMLSA-N 1 3 312.458 -0.103 20 0 DBADHO COC[C@@]1(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638240542 377864600 /nfs/dbraw/zinc/86/46/00/377864600.db2.gz JZFZSILKSKUHMG-GDBMZVCRSA-N 1 3 310.442 -0.349 20 0 DBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)CCCN2CCN(C)CC2)C1 ZINC000638279707 377868632 /nfs/dbraw/zinc/86/86/32/377868632.db2.gz VJIOINYFSONYHS-ZBFHGGJFSA-N 1 3 312.458 -0.151 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000638354386 377881681 /nfs/dbraw/zinc/88/16/81/377881681.db2.gz LEMRDHJFZBEFHV-HNNXBMFYSA-N 1 3 320.437 -0.242 20 0 DBADHO [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CN2CCNCC2)C1 ZINC000638392644 377890866 /nfs/dbraw/zinc/89/08/66/377890866.db2.gz FWXCNBPDTODYBI-QLFBSQMISA-N 1 3 310.442 -0.221 20 0 DBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@]3(C)CNCCO3)C2)CC1 ZINC000638116562 377843527 /nfs/dbraw/zinc/84/35/27/377843527.db2.gz JEHIOINSITXZDX-XJKSGUPXSA-N 1 3 310.442 -0.350 20 0 DBADHO CCN1CCN(C[C@@H](C)CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137942 377850286 /nfs/dbraw/zinc/85/02/86/377850286.db2.gz RCANMVZIIOCVCR-HNNXBMFYSA-N 1 3 311.474 -0.719 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1=O ZINC000638505841 377957437 /nfs/dbraw/zinc/95/74/37/377957437.db2.gz OUQQNUQUURWDSD-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634353 378037612 /nfs/dbraw/zinc/03/76/12/378037612.db2.gz PLKPPDWHDHEIPL-LBPRGKRZSA-N 1 3 312.414 -0.979 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000342364473 378094172 /nfs/dbraw/zinc/09/41/72/378094172.db2.gz TXOJRDGMQIUXLF-RYUDHWBXSA-N 1 3 323.445 -0.744 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000342364473 378094179 /nfs/dbraw/zinc/09/41/79/378094179.db2.gz TXOJRDGMQIUXLF-RYUDHWBXSA-N 1 3 323.445 -0.744 20 0 DBADHO CN(C)CCN(C)C(=O)CSCC(=O)N(C)CC[NH+](C)C ZINC000342562202 378102283 /nfs/dbraw/zinc/10/22/83/378102283.db2.gz GABCXUNAVVFAHB-UHFFFAOYSA-N 1 3 318.487 -0.240 20 0 DBADHO CCN1CCC[C@H]1CN1C[C@@H](C(=O)N[C@@H]2CC[NH2+]C2)CC1=O ZINC000638790529 378103495 /nfs/dbraw/zinc/10/34/95/378103495.db2.gz YDSDXBZIPJLGDR-MJBXVCDLSA-N 1 3 308.426 -0.203 20 0 DBADHO CN1CCC(n2cc(NC(=O)CN3CC[NH2+]CC3)cn2)CC1 ZINC000638978033 378272252 /nfs/dbraw/zinc/27/22/52/378272252.db2.gz RTGVPRYCJTUSMB-UHFFFAOYSA-N 1 3 306.414 -0.007 20 0 DBADHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304452 378329417 /nfs/dbraw/zinc/32/94/17/378329417.db2.gz RHLZTHOCDYBJCI-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343304452 378329424 /nfs/dbraw/zinc/32/94/24/378329424.db2.gz RHLZTHOCDYBJCI-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO COCCC[NH+]1CCC(NC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000367045496 378400166 /nfs/dbraw/zinc/40/01/66/378400166.db2.gz MDOVOOFPOPHVQS-INIZCTEOSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CSCC1=O ZINC000617504203 378367448 /nfs/dbraw/zinc/36/74/48/378367448.db2.gz KTHBBESOMBOSHA-LBPRGKRZSA-N 1 3 316.471 -0.093 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CSCC1=O ZINC000617504203 378367453 /nfs/dbraw/zinc/36/74/53/378367453.db2.gz KTHBBESOMBOSHA-LBPRGKRZSA-N 1 3 316.471 -0.093 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC000617505467 378368081 /nfs/dbraw/zinc/36/80/81/378368081.db2.gz DFIFTXYHOJTZDU-UONOGXRCSA-N 1 3 300.447 -0.295 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC000617505467 378368086 /nfs/dbraw/zinc/36/80/86/378368086.db2.gz DFIFTXYHOJTZDU-UONOGXRCSA-N 1 3 300.447 -0.295 20 0 DBADHO CC(C)(O)C[NH+]1CCC(NC[C@@]2(OCCO)CCOC2)CC1 ZINC000639309281 378420826 /nfs/dbraw/zinc/42/08/26/378420826.db2.gz SINWKGFEVHACSB-INIZCTEOSA-N 1 3 316.442 -0.021 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000167408136 378499756 /nfs/dbraw/zinc/49/97/56/378499756.db2.gz KRSNLBODRCTOPU-UHFFFAOYSA-N 1 3 308.426 -0.247 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H](N2CCCCC2)C1 ZINC000351546377 378501590 /nfs/dbraw/zinc/50/15/90/378501590.db2.gz YZQOGSXNVJZNJI-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000333710951 378563827 /nfs/dbraw/zinc/56/38/27/378563827.db2.gz SGTVZCPHSCLYAI-QWHCGFSZSA-N 1 3 309.414 -0.704 20 0 DBADHO NC(C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(F)(F)F ZINC000353453803 378663607 /nfs/dbraw/zinc/66/36/07/378663607.db2.gz SBKINIWKVCDDHY-RQJHMYQMSA-N 1 3 322.253 -0.172 20 0 DBADHO CO[C@H](C[NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353505293 378668866 /nfs/dbraw/zinc/66/88/66/378668866.db2.gz CPTLOWGTTMFCRC-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)NCCOCC[NH+](C)C)CCC1 ZINC000354691742 378758096 /nfs/dbraw/zinc/75/80/96/378758096.db2.gz WDDYQPGPYVSKEM-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCN(C2CC2)C1 ZINC000354698561 378759651 /nfs/dbraw/zinc/75/96/51/378759651.db2.gz AREKTHUQUYGJSC-ZIAGYGMSSA-N 1 3 308.426 -0.060 20 0 DBADHO COC[C@@H](C)NC(=O)NC(=O)CN1CCC2(C1)CC[NH2+]CC2 ZINC000358505575 379044868 /nfs/dbraw/zinc/04/48/68/379044868.db2.gz KFZXOHNZTNJCPX-GFCCVEGCSA-N 1 3 312.414 -0.077 20 0 DBADHO NC(=O)[C@H]1CCCN(C(=O)CN2CCC3(C2)CC[NH2+]CC3)C1 ZINC000358514854 379045836 /nfs/dbraw/zinc/04/58/36/379045836.db2.gz XZJBEUSKZCKMJQ-ZDUSSCGKSA-N 1 3 308.426 -0.214 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)C)CC1=O ZINC000362506708 379443549 /nfs/dbraw/zinc/44/35/49/379443549.db2.gz NAEFGJPOWDXIIZ-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO COCCCN(C)CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000582358494 379640232 /nfs/dbraw/zinc/64/02/32/379640232.db2.gz ZRHCPVVBUPDTSW-ZDUSSCGKSA-N 1 3 324.429 -0.272 20 0 DBADHO COCCCN(C)CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000582358493 379640425 /nfs/dbraw/zinc/64/04/25/379640425.db2.gz ZRHCPVVBUPDTSW-CYBMUJFWSA-N 1 3 324.429 -0.272 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582371636 379641956 /nfs/dbraw/zinc/64/19/56/379641956.db2.gz GWPAFXHQJLOZGS-MJBXVCDLSA-N 1 3 323.441 -0.186 20 0 DBADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000582371636 379641965 /nfs/dbraw/zinc/64/19/65/379641965.db2.gz GWPAFXHQJLOZGS-MJBXVCDLSA-N 1 3 323.441 -0.186 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582371634 379643533 /nfs/dbraw/zinc/64/35/33/379643533.db2.gz GWPAFXHQJLOZGS-IHRRRGAJSA-N 1 3 323.441 -0.186 20 0 DBADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000582371634 379643539 /nfs/dbraw/zinc/64/35/39/379643539.db2.gz GWPAFXHQJLOZGS-IHRRRGAJSA-N 1 3 323.441 -0.186 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643453597 379644991 /nfs/dbraw/zinc/64/49/91/379644991.db2.gz KHBRJEGDJYPUBY-ZIAGYGMSSA-N 1 3 318.487 -0.329 20 0 DBADHO CS(=O)(=O)N1CCN(CC[NH2+][C@@H]2CCCC[C@@H]2CN)CC1 ZINC000643453597 379645004 /nfs/dbraw/zinc/64/50/04/379645004.db2.gz KHBRJEGDJYPUBY-ZIAGYGMSSA-N 1 3 318.487 -0.329 20 0 DBADHO C[C@H](NC(=O)C(=O)NC1CNC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582410502 379649937 /nfs/dbraw/zinc/64/99/37/379649937.db2.gz PIQRUIJGCNMTHB-RYUDHWBXSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@H](NC(=O)C(=O)NC1CNC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582410502 379649945 /nfs/dbraw/zinc/64/99/45/379649945.db2.gz PIQRUIJGCNMTHB-RYUDHWBXSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H](NC(=O)C(=O)NC1CNC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582410500 379650091 /nfs/dbraw/zinc/65/00/91/379650091.db2.gz PIQRUIJGCNMTHB-NEPJUHHUSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H](NC(=O)C(=O)NC1CNC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582410500 379650101 /nfs/dbraw/zinc/65/01/01/379650101.db2.gz PIQRUIJGCNMTHB-NEPJUHHUSA-N 1 3 308.426 -0.156 20 0 DBADHO CCCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000178909106 379737008 /nfs/dbraw/zinc/73/70/08/379737008.db2.gz GHQGYXOJFKZNIC-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CCC[NH2+]C2)cn1 ZINC000178812222 379738674 /nfs/dbraw/zinc/73/86/74/379738674.db2.gz FDCJWCSECNHXCD-GFCCVEGCSA-N 1 3 322.413 -0.501 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[NH2+]CC2CC2)cn1 ZINC000178812286 379739774 /nfs/dbraw/zinc/73/97/74/379739774.db2.gz VOOHPEFQVXLKEV-UHFFFAOYSA-N 1 3 322.413 -0.501 20 0 DBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000584778735 379843572 /nfs/dbraw/zinc/84/35/72/379843572.db2.gz WSYIANUWAVZANI-DGCLKSJQSA-N 1 3 322.413 -0.503 20 0 DBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418728699 379882549 /nfs/dbraw/zinc/88/25/49/379882549.db2.gz QNCGAFOTKQFHEE-RWMBFGLXSA-N 1 3 311.430 -0.330 20 0 DBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N(CC[NH3+])CCO ZINC000419773805 379967363 /nfs/dbraw/zinc/96/73/63/379967363.db2.gz JMZORCCJBBKSLV-GFCCVEGCSA-N 1 3 314.430 -0.997 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C[C@@H]1C[NH3+] ZINC000419775846 379967392 /nfs/dbraw/zinc/96/73/92/379967392.db2.gz LIOJDMUKCIDLDY-OLZOCXBDSA-N 1 3 314.430 -0.876 20 0 DBADHO CCCN(C(=O)C(=O)NCCOCCN(C)C)[C@@H]1CC[NH2+]C1 ZINC000419785064 379968521 /nfs/dbraw/zinc/96/85/21/379968521.db2.gz YGGVCEZHUBZNCU-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)NCCOCCN(C)C)C[C@H]1C[NH3+] ZINC000419775841 379974041 /nfs/dbraw/zinc/97/40/41/379974041.db2.gz LIOJDMUKCIDLDY-CHWSQXEVSA-N 1 3 314.430 -0.876 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000419863886 379983626 /nfs/dbraw/zinc/98/36/26/379983626.db2.gz CUIWUTWTKXVWAO-UHFFFAOYSA-N 1 3 321.381 -0.926 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CCSC1 ZINC000419582167 379943674 /nfs/dbraw/zinc/94/36/74/379943674.db2.gz KABXGQGFECUURI-RISCZKNCSA-N 1 3 314.455 -0.510 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(C3CCCC3)C2)CCO1 ZINC000419694253 379953144 /nfs/dbraw/zinc/95/31/44/379953144.db2.gz JZSKPZSXNKPRLH-TZMCWYRMSA-N 1 3 324.425 -0.694 20 0 DBADHO O=C(N[C@H]1CCN(C2CCCC2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419698406 379956258 /nfs/dbraw/zinc/95/62/58/379956258.db2.gz SIJSJKLKOCMFDC-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO CC(C)CN1CCCC[C@@H]1CNC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419702035 379956345 /nfs/dbraw/zinc/95/63/45/379956345.db2.gz USPYCXFKEUJVOJ-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)N(CCN(C)C)Cc1ccsc1 ZINC000419869136 379984554 /nfs/dbraw/zinc/98/45/54/379984554.db2.gz IONZJVHHTKXPMF-UHFFFAOYSA-N 1 3 312.439 -0.026 20 0 DBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419866419 379984602 /nfs/dbraw/zinc/98/46/02/379984602.db2.gz BCCDTJGVCKCXMF-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCCC[C@@H](N2CCCC2)C1 ZINC000419884086 379989116 /nfs/dbraw/zinc/98/91/16/379989116.db2.gz NPMQKOIQKSCFGX-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419894278 379990576 /nfs/dbraw/zinc/99/05/76/379990576.db2.gz QVKSUGYVDTYPSW-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000419946180 380002143 /nfs/dbraw/zinc/00/21/43/380002143.db2.gz DOZLEQRHAQLNPI-STQMWFEESA-N 1 3 314.430 -0.733 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000420008388 380006589 /nfs/dbraw/zinc/00/65/89/380006589.db2.gz UIPSLKFGQKHSAL-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](C[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000419993247 380013297 /nfs/dbraw/zinc/01/32/97/380013297.db2.gz DTBQTYQAYRGSTK-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1 ZINC000420025697 380019907 /nfs/dbraw/zinc/01/99/07/380019907.db2.gz BLOJFCFLTZKBCC-KBPBESRZSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000420028165 380021044 /nfs/dbraw/zinc/02/10/44/380021044.db2.gz DMPKDBYMZSIPPC-QWRGUYRKSA-N 1 3 300.403 -0.764 20 0 DBADHO Cc1ccc(CN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[NH3+])o1 ZINC000420033680 380022722 /nfs/dbraw/zinc/02/27/22/380022722.db2.gz WQYBETSDEIOXEG-LLVKDONJSA-N 1 3 310.398 -0.058 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420290525 380050683 /nfs/dbraw/zinc/05/06/83/380050683.db2.gz UPIUXQHZGNRGJZ-NWDGAFQWSA-N 1 3 323.445 -0.709 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000420186898 380041730 /nfs/dbraw/zinc/04/17/30/380041730.db2.gz CUTJBIBHVGHDIH-GFCCVEGCSA-N 1 3 323.445 -0.837 20 0 DBADHO NC1(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CCOCC1 ZINC000261913528 380159105 /nfs/dbraw/zinc/15/91/05/380159105.db2.gz UAKXENQWPXQXIH-JTQLQIEISA-N 1 3 324.347 -0.553 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@@]1(C)C[NH3+] ZINC000423238647 380317439 /nfs/dbraw/zinc/31/74/39/380317439.db2.gz RKWWENSDQVRUST-DVOMOZLQSA-N 1 3 310.442 -0.018 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000423262159 380319324 /nfs/dbraw/zinc/31/93/24/380319324.db2.gz LVOXNZHOWHDWPM-UHFFFAOYSA-N 1 3 316.446 -0.534 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423268845 380319633 /nfs/dbraw/zinc/31/96/33/380319633.db2.gz VECKYPCCXVBZGJ-QWHCGFSZSA-N 1 3 314.430 -0.781 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000423370082 380328825 /nfs/dbraw/zinc/32/88/25/380328825.db2.gz GQHBFCNKMVGDPN-CJNGLKHVSA-N 1 3 308.426 -0.249 20 0 DBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000423063314 380308308 /nfs/dbraw/zinc/30/83/08/380308308.db2.gz ORCIMKRGOAVABL-CYBMUJFWSA-N 1 3 314.430 -0.781 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000423213031 380316297 /nfs/dbraw/zinc/31/62/97/380316297.db2.gz MQYJEWFSUWBTBR-CHWSQXEVSA-N 1 3 312.414 -0.885 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000643489762 380360731 /nfs/dbraw/zinc/36/07/31/380360731.db2.gz ILNJOHHSYHMMDA-ZQDZILKHSA-N 1 3 322.453 -0.018 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000643500367 380490965 /nfs/dbraw/zinc/49/09/65/380490965.db2.gz KQJWODDHTFABQM-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C1 ZINC000643505793 380503292 /nfs/dbraw/zinc/50/32/92/380503292.db2.gz PGMHRXGAWPPRDO-MJBXVCDLSA-N 1 3 308.426 -0.251 20 0 DBADHO O=C(C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CC[C@@H](N2CCCCC2)C1 ZINC000643510658 380514347 /nfs/dbraw/zinc/51/43/47/380514347.db2.gz LFNLPPDKUPBEFC-QLFBSQMISA-N 1 3 320.437 -0.249 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCCN(C(C)C)CC1 ZINC000627462395 380480772 /nfs/dbraw/zinc/48/07/72/380480772.db2.gz SLIFXCREOOWRMX-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO [NH3+][C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@H]4C3)C[C@H]12 ZINC000643513431 380531714 /nfs/dbraw/zinc/53/17/14/380531714.db2.gz SEFNPYIUEZQWFP-ZOBORPQBSA-N 1 3 306.410 -0.511 20 0 DBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)C[C@@H]21 ZINC000643513452 380532152 /nfs/dbraw/zinc/53/21/52/380532152.db2.gz WQCKLDZBRCVBIA-APIJFGDWSA-N 1 3 320.437 -0.121 20 0 DBADHO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN4CCC[C@@H]4C3)C[C@H]21 ZINC000643513454 380532670 /nfs/dbraw/zinc/53/26/70/380532670.db2.gz WQCKLDZBRCVBIA-KBUPBQIOSA-N 1 3 320.437 -0.121 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC1=O ZINC000435240874 380586097 /nfs/dbraw/zinc/58/60/97/380586097.db2.gz QXOFFUUFCZSZHA-JSGCOSHPSA-N 1 3 308.426 -0.251 20 0 DBADHO O=S1(=O)CCCN1CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000629560462 380687205 /nfs/dbraw/zinc/68/72/05/380687205.db2.gz ZVDQPUKFGIKLJC-CYBMUJFWSA-N 1 3 305.444 -0.542 20 0 DBADHO O=S1(=O)CCCN1CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000629560463 380687873 /nfs/dbraw/zinc/68/78/73/380687873.db2.gz ZVDQPUKFGIKLJC-ZDUSSCGKSA-N 1 3 305.444 -0.542 20 0 DBADHO COCCN(C)CCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458227688 380758817 /nfs/dbraw/zinc/75/88/17/380758817.db2.gz CUIYKFCIKGQCDQ-AWEZNQCLSA-N 1 3 316.446 -0.289 20 0 DBADHO COCCN(C)CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458227688 380758821 /nfs/dbraw/zinc/75/88/21/380758821.db2.gz CUIYKFCIKGQCDQ-AWEZNQCLSA-N 1 3 316.446 -0.289 20 0 DBADHO COCCN(C)CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458227688 380758824 /nfs/dbraw/zinc/75/88/24/380758824.db2.gz CUIYKFCIKGQCDQ-AWEZNQCLSA-N 1 3 316.446 -0.289 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000629801707 380726265 /nfs/dbraw/zinc/72/62/65/380726265.db2.gz OHIACNHYXHCANW-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000629801707 380726268 /nfs/dbraw/zinc/72/62/68/380726268.db2.gz OHIACNHYXHCANW-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629804286 380728281 /nfs/dbraw/zinc/72/82/81/380728281.db2.gz WZVRIXFFJAIWQH-CALCHBBNSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)C[C@H](NC(=O)NC[C@H](C)[NH3+])C(=O)NCCN(C)C ZINC000641494452 380929889 /nfs/dbraw/zinc/92/98/89/380929889.db2.gz WIKIWKXHVFDIBD-RYUDHWBXSA-N 1 3 301.435 -0.275 20 0 DBADHO [NH3+]C/C=C/CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000641861989 380975571 /nfs/dbraw/zinc/97/55/71/380975571.db2.gz HIQXRXPBGCUKGC-ONEGZZNKSA-N 1 3 311.430 -0.207 20 0 DBADHO CN(CCN1CC[NH2+]CC1)S(=O)(=O)CCCN1CCCC1 ZINC000631903660 381001278 /nfs/dbraw/zinc/00/12/78/381001278.db2.gz PZUMINOJCACPCB-UHFFFAOYSA-N 1 3 318.487 -0.361 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626964677 381040666 /nfs/dbraw/zinc/04/06/66/381040666.db2.gz WCXPAHQNNUXYKZ-CHWSQXEVSA-N 1 3 311.430 -0.410 20 0 DBADHO COc1cccc([C@H](CNc2nc(N)nc(N)n2)N(C)C)c1 ZINC000623799985 381143013 /nfs/dbraw/zinc/14/30/13/381143013.db2.gz WPQCVOINROYSDX-NSHDSACASA-N 1 3 303.370 -0.158 20 0 DBADHO COc1cccc([C@H](CNc2nc(N)nc(N)n2)[NH+](C)C)c1 ZINC000623799985 381143016 /nfs/dbraw/zinc/14/30/16/381143016.db2.gz WPQCVOINROYSDX-NSHDSACASA-N 1 3 303.370 -0.158 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[NH2+]1 ZINC000627209744 381147569 /nfs/dbraw/zinc/14/75/69/381147569.db2.gz IMSNBMDFOWNHID-CHWSQXEVSA-N 1 3 313.446 -0.212 20 0 DBADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)n1 ZINC000127866247 381345340 /nfs/dbraw/zinc/34/53/40/381345340.db2.gz LHBNBGYWQMUWDW-UHFFFAOYSA-N 1 3 324.429 -0.113 20 0 DBADHO CN(C)CCn1cc(C(=O)N2CCN(CC[NH+](C)C)CC2)cn1 ZINC000630572634 381445198 /nfs/dbraw/zinc/44/51/98/381445198.db2.gz LPMNGYKJNKPRJN-UHFFFAOYSA-N 1 3 322.457 -0.236 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000245473128 381563857 /nfs/dbraw/zinc/56/38/57/381563857.db2.gz ZYFWTNOXSZTOMK-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000245473128 381563864 /nfs/dbraw/zinc/56/38/64/381563864.db2.gz ZYFWTNOXSZTOMK-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)CN2CCOCC2)CC1 ZINC000566233192 381644954 /nfs/dbraw/zinc/64/49/54/381644954.db2.gz ZCKNFONOYMYNQO-JKSUJKDBSA-N 1 3 315.458 -0.638 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000566237992 381646290 /nfs/dbraw/zinc/64/62/90/381646290.db2.gz YOWAMLNIOJHKMG-NEPJUHHUSA-N 1 3 302.419 -0.735 20 0 DBADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566984877 381678322 /nfs/dbraw/zinc/67/83/22/381678322.db2.gz WCPZRRLQHOZRLX-XQQFMLRXSA-N 1 3 311.430 -0.332 20 0 DBADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566984877 381678325 /nfs/dbraw/zinc/67/83/25/381678325.db2.gz WCPZRRLQHOZRLX-XQQFMLRXSA-N 1 3 311.430 -0.332 20 0 DBADHO C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)NC2CNC2)C1 ZINC000567573311 381702987 /nfs/dbraw/zinc/70/29/87/381702987.db2.gz VHIQKTXYLSCNRO-TXEJJXNPSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C(=O)NC2CNC2)C1 ZINC000567573311 381702994 /nfs/dbraw/zinc/70/29/94/381702994.db2.gz VHIQKTXYLSCNRO-TXEJJXNPSA-N 1 3 310.442 -0.053 20 0 DBADHO O=C(NC1CNC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000568374114 381755860 /nfs/dbraw/zinc/75/58/60/381755860.db2.gz QEFBWUZXYLIEMX-FZMZJTMJSA-N 1 3 306.410 -0.450 20 0 DBADHO O=C(NC1CNC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000568374114 381755874 /nfs/dbraw/zinc/75/58/74/381755874.db2.gz QEFBWUZXYLIEMX-FZMZJTMJSA-N 1 3 306.410 -0.450 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000573444487 381827076 /nfs/dbraw/zinc/82/70/76/381827076.db2.gz CXHRZOIGXHLAIJ-SOUVJXGZSA-N 1 3 310.442 -0.364 20 0 DBADHO O=C(C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN2CCC[C@@H]2C1 ZINC000573555630 381830067 /nfs/dbraw/zinc/83/00/67/381830067.db2.gz HWYKZPCIRNPLTI-MELADBBJSA-N 1 3 306.410 -0.639 20 0 DBADHO COC[C@@]1(C(=O)NC[C@@H](O)CN2CCC(C)CC2)CC[NH2+]C1 ZINC000573203731 381817915 /nfs/dbraw/zinc/81/79/15/381817915.db2.gz UFKSXUWIKXCVIX-GDBMZVCRSA-N 1 3 313.442 -0.179 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CCN2C1=O ZINC000574703229 381876500 /nfs/dbraw/zinc/87/65/00/381876500.db2.gz AWDFOSDMTJWNQN-IHRRRGAJSA-N 1 3 320.368 -0.362 20 0 DBADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000574099101 381850954 /nfs/dbraw/zinc/85/09/54/381850954.db2.gz UDUDVGYARHZSSL-GJZGRUSLSA-N 1 3 312.458 -0.415 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000580551034 381942923 /nfs/dbraw/zinc/94/29/23/381942923.db2.gz SHJSEPWAHKGUHM-CJNGLKHVSA-N 1 3 308.426 -0.249 20 0 DBADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000578140237 381997049 /nfs/dbraw/zinc/99/70/49/381997049.db2.gz CXSNBVJVKLWMCG-OAHLLOKOSA-N 1 3 312.458 -0.461 20 0 DBADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000578140237 381997059 /nfs/dbraw/zinc/99/70/59/381997059.db2.gz CXSNBVJVKLWMCG-OAHLLOKOSA-N 1 3 312.458 -0.461 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000578625045 382026437 /nfs/dbraw/zinc/02/64/37/382026437.db2.gz KDFSNIOSKKHJTA-AWEZNQCLSA-N 1 3 323.441 -0.312 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000578731108 382031688 /nfs/dbraw/zinc/03/16/88/382031688.db2.gz CAXYUWXJGNPNNS-RDBSUJKOSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000578878377 382037704 /nfs/dbraw/zinc/03/77/04/382037704.db2.gz PZNVZLKUTMJEEI-LJISPDSOSA-N 1 3 320.437 -0.251 20 0 DBADHO COCCNCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000193676130 382120332 /nfs/dbraw/zinc/12/03/32/382120332.db2.gz HGHIFSVBRWQARP-LBPRGKRZSA-N 1 3 300.403 -0.932 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1=O ZINC000579478970 382072423 /nfs/dbraw/zinc/07/24/23/382072423.db2.gz GEITUHNRTZDIKH-YOEHRIQHSA-N 1 3 322.453 -0.001 20 0 DBADHO O=C(N[C@@H]1CCN(C2CC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579572047 382076285 /nfs/dbraw/zinc/07/62/85/382076285.db2.gz WGZRXHLEVUAIQS-UKRRQHHQSA-N 1 3 307.442 -0.088 20 0 DBADHO C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000581009639 382126195 /nfs/dbraw/zinc/12/61/95/382126195.db2.gz RJJGCABNEKIAMT-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO O[C@@H]1COCCN(CCCCC[N@@H+]2CCOC[C@@H](O)C2)C1 ZINC000579728357 382090207 /nfs/dbraw/zinc/09/02/07/382090207.db2.gz JMCNDEGJUXDNQY-GJZGRUSLSA-N 1 3 302.415 -0.457 20 0 DBADHO O[C@@H]1COCCN(CCCCC[N@H+]2CCOC[C@@H](O)C2)C1 ZINC000579728357 382090209 /nfs/dbraw/zinc/09/02/09/382090209.db2.gz JMCNDEGJUXDNQY-GJZGRUSLSA-N 1 3 302.415 -0.457 20 0 DBADHO COC(=O)C1CCN(CCCNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000581129067 382130853 /nfs/dbraw/zinc/13/08/53/382130853.db2.gz LDWXTRGYMKKLFS-ZDUSSCGKSA-N 1 3 315.414 -0.259 20 0 DBADHO COCC[N@H+](C)CCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000581120572 382130865 /nfs/dbraw/zinc/13/08/65/382130865.db2.gz FOYBYKBFNLLALC-CYBMUJFWSA-N 1 3 301.435 -0.761 20 0 DBADHO COCC[N@@H+](C)CCCNC(=O)N1CCN(C)C[C@H]1CN ZINC000581120572 382130866 /nfs/dbraw/zinc/13/08/66/382130866.db2.gz FOYBYKBFNLLALC-CYBMUJFWSA-N 1 3 301.435 -0.761 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000642439417 382168920 /nfs/dbraw/zinc/16/89/20/382168920.db2.gz GNJJAOPGFUOSFD-CHWSQXEVSA-N 1 3 312.414 -0.837 20 0 DBADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@@H]2CCN(C3CC3)C2)CC1=O ZINC000073074450 382322245 /nfs/dbraw/zinc/32/22/45/382322245.db2.gz JSHLATFGGDKNIF-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627302330 382427062 /nfs/dbraw/zinc/42/70/62/382427062.db2.gz IJXXINNKFPLAQW-WCQYABFASA-N 1 3 312.414 -0.920 20 0 DBADHO CC(C)[C@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1 ZINC000621153122 382466700 /nfs/dbraw/zinc/46/67/00/382466700.db2.gz KZMPRONAUZLFLB-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@H]1CC[C@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)C[NH2+]1 ZINC000627323400 382493171 /nfs/dbraw/zinc/49/31/71/382493171.db2.gz VMKMHGKMEYVQNF-AAEUAGOBSA-N 1 3 308.426 -0.014 20 0 DBADHO CCN1CCC(NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CC1 ZINC000621838051 382513545 /nfs/dbraw/zinc/51/35/45/382513545.db2.gz WSUAMLGLBQXCTD-MLGOLLRUSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCc1nnnn1C1CC1 ZINC000080546306 382554885 /nfs/dbraw/zinc/55/48/85/382554885.db2.gz XUFBXFYVEMVPJN-UHFFFAOYSA-N 1 3 324.433 -0.357 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622029798 382536617 /nfs/dbraw/zinc/53/66/17/382536617.db2.gz LOBALZYLBLHKNV-MLGOLLRUSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622029799 382536793 /nfs/dbraw/zinc/53/67/93/382536793.db2.gz LOBALZYLBLHKNV-WBMJQRKESA-N 1 3 308.426 -0.121 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627483019 382632285 /nfs/dbraw/zinc/63/22/85/382632285.db2.gz YGGOOULNLFSQPO-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486261 382632710 /nfs/dbraw/zinc/63/27/10/382632710.db2.gz VWALEQQADSLUSE-ZDUSSCGKSA-N 1 3 314.430 -0.732 20 0 DBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627486260 382632852 /nfs/dbraw/zinc/63/28/52/382632852.db2.gz VWALEQQADSLUSE-CYBMUJFWSA-N 1 3 314.430 -0.732 20 0 DBADHO Nc1nc(N)nc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000624046789 382598160 /nfs/dbraw/zinc/59/81/60/382598160.db2.gz LMQQRSDGNMXDNA-WDEREUQCSA-N 1 3 307.402 -0.702 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)CN1CCCCC1 ZINC000627357578 382618198 /nfs/dbraw/zinc/61/81/98/382618198.db2.gz JYIFNPZFKSKHJH-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CCN(CCN)C(=O)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000627366800 382618901 /nfs/dbraw/zinc/61/89/01/382618901.db2.gz CLICXBFXTFOTMR-UHFFFAOYSA-N 1 3 314.430 -0.589 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000627370867 382619504 /nfs/dbraw/zinc/61/95/04/382619504.db2.gz OWTDABBRTNFKNQ-WDMOLILDSA-N 1 3 314.455 -0.594 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[NH2+]1 ZINC000627380444 382620555 /nfs/dbraw/zinc/62/05/55/382620555.db2.gz PYTFQBFJTWHXKC-KWCYVHTRSA-N 1 3 308.426 -0.156 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CCOC)CCN(C)C ZINC000627460781 382629112 /nfs/dbraw/zinc/62/91/12/382629112.db2.gz VGQCHQAGZRDRJG-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H]1CCN(C(C)(C)C)C1 ZINC000627461691 382629137 /nfs/dbraw/zinc/62/91/37/382629137.db2.gz XEWFHIGYWNGYEB-GFCCVEGCSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CCCC12CCN(C)CC2 ZINC000627500877 382634824 /nfs/dbraw/zinc/63/48/24/382634824.db2.gz PXJRPIQWAICYBR-QWHCGFSZSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821066 382651950 /nfs/dbraw/zinc/65/19/50/382651950.db2.gz NXDALDPEZHWAHR-JSGCOSHPSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)CCO1 ZINC000631907521 382653645 /nfs/dbraw/zinc/65/36/45/382653645.db2.gz MPZPAEXLSUULQT-OLZOCXBDSA-N 1 3 305.444 -0.150 20 0 DBADHO COCC[NH2+]C1CCN(S(=O)(=O)CCCN(C)C)CC1 ZINC000631948080 382656486 /nfs/dbraw/zinc/65/64/86/382656486.db2.gz VXVMPOMKGDSNKT-UHFFFAOYSA-N 1 3 307.460 -0.032 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)C[C@@H]2CCCN(C)C2)C[C@H]1C[NH3+] ZINC000633080675 382681252 /nfs/dbraw/zinc/68/12/52/382681252.db2.gz ROBHVTUYOBBGGD-MGPQQGTHSA-N 1 3 310.442 -0.160 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C[C@H]1C[NH3+] ZINC000633084982 382681411 /nfs/dbraw/zinc/68/14/11/382681411.db2.gz SFIOZEMHAHFVCH-MCIONIFRSA-N 1 3 308.426 -0.264 20 0 DBADHO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCC[C@@H]1CN1CCCC1 ZINC000633086062 382681527 /nfs/dbraw/zinc/68/15/27/382681527.db2.gz YJXUAZBLFLJNSM-MJBXVCDLSA-N 1 3 306.410 -0.354 20 0 DBADHO C[C@H](C1CCN(C)CC1)N(C)C(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633085285 382681535 /nfs/dbraw/zinc/68/15/35/382681535.db2.gz PWIGODKSXPMFLD-XBFCOCLRSA-N 1 3 308.426 -0.252 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633110323 382683311 /nfs/dbraw/zinc/68/33/11/382683311.db2.gz HOSXLIGSNGSXER-OKILXGFUSA-N 1 3 308.426 -0.107 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000627505075 382635127 /nfs/dbraw/zinc/63/51/27/382635127.db2.gz VFIKWJKKDZCLAB-CYBMUJFWSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)CCOC1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627504891 382635163 /nfs/dbraw/zinc/63/51/63/382635163.db2.gz KFYVGZMEIFIEAP-GFCCVEGCSA-N 1 3 312.414 -0.966 20 0 DBADHO C[NH+](C)C1CCN(CCNC(=O)CNC[C@@H]2CCCO2)CC1 ZINC000237082774 391977696 /nfs/dbraw/zinc/97/76/96/391977696.db2.gz HUVMJQLNVLXLJO-HNNXBMFYSA-N 1 3 312.458 -0.103 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318560 392034656 /nfs/dbraw/zinc/03/46/56/392034656.db2.gz VZPOELKIZDRGGV-YIYPIFLZSA-N 1 3 308.426 -0.204 20 0 DBADHO CC[C@@H]1CN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC[C@H]1[NH3+] ZINC000649359131 392057238 /nfs/dbraw/zinc/05/72/38/392057238.db2.gz OJROTARSZWMXOO-MGPQQGTHSA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccco1 ZINC000555710291 392111633 /nfs/dbraw/zinc/11/16/33/392111633.db2.gz JBFBZDBKIHMCGV-UHFFFAOYSA-N 1 3 324.425 -0.110 20 0 DBADHO O=C(C[C@@H]1CNCCO1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000370786072 392501990 /nfs/dbraw/zinc/50/19/90/392501990.db2.gz HNJGMUGXOAGMFW-CYBMUJFWSA-N 1 3 305.382 -0.192 20 0 DBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000647597739 392652519 /nfs/dbraw/zinc/65/25/19/392652519.db2.gz KRUSWUGFFXDFMP-OLZOCXBDSA-N 1 3 319.409 -0.028 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CNCCC2(F)F)C1 ZINC000647728190 392827162 /nfs/dbraw/zinc/82/71/62/392827162.db2.gz HUPKVBATUFWKQS-GHMZBOCLSA-N 1 3 318.368 -0.455 20 0 DBADHO CC1(C)NC(=O)N(CCN2CC[C@H](N3CC[NH2+]CC3)C2)C1=O ZINC000319700222 392836098 /nfs/dbraw/zinc/83/60/98/392836098.db2.gz SWQISEWRKXJCFH-LBPRGKRZSA-N 1 3 309.414 -0.704 20 0 DBADHO CCO[C@H]1C[C@](N)(C(=O)N(C)CCN2CC[NH2+]CC2)C1(C)C ZINC000647777151 392872898 /nfs/dbraw/zinc/87/28/98/392872898.db2.gz BJEFJEAWOHXCBD-BBRMVZONSA-N 1 3 312.458 -0.118 20 0 DBADHO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCCN(C)C1 ZINC000645263008 392926460 /nfs/dbraw/zinc/92/64/60/392926460.db2.gz QRNMLIQZYKIDRR-OLZOCXBDSA-N 1 3 311.430 -0.158 20 0 DBADHO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000330864032 393038116 /nfs/dbraw/zinc/03/81/16/393038116.db2.gz YDPGSUNJKQONRI-IIAWOOMASA-N 1 3 313.442 -0.132 20 0 DBADHO COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000330864032 393038122 /nfs/dbraw/zinc/03/81/22/393038122.db2.gz YDPGSUNJKQONRI-IIAWOOMASA-N 1 3 313.442 -0.132 20 0 DBADHO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000330864035 393038537 /nfs/dbraw/zinc/03/85/37/393038537.db2.gz YDPGSUNJKQONRI-SQWLQELKSA-N 1 3 313.442 -0.132 20 0 DBADHO COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000330864035 393038538 /nfs/dbraw/zinc/03/85/38/393038538.db2.gz YDPGSUNJKQONRI-SQWLQELKSA-N 1 3 313.442 -0.132 20 0 DBADHO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000330864034 393038570 /nfs/dbraw/zinc/03/85/70/393038570.db2.gz YDPGSUNJKQONRI-OFQRWUPVSA-N 1 3 313.442 -0.132 20 0 DBADHO COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@@H](C)C1 ZINC000330864034 393038574 /nfs/dbraw/zinc/03/85/74/393038574.db2.gz YDPGSUNJKQONRI-OFQRWUPVSA-N 1 3 313.442 -0.132 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426315 393043968 /nfs/dbraw/zinc/04/39/68/393043968.db2.gz GDAAVYYRBIXYFU-OLZOCXBDSA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426723 393044273 /nfs/dbraw/zinc/04/42/73/393044273.db2.gz HLQIPYSLFQUXJE-OLZOCXBDSA-N 1 3 313.446 -0.034 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426317 393044353 /nfs/dbraw/zinc/04/43/53/393044353.db2.gz GDAAVYYRBIXYFU-QWHCGFSZSA-N 1 3 313.446 -0.177 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC(C)(C)C[NH3+] ZINC000417435772 393045208 /nfs/dbraw/zinc/04/52/08/393045208.db2.gz ZFJQSTXFESABTO-LBPRGKRZSA-N 1 3 313.446 -0.034 20 0 DBADHO C[C@H](NCCN1CC[NH2+]CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000647992043 393062478 /nfs/dbraw/zinc/06/24/78/393062478.db2.gz YHBNHLJUZZESAJ-LBPRGKRZSA-N 1 3 312.439 -0.110 20 0 DBADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NC(N)=O)CC1 ZINC000105862016 393067428 /nfs/dbraw/zinc/06/74/28/393067428.db2.gz ASUJETIRMXDRPM-MNOVXSKESA-N 1 3 300.403 -0.406 20 0 DBADHO CCN1CCN(C[C@@H](C)CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348992128 393185116 /nfs/dbraw/zinc/18/51/16/393185116.db2.gz HPWLNBUJJYPMJX-AWEZNQCLSA-N 1 3 312.458 -0.245 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NCCOCC[NH+](C)C)CC1=O ZINC000349723118 393213697 /nfs/dbraw/zinc/21/36/97/393213697.db2.gz NMOXHUWKCJLOSV-ZDUSSCGKSA-N 1 3 314.430 -0.909 20 0 DBADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000332616416 393329276 /nfs/dbraw/zinc/32/92/76/393329276.db2.gz SKTXJMGYDDCTSW-XUXIUFHCSA-N 1 3 308.426 -0.062 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351515621 393278795 /nfs/dbraw/zinc/27/87/95/393278795.db2.gz CJIXGJLMNRAJQJ-OLZOCXBDSA-N 1 3 312.414 -0.918 20 0 DBADHO CC[NH2+]CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418331180 393479792 /nfs/dbraw/zinc/47/97/92/393479792.db2.gz WXYQRXFOVARSFM-ZDUSSCGKSA-N 1 3 311.430 -0.456 20 0 DBADHO C[C@H](CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1)C[NH+](C)C ZINC000645558483 393476743 /nfs/dbraw/zinc/47/67/43/393476743.db2.gz FVFRCBDULQESDU-GFCCVEGCSA-N 1 3 324.429 -0.303 20 0 DBADHO CN(C)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418857603 393519849 /nfs/dbraw/zinc/51/98/49/393519849.db2.gz ZJVINORSGHVJQH-CABCVRRESA-N 1 3 318.421 -0.246 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418879068 393525894 /nfs/dbraw/zinc/52/58/94/393525894.db2.gz RWPDXPVFAQWYOY-ZFWWWQNUSA-N 1 3 320.437 -0.014 20 0 DBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418875865 393526362 /nfs/dbraw/zinc/52/63/62/393526362.db2.gz LDEHGAMMIQDZEW-GXTWGEPZSA-N 1 3 306.410 -0.261 20 0 DBADHO C[C@@H](CN1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419022247 393533911 /nfs/dbraw/zinc/53/39/11/393533911.db2.gz HYQHSBDHVWAWBP-CRWXNKLISA-N 1 3 310.442 -0.053 20 0 DBADHO COCCNCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000419130563 393546217 /nfs/dbraw/zinc/54/62/17/393546217.db2.gz CJFFQWJIEVPUPR-QWHCGFSZSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N(CC[NH3+])CCO ZINC000419034517 393535611 /nfs/dbraw/zinc/53/56/11/393535611.db2.gz ZWJJASJAYFULOR-CHWSQXEVSA-N 1 3 314.430 -0.997 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419283769 393568258 /nfs/dbraw/zinc/56/82/58/393568258.db2.gz KGJHWGOLRTXHAU-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000419289105 393564002 /nfs/dbraw/zinc/56/40/02/393564002.db2.gz SPAAUUVBWHOYPO-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419405861 393572789 /nfs/dbraw/zinc/57/27/89/393572789.db2.gz HYMFUYYWDLLTIH-CHWSQXEVSA-N 1 3 312.414 -0.979 20 0 DBADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000419404774 393573078 /nfs/dbraw/zinc/57/30/78/393573078.db2.gz GSDDVCHFDWRUBJ-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419405562 393573104 /nfs/dbraw/zinc/57/31/04/393573104.db2.gz HUPJCVAZDOCVQI-KBPBESRZSA-N 1 3 310.442 -0.050 20 0 DBADHO C[NH2+]C[C@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419410129 393574261 /nfs/dbraw/zinc/57/42/61/393574261.db2.gz OFSOXCYXYHYIHQ-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419411982 393575126 /nfs/dbraw/zinc/57/51/26/393575126.db2.gz CEXCTBMMQJPKQP-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000419418239 393575235 /nfs/dbraw/zinc/57/52/35/393575235.db2.gz YAUVFFZGSYYXHZ-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000419410126 393575252 /nfs/dbraw/zinc/57/52/52/393575252.db2.gz OFSOXCYXYHYIHQ-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000419403433 393571488 /nfs/dbraw/zinc/57/14/88/393571488.db2.gz DRSVDZQBHIQXSR-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000419443621 393578864 /nfs/dbraw/zinc/57/88/64/393578864.db2.gz BMYWPPQHXCBEMB-CHWSQXEVSA-N 1 3 314.430 -0.815 20 0 DBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000419526546 393586631 /nfs/dbraw/zinc/58/66/31/393586631.db2.gz UBOUVKSVOUBFFH-MJBXVCDLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)C[C@@H]2CCCN2C)C[C@@H]1C[NH3+] ZINC000423718707 393614619 /nfs/dbraw/zinc/61/46/19/393614619.db2.gz DHFQFPLBNXLVNV-RDBSUJKOSA-N 1 3 310.442 -0.018 20 0 DBADHO COCCN(CC[NH+](C)C)C(=O)CNC(=O)[C@@H](N)C(C)C ZINC000423733874 393616389 /nfs/dbraw/zinc/61/63/89/393616389.db2.gz ACZPHHXEJZDDRT-ZDUSSCGKSA-N 1 3 302.419 -0.878 20 0 DBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000423766230 393619531 /nfs/dbraw/zinc/61/95/31/393619531.db2.gz XZVLBVSBVJVVJE-HOTGVXAUSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000423766230 393619532 /nfs/dbraw/zinc/61/95/32/393619532.db2.gz XZVLBVSBVJVVJE-HOTGVXAUSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@@]1(C)C[NH3+] ZINC000423987052 393625523 /nfs/dbraw/zinc/62/55/23/393625523.db2.gz VCVKBWMCAQEZLL-DVOMOZLQSA-N 1 3 310.442 -0.160 20 0 DBADHO O=C(N[C@@H]1CNCCC1(F)F)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424199651 393633165 /nfs/dbraw/zinc/63/31/65/393633165.db2.gz ZDUCUKRJMNVUSB-MWLCHTKSSA-N 1 3 314.340 -0.070 20 0 DBADHO COCC[C@@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC[NH2+]C1 ZINC000424234643 393636214 /nfs/dbraw/zinc/63/62/14/393636214.db2.gz KOULKPFMHLCILR-LZWOXQAQSA-N 1 3 321.425 -0.311 20 0 DBADHO C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000428987747 393685344 /nfs/dbraw/zinc/68/53/44/393685344.db2.gz XQZJWDJZQUGBHE-BFHYXJOUSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1=O ZINC000462875792 393736570 /nfs/dbraw/zinc/73/65/70/393736570.db2.gz BWNRIKULVHGIMI-SOUVJXGZSA-N 1 3 322.453 -0.099 20 0 DBADHO CN1CCC[C@@H](N2CCN(C(=O)COC3CC[NH2+]CC3)CC2)C1 ZINC000646003244 393739456 /nfs/dbraw/zinc/73/94/56/393739456.db2.gz XQACQWRPIGCPPO-OAHLLOKOSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@H]3CNCCO3)CC2)C1 ZINC000646002930 393739953 /nfs/dbraw/zinc/73/99/53/393739953.db2.gz KGXWIQSGVSZWAH-GJZGRUSLSA-N 1 3 310.442 -0.397 20 0 DBADHO C[N@H+]1CCC[C@H](N2CCN(C(=O)C[C@H]3CNCCO3)CC2)C1 ZINC000646002930 393739955 /nfs/dbraw/zinc/73/99/55/393739955.db2.gz KGXWIQSGVSZWAH-GJZGRUSLSA-N 1 3 310.442 -0.397 20 0 DBADHO CN(C)CCn1cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cn1 ZINC000645803345 393711204 /nfs/dbraw/zinc/71/12/04/393711204.db2.gz RZKWTHIHXVWJEK-CYBMUJFWSA-N 1 3 322.413 -0.359 20 0 DBADHO C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000642094847 393812598 /nfs/dbraw/zinc/81/25/98/393812598.db2.gz DVLDORWGQWDGQA-TZMCWYRMSA-N 1 3 306.410 -0.261 20 0 DBADHO O=C1CNCCN1[C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662266766 411627874 /nfs/dbraw/zinc/62/78/74/411627874.db2.gz OWJOQIUHPALOQS-KBPBESRZSA-N 1 3 308.426 -0.596 20 0 DBADHO C[NH+](C)CC[C@H](N)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000653120637 411647202 /nfs/dbraw/zinc/64/72/02/411647202.db2.gz VYPDOLHNEOXDKA-HNNXBMFYSA-N 1 3 312.458 -0.164 20 0 DBADHO COCCNCC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899087 411657871 /nfs/dbraw/zinc/65/78/71/411657871.db2.gz ATHVRWVRFSRLQC-OAHLLOKOSA-N 1 3 312.458 -0.151 20 0 DBADHO COCCNCC(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899087 411657876 /nfs/dbraw/zinc/65/78/76/411657876.db2.gz ATHVRWVRFSRLQC-OAHLLOKOSA-N 1 3 312.458 -0.151 20 0 DBADHO CC[NH+](CC)CCNC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC000650549737 411671363 /nfs/dbraw/zinc/67/13/63/411671363.db2.gz HYBJVBDWKFIDRX-UHFFFAOYSA-N 1 3 313.446 -0.256 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CC1=O ZINC000653194573 411674516 /nfs/dbraw/zinc/67/45/16/411674516.db2.gz NNOQYKVDAAIUKP-ZQIUZPCESA-N 1 3 322.453 -0.016 20 0 DBADHO CS(=O)(=O)NCCN1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348903 411795673 /nfs/dbraw/zinc/79/56/73/411795673.db2.gz VLXFROKRRHIZDL-XQQFMLRXSA-N 1 3 305.444 -0.246 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622812 411806887 /nfs/dbraw/zinc/80/68/87/411806887.db2.gz UNBRGDCGVSQXCL-DGCLKSJQSA-N 1 3 322.413 -0.503 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659703456 411865870 /nfs/dbraw/zinc/86/58/70/411865870.db2.gz CIUAMLPFHGQVER-UHFFFAOYSA-N 1 3 314.430 -0.541 20 0 DBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000652705056 411820030 /nfs/dbraw/zinc/82/00/30/411820030.db2.gz ZDUFVTBBNJSDMZ-CYBMUJFWSA-N 1 3 314.430 -0.815 20 0 DBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@H]1CNCCO1 ZINC000652705056 411820032 /nfs/dbraw/zinc/82/00/32/411820032.db2.gz ZDUFVTBBNJSDMZ-CYBMUJFWSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000659509063 411827836 /nfs/dbraw/zinc/82/78/36/411827836.db2.gz DTSWXPCRTSUXDA-CYBMUJFWSA-N 1 3 313.446 -0.353 20 0 DBADHO CCC[NH2+]CCNC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659526276 411831440 /nfs/dbraw/zinc/83/14/40/411831440.db2.gz NGROKYOTQWPATK-UHFFFAOYSA-N 1 3 301.435 -0.353 20 0 DBADHO C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]2CNCCO2)CCO1 ZINC000659554463 411836260 /nfs/dbraw/zinc/83/62/60/411836260.db2.gz NBNJFLMMLIGWDX-KBPBESRZSA-N 1 3 314.430 -0.273 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CCC(OCCN(C)C)CC1 ZINC000659751319 411885428 /nfs/dbraw/zinc/88/54/28/411885428.db2.gz GLEJSSLTIPZJCK-GFCCVEGCSA-N 1 3 314.430 -0.720 20 0 DBADHO COCCN(C)C[C@H](O)CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000653777350 411905438 /nfs/dbraw/zinc/90/54/38/411905438.db2.gz MCCAPGZTPVMWGD-HNNXBMFYSA-N 1 3 315.458 -0.278 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN(CCO)C(C)(C)C1 ZINC000653632777 411883882 /nfs/dbraw/zinc/88/38/82/411883882.db2.gz ADWAHKDCBNEQFH-AWEZNQCLSA-N 1 3 303.447 -0.686 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN(CCO)C(C)(C)C1 ZINC000653632777 411883886 /nfs/dbraw/zinc/88/38/86/411883886.db2.gz ADWAHKDCBNEQFH-AWEZNQCLSA-N 1 3 303.447 -0.686 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N[C@@H]1CCCN2CCCC[C@H]12 ZINC000656022024 411989084 /nfs/dbraw/zinc/98/90/84/411989084.db2.gz RYGDXSGWPXOSQL-ZIAGYGMSSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NC1CC[NH2+]CC1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656019259 411989327 /nfs/dbraw/zinc/98/93/27/411989327.db2.gz DGVRAYWGNNLJLE-UONOGXRCSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[NH2+]CC1 ZINC000656028887 411990196 /nfs/dbraw/zinc/99/01/96/411990196.db2.gz SVIHYACARWXQFD-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)CCO1 ZINC000656028436 411990978 /nfs/dbraw/zinc/99/09/78/411990978.db2.gz LBCDRNGRDFRRSQ-MCIONIFRSA-N 1 3 324.425 -0.694 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656067511 411992594 /nfs/dbraw/zinc/99/25/94/411992594.db2.gz KHOUNTIYKLYVRG-OKILXGFUSA-N 1 3 310.442 -0.003 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656196024 411999194 /nfs/dbraw/zinc/99/91/94/411999194.db2.gz UAIDBRCZHVSIMR-STQMWFEESA-N 1 3 304.460 -0.577 20 0 DBADHO C[NH2+]C[C@@H](C)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000658409470 412046793 /nfs/dbraw/zinc/04/67/93/412046793.db2.gz GWULIAMGFPGTCD-SNVBAGLBSA-N 1 3 317.459 -0.052 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000659535768 412091710 /nfs/dbraw/zinc/09/17/10/412091710.db2.gz FQFUKQMKSOAKNY-STQMWFEESA-N 1 3 313.446 -0.082 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000659535763 412092074 /nfs/dbraw/zinc/09/20/74/412092074.db2.gz FQFUKQMKSOAKNY-CHWSQXEVSA-N 1 3 313.446 -0.082 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000659540011 412092590 /nfs/dbraw/zinc/09/25/90/412092590.db2.gz ZKKASDBNQZKLKA-CYBMUJFWSA-N 1 3 313.446 -0.210 20 0 DBADHO C[C@@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1C[NH3+] ZINC000659629454 412097302 /nfs/dbraw/zinc/09/73/02/412097302.db2.gz SXSPDOMCECURCK-ZJUUUORDSA-N 1 3 308.386 -0.233 20 0 DBADHO C[NH+](C)[C@H]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659632753 412097820 /nfs/dbraw/zinc/09/78/20/412097820.db2.gz FRYXNQVRCQFAJH-NSHDSACASA-N 1 3 308.386 -0.124 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000659674935 412101647 /nfs/dbraw/zinc/10/16/47/412101647.db2.gz PQIWDVBHNJROFQ-DZGCQCFKSA-N 1 3 320.437 0.000 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000659676186 412102044 /nfs/dbraw/zinc/10/20/44/412102044.db2.gz FUMGJMXAOOPLOU-CHWSQXEVSA-N 1 3 314.430 -0.672 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CCSC1 ZINC000659700902 412108300 /nfs/dbraw/zinc/10/83/00/412108300.db2.gz AXOTVMAOIBXQCG-AWEZNQCLSA-N 1 3 316.471 -0.264 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000659702666 412109268 /nfs/dbraw/zinc/10/92/68/412109268.db2.gz VLKBMJMAXOWEMC-GXFFZTMASA-N 1 3 302.444 -0.736 20 0 DBADHO C[C@@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1=CCN(C)CC1 ZINC000659703102 412109316 /nfs/dbraw/zinc/10/93/16/412109316.db2.gz WYGSCDPJCNVHHG-OPGSHWCFSA-N 1 3 306.410 -0.379 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCCC1 ZINC000659704929 412109422 /nfs/dbraw/zinc/10/94/22/412109422.db2.gz QCYZKHLQJQQLJK-ZDUSSCGKSA-N 1 3 308.426 -0.025 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000659702665 412110073 /nfs/dbraw/zinc/11/00/73/412110073.db2.gz VLKBMJMAXOWEMC-GWCFXTLKSA-N 1 3 302.444 -0.736 20 0 DBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000659705578 412110329 /nfs/dbraw/zinc/11/03/29/412110329.db2.gz ZDIBNXIOTNYREQ-UYJPIKCFSA-N 1 3 306.410 -0.463 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CC2CC1(CN)C2)C[NH+]1CCCC1 ZINC000659711172 412111806 /nfs/dbraw/zinc/11/18/06/412111806.db2.gz YCRWSDCQOSVBGO-VEAWUBTESA-N 1 3 308.426 -0.216 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCN(C(C)(C)C)C1 ZINC000659721537 412113839 /nfs/dbraw/zinc/11/38/39/412113839.db2.gz HKPOZGGXBVHIRP-LBPRGKRZSA-N 1 3 314.430 -0.672 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000659728804 412115553 /nfs/dbraw/zinc/11/55/53/412115553.db2.gz ZOUZYMJWJACMSY-CWVKQELPSA-N 1 3 320.437 -0.012 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000659738689 412117223 /nfs/dbraw/zinc/11/72/23/412117223.db2.gz ILRBHAMCPKXFQX-FRRDWIJNSA-N 1 3 312.414 -0.839 20 0 DBADHO C[C@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659739624 412119456 /nfs/dbraw/zinc/11/94/56/412119456.db2.gz BDRYEYNYFOWEAD-AJAZOQAWSA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@@H](CN1CCC(C)CC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659740583 412119610 /nfs/dbraw/zinc/11/96/10/412119610.db2.gz IIXIAMCDFBAALX-SOUVJXGZSA-N 1 3 322.453 -0.099 20 0 DBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659744398 412121652 /nfs/dbraw/zinc/12/16/52/412121652.db2.gz USEUXJDAGGASBK-UHFFFAOYSA-N 1 3 310.442 -0.099 20 0 DBADHO COCCN(C)CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662382418 412180841 /nfs/dbraw/zinc/18/08/41/412180841.db2.gz KHNPQHSVCCOECH-UHFFFAOYSA-N 1 3 324.429 -0.099 20 0 DBADHO NC1(C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CC2(CCC2)C1 ZINC000662403883 412182288 /nfs/dbraw/zinc/18/22/88/412182288.db2.gz JWUJQVWQPPIEBV-LBPRGKRZSA-N 1 3 308.426 -0.039 20 0 DBADHO COCCN(C)CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662439164 412183575 /nfs/dbraw/zinc/18/35/75/412183575.db2.gz JVGHBQVTBFYQLL-UHFFFAOYSA-N 1 3 310.402 -0.489 20 0 DBADHO [NH3+]CCOCC(=O)NCc1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000662858861 412206694 /nfs/dbraw/zinc/20/66/94/412206694.db2.gz IZCJHZGJRMDRKR-OAHLLOKOSA-N 1 3 307.394 -0.155 20 0 DBADHO OC[C@]1(O)CCCN(C/C=C/C[N@@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000660776833 412145569 /nfs/dbraw/zinc/14/55/69/412145569.db2.gz PXUASDVTKOMMRT-POHSLCEDSA-N 1 3 314.426 -0.819 20 0 DBADHO OC[C@]1(O)CCCN(C/C=C/C[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000660776833 412145573 /nfs/dbraw/zinc/14/55/73/412145573.db2.gz PXUASDVTKOMMRT-POHSLCEDSA-N 1 3 314.426 -0.819 20 0 DBADHO CNC(=O)[C@@H]1CCN(C/C=C\C[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000660833198 412148201 /nfs/dbraw/zinc/14/82/01/412148201.db2.gz QGKCSSWXPZGASL-LQOBQMSGSA-N 1 3 308.426 -0.322 20 0 DBADHO CNC(=O)[C@@H]1CCN(C/C=C\C[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000660833198 412148204 /nfs/dbraw/zinc/14/82/04/412148204.db2.gz QGKCSSWXPZGASL-LQOBQMSGSA-N 1 3 308.426 -0.322 20 0 DBADHO CNC(=O)[C@@H]1CC[N@@H+](C/C=C\CN2CC[C@H](C(=O)NC)C2)C1 ZINC000660833198 412148206 /nfs/dbraw/zinc/14/82/06/412148206.db2.gz QGKCSSWXPZGASL-LQOBQMSGSA-N 1 3 308.426 -0.322 20 0 DBADHO CNC(=O)[C@@H]1CC[N@H+](C/C=C\CN2CC[C@H](C(=O)NC)C2)C1 ZINC000660833198 412148209 /nfs/dbraw/zinc/14/82/09/412148209.db2.gz QGKCSSWXPZGASL-LQOBQMSGSA-N 1 3 308.426 -0.322 20 0 DBADHO C[N@H+](C[C@H]1CCC2(CNC2)O1)C1CCN(S(C)(=O)=O)CC1 ZINC000662258886 412173073 /nfs/dbraw/zinc/17/30/73/412173073.db2.gz NMHVSOOEXQRRMQ-CYBMUJFWSA-N 1 3 317.455 -0.137 20 0 DBADHO C[N@@H+](C[C@H]1CCC2(CNC2)O1)C1CCN(S(C)(=O)=O)CC1 ZINC000662258886 412173075 /nfs/dbraw/zinc/17/30/75/412173075.db2.gz NMHVSOOEXQRRMQ-CYBMUJFWSA-N 1 3 317.455 -0.137 20 0 DBADHO CN(C)CCNC(=O)c1cccc(C(=O)NCC[NH+](C)C)c1N ZINC000665111206 412271924 /nfs/dbraw/zinc/27/19/24/412271924.db2.gz WBYDGYPXRXWFOU-UHFFFAOYSA-N 1 3 321.425 -0.148 20 0 DBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1=O ZINC000662945577 412216917 /nfs/dbraw/zinc/21/69/17/412216917.db2.gz RRJPMTRJLTUHEC-IJLUTSLNSA-N 1 3 300.378 -0.706 20 0 DBADHO CC(C)[NH2+]C1CCN(C(=O)C(=O)N2CC3CC2(CN)C3)CC1 ZINC000662945535 412217746 /nfs/dbraw/zinc/21/77/46/412217746.db2.gz DQUAISHALQURBG-UHFFFAOYSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@H](CN)N(C)C(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662951748 412219419 /nfs/dbraw/zinc/21/94/19/412219419.db2.gz CEXJCRJFPYRLIS-OLZOCXBDSA-N 1 3 314.430 -0.639 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491555 412234209 /nfs/dbraw/zinc/23/42/09/412234209.db2.gz JBBRQEMJXHEKJF-OZVIIMIRSA-N 1 3 309.410 -0.280 20 0 DBADHO CN(C)CCn1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)n1 ZINC000354707944 412292652 /nfs/dbraw/zinc/29/26/52/412292652.db2.gz LQSSIZXMYLLOBT-GFCCVEGCSA-N 1 3 322.413 -0.359 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[NH2+]1 ZINC000626890642 412472395 /nfs/dbraw/zinc/47/23/95/412472395.db2.gz QUPHPIKLAWBHPV-VXGBXAGGSA-N 1 3 322.413 -0.360 20 0 DBADHO CCO[C@@H]1CN(C(=O)C(=O)NCCN(C)C2CC2)C[C@H]1C[NH3+] ZINC000652674593 418952063 /nfs/dbraw/zinc/95/20/63/418952063.db2.gz BCQMVHVLWVISGK-DGCLKSJQSA-N 1 3 312.414 -0.981 20 0 DBADHO C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000670545668 544421004 /nfs/dbraw/zinc/42/10/04/544421004.db2.gz CBLMNWYYCYUGFX-AWEZNQCLSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000671122976 544593976 /nfs/dbraw/zinc/59/39/76/544593976.db2.gz WTDSOZJBHOTECZ-ZFWWWQNUSA-N 1 3 320.437 -0.107 20 0 DBADHO O=C(NC[C@@H]1CC[N@H+](C2CC2)C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000671122976 544593980 /nfs/dbraw/zinc/59/39/80/544593980.db2.gz WTDSOZJBHOTECZ-ZFWWWQNUSA-N 1 3 320.437 -0.107 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658781547 544678261 /nfs/dbraw/zinc/67/82/61/544678261.db2.gz CCNBBWZVTLEFAW-UHFFFAOYSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N(C)CC1CN(C)C1 ZINC000658781547 544678269 /nfs/dbraw/zinc/67/82/69/544678269.db2.gz CCNBBWZVTLEFAW-UHFFFAOYSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658781547 544678273 /nfs/dbraw/zinc/67/82/73/544678273.db2.gz CCNBBWZVTLEFAW-UHFFFAOYSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)NCCC[NH+](C)C)cn1 ZINC000676089210 544857342 /nfs/dbraw/zinc/85/73/42/544857342.db2.gz XSTBCNKLOQRBNO-UHFFFAOYSA-N 1 3 310.402 -0.549 20 0 DBADHO COC1CCN(CCNC(=O)NCCOCC[NH+](C)C)CC1 ZINC000682613097 545002559 /nfs/dbraw/zinc/00/25/59/545002559.db2.gz FYJVHSIXFWNZOD-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO COCCNCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000419130561 265768391 /nfs/dbraw/zinc/76/83/91/265768391.db2.gz CJFFQWJIEVPUPR-OLZOCXBDSA-N 1 3 314.430 -0.672 20 0 DBADHO [NH3+][C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CCCC3)C2)C1 ZINC000419230657 265776698 /nfs/dbraw/zinc/77/66/98/265776698.db2.gz QDDUYQGQYSJYKT-UONOGXRCSA-N 1 3 308.426 -0.073 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000419718377 265807958 /nfs/dbraw/zinc/80/79/58/265807958.db2.gz ASBGZOXPLMVJSR-HZSPNIEDSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCCC[C@H](N2CCCC2)C1 ZINC000419884084 265824481 /nfs/dbraw/zinc/82/44/81/265824481.db2.gz NPMQKOIQKSCFGX-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419936602 265828439 /nfs/dbraw/zinc/82/84/39/265828439.db2.gz LKAMTBXLXGLCHC-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO Cn1c2ncn(CCN3CCC(C[NH3+])CC3)c2c(=O)n(C)c1=O ZINC000430646045 266010268 /nfs/dbraw/zinc/01/02/68/266010268.db2.gz VVGNACJXOWILDW-UHFFFAOYSA-N 1 3 320.397 -0.896 20 0 DBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C[C@@H]2CNCCO2)C1 ZINC000430890505 266015509 /nfs/dbraw/zinc/01/55/09/266015509.db2.gz RCQLGUDGHSMKBJ-QWHCGFSZSA-N 1 3 312.414 -0.932 20 0 DBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C[C@@H]2CNCCO2)C1 ZINC000430890505 266015511 /nfs/dbraw/zinc/01/55/11/266015511.db2.gz RCQLGUDGHSMKBJ-QWHCGFSZSA-N 1 3 312.414 -0.932 20 0 DBADHO [NH3+]C[C@H]1CCN(CCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000430920252 266015873 /nfs/dbraw/zinc/01/58/73/266015873.db2.gz OCACXZQOIKWERM-CQSZACIVSA-N 1 3 318.425 -0.204 20 0 DBADHO NC(=O)[C@H]1CCCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431028193 266016769 /nfs/dbraw/zinc/01/67/69/266016769.db2.gz NRUAXRRQQPERHY-ZDUSSCGKSA-N 1 3 308.426 -0.214 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H](CC[NH3+])C2)CC1=O ZINC000442603497 266126933 /nfs/dbraw/zinc/12/69/33/266126933.db2.gz VRHMLESPZMCSEI-ZIAGYGMSSA-N 1 3 310.442 -0.016 20 0 DBADHO C[NH+](C)C/C=C/C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000491854882 266147912 /nfs/dbraw/zinc/14/79/12/266147912.db2.gz ZELZHGJXQLIXJX-AATRIKPKSA-N 1 3 308.426 -0.129 20 0 DBADHO CN(C)C/C=C\C(=O)NC1(CNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000493129113 266170344 /nfs/dbraw/zinc/17/03/44/266170344.db2.gz LUMHZHIJJUURHT-SFECMWDFSA-N 1 3 308.426 -0.013 20 0 DBADHO CN(C)C/C=C\C(=O)NCC1(NC(=O)/C=C\C[NH+](C)C)CC1 ZINC000493129113 266170346 /nfs/dbraw/zinc/17/03/46/266170346.db2.gz LUMHZHIJJUURHT-SFECMWDFSA-N 1 3 308.426 -0.013 20 0 DBADHO C[C@H]([NH3+])[C@H](C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000493952059 266184073 /nfs/dbraw/zinc/18/40/73/266184073.db2.gz HDIIWDXVWMXREL-QWRGUYRKSA-N 1 3 310.402 -0.517 20 0 DBADHO CN1C[C@@H](CN2CCC(C(=O)NCC[NH+](C)C)CC2)OC1=O ZINC000495796784 266218647 /nfs/dbraw/zinc/21/86/47/266218647.db2.gz YKGFRRSNYCSJOV-ZDUSSCGKSA-N 1 3 312.414 -0.173 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC12CC2 ZINC000516173646 266278028 /nfs/dbraw/zinc/27/80/28/266278028.db2.gz URRHLISBHLHAQS-CYBMUJFWSA-N 1 3 310.442 -0.146 20 0 DBADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2OCCN[C@H]2C1 ZINC000517750198 266297055 /nfs/dbraw/zinc/29/70/55/266297055.db2.gz YNRSJBBWYSVUAN-LUKYLMHMSA-N 1 3 305.422 -0.020 20 0 DBADHO C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2COCCN2)CC1 ZINC000529285957 266386102 /nfs/dbraw/zinc/38/61/02/266386102.db2.gz HTOFZWKYZTYKDG-AWEZNQCLSA-N 1 3 313.446 -0.700 20 0 DBADHO CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339637993 276306170 /nfs/dbraw/zinc/30/61/70/276306170.db2.gz JTKOKTPKXCHBIY-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC2CCN(C)CC2)C1 ZINC000339637993 276306172 /nfs/dbraw/zinc/30/61/72/276306172.db2.gz JTKOKTPKXCHBIY-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@H]1N(C)C ZINC000331744135 278632296 /nfs/dbraw/zinc/63/22/96/278632296.db2.gz CBYNCPKEWAXOCN-CAEXGNQWSA-N 1 3 322.453 -0.019 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000331417448 288114822 /nfs/dbraw/zinc/11/48/22/288114822.db2.gz SUQCPLJJJOTMGR-XBFCOCLRSA-N 1 3 308.426 -0.075 20 0 DBADHO CCN1CCC[C@H]1CN1C[C@H](C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000449575418 279331672 /nfs/dbraw/zinc/33/16/72/279331672.db2.gz XWJVMAJJNIOPNY-AQRJEWBLSA-N 1 3 320.437 -0.347 20 0 DBADHO CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000332561399 288314862 /nfs/dbraw/zinc/31/48/62/288314862.db2.gz QUIOQYJNHVTBNI-KBPBESRZSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)CC[N@H+](C)CCCN(C)CC(=O)N1CCN(C)CC1 ZINC000344056527 289132258 /nfs/dbraw/zinc/13/22/58/289132258.db2.gz JTGIFYVIXISKGX-UHFFFAOYSA-N 1 3 313.490 -0.424 20 0 DBADHO CN(C)CC[N@@H+](C)CCCN(C)CC(=O)N1CCN(C)CC1 ZINC000344056527 289132259 /nfs/dbraw/zinc/13/22/59/289132259.db2.gz JTGIFYVIXISKGX-UHFFFAOYSA-N 1 3 313.490 -0.424 20 0 DBADHO CN(CCCN(C)CC(=O)N1CCN(C)CC1)CC[NH+](C)C ZINC000344056527 289132260 /nfs/dbraw/zinc/13/22/60/289132260.db2.gz JTGIFYVIXISKGX-UHFFFAOYSA-N 1 3 313.490 -0.424 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)CC1=O ZINC000449734104 289158147 /nfs/dbraw/zinc/15/81/47/289158147.db2.gz MAFMTVJUJAWDRL-BFHYXJOUSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C)C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000332354161 289196503 /nfs/dbraw/zinc/19/65/03/289196503.db2.gz PTWLXMHTYNKROK-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000332626468 289290052 /nfs/dbraw/zinc/29/00/52/289290052.db2.gz CWPOICBDVUDZMK-HZSPNIEDSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000332208132 289290115 /nfs/dbraw/zinc/29/01/15/289290115.db2.gz VDDCPZLVKPOVTM-BFHYXJOUSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000331767020 289310547 /nfs/dbraw/zinc/31/05/47/289310547.db2.gz GUXBCFJIXAIDJW-RRFJBIMHSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@@H](N2CCCCC2)C1 ZINC000351546378 295517553 /nfs/dbraw/zinc/51/75/53/295517553.db2.gz YZQOGSXNVJZNJI-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(C[C@@H]1CNCCO1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000374524518 303645876 /nfs/dbraw/zinc/64/58/76/303645876.db2.gz WGGRUBLYVOCZEM-GHMZBOCLSA-N 1 3 324.347 -0.683 20 0 DBADHO C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000580075250 332928821 /nfs/dbraw/zinc/92/88/21/332928821.db2.gz ZKJOXCKREVGZPR-OLZOCXBDSA-N 1 3 315.462 -0.820 20 0 DBADHO CC(C)N1CCN([C@H]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000569572548 332142057 /nfs/dbraw/zinc/14/20/57/332142057.db2.gz BYSOQCGNPUTVLN-HOTGVXAUSA-N 1 3 324.469 -0.008 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N1CC[C@@H]([NH3+])C1 ZINC000577493029 332282830 /nfs/dbraw/zinc/28/28/30/332282830.db2.gz ZPJHYAFJXGNAGN-GFCCVEGCSA-N 1 3 315.443 -0.217 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580301679 333080189 /nfs/dbraw/zinc/08/01/89/333080189.db2.gz NXCTXENVKXMOIZ-RYUDHWBXSA-N 1 3 314.430 -0.374 20 0 DBADHO C[C@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580330371 333204697 /nfs/dbraw/zinc/20/46/97/333204697.db2.gz HYQHSBDHVWAWBP-SYQHCUMBSA-N 1 3 310.442 -0.053 20 0 DBADHO COCc1nc2n(n1)C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000582117271 333293501 /nfs/dbraw/zinc/29/35/01/333293501.db2.gz KIQPJPOWXKELOI-YPMHNXCESA-N 1 3 309.414 -0.216 20 0 DBADHO COCc1nc2n(n1)C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000582117271 333293503 /nfs/dbraw/zinc/29/35/03/333293503.db2.gz KIQPJPOWXKELOI-YPMHNXCESA-N 1 3 309.414 -0.216 20 0 DBADHO O[C@H](C[NH2+]C[C@@H](O)CN1CCOCC1)CN1CCCCC1 ZINC000567873370 333395701 /nfs/dbraw/zinc/39/57/01/333395701.db2.gz SZHFUEFMZYTIOZ-HUUCEWRRSA-N 1 3 301.431 -0.884 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000582793768 337170735 /nfs/dbraw/zinc/17/07/35/337170735.db2.gz OECFCYGCVQJTPW-LSDHHAIUSA-N 1 3 317.474 -0.298 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCN(CC(C)(C)O)[C@@H](C)C1 ZINC000582793768 337170736 /nfs/dbraw/zinc/17/07/36/337170736.db2.gz OECFCYGCVQJTPW-LSDHHAIUSA-N 1 3 317.474 -0.298 20 0 DBADHO CC1CC[NH+](CCNC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000583095498 337240362 /nfs/dbraw/zinc/24/03/62/337240362.db2.gz LERHZOUNBTVWAL-ZIAGYGMSSA-N 1 3 323.441 -0.328 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000583269952 337297537 /nfs/dbraw/zinc/29/75/37/337297537.db2.gz MIFSRBLXFBOEAF-BZPMIXESSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000583269952 337297538 /nfs/dbraw/zinc/29/75/38/337297538.db2.gz MIFSRBLXFBOEAF-BZPMIXESSA-N 1 3 308.426 -0.075 20 0 DBADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000583274654 337300087 /nfs/dbraw/zinc/30/00/87/337300087.db2.gz JUUPSHVIEOSELX-YNEHKIRRSA-N 1 3 323.441 -0.282 20 0 DBADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000583274652 337300176 /nfs/dbraw/zinc/30/01/76/337300176.db2.gz JUUPSHVIEOSELX-JHJVBQTASA-N 1 3 323.441 -0.282 20 0 DBADHO CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000583274651 337300192 /nfs/dbraw/zinc/30/01/92/337300192.db2.gz JUUPSHVIEOSELX-FRRDWIJNSA-N 1 3 323.441 -0.282 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@H](O)C[N@H+](C)CC)CC1 ZINC000583301092 337311731 /nfs/dbraw/zinc/31/17/31/337311731.db2.gz SMFMIJLKNCHHSS-OAHLLOKOSA-N 1 3 314.474 -0.215 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000583301092 337311732 /nfs/dbraw/zinc/31/17/32/337311732.db2.gz SMFMIJLKNCHHSS-OAHLLOKOSA-N 1 3 314.474 -0.215 20 0 DBADHO CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000572901550 338242074 /nfs/dbraw/zinc/24/20/74/338242074.db2.gz PSMPYHTWJKQYCG-OLZOCXBDSA-N 1 3 309.414 -0.576 20 0 DBADHO CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000572901550 338242075 /nfs/dbraw/zinc/24/20/75/338242075.db2.gz PSMPYHTWJKQYCG-OLZOCXBDSA-N 1 3 309.414 -0.576 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCC[C@H]3CCC[NH2+]C3)CCN2C1=O ZINC000566509646 341560483 /nfs/dbraw/zinc/56/04/83/341560483.db2.gz WATKZJJCZTZDBA-FRRDWIJNSA-N 1 3 309.414 -0.671 20 0 DBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1CNCCO1 ZINC000575308743 341791559 /nfs/dbraw/zinc/79/15/59/341791559.db2.gz GCKNAYYHWDSSFF-STQMWFEESA-N 1 3 312.414 -0.789 20 0 DBADHO NC1(C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000580557897 341876558 /nfs/dbraw/zinc/87/65/58/341876558.db2.gz MFBYJIXYHZUTNF-CHWSQXEVSA-N 1 3 308.426 -0.025 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CCN2C1=O ZINC000580583241 341881457 /nfs/dbraw/zinc/88/14/57/341881457.db2.gz SNMCJZHVCNOVAV-ODXJTPSBSA-N 1 3 321.425 -0.672 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000263264444 519817176 /nfs/dbraw/zinc/81/71/76/519817176.db2.gz USAGMHFOEDJHLV-ZDUSSCGKSA-N 1 3 310.402 -0.517 20 0 DBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343825573 520290911 /nfs/dbraw/zinc/29/09/11/520290911.db2.gz LKNFLLGSEXUQPH-GJZGRUSLSA-N 1 3 312.458 -0.151 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000331460080 521009744 /nfs/dbraw/zinc/00/97/44/521009744.db2.gz UTJMQXQSDWEUFN-HUUCEWRRSA-N 1 3 322.453 -0.098 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN(C)C)CC1=O ZINC000105315200 521635194 /nfs/dbraw/zinc/63/51/94/521635194.db2.gz RWZDIJCEGSENNT-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN1C[C@H](C(=O)NCCN(C)C)CC1=O ZINC000105315200 521635196 /nfs/dbraw/zinc/63/51/96/521635196.db2.gz RWZDIJCEGSENNT-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CNCCO2)CCSC1 ZINC000333406802 522062913 /nfs/dbraw/zinc/06/29/13/522062913.db2.gz QSICNHDKVMIGOG-DGCLKSJQSA-N 1 3 302.444 -0.289 20 0 DBADHO COC[C@]1(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)CC[NH2+]C1 ZINC000333542401 522892430 /nfs/dbraw/zinc/89/24/30/522892430.db2.gz IBRUESJGTODCFV-GUTXKFCHSA-N 1 3 307.398 -0.701 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000331577438 523481619 /nfs/dbraw/zinc/48/16/19/523481619.db2.gz FESYXFOWRNPAKX-MGPQQGTHSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000331577445 523484027 /nfs/dbraw/zinc/48/40/27/523484027.db2.gz FESYXFOWRNPAKX-MJBXVCDLSA-N 1 3 308.426 -0.203 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000333681777 523844105 /nfs/dbraw/zinc/84/41/05/523844105.db2.gz OXYVUDMXBKJYFJ-ZDUSSCGKSA-N 1 3 323.441 -0.184 20 0 DBADHO CN(CCCN(C)CC[NH+](C)C)CCN1CCCS1(=O)=O ZINC000344029741 524061146 /nfs/dbraw/zinc/06/11/46/524061146.db2.gz ANZWYVNBTILBAI-UHFFFAOYSA-N 1 3 320.503 -0.163 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)C[C@H]1C[NH3+] ZINC000332671743 524434032 /nfs/dbraw/zinc/43/40/32/524434032.db2.gz SBTUCBNCGOZZHF-MGPQQGTHSA-N 1 3 308.426 -0.264 20 0 DBADHO O=C(NCC[C@H]1CCC[NH2+]C1)C(=O)N1CCN2CCC[C@H]2C1 ZINC000331656031 526389972 /nfs/dbraw/zinc/38/99/72/526389972.db2.gz WJVWNEREMRGQNX-KGLIPLIRSA-N 1 3 308.426 -0.201 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@H]2C1)C1CCCC1 ZINC000331685246 527203323 /nfs/dbraw/zinc/20/33/23/527203323.db2.gz VOTPEBZAPHTADG-UONOGXRCSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N1CCN2CCC[C@@H]2C1)C1CCCC1 ZINC000331685247 527203750 /nfs/dbraw/zinc/20/37/50/527203750.db2.gz VOTPEBZAPHTADG-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO CC1[C@@H](C(=O)N(C)CCN(C)C)[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000450025067 528274335 /nfs/dbraw/zinc/27/43/35/528274335.db2.gz RRVSLFMGSFQPJV-ZIAGYGMSSA-N 1 3 312.458 -0.092 20 0 DBADHO CC(C)C[C@H](NC(=O)NCCC[NH3+])C(=O)NCCN(C)C ZINC000418318413 528566038 /nfs/dbraw/zinc/56/60/38/528566038.db2.gz ACMAGOSGNRSPMQ-LBPRGKRZSA-N 1 3 301.435 -0.273 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1=O ZINC000342721727 535882044 /nfs/dbraw/zinc/88/20/44/535882044.db2.gz IAFRQFVHSBCXLK-LJISPDSOSA-N 1 3 322.453 -0.018 20 0 DBADHO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000633038814 545847901 /nfs/dbraw/zinc/84/79/01/545847901.db2.gz AKSIOASRVZCEAQ-MNOVXSKESA-N 1 3 308.386 -0.669 20 0 DBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000980398190 665757895 /nfs/dbraw/zinc/75/78/95/665757895.db2.gz VHBGBAAUVICEMJ-KGLIPLIRSA-N 1 3 323.441 -0.504 20 0 DBADHO CN(CCN1CCNC1=O)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000980398190 665757901 /nfs/dbraw/zinc/75/79/01/665757901.db2.gz VHBGBAAUVICEMJ-KGLIPLIRSA-N 1 3 323.441 -0.504 20 0 DBADHO O=C(NC[C@H]1CCCN1CCO)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001028037363 665826865 /nfs/dbraw/zinc/82/68/65/665826865.db2.gz VYQCMAIWEDJPBK-IQXANGCESA-N 1 3 309.410 -0.578 20 0 DBADHO O=C(NC[C@H]1CCCN1CCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001028037363 665826866 /nfs/dbraw/zinc/82/68/66/665826866.db2.gz VYQCMAIWEDJPBK-IQXANGCESA-N 1 3 309.410 -0.578 20 0 DBADHO C[C@H](O)CN1CCCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645332 665864781 /nfs/dbraw/zinc/86/47/81/665864781.db2.gz ANPUZKCVXOPZNB-UJEKJILKSA-N 1 3 323.437 -0.235 20 0 DBADHO C[C@H](O)CN1CCCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)CC1 ZINC000981645332 665864783 /nfs/dbraw/zinc/86/47/83/665864783.db2.gz ANPUZKCVXOPZNB-UJEKJILKSA-N 1 3 323.437 -0.235 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)NC[C@H]2CCCN2CCO)cn1 ZINC001028195490 665901000 /nfs/dbraw/zinc/90/10/00/665901000.db2.gz OPMPNBCSPCDQOZ-CQSZACIVSA-N 1 3 309.414 -0.369 20 0 DBADHO CC(C)(C(=O)N1CC[C@@H](N[C@@H]2CCNC2=O)C1)[NH+]1CCCC1 ZINC000969563709 663845244 /nfs/dbraw/zinc/84/52/44/663845244.db2.gz ISFSLHKOJZOEIB-CHWSQXEVSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020587584 663870015 /nfs/dbraw/zinc/87/00/15/663870015.db2.gz MFLJHWOYSVEBOV-MGPQQGTHSA-N 1 3 306.414 -0.001 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020587583 663870024 /nfs/dbraw/zinc/87/00/24/663870024.db2.gz MFLJHWOYSVEBOV-IHRRRGAJSA-N 1 3 306.414 -0.001 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC001020588586 663870090 /nfs/dbraw/zinc/87/00/90/663870090.db2.gz GIMZCBGULUFAQY-AVGNSLFASA-N 1 3 306.414 -0.106 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001020587728 663870093 /nfs/dbraw/zinc/87/00/93/663870093.db2.gz RVPYPMQPAYVETN-SYQHCUMBSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001020588630 663870114 /nfs/dbraw/zinc/87/01/14/663870114.db2.gz HOSDJFZMTIKZOC-IHRRRGAJSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CCN3CCNC3=O)C2)C1 ZINC001020588577 663870181 /nfs/dbraw/zinc/87/01/81/663870181.db2.gz GBEOURSPHRAAKV-MGPQQGTHSA-N 1 3 323.441 -0.410 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCN(C)C3=O)C2)C1 ZINC001020590399 663870808 /nfs/dbraw/zinc/87/08/08/663870808.db2.gz VJDIJFMJBGHICX-SYQHCUMBSA-N 1 3 308.426 -0.204 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020590418 663870856 /nfs/dbraw/zinc/87/08/56/663870856.db2.gz VOUQFLKOITUDAZ-PGUXBMHVSA-N 1 3 314.405 -0.079 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](N[C@@H]3CCC(=O)NC3=O)C2)CC1 ZINC000969813632 663871445 /nfs/dbraw/zinc/87/14/45/663871445.db2.gz CBOCXJPHCVLDII-CHWSQXEVSA-N 1 3 322.409 -0.676 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020592526 663871616 /nfs/dbraw/zinc/87/16/16/663871616.db2.gz HPZVPQVMXYMWCE-HKUMRIAESA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001020592526 663871617 /nfs/dbraw/zinc/87/16/17/663871617.db2.gz HPZVPQVMXYMWCE-HKUMRIAESA-N 1 3 306.414 -0.250 20 0 DBADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000969949330 663884568 /nfs/dbraw/zinc/88/45/68/663884568.db2.gz RQEDILUTYHLKEQ-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)N2CCC2)C1 ZINC000969949330 663884570 /nfs/dbraw/zinc/88/45/70/663884570.db2.gz RQEDILUTYHLKEQ-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000969948936 663885035 /nfs/dbraw/zinc/88/50/35/663885035.db2.gz OHYASWUMRWJGFQ-UONOGXRCSA-N 1 3 306.414 -0.047 20 0 DBADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969962657 663886347 /nfs/dbraw/zinc/88/63/47/663886347.db2.gz OMTCQXITPBXOPI-IAQYHMDHSA-N 1 3 314.405 -0.125 20 0 DBADHO CC(C)(C)[N@H+]1CC[C@](F)(C(=O)N2CC[C@@H](NCC(N)=O)C2)C1 ZINC000969962657 663886349 /nfs/dbraw/zinc/88/63/49/663886349.db2.gz OMTCQXITPBXOPI-IAQYHMDHSA-N 1 3 314.405 -0.125 20 0 DBADHO C[C@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CCCO)C1 ZINC000970168540 663934541 /nfs/dbraw/zinc/93/45/41/663934541.db2.gz CPDDPZRXRGKJBP-KKVZTGDRSA-N 1 3 323.437 -0.332 20 0 DBADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001021047770 663940307 /nfs/dbraw/zinc/94/03/07/663940307.db2.gz NQKUEAFYHAWYNT-AVGNSLFASA-N 1 3 306.414 -0.014 20 0 DBADHO CCn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001021047770 663940312 /nfs/dbraw/zinc/94/03/12/663940312.db2.gz NQKUEAFYHAWYNT-AVGNSLFASA-N 1 3 306.414 -0.014 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1)C(N)=O ZINC000970231546 663950599 /nfs/dbraw/zinc/95/05/99/663950599.db2.gz SMQCORQNKWSJOT-DGCLKSJQSA-N 1 3 322.413 -0.877 20 0 DBADHO Cc1nc(CN[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)n[nH]1 ZINC000970490143 663999160 /nfs/dbraw/zinc/99/91/60/663999160.db2.gz LZFFIALDHQTNAF-GFCCVEGCSA-N 1 3 304.398 -0.101 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000970713525 664039274 /nfs/dbraw/zinc/03/92/74/664039274.db2.gz ZZYHCHSJHZPBQM-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](NCC(=O)N3CCCC3)C2)C1 ZINC000970713525 664039277 /nfs/dbraw/zinc/03/92/77/664039277.db2.gz ZZYHCHSJHZPBQM-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000970718456 664040930 /nfs/dbraw/zinc/04/09/30/664040930.db2.gz VIRZRCBQSFMAQD-VXGBXAGGSA-N 1 3 308.382 -0.922 20 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/nfs/dbraw/zinc/44/98/38/664449838.db2.gz NZJSRQLFOZDSSB-CRWXNKLISA-N 1 3 308.426 -0.014 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000910596808 674622089 /nfs/dbraw/zinc/62/20/89/674622089.db2.gz IGWUNQVFNJQGGK-WMLDXEAASA-N 1 3 322.453 -0.049 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000910596808 674622090 /nfs/dbraw/zinc/62/20/90/674622090.db2.gz IGWUNQVFNJQGGK-WMLDXEAASA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCC1([NH3+])CC1 ZINC000910972139 674661967 /nfs/dbraw/zinc/66/19/67/674661967.db2.gz QMYVAEMYGVNIFZ-CQSZACIVSA-N 1 3 318.421 -0.117 20 0 DBADHO [NH3+][C@H]1C[C@@H](CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000892562833 664942693 /nfs/dbraw/zinc/94/26/93/664942693.db2.gz MLAPHAJYIFKWRK-OKILXGFUSA-N 1 3 323.441 -0.327 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892574000 664945156 /nfs/dbraw/zinc/94/51/56/664945156.db2.gz CSVMFMFYQHIOJV-MGPQQGTHSA-N 1 3 323.441 -0.328 20 0 DBADHO COCCC[NH+]1CCC(N2C(=O)N[C@@H](CN(C)C)C2=O)CC1 ZINC000924577251 664948944 /nfs/dbraw/zinc/94/89/44/664948944.db2.gz AHOLDGVIACCFPZ-ZDUSSCGKSA-N 1 3 312.414 -0.031 20 0 DBADHO COCCC[NH+]1CCC(N2C(=O)N[C@H](CN(C)C)C2=O)CC1 ZINC000924577249 664949192 /nfs/dbraw/zinc/94/91/92/664949192.db2.gz AHOLDGVIACCFPZ-CYBMUJFWSA-N 1 3 312.414 -0.031 20 0 DBADHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000973102559 664987146 /nfs/dbraw/zinc/98/71/46/664987146.db2.gz DLGZTDHYRYXBPB-AAVRWANBSA-N 1 3 308.426 -0.062 20 0 DBADHO CN1CCC[C@@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000973102559 664987149 /nfs/dbraw/zinc/98/71/49/664987149.db2.gz DLGZTDHYRYXBPB-AAVRWANBSA-N 1 3 308.426 -0.062 20 0 DBADHO CN1CCN(C(=O)NC[C@@H]2Cc3ccccc3CN2)[C@@H](C[NH3+])C1 ZINC000892790096 665066509 /nfs/dbraw/zinc/06/65/09/665066509.db2.gz XCMNGOKCTLGGDV-HOTGVXAUSA-N 1 3 317.437 -0.015 20 0 DBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000911147450 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310.442 -0.051 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026040738 665120776 /nfs/dbraw/zinc/12/07/76/665120776.db2.gz BSJHQIYINFBQJS-JHZZJYKESA-N 1 3 320.437 -0.204 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001026040738 665120778 /nfs/dbraw/zinc/12/07/78/665120778.db2.gz BSJHQIYINFBQJS-JHZZJYKESA-N 1 3 320.437 -0.204 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026043607 665121980 /nfs/dbraw/zinc/12/19/80/665121980.db2.gz SKLJNWOCGCLQLT-VVSAWPALSA-N 1 3 306.410 -0.737 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)C1 ZINC001026043607 665121981 /nfs/dbraw/zinc/12/19/81/665121981.db2.gz SKLJNWOCGCLQLT-VVSAWPALSA-N 1 3 306.410 -0.737 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000911163003 674685250 /nfs/dbraw/zinc/68/52/50/674685250.db2.gz VPQCJXSOZWKGSM-SOUVJXGZSA-N 1 3 322.453 -0.098 20 0 DBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911222255 674692425 /nfs/dbraw/zinc/69/24/25/674692425.db2.gz BSJTUAIGHSYKHN-STQMWFEESA-N 1 3 308.426 -0.299 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911205814 674689644 /nfs/dbraw/zinc/68/96/44/674689644.db2.gz CDRMEMWSIGJXMJ-REWJHTLYSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000911198034 674692838 /nfs/dbraw/zinc/69/28/38/674692838.db2.gz CQTGNSMMYOFOFI-GYSYKLTISA-N 1 3 314.455 -0.736 20 0 DBADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001027215028 665306759 /nfs/dbraw/zinc/30/67/59/665306759.db2.gz BIRMTSDXGGACBG-OLZOCXBDSA-N 1 3 306.414 -0.295 20 0 DBADHO Cn1cc(CNC[C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001027215028 665306764 /nfs/dbraw/zinc/30/67/64/665306764.db2.gz BIRMTSDXGGACBG-OLZOCXBDSA-N 1 3 306.414 -0.295 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC000976548812 665369452 /nfs/dbraw/zinc/36/94/52/665369452.db2.gz WMJNLTQSYNYDOS-TTZDDIAXSA-N 1 3 320.437 -0.393 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)CN4CCCC4)C[C@H]32)C1 ZINC000976548812 665369455 /nfs/dbraw/zinc/36/94/55/665369455.db2.gz WMJNLTQSYNYDOS-TTZDDIAXSA-N 1 3 320.437 -0.393 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000976546675 665369487 /nfs/dbraw/zinc/36/94/87/665369487.db2.gz NTKHCZUHESHQFV-PBOSXPJTSA-N 1 3 317.393 -0.523 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@@H]2[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]32)C1 ZINC000976546675 665369491 /nfs/dbraw/zinc/36/94/91/665369491.db2.gz NTKHCZUHESHQFV-PBOSXPJTSA-N 1 3 317.393 -0.523 20 0 DBADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C ZINC000976542540 665370651 /nfs/dbraw/zinc/37/06/51/665370651.db2.gz XHQNSVFYPRCVPQ-MRLBHPIUSA-N 1 3 322.453 -0.149 20 0 DBADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C ZINC000976542540 665370656 /nfs/dbraw/zinc/37/06/56/665370656.db2.gz XHQNSVFYPRCVPQ-MRLBHPIUSA-N 1 3 322.453 -0.149 20 0 DBADHO CC1(C)CCN(CCNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000911282817 674704964 /nfs/dbraw/zinc/70/49/64/674704964.db2.gz BOWGRXKZWFVEBY-ZDUSSCGKSA-N 1 3 310.442 -0.050 20 0 DBADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324750 674706392 /nfs/dbraw/zinc/70/63/92/674706392.db2.gz KRCMOWZOEWWLSC-SYQHCUMBSA-N 1 3 308.426 -0.027 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911346312 674712048 /nfs/dbraw/zinc/71/20/48/674712048.db2.gz NUXQOWDQBWESQN-UHFFFAOYSA-N 1 3 314.430 -0.813 20 0 DBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCC1([NH3+])CC1 ZINC000911503517 674731924 /nfs/dbraw/zinc/73/19/24/674731924.db2.gz OGQKDJBIXIJBJY-UHFFFAOYSA-N 1 3 308.382 -0.223 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000911520895 674735825 /nfs/dbraw/zinc/73/58/25/674735825.db2.gz QULUYRQVCVLHEP-GFCCVEGCSA-N 1 3 314.430 -0.863 20 0 DBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000911534607 674733591 /nfs/dbraw/zinc/73/35/91/674733591.db2.gz VLUMTASGDOMCKJ-LBPRGKRZSA-N 1 3 312.414 -0.979 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)c1cccc2c1OCCNC2 ZINC000911692943 674744075 /nfs/dbraw/zinc/74/40/75/674744075.db2.gz BJRLXTLOPAIFGU-UHFFFAOYSA-N 1 3 304.394 -0.196 20 0 DBADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@]2(C)CN3CCC2CC3)CC1=O ZINC000912376963 674767007 /nfs/dbraw/zinc/76/70/07/674767007.db2.gz BKQGNDMSURMIBO-SUMWQHHRSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@H]21 ZINC000227339886 674882572 /nfs/dbraw/zinc/88/25/72/674882572.db2.gz LNDPXPAXKHLBDX-CHWSQXEVSA-N 1 3 302.444 -0.448 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(S(=O)(=O)N3CCNCC3)CC[C@H]21 ZINC000227339886 674882573 /nfs/dbraw/zinc/88/25/73/674882573.db2.gz LNDPXPAXKHLBDX-CHWSQXEVSA-N 1 3 302.444 -0.448 20 0 DBADHO CN(C)[C@@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000991727687 674883072 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ZINC000940528664 677670754 /nfs/dbraw/zinc/67/07/54/677670754.db2.gz PJFAFYPCENVHCB-MGPQQGTHSA-N 1 3 308.426 -0.251 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000940528664 677670756 /nfs/dbraw/zinc/67/07/56/677670756.db2.gz PJFAFYPCENVHCB-MGPQQGTHSA-N 1 3 308.426 -0.251 20 0 DBADHO CCN1CC(N2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)CC2)C1 ZINC000941531907 677822197 /nfs/dbraw/zinc/82/21/97/677822197.db2.gz JOXLOLKIDLUPKL-INIZCTEOSA-N 1 3 324.469 -0.056 20 0 DBADHO CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CN(C(C)C)CCO3)CC2)C1 ZINC000941531907 677822199 /nfs/dbraw/zinc/82/21/99/677822199.db2.gz JOXLOLKIDLUPKL-INIZCTEOSA-N 1 3 324.469 -0.056 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000996439788 678243382 /nfs/dbraw/zinc/24/33/82/678243382.db2.gz FGFOUGPORAQUKX-WBMJQRKESA-N 1 3 322.453 -0.005 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC000996439788 678243383 /nfs/dbraw/zinc/24/33/83/678243383.db2.gz 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C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000999886528 678754132 /nfs/dbraw/zinc/75/41/32/678754132.db2.gz PDYKVXFWJIJIBQ-GXFFZTMASA-N 1 3 305.382 -0.523 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000999903935 678768372 /nfs/dbraw/zinc/76/83/72/678768372.db2.gz NVCVCWSBACYWMS-IUODEOHRSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC000999903935 678768373 /nfs/dbraw/zinc/76/83/73/678768373.db2.gz NVCVCWSBACYWMS-IUODEOHRSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H](n3ccnn3)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000925347066 678812149 /nfs/dbraw/zinc/81/21/49/678812149.db2.gz WTRGKXXMZUMPOC-ZOBORPQBSA-N 1 3 321.429 -0.133 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)N2C[C@@H](n3ccnn3)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000925347066 678812151 /nfs/dbraw/zinc/81/21/51/678812151.db2.gz WTRGKXXMZUMPOC-ZOBORPQBSA-N 1 3 321.429 -0.133 20 0 DBADHO C[C@@H]1[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CCN1C 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CN1CC[C@H](N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002127418 678970023 /nfs/dbraw/zinc/97/00/23/678970023.db2.gz RJEXWHGBNIIKBF-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(NC1CC[NH+](CCCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001003334914 679033703 /nfs/dbraw/zinc/03/37/03/679033703.db2.gz XUPYSCKOPGJNOG-GNHJJJEISA-N 1 3 323.437 -0.187 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000842016952 805579684 /nfs/dbraw/zinc/57/96/84/805579684.db2.gz ZXVPHFOEDUEZPO-MCIONIFRSA-N 1 3 308.426 -0.345 20 0 DBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000842165349 805584598 /nfs/dbraw/zinc/58/45/98/805584598.db2.gz VARYDNVMBJDUGB-MELADBBJSA-N 1 3 324.425 -0.694 20 0 DBADHO C[NH2+]CCNC(=O)C(=O)N(CCc1ccccc1)CCN(C)C ZINC000842231710 805588889 /nfs/dbraw/zinc/58/88/89/805588889.db2.gz NFKMYWMVKOXRJK-UHFFFAOYSA-N 1 3 320.437 -0.045 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843456603 805624507 /nfs/dbraw/zinc/62/45/07/805624507.db2.gz IOPPQSBFOSADMQ-AWEZNQCLSA-N 1 3 322.413 -0.154 20 0 DBADHO [NH3+]CCNC(=O)c1ccccc1NC(=O)C[C@@H]1CNCCO1 ZINC000843471250 805626289 /nfs/dbraw/zinc/62/62/89/805626289.db2.gz ASAVLHQZOUUEOH-LLVKDONJSA-N 1 3 306.366 -0.308 20 0 DBADHO C[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000844192376 805652837 /nfs/dbraw/zinc/65/28/37/805652837.db2.gz OMMGLMVMAUXPOL-LSDHHAIUSA-N 1 3 312.458 -0.245 20 0 DBADHO O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847311570 805791498 /nfs/dbraw/zinc/79/14/98/805791498.db2.gz GWCAETLWYOQFSR-BARDWOONSA-N 1 3 324.425 -0.690 20 0 DBADHO O=C(NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847311570 805791500 /nfs/dbraw/zinc/79/15/00/805791500.db2.gz GWCAETLWYOQFSR-BARDWOONSA-N 1 3 324.425 -0.690 20 0 DBADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847311572 805791884 /nfs/dbraw/zinc/79/18/84/805791884.db2.gz GWCAETLWYOQFSR-BYNSBNAKSA-N 1 3 324.425 -0.690 20 0 DBADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847311572 805791889 /nfs/dbraw/zinc/79/18/89/805791889.db2.gz GWCAETLWYOQFSR-BYNSBNAKSA-N 1 3 324.425 -0.690 20 0 DBADHO O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000848606122 805842197 /nfs/dbraw/zinc/84/21/97/805842197.db2.gz UZJXVPHRFFEMOL-AXFHLTTASA-N 1 3 304.341 -0.556 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)C1 ZINC000851690506 805929007 /nfs/dbraw/zinc/92/90/07/805929007.db2.gz DQZHILONVGTCEZ-BBRMVZONSA-N 1 3 308.426 -0.059 20 0 DBADHO CN1CCN(c2ccncc2NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852873172 805984519 /nfs/dbraw/zinc/98/45/19/805984519.db2.gz QFGDOBWRYUVMSE-LLVKDONJSA-N 1 3 318.381 -0.125 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COCCO1 ZINC000853464213 806006735 /nfs/dbraw/zinc/00/67/35/806006735.db2.gz TWXCDGYBSREURU-UONOGXRCSA-N 1 3 316.446 -0.027 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1COCCO1 ZINC000853464213 806006742 /nfs/dbraw/zinc/00/67/42/806006742.db2.gz TWXCDGYBSREURU-UONOGXRCSA-N 1 3 316.446 -0.027 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000857111905 806109845 /nfs/dbraw/zinc/10/98/45/806109845.db2.gz ZLCQTQVHOIOZSR-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@H](C[NH2+]CCn2cncn2)C1 ZINC001317341136 806136245 /nfs/dbraw/zinc/13/62/45/806136245.db2.gz QMJCYAJSZLWASP-GFCCVEGCSA-N 1 3 303.370 -0.318 20 0 DBADHO CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)CCCC[NH+](C)C ZINC001317651840 806217503 /nfs/dbraw/zinc/21/75/03/806217503.db2.gz ZNUXZULFLALJJD-LBPRGKRZSA-N 1 3 312.414 -0.429 20 0 DBADHO C[C@@H]([NH3+])CN(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000861569771 806275331 /nfs/dbraw/zinc/27/53/31/806275331.db2.gz DPUGDYPUEGYNPV-OLZOCXBDSA-N 1 3 313.446 -0.082 20 0 DBADHO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000863559442 806365543 /nfs/dbraw/zinc/36/55/43/806365543.db2.gz NSMBNVCLTFTNOR-CHWSQXEVSA-N 1 3 317.430 -0.082 20 0 DBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001319561494 806393242 /nfs/dbraw/zinc/39/32/42/806393242.db2.gz ACIGQPGESDQENE-NWDGAFQWSA-N 1 3 312.414 -0.430 20 0 DBADHO CCN(CCNCC(=O)N1CCOCC1)C(=O)CC[NH+](C)C ZINC001320828946 806532550 /nfs/dbraw/zinc/53/25/50/806532550.db2.gz AEDMLEOTPYVCPX-UHFFFAOYSA-N 1 3 314.430 -0.765 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCCS(C)(=O)=O ZINC001320995958 806551742 /nfs/dbraw/zinc/55/17/42/806551742.db2.gz BJHHQJFLSWCFBR-DHCBQETCSA-N 1 3 317.455 -0.223 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN(C)C(C)(C)CC2)C[C@H]1C[NH3+] ZINC000868405088 806552571 /nfs/dbraw/zinc/55/25/71/806552571.db2.gz HICGXRGGYXEHNZ-CHWSQXEVSA-N 1 3 310.442 -0.018 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@@H](O)Cn1cccn1 ZINC001321000514 806553899 /nfs/dbraw/zinc/55/38/99/806553899.db2.gz ZEGDXAPWQUOCFO-SWVJOTTGSA-N 1 3 321.425 -0.400 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868421213 806555201 /nfs/dbraw/zinc/55/52/01/806555201.db2.gz JEUHZGDCCAANIF-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000870881389 806612293 /nfs/dbraw/zinc/61/22/93/806612293.db2.gz REBBRQIRIHVEML-JJRVBVJISA-N 1 3 320.437 -0.120 20 0 DBADHO CC(C)C[C@H](N)C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000871004932 806617400 /nfs/dbraw/zinc/61/74/00/806617400.db2.gz QKXYOUPPQBNPGC-RVMXOQNASA-N 1 3 310.398 -0.247 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872185758 806647908 /nfs/dbraw/zinc/64/79/08/806647908.db2.gz DDKAJGDCGPYSDK-NXEZZACHSA-N 1 3 324.347 -0.398 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1)C1CC1 ZINC000875124920 806731258 /nfs/dbraw/zinc/73/12/58/806731258.db2.gz BLEQNFCINIPPRF-OCCSQVGLSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1)C1CC1 ZINC000875124920 806731261 /nfs/dbraw/zinc/73/12/61/806731261.db2.gz BLEQNFCINIPPRF-OCCSQVGLSA-N 1 3 308.426 -0.251 20 0 DBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875236903 806739830 /nfs/dbraw/zinc/73/98/30/806739830.db2.gz GKLYAAQOOFDRPF-RDBSUJKOSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000875236903 806739835 /nfs/dbraw/zinc/73/98/35/806739835.db2.gz GKLYAAQOOFDRPF-RDBSUJKOSA-N 1 3 312.414 -0.785 20 0 DBADHO C[C@@H]1CN(CCCCNC(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)O1 ZINC000876731746 806802346 /nfs/dbraw/zinc/80/23/46/806802346.db2.gz UIXKICMKQCNZOO-MJBXVCDLSA-N 1 3 300.447 -0.119 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)CN1CCN(C)CC1 ZINC000876781300 806805852 /nfs/dbraw/zinc/80/58/52/806805852.db2.gz FHKZWNXIGDMSRN-WOPDTQHZSA-N 1 3 304.385 -0.174 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1=O ZINC000877281505 806830971 /nfs/dbraw/zinc/83/09/71/806830971.db2.gz HNZKLJSOXJLFSO-MGPQQGTHSA-N 1 3 308.426 -0.251 20 0 DBADHO C[NH+]1CCC(NC(=O)CN2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000878135585 806847706 /nfs/dbraw/zinc/84/77/06/806847706.db2.gz QMXQWNUWOBAOLD-HNNXBMFYSA-N 1 3 324.469 -0.149 20 0 DBADHO CC(C)N1CCN(CCC[N@@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC1 ZINC000879535739 806891200 /nfs/dbraw/zinc/89/12/00/806891200.db2.gz RQFIGVMSJAEHSU-GASCZTMLSA-N 1 3 322.453 -0.051 20 0 DBADHO CC(C)N1CCN(CCC[N@H+]2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)CC1 ZINC000879535739 806891210 /nfs/dbraw/zinc/89/12/10/806891210.db2.gz RQFIGVMSJAEHSU-GASCZTMLSA-N 1 3 322.453 -0.051 20 0 DBADHO CC[C@H](C(N)=O)[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278028463 803742743 /nfs/dbraw/zinc/74/27/43/803742743.db2.gz MQUVKFSDWGBPBZ-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO CC[C@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278028463 803742750 /nfs/dbraw/zinc/74/27/50/803742750.db2.gz MQUVKFSDWGBPBZ-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO CC[C@@H](C(N)=O)[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278028465 803742804 /nfs/dbraw/zinc/74/28/04/803742804.db2.gz MQUVKFSDWGBPBZ-MJBXVCDLSA-N 1 3 310.442 -0.018 20 0 DBADHO CC[C@@H](C(N)=O)[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001278028465 803742807 /nfs/dbraw/zinc/74/28/07/803742807.db2.gz MQUVKFSDWGBPBZ-MJBXVCDLSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H](O)C[NH2+]CCN(CCO)C(=O)C(C)(C)N1CCCC1 ZINC001279791908 803919965 /nfs/dbraw/zinc/91/99/65/803919965.db2.gz LIACXFNCPTWPKC-CYBMUJFWSA-N 1 3 301.431 -0.348 20 0 DBADHO CN1CCC2(CC1)NC(=O)N(CN1CC[C@@H](C[NH+](C)C)C1)C2=O ZINC000738221801 803937477 /nfs/dbraw/zinc/93/74/77/803937477.db2.gz COLVIDSKKPXECC-ZDUSSCGKSA-N 1 3 323.441 -0.156 20 0 DBADHO C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000763032263 804259465 /nfs/dbraw/zinc/25/94/65/804259465.db2.gz DELPUAQYORDUCT-IPYPFGDCSA-N 1 3 312.414 -0.785 20 0 DBADHO C[N@H+]1CC[C@](O)(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1 ZINC000763032263 804259467 /nfs/dbraw/zinc/25/94/67/804259467.db2.gz DELPUAQYORDUCT-IPYPFGDCSA-N 1 3 312.414 -0.785 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000766143879 804312459 /nfs/dbraw/zinc/31/24/59/804312459.db2.gz HFDHTMDRSLCCJE-HZPDHXFCSA-N 1 3 324.469 -0.319 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCOCCO)C[C@H]1C ZINC001284032536 804628222 /nfs/dbraw/zinc/62/82/22/804628222.db2.gz NJUISWZLECRERM-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCO ZINC001284477694 804715464 /nfs/dbraw/zinc/71/54/64/804715464.db2.gz QTGZERXIBSFPEM-KGLIPLIRSA-N 1 3 301.431 -0.348 20 0 DBADHO CN(CCOCC[NH2+][C@@H]1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001284853762 804777738 /nfs/dbraw/zinc/77/77/38/804777738.db2.gz BLWXSEISNHYDFT-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccon1 ZINC000806396138 804915484 /nfs/dbraw/zinc/91/54/84/804915484.db2.gz GUYWXNOEDWMAAG-UHFFFAOYSA-N 1 3 311.386 -0.757 20 0 DBADHO COCC[C@@H](N)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000884280087 807043237 /nfs/dbraw/zinc/04/32/37/807043237.db2.gz AYUMEUBOIBVLFR-ZJUUUORDSA-N 1 3 312.336 -0.698 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000817995864 805107221 /nfs/dbraw/zinc/10/72/21/805107221.db2.gz DYORRDNCJRZAFQ-BBRMVZONSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CCN(c2cc(CNCCS(C)(=O)=O)ccn2)CC1 ZINC000818960668 805118347 /nfs/dbraw/zinc/11/83/47/805118347.db2.gz FUDARQDGFRQHBE-UHFFFAOYSA-N 1 3 312.439 -0.032 20 0 DBADHO CN1CCN(c2cc(C[NH2+]CCS(C)(=O)=O)ccn2)CC1 ZINC000818960668 805118352 /nfs/dbraw/zinc/11/83/52/805118352.db2.gz FUDARQDGFRQHBE-UHFFFAOYSA-N 1 3 312.439 -0.032 20 0 DBADHO CC(C)N(C)CC(=O)NCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001292785038 805339596 /nfs/dbraw/zinc/33/95/96/805339596.db2.gz MYWSREZSSOOFGF-CQSZACIVSA-N 1 3 310.442 -0.099 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000827936152 805356824 /nfs/dbraw/zinc/35/68/24/805356824.db2.gz FSYKWXHFFQZSQE-IHRRRGAJSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000827936155 805357891 /nfs/dbraw/zinc/35/78/91/805357891.db2.gz FSYKWXHFFQZSQE-RDBSUJKOSA-N 1 3 324.425 -0.776 20 0 DBADHO [NH3+][C@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000828641348 805380352 /nfs/dbraw/zinc/38/03/52/805380352.db2.gz XUSIZQBYNLGCAO-CQSZACIVSA-N 1 3 308.426 -0.120 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN(C)CCOCCO ZINC000829444938 805395061 /nfs/dbraw/zinc/39/50/61/805395061.db2.gz PFVFSRKSYWKVTR-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN(C)CCOCCO ZINC000829444938 805395070 /nfs/dbraw/zinc/39/50/70/805395070.db2.gz PFVFSRKSYWKVTR-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000884560433 807056815 /nfs/dbraw/zinc/05/68/15/807056815.db2.gz XJUONEDOXDLNKA-VXGBXAGGSA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)C2 ZINC000884631220 807061880 /nfs/dbraw/zinc/06/18/80/807061880.db2.gz BUWUUKPCQJAUDQ-JJRVBVJISA-N 1 3 320.437 -0.345 20 0 DBADHO CCN(C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)[C@H]1CC[NH2+]C1 ZINC000884631339 807061995 /nfs/dbraw/zinc/06/19/95/807061995.db2.gz HERBEFAMDNWLOW-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C[C@H]1C[NH3+] ZINC000884631576 807062114 /nfs/dbraw/zinc/06/21/14/807062114.db2.gz PBLPZKIQZJQGGT-MRVWCRGKSA-N 1 3 308.426 -0.360 20 0 DBADHO CN1CCN(C(=O)C(=O)NCCOCCC[NH3+])CCC1(C)C ZINC000884819684 807080090 /nfs/dbraw/zinc/08/00/90/807080090.db2.gz IDLOEJOFWVLGDW-UHFFFAOYSA-N 1 3 314.430 -0.589 20 0 DBADHO CN1CCN(C[C@@H](O)C[NH2+]CCCCN2CCOCC2)CC1 ZINC001326147767 807153685 /nfs/dbraw/zinc/15/36/85/807153685.db2.gz UBEPCNJRKPBASW-INIZCTEOSA-N 1 3 314.474 -0.703 20 0 DBADHO [NH3+]CCCCn1cc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)nn1 ZINC001326317442 807169705 /nfs/dbraw/zinc/16/97/05/807169705.db2.gz AIFSXUMGSGHOJG-QWHCGFSZSA-N 1 3 322.413 -0.390 20 0 DBADHO CN1CCN(CCCCNC(=O)COC2CC[NH2+]CC2)CC1 ZINC001326394762 807177022 /nfs/dbraw/zinc/17/70/22/807177022.db2.gz PZGZPUHZKPWZDM-UHFFFAOYSA-N 1 3 312.458 -0.101 20 0 DBADHO C[C@H](O)CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001327036386 807235634 /nfs/dbraw/zinc/23/56/34/807235634.db2.gz VZNVGXAWIHTNAP-JSGCOSHPSA-N 1 3 310.398 -0.070 20 0 DBADHO CN1CCN(CCn2cc(CN3CCN(C)CC3)nn2)CC1 ZINC001327264998 807253748 /nfs/dbraw/zinc/25/37/48/807253748.db2.gz RORLBMYBWZHYQS-UHFFFAOYSA-N 1 3 307.446 -0.727 20 0 DBADHO CN1CCN(Cc2cn(CCN3CC[NH+](C)CC3)nn2)CC1 ZINC001327264998 807253755 /nfs/dbraw/zinc/25/37/55/807253755.db2.gz RORLBMYBWZHYQS-UHFFFAOYSA-N 1 3 307.446 -0.727 20 0 DBADHO CN1CCN(CCCNC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000899991767 807281005 /nfs/dbraw/zinc/28/10/05/807281005.db2.gz ZCZGBBWVDMWXGS-UHFFFAOYSA-N 1 3 324.469 -0.149 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327485647 807290274 /nfs/dbraw/zinc/29/02/74/807290274.db2.gz NIOFCDPPMPFRFY-CQSZACIVSA-N 1 3 324.425 -0.776 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)n1 ZINC001327615241 807313487 /nfs/dbraw/zinc/31/34/87/807313487.db2.gz VYJVYZUJZVOSDX-QMMMGPOBSA-N 1 3 301.297 -0.498 20 0 DBADHO CCN1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)CN1CCCC1=O ZINC001327771402 807335318 /nfs/dbraw/zinc/33/53/18/807335318.db2.gz CNASYMNDWLZMDV-STQMWFEESA-N 1 3 311.430 -0.432 20 0 DBADHO CNC(=O)CN1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036870087 815112820 /nfs/dbraw/zinc/11/28/20/815112820.db2.gz OODKFGXURQDRTB-KBPBESRZSA-N 1 3 320.437 -0.249 20 0 DBADHO CO[C@@H](C)CN(C)C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001328384367 807420837 /nfs/dbraw/zinc/42/08/37/807420837.db2.gz FQCFPMRMMCCXBL-ZDUSSCGKSA-N 1 3 316.446 -0.569 20 0 DBADHO COCCCNC(=O)[C@@H](C)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904315550 807424549 /nfs/dbraw/zinc/42/45/49/807424549.db2.gz CXMJCZJDDULEFZ-KFWWJZLASA-N 1 3 312.458 -0.118 20 0 DBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)C1 ZINC000904468387 807425877 /nfs/dbraw/zinc/42/58/77/807425877.db2.gz BDMYEYJSVOGJMD-WWGRRREGSA-N 1 3 308.426 -0.229 20 0 DBADHO NCC(=O)N1CCC[C@H](C[N@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)C1 ZINC000904468387 807425879 /nfs/dbraw/zinc/42/58/79/807425879.db2.gz BDMYEYJSVOGJMD-WWGRRREGSA-N 1 3 308.426 -0.229 20 0 DBADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC000905084055 807445062 /nfs/dbraw/zinc/44/50/62/807445062.db2.gz RZZWYRKJNKNEGX-KBPBESRZSA-N 1 3 313.442 -0.171 20 0 DBADHO C[C@H](CN1CCN(C)CC1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906601870 807491621 /nfs/dbraw/zinc/49/16/21/807491621.db2.gz LVBZIVUEBSYUNB-CQSZACIVSA-N 1 3 311.474 -0.768 20 0 DBADHO C[C@H](CN1CCN(C)CC1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906601870 807491625 /nfs/dbraw/zinc/49/16/25/807491625.db2.gz LVBZIVUEBSYUNB-CQSZACIVSA-N 1 3 311.474 -0.768 20 0 DBADHO C[C@@H](CN1CCN(C)CC1)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906601869 807491665 /nfs/dbraw/zinc/49/16/65/807491665.db2.gz LVBZIVUEBSYUNB-AWEZNQCLSA-N 1 3 311.474 -0.768 20 0 DBADHO C[C@@H](CN1CCN(C)CC1)NC(=O)C1CN(C)CC[N@@H+](C)C1 ZINC000906601869 807491666 /nfs/dbraw/zinc/49/16/66/807491666.db2.gz LVBZIVUEBSYUNB-AWEZNQCLSA-N 1 3 311.474 -0.768 20 0 DBADHO C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000908541782 807598984 /nfs/dbraw/zinc/59/89/84/807598984.db2.gz QPKSJUCRKLVWIO-GOEBONIOSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000908541782 807598989 /nfs/dbraw/zinc/59/89/89/807598989.db2.gz QPKSJUCRKLVWIO-GOEBONIOSA-N 1 3 313.442 -0.204 20 0 DBADHO CNS(=O)(=O)CCCN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC001329743201 807612183 /nfs/dbraw/zinc/61/21/83/807612183.db2.gz ONAWQUJPUVZZDF-YNEHKIRRSA-N 1 3 305.444 -0.328 20 0 DBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C[C@H](O)Cn1cccn1 ZINC000923346329 807659835 /nfs/dbraw/zinc/65/98/35/807659835.db2.gz RMRLSLFYWMKOMW-KBPBESRZSA-N 1 3 309.414 -0.437 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324058 807660254 /nfs/dbraw/zinc/66/02/54/807660254.db2.gz PYGUEYLZNVFDQK-OAHLLOKOSA-N 1 3 324.469 -0.149 20 0 DBADHO COC(=O)c1cn([C@@H]2CCN(C[C@H]3CC4(C[NH2+]C4)CO3)C2)nn1 ZINC000923377615 807662854 /nfs/dbraw/zinc/66/28/54/807662854.db2.gz VNIMINWIKMMLDH-VXGBXAGGSA-N 1 3 321.381 -0.310 20 0 DBADHO CCOCC[C@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923412756 807666246 /nfs/dbraw/zinc/66/62/46/807666246.db2.gz AQUYWGZAKNYWKY-RQJABVFESA-N 1 3 313.398 -0.359 20 0 DBADHO C[C@@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC[C@@H]1C[NH3+] ZINC000923498662 807674485 /nfs/dbraw/zinc/67/44/85/807674485.db2.gz KNMUOULJBMLCDU-UKRRQHHQSA-N 1 3 322.453 -0.016 20 0 DBADHO CC[C@@H]1CCCCN1CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923610479 807686908 /nfs/dbraw/zinc/68/69/08/807686908.db2.gz GFLADFYZSOLPCF-CYBMUJFWSA-N 1 3 304.460 -0.010 20 0 DBADHO CC[NH+](CC)CCO[C@@H]1CCN(S(=O)(=O)C2CNC2)C1 ZINC000923624480 807691973 /nfs/dbraw/zinc/69/19/73/807691973.db2.gz FISSVFMWBFGDPG-GFCCVEGCSA-N 1 3 305.444 -0.279 20 0 DBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)C2CNC2)CC[C@@H]1C(F)(F)F ZINC000923660672 807698160 /nfs/dbraw/zinc/69/81/60/807698160.db2.gz CSQWMYYPZNQATL-APPZFPTMSA-N 1 3 301.334 -0.253 20 0 DBADHO O=S(=O)(NC[C@H]1CCC[N@H+](CC2CC2)C1)N1CCNCC1 ZINC000923660434 807698225 /nfs/dbraw/zinc/69/82/25/807698225.db2.gz ZTGUEIOUACMFQR-CQSZACIVSA-N 1 3 316.471 -0.152 20 0 DBADHO O=S(=O)(NC[C@H]1CCC[N@@H+](CC2CC2)C1)N1CCNCC1 ZINC000923660434 807698228 /nfs/dbraw/zinc/69/82/28/807698228.db2.gz ZTGUEIOUACMFQR-CQSZACIVSA-N 1 3 316.471 -0.152 20 0 DBADHO CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)N2CCNCC2)C1 ZINC000923669192 807700717 /nfs/dbraw/zinc/70/07/17/807700717.db2.gz WUCJNKQIKGZWGN-ZDUSSCGKSA-N 1 3 304.460 -0.167 20 0 DBADHO [NH3+]C[C@H]1CN(S(=O)(=O)N2CCNCC2)C[C@@H]1C(F)(F)F ZINC000923671212 807700802 /nfs/dbraw/zinc/70/08/02/807700802.db2.gz ONFORNVNEKBSGN-IUCAKERBSA-N 1 3 316.349 -0.795 20 0 DBADHO C[C@H]1[C@H](NC(=O)N2C[C@@H](n3ccnn3)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000925347063 807736684 /nfs/dbraw/zinc/73/66/84/807736684.db2.gz WTRGKXXMZUMPOC-RFQIPJPRSA-N 1 3 321.429 -0.133 20 0 DBADHO C[C@H]1[C@H](NC(=O)N2C[C@@H](n3ccnn3)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000925347063 807736689 /nfs/dbraw/zinc/73/66/89/807736689.db2.gz WTRGKXXMZUMPOC-RFQIPJPRSA-N 1 3 321.429 -0.133 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC001330702010 807742495 /nfs/dbraw/zinc/74/24/95/807742495.db2.gz PUPRRMHGHCLPMT-XDQVBPFNSA-N 1 3 308.426 -0.347 20 0 DBADHO COC(=O)C1CCN(CCCNC(=O)[C@@H]2[NH2+]C[C@@H]3C[C@@H]32)CC1 ZINC001330702430 807742921 /nfs/dbraw/zinc/74/29/21/807742921.db2.gz UGFFWDQRDAQRAK-MELADBBJSA-N 1 3 309.410 -0.014 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CC[C@@H]1C[NH3+] ZINC000926327723 807759436 /nfs/dbraw/zinc/75/94/36/807759436.db2.gz IBKDNBWQQHYTDX-ZIAGYGMSSA-N 1 3 310.442 -0.016 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CC[C@H]1C[NH3+] ZINC000926358790 807764787 /nfs/dbraw/zinc/76/47/87/807764787.db2.gz FZSKEKLIPDNYQL-OLZOCXBDSA-N 1 3 310.442 -0.018 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001331103128 807770280 /nfs/dbraw/zinc/77/02/80/807770280.db2.gz ITPSTOXNFMRZQL-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO Cn1ccn2c(CC[NH2+]C3[C@@H]4CC[C@H]3CN(C)C4)nnc2c1=O ZINC000926872628 807779718 /nfs/dbraw/zinc/77/97/18/807779718.db2.gz WXWDCCCTQUGAED-ONXXMXGDSA-N 1 3 316.409 -0.100 20 0 DBADHO Cn1ccn2c(CCNC3[C@@H]4CC[C@H]3C[N@@H+](C)C4)nnc2c1=O ZINC000926872628 807779724 /nfs/dbraw/zinc/77/97/24/807779724.db2.gz WXWDCCCTQUGAED-ONXXMXGDSA-N 1 3 316.409 -0.100 20 0 DBADHO Cn1ccn2c(CCNC3[C@@H]4CC[C@H]3C[N@H+](C)C4)nnc2c1=O ZINC000926872628 807779727 /nfs/dbraw/zinc/77/97/27/807779727.db2.gz WXWDCCCTQUGAED-ONXXMXGDSA-N 1 3 316.409 -0.100 20 0 DBADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928577665 807815731 /nfs/dbraw/zinc/81/57/31/807815731.db2.gz JELTUUNTDKVKJR-SYQHCUMBSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928577665 807815739 /nfs/dbraw/zinc/81/57/39/807815739.db2.gz JELTUUNTDKVKJR-SYQHCUMBSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928577665 807815747 /nfs/dbraw/zinc/81/57/47/807815747.db2.gz JELTUUNTDKVKJR-SYQHCUMBSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928577665 807815754 /nfs/dbraw/zinc/81/57/54/807815754.db2.gz JELTUUNTDKVKJR-SYQHCUMBSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928577664 807816051 /nfs/dbraw/zinc/81/60/51/807816051.db2.gz JELTUUNTDKVKJR-KPWCQOOUSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928577664 807816058 /nfs/dbraw/zinc/81/60/58/807816058.db2.gz JELTUUNTDKVKJR-KPWCQOOUSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928577664 807816068 /nfs/dbraw/zinc/81/60/68/807816068.db2.gz JELTUUNTDKVKJR-KPWCQOOUSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@H]1CNC(=O)[C@H]1CC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928577664 807816077 /nfs/dbraw/zinc/81/60/77/807816077.db2.gz JELTUUNTDKVKJR-KPWCQOOUSA-N 1 3 308.426 -0.347 20 0 DBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)C1CC1 ZINC000929712436 807846943 /nfs/dbraw/zinc/84/69/43/807846943.db2.gz OHBPKWDSIVTDPE-BLLLJJGKSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1)C1CC1 ZINC000929712436 807846951 /nfs/dbraw/zinc/84/69/51/807846951.db2.gz OHBPKWDSIVTDPE-BLLLJJGKSA-N 1 3 308.426 -0.393 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C1 ZINC000931019079 807904932 /nfs/dbraw/zinc/90/49/32/807904932.db2.gz UDADNCGQWPRDKD-GRDNDAEWSA-N 1 3 322.453 -0.003 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@]3(C)C2)C1 ZINC000931019079 807904937 /nfs/dbraw/zinc/90/49/37/807904937.db2.gz UDADNCGQWPRDKD-GRDNDAEWSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1C[C@H](O)C[C@@]1(C)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001332390227 807911279 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-0.114 20 0 DBADHO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CN4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048829181 817453389 /nfs/dbraw/zinc/45/33/89/817453389.db2.gz KDSRINPESHIFFT-QXSJWSMHSA-N 1 3 323.437 -0.114 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048828971 817454447 /nfs/dbraw/zinc/45/44/47/817454447.db2.gz FESIVHMDFBRWMX-UXXRCYHCSA-N 1 3 322.453 -0.019 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048828971 817454452 /nfs/dbraw/zinc/45/44/52/817454452.db2.gz FESIVHMDFBRWMX-UXXRCYHCSA-N 1 3 322.453 -0.019 20 0 DBADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863490 817462778 /nfs/dbraw/zinc/46/27/78/817462778.db2.gz DKXDMJFFXRPFKY-LXTVHRRPSA-N 1 3 322.453 -0.019 20 0 DBADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C3CC3)N(C)C)C[C@H]2C1 ZINC001048863490 817462785 /nfs/dbraw/zinc/46/27/85/817462785.db2.gz DKXDMJFFXRPFKY-LXTVHRRPSA-N 1 3 322.453 -0.019 20 0 DBADHO 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/nfs/dbraw/zinc/25/95/25/821259525.db2.gz OAZSSSMMOCFZTF-CQSZACIVSA-N 1 3 311.426 -0.328 20 0 DBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001074767378 821432871 /nfs/dbraw/zinc/43/28/71/821432871.db2.gz VEAWQWWDRLCJEL-CORIIIEPSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)C2=O)CCN1C(=O)CN1CCCC1 ZINC001075108831 821487152 /nfs/dbraw/zinc/48/71/52/821487152.db2.gz QDGAOXWCSRSWMF-MELADBBJSA-N 1 3 308.426 -0.108 20 0 DBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418292 822106767 /nfs/dbraw/zinc/10/67/67/822106767.db2.gz MNUBLSZREIORGN-NTTUHNMPSA-N 1 3 309.410 -0.581 20 0 DBADHO CC(C)N1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418292 822106771 /nfs/dbraw/zinc/10/67/71/822106771.db2.gz MNUBLSZREIORGN-NTTUHNMPSA-N 1 3 309.410 -0.581 20 0 DBADHO O=C(N[C@@H]1CN(C[C@@H]2CCOC2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078011816 822316717 /nfs/dbraw/zinc/31/67/17/822316717.db2.gz JJCUKYIFMVHRHI-BFHYXJOUSA-N 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C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082859982 824468734 /nfs/dbraw/zinc/46/87/34/824468734.db2.gz SMGDSSFSGFECEI-RBSFLKMASA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001082863420 824468786 /nfs/dbraw/zinc/46/87/86/824468786.db2.gz BABZKSOPZQTLRG-MGPQQGTHSA-N 1 3 320.437 -0.251 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+](CCOCCO)C[C@H]32)CCC1 ZINC001114404511 828688027 /nfs/dbraw/zinc/68/80/27/828688027.db2.gz AUGSSQDLQDGKEI-WDNDVIMCSA-N 1 3 311.426 -0.474 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CCOCCO)C[C@H]32)CCC1 ZINC001114404511 828688031 /nfs/dbraw/zinc/68/80/31/828688031.db2.gz AUGSSQDLQDGKEI-WDNDVIMCSA-N 1 3 311.426 -0.474 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001114411867 828690174 /nfs/dbraw/zinc/69/01/74/828690174.db2.gz MBDAXYABNLGVIR-KNCOVGOOSA-N 1 3 320.437 -0.204 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001114411867 828690177 /nfs/dbraw/zinc/69/01/77/828690177.db2.gz MBDAXYABNLGVIR-KNCOVGOOSA-N 1 3 320.437 -0.204 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)C1CCC1 ZINC001114412501 828690263 /nfs/dbraw/zinc/69/02/63/828690263.db2.gz ZDVDJZUWHLWOAL-COMQUAJESA-N 1 3 306.410 -0.594 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)C1CCC1 ZINC001114412501 828690267 /nfs/dbraw/zinc/69/02/67/828690267.db2.gz ZDVDJZUWHLWOAL-COMQUAJESA-N 1 3 306.410 -0.594 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114443201 828695781 /nfs/dbraw/zinc/69/57/81/828695781.db2.gz XOXIMZRYYVLJDG-AHDPXTMNSA-N 1 3 313.442 -0.374 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)N(C)C ZINC001114443201 828695786 /nfs/dbraw/zinc/69/57/86/828695786.db2.gz XOXIMZRYYVLJDG-AHDPXTMNSA-N 1 3 313.442 -0.374 20 0 DBADHO O=C(N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083958738 824842226 /nfs/dbraw/zinc/84/22/26/824842226.db2.gz SWCIBLCKQSFRLB-ZNMIVQPWSA-N 1 3 323.437 -0.187 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114795183 828744325 /nfs/dbraw/zinc/74/43/25/828744325.db2.gz XOXIMZRYYVLJDG-VQJWOFKYSA-N 1 3 313.442 -0.374 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)N(C)C ZINC001114795183 828744328 /nfs/dbraw/zinc/74/43/28/828744328.db2.gz XOXIMZRYYVLJDG-VQJWOFKYSA-N 1 3 313.442 -0.374 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(CCN3CCCC3=O)C[C@H]21 ZINC001114773043 828740970 /nfs/dbraw/zinc/74/09/70/828740970.db2.gz XXNKIZVNQQKKSL-VIKVFOODSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001086478077 825272416 /nfs/dbraw/zinc/27/24/16/825272416.db2.gz HGHSETAAHFULLK-ABHRYQDASA-N 1 3 320.441 -0.003 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001086478077 825272423 /nfs/dbraw/zinc/27/24/23/825272423.db2.gz HGHSETAAHFULLK-ABHRYQDASA-N 1 3 320.441 -0.003 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114997331 828773116 /nfs/dbraw/zinc/77/31/16/828773116.db2.gz JLOYHQWXASFHGT-SFDCQRBFSA-N 1 3 308.426 -0.347 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21 ZINC001114997331 828773122 /nfs/dbraw/zinc/77/31/22/828773122.db2.gz JLOYHQWXASFHGT-SFDCQRBFSA-N 1 3 308.426 -0.347 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001115118694 828788766 /nfs/dbraw/zinc/78/87/66/828788766.db2.gz KHDMMPLAIAIJQN-NYTXWWLZSA-N 1 3 311.426 -0.617 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)C1 ZINC001115118694 828788771 /nfs/dbraw/zinc/78/87/71/828788771.db2.gz KHDMMPLAIAIJQN-NYTXWWLZSA-N 1 3 311.426 -0.617 20 0 DBADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001115144280 828792875 /nfs/dbraw/zinc/79/28/75/828792875.db2.gz ULWDZZONSVARFT-SFDCQRBFSA-N 1 3 308.426 -0.347 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001115154665 828794207 /nfs/dbraw/zinc/79/42/07/828794207.db2.gz OQPSDGTXMWUOLS-SFDCQRBFSA-N 1 3 308.426 -0.347 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001115154665 828794209 /nfs/dbraw/zinc/79/42/09/828794209.db2.gz OQPSDGTXMWUOLS-SFDCQRBFSA-N 1 3 308.426 -0.347 20 0 DBADHO CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)N1CCCC1 ZINC001090487980 825718582 /nfs/dbraw/zinc/71/85/82/825718582.db2.gz BOYLQOIGRQLVNF-ZIAGYGMSSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)(C(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)N1CCCC1 ZINC001090487980 825718590 /nfs/dbraw/zinc/71/85/90/825718590.db2.gz BOYLQOIGRQLVNF-ZIAGYGMSSA-N 1 3 313.442 -0.205 20 0 DBADHO COCCN1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090604492 825761201 /nfs/dbraw/zinc/76/12/01/825761201.db2.gz CIAOOGIHRUVGDC-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO COCCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090604494 825761448 /nfs/dbraw/zinc/76/14/48/825761448.db2.gz CIAOOGIHRUVGDC-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO COCCN1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090604489 825761486 /nfs/dbraw/zinc/76/14/86/825761486.db2.gz CIAOOGIHRUVGDC-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(CCCO)C[C@H]2O)CC1 ZINC001090611059 825763164 /nfs/dbraw/zinc/76/31/64/825763164.db2.gz YJXMIQPLCUGDNO-HUUCEWRRSA-N 1 3 313.442 -0.348 20 0 DBADHO CCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090639058 825772246 /nfs/dbraw/zinc/77/22/46/825772246.db2.gz VCPWMEFDKNAWHM-KBPBESRZSA-N 1 3 309.414 -0.370 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001115291353 828823253 /nfs/dbraw/zinc/82/32/53/828823253.db2.gz DURDLVJJRRTDPP-KNCOVGOOSA-N 1 3 320.437 -0.203 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115304896 828827529 /nfs/dbraw/zinc/82/75/29/828827529.db2.gz WXIRIRYQGRVIGF-ZAZJYDDPSA-N 1 3 322.409 -0.822 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115304896 828827538 /nfs/dbraw/zinc/82/75/38/828827538.db2.gz WXIRIRYQGRVIGF-ZAZJYDDPSA-N 1 3 322.409 -0.822 20 0 DBADHO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCN(CCO)C[C@@H]2O)c1 ZINC001090827454 825861162 /nfs/dbraw/zinc/86/11/62/825861162.db2.gz JPQSRWDUYPTOGM-HOTGVXAUSA-N 1 3 321.421 -0.095 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001161226437 832991853 /nfs/dbraw/zinc/99/18/53/832991853.db2.gz HQENHGDHKWXGJK-UHFFFAOYSA-N 1 3 322.475 -0.638 20 0 DBADHO CC(C)(C)CN(C(=O)[C@@H]1COC2(CNC2)CN1)C1CC[NH2+]CC1 ZINC001161259110 832995807 /nfs/dbraw/zinc/99/58/07/832995807.db2.gz WCEHQFJQRVYGEZ-AWEZNQCLSA-N 1 3 324.469 -0.057 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCC[C@H](Oc2ncccn2)C1 ZINC001161297335 832998666 /nfs/dbraw/zinc/99/86/66/832998666.db2.gz XAASADATYQVENS-STQMWFEESA-N 1 3 317.393 -0.345 20 0 DBADHO COc1cc(N2CCN(C(=O)[C@@H](N)CCC[NH3+])CC2)ccn1 ZINC001161305954 833001715 /nfs/dbraw/zinc/00/17/15/833001715.db2.gz DJLFSGNIGWWUJA-ZDUSSCGKSA-N 1 3 307.398 -0.195 20 0 DBADHO COc1cc(C)nc(N(C(=O)[C@@H](N)CN)C2CC[NH2+]CC2)n1 ZINC001161310079 833002102 /nfs/dbraw/zinc/00/21/02/833002102.db2.gz YCZUYMAGRPJPIV-NSHDSACASA-N 1 3 308.386 -0.835 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093134310 826091130 /nfs/dbraw/zinc/09/11/30/826091130.db2.gz ZVYFLQHBIKTQBO-HZSPNIEDSA-N 1 3 322.453 -0.099 20 0 DBADHO C[C@@H]1CN([C@@H]2CCNC2=O)C[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001093133080 826091300 /nfs/dbraw/zinc/09/13/00/826091300.db2.gz OZBMSVPVAJMDLK-MGPQQGTHSA-N 1 3 320.437 -0.345 20 0 DBADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001093193730 826099057 /nfs/dbraw/zinc/09/90/57/826099057.db2.gz MIHBARUXZFGUFS-RBSFLKMASA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@@H]1CN(CC(=O)N2CCC2)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001093193730 826099062 /nfs/dbraw/zinc/09/90/62/826099062.db2.gz MIHBARUXZFGUFS-RBSFLKMASA-N 1 3 322.453 -0.146 20 0 DBADHO CC(C)N(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)[C@H]1CC[NH2+]C1 ZINC001161350911 833007351 /nfs/dbraw/zinc/00/73/51/833007351.db2.gz DRKPHVXYBWKSDK-RYUDHWBXSA-N 1 3 315.439 -0.638 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161371561 833008679 /nfs/dbraw/zinc/00/86/79/833008679.db2.gz DIEUKTYRGSUWAO-KBPBESRZSA-N 1 3 306.414 -0.697 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161374211 833008705 /nfs/dbraw/zinc/00/87/05/833008705.db2.gz UOTMLLBYBRZZJV-ZFWWWQNUSA-N 1 3 320.441 -0.686 20 0 DBADHO [NH3+]C1CCN([C@H]2CCN(C(=O)c3[nH]nc4c3CNC4)C2)CC1 ZINC001161380025 833010177 /nfs/dbraw/zinc/01/01/77/833010177.db2.gz IRGXTFRMGYQAEY-NSHDSACASA-N 1 3 304.398 -0.350 20 0 DBADHO [NH3+]C1CCN([C@H]2CCN(C(=O)c3[nH]nc4c3CNCC4)C2)CC1 ZINC001161381935 833010897 /nfs/dbraw/zinc/01/08/97/833010897.db2.gz RVNYBLBCEMQQNF-LBPRGKRZSA-N 1 3 318.425 -0.307 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161381790 833011387 /nfs/dbraw/zinc/01/13/87/833011387.db2.gz QBBJYDQZUIQJEH-KBPBESRZSA-N 1 3 307.398 -0.397 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161380846 833011551 /nfs/dbraw/zinc/01/15/51/833011551.db2.gz WBVUTKDAGRHOEK-BHVCSQLQSA-N 1 3 316.471 -0.894 20 0 DBADHO O=C([C@H]1CNCCN1)N(c1ccncc1F)C1CC[NH2+]CC1 ZINC001161386637 833012301 /nfs/dbraw/zinc/01/23/01/833012301.db2.gz KYKOPRMNWOSGOH-CYBMUJFWSA-N 1 3 307.373 -0.133 20 0 DBADHO COc1cc(N(C(=O)[C@@H]2CNCCN2)C2CC[NH2+]CC2)ccn1 ZINC001161386777 833012741 /nfs/dbraw/zinc/01/27/41/833012741.db2.gz VQDXBHIWVWTEPQ-AWEZNQCLSA-N 1 3 319.409 -0.263 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1cn(C)nn1 ZINC001094219903 826208169 /nfs/dbraw/zinc/20/81/69/826208169.db2.gz VYCNAXRFMXALTC-HZSPNIEDSA-N 1 3 320.441 -0.049 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1cn(C)nn1 ZINC001094219903 826208175 /nfs/dbraw/zinc/20/81/75/826208175.db2.gz VYCNAXRFMXALTC-HZSPNIEDSA-N 1 3 320.441 -0.049 20 0 DBADHO CCCCOC(=O)[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)C1 ZINC001161460662 833021100 /nfs/dbraw/zinc/02/11/00/833021100.db2.gz MQLARZQBKOTADQ-STQMWFEESA-N 1 3 309.410 -0.013 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)C[C@H]1CNCCO1)CC2 ZINC001161480141 833023842 /nfs/dbraw/zinc/02/38/42/833023842.db2.gz SFNLUZDRLXETQY-SLEUVZQESA-N 1 3 311.382 -0.882 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC[C@H]21 ZINC001161483809 833024923 /nfs/dbraw/zinc/02/49/23/833024923.db2.gz PDHXUOZPGMADNA-FRRDWIJNSA-N 1 3 306.410 -0.735 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)CC[C@@H]21 ZINC001161484917 833025003 /nfs/dbraw/zinc/02/50/03/833025003.db2.gz YUCSEUSIQVYTMP-VWPFQQQWSA-N 1 3 320.437 -0.345 20 0 DBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N1C[C@H]([NH3+])C2(COC2)C1 ZINC001161508724 833029250 /nfs/dbraw/zinc/02/92/50/833029250.db2.gz GLGRBXHBLWKBBG-MNOVXSKESA-N 1 3 313.398 -0.378 20 0 DBADHO C[C@]1(C[NH3+])CCCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001161490331 833026299 /nfs/dbraw/zinc/02/62/99/833026299.db2.gz YTYMZAXLNXUSSD-DGCLKSJQSA-N 1 3 315.439 -0.650 20 0 DBADHO CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CC[NH2+]C2(CC2)C1 ZINC001161551044 833034157 /nfs/dbraw/zinc/03/41/57/833034157.db2.gz ZHCHWAAMFKMXDU-NSHDSACASA-N 1 3 312.414 -0.791 20 0 DBADHO Cn1nncc1CN1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274129416 833034487 /nfs/dbraw/zinc/03/44/87/833034487.db2.gz CNONAWUAFAJATK-HNNXBMFYSA-N 1 3 306.414 -0.199 20 0 DBADHO COC(=O)CC[C@H]1COCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001161570892 833036042 /nfs/dbraw/zinc/03/60/42/833036042.db2.gz LTMHPZWNVOJEAG-QWRGUYRKSA-N 1 3 319.427 -0.814 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001161602297 833041041 /nfs/dbraw/zinc/04/10/41/833041041.db2.gz WANPVEJDQTWLMG-MELADBBJSA-N 1 3 316.421 -0.286 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCC([NH+](CCO)CCO)CC1)N(C)C ZINC001098399257 826476920 /nfs/dbraw/zinc/47/69/20/826476920.db2.gz GIUVQHOVWJAPIR-HNNXBMFYSA-N 1 3 315.458 -0.150 20 0 DBADHO CC[C@H](C(=O)N1CCC([N@H+](CCO)CCCO)CC1)N(C)C ZINC001098404151 826478390 /nfs/dbraw/zinc/47/83/90/826478390.db2.gz FIBZEKFJBMCNMA-OAHLLOKOSA-N 1 3 315.458 -0.006 20 0 DBADHO CC[C@H](C(=O)N1CCC([N@@H+](CCO)CCCO)CC1)N(C)C ZINC001098404151 826478392 /nfs/dbraw/zinc/47/83/92/826478392.db2.gz FIBZEKFJBMCNMA-OAHLLOKOSA-N 1 3 315.458 -0.006 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098572440 826500122 /nfs/dbraw/zinc/50/01/22/826500122.db2.gz HWQFKDWGXXXHHU-UHFFFAOYSA-N 1 3 301.431 -0.396 20 0 DBADHO C[NH+](C)CCN1C(=O)C[C@@]2(CCCN(Cc3nnc[nH]3)C2)C1=O ZINC001274356248 833068487 /nfs/dbraw/zinc/06/84/87/833068487.db2.gz QRTGARYAGHQGTH-OAHLLOKOSA-N 1 3 320.397 -0.293 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099341726 826564163 /nfs/dbraw/zinc/56/41/63/826564163.db2.gz QRHQJONCOSXYGR-HBNTYKKESA-N 1 3 309.332 -0.091 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099341726 826564165 /nfs/dbraw/zinc/56/41/65/826564165.db2.gz QRHQJONCOSXYGR-HBNTYKKESA-N 1 3 309.332 -0.091 20 0 DBADHO CN1CC[C@@H](NC/C=C\CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001274511635 833088305 /nfs/dbraw/zinc/08/83/05/833088305.db2.gz PTNXJLKGCGLZTL-XQJDBVBESA-N 1 3 306.410 -0.425 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099894127 826715517 /nfs/dbraw/zinc/71/55/17/826715517.db2.gz FUTXWLRRAYFCJE-STQMWFEESA-N 1 3 301.431 -0.350 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001099894127 826715525 /nfs/dbraw/zinc/71/55/25/826715525.db2.gz FUTXWLRRAYFCJE-STQMWFEESA-N 1 3 301.431 -0.350 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973457 826751973 /nfs/dbraw/zinc/75/19/73/826751973.db2.gz DHOILDCMWUWXBM-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099986982 826760958 /nfs/dbraw/zinc/76/09/58/826760958.db2.gz RXQMIPKZXLBRGR-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(C)CCN1CC[C@]2(CCC[N@H+](C[C@H](O)CO)CC2)C1=O ZINC001274566357 833101446 /nfs/dbraw/zinc/10/14/46/833101446.db2.gz YJJWRDZXDKPSGC-GOEBONIOSA-N 1 3 313.442 -0.394 20 0 DBADHO CN(C)CCN1CC[C@]2(CCC[N@@H+](C[C@H](O)CO)CC2)C1=O ZINC001274566357 833101449 /nfs/dbraw/zinc/10/14/49/833101449.db2.gz YJJWRDZXDKPSGC-GOEBONIOSA-N 1 3 313.442 -0.394 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@H+](CCCOC)C[C@@H]1O ZINC001100080869 826833559 /nfs/dbraw/zinc/83/35/59/826833559.db2.gz NNHVAVJENPINKA-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@@H]1O ZINC001100080869 826833573 /nfs/dbraw/zinc/83/35/73/826833573.db2.gz NNHVAVJENPINKA-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCC[N@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100082923 826836104 /nfs/dbraw/zinc/83/61/04/826836104.db2.gz KCAQKLMVXLIFAF-ZIAGYGMSSA-N 1 3 301.431 -0.348 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100082923 826836113 /nfs/dbraw/zinc/83/61/13/826836113.db2.gz KCAQKLMVXLIFAF-ZIAGYGMSSA-N 1 3 301.431 -0.348 20 0 DBADHO CCOCC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162848671 833120909 /nfs/dbraw/zinc/12/09/09/833120909.db2.gz AZDPGRBLDDHPLP-NPCAHTBFSA-N 1 3 311.426 -0.018 20 0 DBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872427 833122169 /nfs/dbraw/zinc/12/21/69/833122169.db2.gz RFXMEKXSUCCOOF-MFOWVQHXSA-N 1 3 324.425 -0.918 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC1CC([NH2+]CC(N)=O)C1 ZINC001100377631 826951464 /nfs/dbraw/zinc/95/14/64/826951464.db2.gz GVQVIBIPKBRZLS-MCIGGMRASA-N 1 3 302.394 -0.364 20 0 DBADHO CN(C)C1(C(=O)NCC2CC([NH2+]CCOCCO)C2)CCC1 ZINC001100404732 826958713 /nfs/dbraw/zinc/95/87/13/826958713.db2.gz QSLWDDIGUGQPSW-UHFFFAOYSA-N 1 3 313.442 -0.036 20 0 DBADHO CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H](C2CC2)N(C)C)C1 ZINC001100407897 826959732 /nfs/dbraw/zinc/95/97/32/826959732.db2.gz NOZKZXXRHRBCNA-ABIUDSBCSA-N 1 3 310.442 -0.053 20 0 DBADHO C[NH+](C)CCCC(=O)NCC1CC(NCCS(C)(=O)=O)C1 ZINC001100619654 826991341 /nfs/dbraw/zinc/99/13/41/826991341.db2.gz AKOGAZGLXAFPIO-UHFFFAOYSA-N 1 3 319.471 -0.143 20 0 DBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100769535 827019944 /nfs/dbraw/zinc/01/99/44/827019944.db2.gz ORAZDLUCYGMUNB-UHFFFAOYSA-N 1 3 319.471 -0.143 20 0 DBADHO CCN(CC)CC(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100769753 827020784 /nfs/dbraw/zinc/02/07/84/827020784.db2.gz ZJWXCIKCIYIVCT-UHFFFAOYSA-N 1 3 313.402 -0.993 20 0 DBADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@H+](CCN(C)C)C[C@@H]12 ZINC001274981523 833144954 /nfs/dbraw/zinc/14/49/54/833144954.db2.gz KVMCSPPEFKFYRD-GJZGRUSLSA-N 1 3 324.469 -0.293 20 0 DBADHO COCCN1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001274981523 833144959 /nfs/dbraw/zinc/14/49/59/833144959.db2.gz KVMCSPPEFKFYRD-GJZGRUSLSA-N 1 3 324.469 -0.293 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101477221 827109884 /nfs/dbraw/zinc/10/98/84/827109884.db2.gz IZWGGXUIKVQCTM-CPUCHLNUSA-N 1 3 322.453 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101477221 827109887 /nfs/dbraw/zinc/10/98/87/827109887.db2.gz IZWGGXUIKVQCTM-CPUCHLNUSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1CN([C@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320541 827198221 /nfs/dbraw/zinc/19/82/21/827198221.db2.gz HNEALYCWNLIZIH-MCIONIFRSA-N 1 3 310.442 -0.147 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001102475363 827211312 /nfs/dbraw/zinc/21/13/12/827211312.db2.gz KPBVKUUTCYYUMD-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@@H]2CCNC2=O)C[C@H]1C ZINC001102475363 827211316 /nfs/dbraw/zinc/21/13/16/827211316.db2.gz KPBVKUUTCYYUMD-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(c1ccc2c([C@@H]3CCC[NH2+]3)nnn2c1)S(=O)(=O)CCN ZINC001164297212 833203797 /nfs/dbraw/zinc/20/37/97/833203797.db2.gz XUMGRULKOZCOKD-NSHDSACASA-N 1 3 324.410 -0.122 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C[NH2+][C@H]2CCNC2=O)[C@H](C)C1 ZINC001106910868 827685434 /nfs/dbraw/zinc/68/54/34/827685434.db2.gz SQBKIDNKRZTVPE-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO c1nc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc2c1CNCC2 ZINC001165344812 833242632 /nfs/dbraw/zinc/24/26/32/833242632.db2.gz TZOHFPMLGJSLQD-INIZCTEOSA-N 1 3 319.409 -0.292 20 0 DBADHO NCc1cc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)ncn1 ZINC001165312176 833240550 /nfs/dbraw/zinc/24/05/50/833240550.db2.gz QHQODRNCZIFQSF-UHFFFAOYSA-N 1 3 300.370 -0.374 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1c1cc2c(nn1)CCNC2 ZINC001165407727 833245661 /nfs/dbraw/zinc/24/56/61/833245661.db2.gz UTSHLHNFXURLSL-FPMFFAJLSA-N 1 3 317.393 -0.148 20 0 DBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CC(=O)NC(N)=O)C1 ZINC001166764911 833280646 /nfs/dbraw/zinc/28/06/46/833280646.db2.gz NZUUMJBMVAHZMZ-UHFFFAOYSA-N 1 3 313.402 -0.991 20 0 DBADHO C[C@H]([NH2+]CCCNC(=O)CN1CC[C@@H](C)C1)C(=O)NC(N)=O ZINC001166677315 833277403 /nfs/dbraw/zinc/27/74/03/833277403.db2.gz HPIURQZLUIBFTH-MNOVXSKESA-N 1 3 313.402 -0.993 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001166676828 833277644 /nfs/dbraw/zinc/27/76/44/833277644.db2.gz CYZZTXRFLFDLRM-NEPJUHHUSA-N 1 3 310.398 -0.771 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1 ZINC001166677382 833277746 /nfs/dbraw/zinc/27/77/46/833277746.db2.gz IOCJSINCZOQDAJ-ZDUSSCGKSA-N 1 3 319.471 -0.141 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001166852308 833283822 /nfs/dbraw/zinc/28/38/22/833283822.db2.gz OXXPALKKKJGXKA-LBPRGKRZSA-N 1 3 307.460 -0.143 20 0 DBADHO [NH3+]CCc1nnn(-c2cncc([C@H]3CN4CCC3CC4)n2)n1 ZINC001167790075 833309974 /nfs/dbraw/zinc/30/99/74/833309974.db2.gz CMMXPRWSGBOZQS-NSHDSACASA-N 1 3 300.370 -0.237 20 0 DBADHO C[NH2+]CCCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001118545477 829102841 /nfs/dbraw/zinc/10/28/41/829102841.db2.gz GEPMNAPTQHPUGM-ZDUSSCGKSA-N 1 3 312.414 -0.918 20 0 DBADHO C[NH2+]CCCNC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001118545475 829103213 /nfs/dbraw/zinc/10/32/13/829103213.db2.gz GEPMNAPTQHPUGM-CYBMUJFWSA-N 1 3 312.414 -0.918 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001171770680 833374683 /nfs/dbraw/zinc/37/46/83/833374683.db2.gz XISACUPHEPIACB-AWEZNQCLSA-N 1 3 311.430 -0.318 20 0 DBADHO CCn1nncc1CNCCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303257 833368628 /nfs/dbraw/zinc/36/86/28/833368628.db2.gz CHSNQZFMJXKMJL-UHFFFAOYSA-N 1 3 306.414 -0.010 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001171770646 833374778 /nfs/dbraw/zinc/37/47/78/833374778.db2.gz WGXMVYURUBMVBZ-SNVBAGLBSA-N 1 3 301.391 -0.993 20 0 DBADHO C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC001119409454 829258264 /nfs/dbraw/zinc/25/82/64/829258264.db2.gz OIMLDFBQTCCATN-MQYQWHSLSA-N 1 3 308.426 -0.204 20 0 DBADHO C[NH+](C)[C@@H]1CC[C@H]2CN(C(=O)C(=O)N3CCCNCC3)C[C@H]2C1 ZINC001120270641 829345504 /nfs/dbraw/zinc/34/55/04/829345504.db2.gz OJDFXPXRDSHMJM-RRFJBIMHSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+]CCS(C)(=O)=O)C1 ZINC001276227447 833413215 /nfs/dbraw/zinc/41/32/15/833413215.db2.gz SVUDQQMBKGWDAV-CYBMUJFWSA-N 1 3 319.471 -0.189 20 0 DBADHO CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@@H]1CN2CCC1CC2 ZINC001122102934 829548214 /nfs/dbraw/zinc/54/82/14/829548214.db2.gz CJYRDMWEYYVJNN-UONOGXRCSA-N 1 3 308.426 -0.264 20 0 DBADHO CCS(=O)(=O)NCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176975446 833442574 /nfs/dbraw/zinc/44/25/74/833442574.db2.gz RHXQPXAHNWMFQF-UHFFFAOYSA-N 1 3 322.475 -0.638 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCCNC(=O)CN(C)C(C)C ZINC001176971634 833442802 /nfs/dbraw/zinc/44/28/02/833442802.db2.gz FTFVICNNSZIDKR-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176985978 833444828 /nfs/dbraw/zinc/44/48/28/833444828.db2.gz AIGJYDRJKTZYHX-OLZOCXBDSA-N 1 3 324.425 -0.238 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124835979 829793734 /nfs/dbraw/zinc/79/37/34/829793734.db2.gz DFPDKXJHCBXMDX-GHMZBOCLSA-N 1 3 313.402 -0.979 20 0 DBADHO COCCCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124866507 829796396 /nfs/dbraw/zinc/79/63/96/829796396.db2.gz DVHJNXQVAHCOLE-STQMWFEESA-N 1 3 314.430 -0.672 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1CCN(C(=O)CN(C)C(C)C)[C@H]1C ZINC001180226767 833573782 /nfs/dbraw/zinc/57/37/82/833573782.db2.gz LERHBDBEMRCGKR-IHRRRGAJSA-N 1 3 301.431 -0.087 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001127081848 829982446 /nfs/dbraw/zinc/98/24/46/829982446.db2.gz DOINJGWSBLFVFF-GHMZBOCLSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001127081848 829982452 /nfs/dbraw/zinc/98/24/52/829982452.db2.gz DOINJGWSBLFVFF-GHMZBOCLSA-N 1 3 313.402 -0.852 20 0 DBADHO COC[C@H](O)C[NH2+]CCNC(=O)C(C)(C)N1CCCCC1 ZINC001127322005 830002472 /nfs/dbraw/zinc/00/24/72/830002472.db2.gz JGOWDPPCOICAFG-CYBMUJFWSA-N 1 3 301.431 -0.036 20 0 DBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474716 830013073 /nfs/dbraw/zinc/01/30/73/830013073.db2.gz OETOSRFJNVWIOD-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)N1CCCC1 ZINC001127466635 830013118 /nfs/dbraw/zinc/01/31/18/830013118.db2.gz WKMGZEHDXOLIBX-CQSZACIVSA-N 1 3 308.426 -0.344 20 0 DBADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001127470732 830013309 /nfs/dbraw/zinc/01/33/09/830013309.db2.gz DQELUBSAQFKVRK-CQSZACIVSA-N 1 3 308.426 -0.345 20 0 DBADHO CCCNC(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558233 830017956 /nfs/dbraw/zinc/01/79/56/830017956.db2.gz HSACRVMQGFNFOU-UHFFFAOYSA-N 1 3 324.429 -0.710 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC2CC2)CC[N@@H+]1C ZINC001127689945 830023481 /nfs/dbraw/zinc/02/34/81/830023481.db2.gz CWMKPYFVBPSDHZ-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCNCC(=O)NCC2CC2)CC[N@H+]1C ZINC001127689945 830023483 /nfs/dbraw/zinc/02/34/83/830023483.db2.gz CWMKPYFVBPSDHZ-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)CC[N@@H+]1C ZINC001127707105 830024179 /nfs/dbraw/zinc/02/41/79/830024179.db2.gz UXLQSSYBPDPYKL-GARJFASQSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H](C)C(=O)NC(N)=O)CC[N@H+]1C ZINC001127707105 830024184 /nfs/dbraw/zinc/02/41/84/830024184.db2.gz UXLQSSYBPDPYKL-GARJFASQSA-N 1 3 313.402 -0.994 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001127701252 830024706 /nfs/dbraw/zinc/02/47/06/830024706.db2.gz LQOYGSJKMJCOQN-SDDRHHMPSA-N 1 3 310.398 -0.772 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001127701252 830024712 /nfs/dbraw/zinc/02/47/12/830024712.db2.gz LQOYGSJKMJCOQN-SDDRHHMPSA-N 1 3 310.398 -0.772 20 0 DBADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127766363 830028662 /nfs/dbraw/zinc/02/86/62/830028662.db2.gz VLLPXBCLACWCRC-KGLIPLIRSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC001127766363 830028671 /nfs/dbraw/zinc/02/86/71/830028671.db2.gz VLLPXBCLACWCRC-KGLIPLIRSA-N 1 3 324.425 -0.824 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779752 830029450 /nfs/dbraw/zinc/02/94/50/830029450.db2.gz RNBXYDLIXPSNMO-CHWSQXEVSA-N 1 3 312.414 -0.920 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779752 830029457 /nfs/dbraw/zinc/02/94/57/830029457.db2.gz RNBXYDLIXPSNMO-CHWSQXEVSA-N 1 3 312.414 -0.920 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779753 830029628 /nfs/dbraw/zinc/02/96/28/830029628.db2.gz RNBXYDLIXPSNMO-OLZOCXBDSA-N 1 3 312.414 -0.920 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127779753 830029630 /nfs/dbraw/zinc/02/96/30/830029630.db2.gz RNBXYDLIXPSNMO-OLZOCXBDSA-N 1 3 312.414 -0.920 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cn1 ZINC001127778802 830029848 /nfs/dbraw/zinc/02/98/48/830029848.db2.gz GGAGPMLNMJWGIW-KBPBESRZSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)cn1 ZINC001127778802 830029857 /nfs/dbraw/zinc/02/98/57/830029857.db2.gz GGAGPMLNMJWGIW-KBPBESRZSA-N 1 3 307.398 -0.511 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779755 830030410 /nfs/dbraw/zinc/03/04/10/830030410.db2.gz RNBXYDLIXPSNMO-STQMWFEESA-N 1 3 312.414 -0.920 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779755 830030412 /nfs/dbraw/zinc/03/04/12/830030412.db2.gz RNBXYDLIXPSNMO-STQMWFEESA-N 1 3 312.414 -0.920 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780563 830032069 /nfs/dbraw/zinc/03/20/69/830032069.db2.gz ZXUYJMWIHHQQFT-GXTWGEPZSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1cncc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127780563 830032074 /nfs/dbraw/zinc/03/20/74/830032074.db2.gz ZXUYJMWIHHQQFT-GXTWGEPZSA-N 1 3 307.398 -0.511 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H]1CCN(C)C1=O ZINC001128545180 830097678 /nfs/dbraw/zinc/09/76/78/830097678.db2.gz VPQXACDCDIWDPD-VXGBXAGGSA-N 1 3 302.394 -0.397 20 0 DBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001129326915 830171737 /nfs/dbraw/zinc/17/17/37/830171737.db2.gz CWIBJHGNIDMBGE-CHWSQXEVSA-N 1 3 324.425 -0.525 20 0 DBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)C1 ZINC001129326915 830171744 /nfs/dbraw/zinc/17/17/44/830171744.db2.gz CWIBJHGNIDMBGE-CHWSQXEVSA-N 1 3 324.425 -0.525 20 0 DBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001129340107 830173511 /nfs/dbraw/zinc/17/35/11/830173511.db2.gz KUBNPFKSXSPOCS-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@H]2CCCNC2=O)C1 ZINC001129340107 830173515 /nfs/dbraw/zinc/17/35/15/830173515.db2.gz KUBNPFKSXSPOCS-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)C1(C(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)CCC1 ZINC001129356670 830175204 /nfs/dbraw/zinc/17/52/04/830175204.db2.gz FMAMOIKAFZOVFN-LBPRGKRZSA-N 1 3 317.455 -0.389 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(N)=O ZINC001129363499 830175848 /nfs/dbraw/zinc/17/58/48/830175848.db2.gz HVPXXSUSYNGSRH-YPMHNXCESA-N 1 3 312.414 -0.791 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1)C(N)=O ZINC001129363499 830175853 /nfs/dbraw/zinc/17/58/53/830175853.db2.gz HVPXXSUSYNGSRH-YPMHNXCESA-N 1 3 312.414 -0.791 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129421828 830180746 /nfs/dbraw/zinc/18/07/46/830180746.db2.gz CYCBQSIYBGFPSU-QWHCGFSZSA-N 1 3 324.425 -0.240 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129421828 830180752 /nfs/dbraw/zinc/18/07/52/830180752.db2.gz CYCBQSIYBGFPSU-QWHCGFSZSA-N 1 3 324.425 -0.240 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001129856871 830218407 /nfs/dbraw/zinc/21/84/07/830218407.db2.gz ZHMQQOXCHNTDKF-LLVKDONJSA-N 1 3 313.402 -0.978 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129856871 830218412 /nfs/dbraw/zinc/21/84/12/830218412.db2.gz ZHMQQOXCHNTDKF-LLVKDONJSA-N 1 3 313.402 -0.978 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]C[C@H]1CCCS(=O)(=O)C1)N(C)C ZINC001130202992 830281017 /nfs/dbraw/zinc/28/10/17/830281017.db2.gz DJXGEVCNZIMZBQ-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001130426673 830320401 /nfs/dbraw/zinc/32/04/01/830320401.db2.gz ACGLQBLQIYUSHB-CYBMUJFWSA-N 1 3 319.446 -0.554 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001130424873 830321376 /nfs/dbraw/zinc/32/13/76/830321376.db2.gz DWNNNTWCLUSCRL-LBPRGKRZSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001130422069 830321428 /nfs/dbraw/zinc/32/14/28/830321428.db2.gz VFUUBFIPDWKDTE-SECBINFHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001130422069 830321434 /nfs/dbraw/zinc/32/14/34/830321434.db2.gz VFUUBFIPDWKDTE-SECBINFHSA-N 1 3 301.391 -0.994 20 0 DBADHO O=C(NCC[NH2+]C[C@H]1CCCOC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519725 830479168 /nfs/dbraw/zinc/47/91/68/830479168.db2.gz JTAJJQIPBVUBNP-HCEZTOJASA-N 1 3 323.437 -0.018 20 0 DBADHO O=C(CNCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)NC1CC1 ZINC001131790532 830530437 /nfs/dbraw/zinc/53/04/37/830530437.db2.gz OYPWVMNVEJUUSS-OAHLLOKOSA-N 1 3 308.426 -0.155 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC[C@H]1CCCO1 ZINC001133040226 830736470 /nfs/dbraw/zinc/73/64/70/830736470.db2.gz HILQUPBLIUYCBJ-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC(=O)NC1CC1 ZINC001133040314 830736550 /nfs/dbraw/zinc/73/65/50/830736550.db2.gz LDXOYASVUCPRGX-UHFFFAOYSA-N 1 3 313.402 -0.978 20 0 DBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CCC[NH+](C)C)CCO1 ZINC001133051908 830737064 /nfs/dbraw/zinc/73/70/64/830737064.db2.gz UTPKJEMOHVXHFH-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133051731 830737176 /nfs/dbraw/zinc/73/71/76/830737176.db2.gz MTDZGNHBOJNCTP-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NC[C@H]1CCOC1 ZINC001133051536 830737190 /nfs/dbraw/zinc/73/71/90/830737190.db2.gz IFNLYYWAZPVMQH-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO C[C@@H]1CN(C(=O)CNCCNC(=O)CC[NH+](C)C)C[C@@H](C)O1 ZINC001133290780 830762970 /nfs/dbraw/zinc/76/29/70/830762970.db2.gz BQGAMAOFANDRQJ-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)CNC(=O)NC(=O)CNCCNC(=O)CC[NH+](C)C ZINC001133290786 830763456 /nfs/dbraw/zinc/76/34/56/830763456.db2.gz CDTFLUNAYXKOJQ-UHFFFAOYSA-N 1 3 315.418 -0.874 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434430 830775163 /nfs/dbraw/zinc/77/51/63/830775163.db2.gz QJDILKLLNSDLDS-WDEREUQCSA-N 1 3 315.418 -0.878 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434429 830775536 /nfs/dbraw/zinc/77/55/36/830775536.db2.gz QJDILKLLNSDLDS-GHMZBOCLSA-N 1 3 315.418 -0.878 20 0 DBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O)N(C)C ZINC001133434482 830775687 /nfs/dbraw/zinc/77/56/87/830775687.db2.gz TVWOIRMTNSIADD-CHWSQXEVSA-N 1 3 321.487 -0.041 20 0 DBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O)N(C)C ZINC001133434483 830775843 /nfs/dbraw/zinc/77/58/43/830775843.db2.gz TVWOIRMTNSIADD-QWHCGFSZSA-N 1 3 321.487 -0.041 20 0 DBADHO CC[C@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[NH+](CC)CC ZINC001133690066 830809996 /nfs/dbraw/zinc/80/99/96/830809996.db2.gz HMSXWJZYKOLOPZ-GHMZBOCLSA-N 1 3 315.418 -0.604 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)CN1CCC[C@@H]1C)CS(C)(=O)=O ZINC001133833703 830833372 /nfs/dbraw/zinc/83/33/72/830833372.db2.gz CSCQOUOYCNIXSK-STQMWFEESA-N 1 3 319.471 -0.143 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834426 830834292 /nfs/dbraw/zinc/83/42/92/830834292.db2.gz XILCHODCJUYENF-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133834426 830834300 /nfs/dbraw/zinc/83/43/00/830834300.db2.gz XILCHODCJUYENF-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133845610 830837583 /nfs/dbraw/zinc/83/75/83/830837583.db2.gz JRUOAEWWTYLSGA-CYBMUJFWSA-N 1 3 313.446 -0.258 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849879 830838785 /nfs/dbraw/zinc/83/87/85/830838785.db2.gz GLXPVPGWGSPDBY-AWEZNQCLSA-N 1 3 302.394 -0.349 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133849879 830838792 /nfs/dbraw/zinc/83/87/92/830838792.db2.gz GLXPVPGWGSPDBY-AWEZNQCLSA-N 1 3 302.394 -0.349 20 0 DBADHO COC[C@H](O)C[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133851094 830839289 /nfs/dbraw/zinc/83/92/89/830839289.db2.gz WQMPIADOZZJCPV-IUODEOHRSA-N 1 3 319.421 -0.088 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001133853209 830839357 /nfs/dbraw/zinc/83/93/57/830839357.db2.gz FHSDZCRRJXDIOI-CYBMUJFWSA-N 1 3 306.410 -0.067 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001133851247 830839666 /nfs/dbraw/zinc/83/96/66/830839666.db2.gz ZXHJIKGKDGAXRI-UONOGXRCSA-N 1 3 309.414 -0.708 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001133866180 830843063 /nfs/dbraw/zinc/84/30/63/830843063.db2.gz JTLZSGIJFOLABO-JSGCOSHPSA-N 1 3 310.442 -0.194 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NCC1CCC1 ZINC001133866180 830843072 /nfs/dbraw/zinc/84/30/72/830843072.db2.gz JTLZSGIJFOLABO-JSGCOSHPSA-N 1 3 310.442 -0.194 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001133870971 830847348 /nfs/dbraw/zinc/84/73/48/830847348.db2.gz YBIJNAKPBRKPJY-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001133870971 830847361 /nfs/dbraw/zinc/84/73/61/830847361.db2.gz YBIJNAKPBRKPJY-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@H]1CCCCN1C(C)C ZINC001134763177 830975847 /nfs/dbraw/zinc/97/58/47/830975847.db2.gz OTRIFBDLKBCFLC-KBPBESRZSA-N 1 3 301.431 -0.038 20 0 DBADHO C[NH+]1CCC(CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001134780786 830977826 /nfs/dbraw/zinc/97/78/26/830977826.db2.gz WMZZLCHONUNVMN-GFCCVEGCSA-N 1 3 310.398 -0.771 20 0 DBADHO Cn1cc(CNCCNC(=O)c2cnn(CC[NH+](C)C)c2)cn1 ZINC001135114840 831011265 /nfs/dbraw/zinc/01/12/65/831011265.db2.gz PUXBCIZQBULRAM-UHFFFAOYSA-N 1 3 319.413 -0.302 20 0 DBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)[C@@H]1CSCN1C(C)=O ZINC001183142218 833708553 /nfs/dbraw/zinc/70/85/53/833708553.db2.gz ZKBXJVVBZXVKDJ-NSHDSACASA-N 1 3 315.443 -0.028 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001135511188 831078694 /nfs/dbraw/zinc/07/86/94/831078694.db2.gz KWGZWPQSCJIOST-ZDUSSCGKSA-N 1 3 314.430 -0.983 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001135511395 831079655 /nfs/dbraw/zinc/07/96/55/831079655.db2.gz QEFBLSZYQJWEFA-UHFFFAOYSA-N 1 3 301.435 -0.258 20 0 DBADHO Cn1nccc1CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135960138 831141500 /nfs/dbraw/zinc/14/15/00/831141500.db2.gz ZVCJJZFIJYKGAQ-UHFFFAOYSA-N 1 3 309.414 -0.263 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959657 831141984 /nfs/dbraw/zinc/14/19/84/831141984.db2.gz SKHLJPYJQYCYIZ-UHFFFAOYSA-N 1 3 314.430 -0.672 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001146709782 831292858 /nfs/dbraw/zinc/29/28/58/831292858.db2.gz DMUQIKMUPZOFFY-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)N1CCO[C@H](C)C1 ZINC001146709782 831292866 /nfs/dbraw/zinc/29/28/66/831292866.db2.gz DMUQIKMUPZOFFY-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[N@H+](C)CC ZINC001146719704 831293501 /nfs/dbraw/zinc/29/35/01/831293501.db2.gz VLXHZUKHWCFPIN-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)NCCNC(=O)CC[N@@H+](C)CC ZINC001146719704 831293506 /nfs/dbraw/zinc/29/35/06/831293506.db2.gz VLXHZUKHWCFPIN-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO COc1ccc(CNCCNC(=O)COCC[NH+](C)C)cn1 ZINC001147842060 831411060 /nfs/dbraw/zinc/41/10/60/831411060.db2.gz LADFJHOUIVMMSP-UHFFFAOYSA-N 1 3 310.398 -0.126 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001147877877 831414498 /nfs/dbraw/zinc/41/44/98/831414498.db2.gz OPKHGGYIPNNAPH-AWEZNQCLSA-N 1 3 310.442 -0.050 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001147877877 831414503 /nfs/dbraw/zinc/41/45/03/831414503.db2.gz OPKHGGYIPNNAPH-AWEZNQCLSA-N 1 3 310.442 -0.050 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147877549 831414523 /nfs/dbraw/zinc/41/45/23/831414523.db2.gz LHMFGVUSDNAUTL-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147877549 831414526 /nfs/dbraw/zinc/41/45/26/831414526.db2.gz LHMFGVUSDNAUTL-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO CC[C@@H](C)NC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147891578 831416012 /nfs/dbraw/zinc/41/60/12/831416012.db2.gz DMIIMVWCCDZYSI-OLZOCXBDSA-N 1 3 316.446 -0.426 20 0 DBADHO CCN(CC)C(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893847 831416025 /nfs/dbraw/zinc/41/60/25/831416025.db2.gz VDMUPNVARGQYQZ-ZDUSSCGKSA-N 1 3 316.446 -0.473 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)COCC[NH+](C)C)C1CC1 ZINC001147894034 831416688 /nfs/dbraw/zinc/41/66/88/831416688.db2.gz YROIPEYDWQANCV-GFCCVEGCSA-N 1 3 314.430 -0.815 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001147899967 831417385 /nfs/dbraw/zinc/41/73/85/831417385.db2.gz FDBQEVNRCPIHGY-OLZOCXBDSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001147899967 831417391 /nfs/dbraw/zinc/41/73/91/831417391.db2.gz FDBQEVNRCPIHGY-OLZOCXBDSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)[C@@H](C)NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977336 831420556 /nfs/dbraw/zinc/42/05/56/831420556.db2.gz OTPVQPUSZKTCOA-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N1CC[C@H](NCCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001147994904 831421513 /nfs/dbraw/zinc/42/15/13/831421513.db2.gz UXAWPJPXHJUABE-ZDUSSCGKSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001147994341 831421687 /nfs/dbraw/zinc/42/16/87/831421687.db2.gz FAULFTCTSRMWDV-GFCCVEGCSA-N 1 3 308.426 -0.297 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NCC ZINC001148570865 831463019 /nfs/dbraw/zinc/46/30/19/831463019.db2.gz OUHPALZJAXNVJD-UHFFFAOYSA-N 1 3 315.418 -0.730 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCNCC(=O)NC(=O)NCC ZINC001148570865 831463023 /nfs/dbraw/zinc/46/30/23/831463023.db2.gz OUHPALZJAXNVJD-UHFFFAOYSA-N 1 3 315.418 -0.730 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001148577889 831463922 /nfs/dbraw/zinc/46/39/22/831463922.db2.gz HYZPGPUEKNKTKC-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NC(=O)NC ZINC001148577889 831463925 /nfs/dbraw/zinc/46/39/25/831463925.db2.gz HYZPGPUEKNKTKC-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148651414 831468659 /nfs/dbraw/zinc/46/86/59/831468659.db2.gz GJIBFABEAJJNPQ-UHFFFAOYSA-N 1 3 313.442 -0.129 20 0 DBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148651414 831468663 /nfs/dbraw/zinc/46/86/63/831468663.db2.gz GJIBFABEAJJNPQ-UHFFFAOYSA-N 1 3 313.442 -0.129 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149936741 831582314 /nfs/dbraw/zinc/58/23/14/831582314.db2.gz MUJUDTGNGQBDLO-ZDUSSCGKSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)NC[C@H]1CN(CCO)CCCO1 ZINC001149936741 831582323 /nfs/dbraw/zinc/58/23/23/831582323.db2.gz MUJUDTGNGQBDLO-ZDUSSCGKSA-N 1 3 301.431 -0.084 20 0 DBADHO C[NH+](C)CCCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150194378 831597783 /nfs/dbraw/zinc/59/77/83/831597783.db2.gz SNSAMJNJEQXDAB-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO COC[C@@H](O)CN1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241183 831600925 /nfs/dbraw/zinc/60/09/25/831600925.db2.gz MPSLRMJSQALVFU-UONOGXRCSA-N 1 3 317.430 -0.848 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150470604 831622260 /nfs/dbraw/zinc/62/22/60/831622260.db2.gz SFQRYCOJJPYYFL-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150470604 831622261 /nfs/dbraw/zinc/62/22/61/831622261.db2.gz SFQRYCOJJPYYFL-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@H+](C[C@@H](C)O)CCCO1 ZINC001150777526 831646099 /nfs/dbraw/zinc/64/60/99/831646099.db2.gz FZRYJYASLFDCOS-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001150777526 831646102 /nfs/dbraw/zinc/64/61/02/831646102.db2.gz FZRYJYASLFDCOS-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO CN(Cc1ccco1)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065473 831661924 /nfs/dbraw/zinc/66/19/24/831661924.db2.gz KASWOENZDHURQG-CYBMUJFWSA-N 1 3 322.409 -0.105 20 0 DBADHO CN(Cc1ccco1)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151065473 831661925 /nfs/dbraw/zinc/66/19/25/831661925.db2.gz KASWOENZDHURQG-CYBMUJFWSA-N 1 3 322.409 -0.105 20 0 DBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073883 831662057 /nfs/dbraw/zinc/66/20/57/831662057.db2.gz ROIYPXRPNMGLSC-QWHCGFSZSA-N 1 3 314.430 -0.815 20 0 DBADHO COCCCNC(=O)[C@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073883 831662054 /nfs/dbraw/zinc/66/20/54/831662054.db2.gz ROIYPXRPNMGLSC-QWHCGFSZSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(CC(F)(F)F)C(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151066468 831662089 /nfs/dbraw/zinc/66/20/89/831662089.db2.gz VAYQZFGBWMXGNL-SNVBAGLBSA-N 1 3 324.347 -0.335 20 0 DBADHO CN(CC(F)(F)F)C(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066468 831662090 /nfs/dbraw/zinc/66/20/90/831662090.db2.gz VAYQZFGBWMXGNL-SNVBAGLBSA-N 1 3 324.347 -0.335 20 0 DBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151073879 831662133 /nfs/dbraw/zinc/66/21/33/831662133.db2.gz ROIYPXRPNMGLSC-CHWSQXEVSA-N 1 3 314.430 -0.815 20 0 DBADHO COCCCNC(=O)[C@@H](C)NCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151073879 831662137 /nfs/dbraw/zinc/66/21/37/831662137.db2.gz ROIYPXRPNMGLSC-CHWSQXEVSA-N 1 3 314.430 -0.815 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001152427140 831749835 /nfs/dbraw/zinc/74/98/35/831749835.db2.gz SKPNJIUEAGFCMX-ZDUSSCGKSA-N 1 3 314.430 -0.984 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001152479824 831754473 /nfs/dbraw/zinc/75/44/73/831754473.db2.gz KQMNNGAVALOOGW-HUUCEWRRSA-N 1 3 323.441 -0.176 20 0 DBADHO NC(=O)NC(=O)CNCCNC(=O)CCCC[NH+]1CCCC1 ZINC001153314870 831801890 /nfs/dbraw/zinc/80/18/90/831801890.db2.gz QWVNWSXYIOBXDX-UHFFFAOYSA-N 1 3 313.402 -0.847 20 0 DBADHO CCOC(=O)[C@]12CN(c3cc(CN)ncn3)C[C@H]1C[NH2+]CC2 ZINC001154688001 831894390 /nfs/dbraw/zinc/89/43/90/831894390.db2.gz QEMIFNRSSMHTSX-IAQYHMDHSA-N 1 3 305.382 -0.086 20 0 DBADHO CCOC(=O)c1c(CN)ncn1-c1ncnc2c1CC[NH2+]C2 ZINC001155077400 831914942 /nfs/dbraw/zinc/91/49/42/831914942.db2.gz CRJNPDAMRHVREY-UHFFFAOYSA-N 1 3 302.338 -0.057 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155790901 831952820 /nfs/dbraw/zinc/95/28/20/831952820.db2.gz OTXBBSNNQNCYDB-NSHDSACASA-N 1 3 313.402 -0.978 20 0 DBADHO COC(=O)c1nc2cnccc2c(NC(=N)NCCCC[NH3+])n1 ZINC001157096383 832020710 /nfs/dbraw/zinc/02/07/10/832020710.db2.gz IIYBUICKHMLRIQ-UHFFFAOYSA-N 1 3 317.353 -0.092 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H](N)C1CCC(O)CC1 ZINC001157336970 832035237 /nfs/dbraw/zinc/03/52/37/832035237.db2.gz RTLUFNWBZUEIEB-TYUFSLCMSA-N 1 3 314.430 -0.775 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)c1[nH]nc2c1CCNC2 ZINC001157355981 832037612 /nfs/dbraw/zinc/03/76/12/832037612.db2.gz ZYOXOGRHGKSRHM-JTQLQIEISA-N 1 3 308.386 -0.971 20 0 DBADHO N[C@H]1CN(C(=O)[C@@H]([NH3+])C2CCC3(CC2)OCCO3)C[C@H]1F ZINC001157538127 832051823 /nfs/dbraw/zinc/05/18/23/832051823.db2.gz HMTVIICKTXYLHE-WOPDTQHZSA-N 1 3 301.362 -0.245 20 0 DBADHO N[C@H]1CN(C(=O)c2ccc3c(c2)[C@H]2C[NH2+]C[C@@H]2NC3=O)C[C@H]1F ZINC001157559742 832052836 /nfs/dbraw/zinc/05/28/36/832052836.db2.gz IPEATSXMJOMEAM-MQYQWHSLSA-N 1 3 318.352 -0.393 20 0 DBADHO CC(=O)NCCCC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CNCCO1 ZINC001157721073 832057887 /nfs/dbraw/zinc/05/78/87/832057887.db2.gz UBGWFTFYQVTRNC-STQMWFEESA-N 1 3 300.403 -0.933 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)c1cccnc1N1CC[NH2+]CC1 ZINC001157720374 832058162 /nfs/dbraw/zinc/05/81/62/832058162.db2.gz HWMZGAQSARZDPX-ZDUSSCGKSA-N 1 3 319.409 -0.448 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)C[C@H]1C[NH2+]CCO1 ZINC001157716760 832058470 /nfs/dbraw/zinc/05/84/70/832058470.db2.gz RXGJACPUUWGMKA-XQQFMLRXSA-N 1 3 314.430 -0.689 20 0 DBADHO CN(C[C@H]1CNCCO1)C(=O)c1cccnc1O[C@@H]1CC[NH2+]C1 ZINC001157720182 832058735 /nfs/dbraw/zinc/05/87/35/832058735.db2.gz BVJOUBNRBZFQIY-CHWSQXEVSA-N 1 3 320.393 -0.117 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001157905383 832071351 /nfs/dbraw/zinc/07/13/51/832071351.db2.gz UFCRGWOBEDXEDP-GMTAPVOTSA-N 1 3 321.343 -0.043 20 0 DBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCNCC(F)(F)C1 ZINC001157937264 832075977 /nfs/dbraw/zinc/07/59/77/832075977.db2.gz RZXYAOXZADFHAU-NSHDSACASA-N 1 3 302.369 -0.072 20 0 DBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCNCC(F)(F)C1 ZINC001157937264 832075983 /nfs/dbraw/zinc/07/59/83/832075983.db2.gz RZXYAOXZADFHAU-NSHDSACASA-N 1 3 302.369 -0.072 20 0 DBADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157999532 832081818 /nfs/dbraw/zinc/08/18/18/832081818.db2.gz SIEPCEQSCFOYKZ-QWHCGFSZSA-N 1 3 324.425 -0.776 20 0 DBADHO CCOC(=O)[C@H]1CNCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157999532 832081820 /nfs/dbraw/zinc/08/18/20/832081820.db2.gz SIEPCEQSCFOYKZ-QWHCGFSZSA-N 1 3 324.425 -0.776 20 0 DBADHO CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H](N)CCC[NH3+])C2 ZINC001158415985 832109701 /nfs/dbraw/zinc/10/97/01/832109701.db2.gz QWRXJUBSACXAGC-LALPHHSUSA-N 1 3 313.398 -0.377 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)CC(F)F ZINC001158499185 832118961 /nfs/dbraw/zinc/11/89/61/832118961.db2.gz YEPATFBCXXUCKX-AATLWQCWSA-N 1 3 305.325 -0.279 20 0 DBADHO COCCN1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001158605523 832123465 /nfs/dbraw/zinc/12/34/65/832123465.db2.gz YTLLXOBJPNTRSA-CQSZACIVSA-N 1 3 310.442 -0.349 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCc2onc(Cn3ccnc3)c2C1 ZINC001158821291 832139364 /nfs/dbraw/zinc/13/93/64/832139364.db2.gz GWRWFIXOQGNBCZ-LBPRGKRZSA-N 1 3 318.381 -0.130 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@H]1C[NH2+]C[C@@H]1O)C2 ZINC001158856742 832142096 /nfs/dbraw/zinc/14/20/96/832142096.db2.gz QHWZFVRJIFBZQR-WFASDCNBSA-N 1 3 321.425 -0.285 20 0 DBADHO COC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CC23CNC3)Cc2cn(C)nc21 ZINC001159018998 832152131 /nfs/dbraw/zinc/15/21/31/832152131.db2.gz OMSNVQAOFDBSRM-OLZOCXBDSA-N 1 3 319.409 -0.699 20 0 DBADHO COC[C@@H]1CN(C(=O)[C@H]2C[NH2+]CC23CNC3)Cc2cn(C)nc21 ZINC001159018999 832152384 /nfs/dbraw/zinc/15/23/84/832152384.db2.gz OMSNVQAOFDBSRM-QWHCGFSZSA-N 1 3 319.409 -0.699 20 0 DBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@H](F)CN(CC)CC ZINC001159155359 832159986 /nfs/dbraw/zinc/15/99/86/832159986.db2.gz NJENOLLTSGIOJJ-GFCCVEGCSA-N 1 3 304.410 -0.102 20 0 DBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](F)CN(CC)CC ZINC001159155360 832160583 /nfs/dbraw/zinc/16/05/83/832160583.db2.gz NJENOLLTSGIOJJ-LBPRGKRZSA-N 1 3 304.410 -0.102 20 0 DBADHO CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(CCOCCO)C1 ZINC001269268508 832404272 /nfs/dbraw/zinc/40/42/72/832404272.db2.gz MPVDKOKIWWYJLA-HNNXBMFYSA-N 1 3 313.442 -0.130 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001186834893 833881513 /nfs/dbraw/zinc/88/15/13/833881513.db2.gz VRKODEVKKVCAKE-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001186834893 833881522 /nfs/dbraw/zinc/88/15/22/833881522.db2.gz VRKODEVKKVCAKE-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001270980605 832602660 /nfs/dbraw/zinc/60/26/60/832602660.db2.gz VERIFDVKLPZSGF-ZNMIVQPWSA-N 1 3 310.442 -0.589 20 0 DBADHO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)[C@@H]2C1 ZINC001270980605 832602666 /nfs/dbraw/zinc/60/26/66/832602666.db2.gz VERIFDVKLPZSGF-ZNMIVQPWSA-N 1 3 310.442 -0.589 20 0 DBADHO C[C@H](C[NH2+]CCNC(=O)C1CC1)N(C)C(=O)Cc1c[nH]cn1 ZINC001271122068 832623674 /nfs/dbraw/zinc/62/36/74/832623674.db2.gz UFVUIAWKWORCOR-LLVKDONJSA-N 1 3 307.398 -0.085 20 0 DBADHO C[C@@H](C(=O)N1C[C@H]2CN(CC[NH+](C)C)C[C@@H](C1)O2)N1CCCC1 ZINC001271213546 832639458 /nfs/dbraw/zinc/63/94/58/832639458.db2.gz ASSXTJYZAIALQT-HRCADAONSA-N 1 3 324.469 -0.056 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271210714 832639735 /nfs/dbraw/zinc/63/97/35/832639735.db2.gz ZVNZKBAWWFNOTG-RYUDHWBXSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271210714 832639736 /nfs/dbraw/zinc/63/97/36/832639736.db2.gz ZVNZKBAWWFNOTG-RYUDHWBXSA-N 1 3 305.444 -0.581 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001271537618 832678720 /nfs/dbraw/zinc/67/87/20/832678720.db2.gz CVGJOEZWGOKQQZ-GJZGRUSLSA-N 1 3 312.458 -0.199 20 0 DBADHO CN(C)C(=O)CN1CCC2(CN(C(=O)C3(N(C)C)CC3)C2)C1 ZINC001272307718 832769830 /nfs/dbraw/zinc/76/98/30/832769830.db2.gz BCWGRSMXVWQIGZ-UHFFFAOYSA-N 1 3 308.426 -0.297 20 0 DBADHO CN(C)C(=O)CN1CCC2(CN(C(=O)C3([NH+](C)C)CC3)C2)C1 ZINC001272307718 832769834 /nfs/dbraw/zinc/76/98/34/832769834.db2.gz BCWGRSMXVWQIGZ-UHFFFAOYSA-N 1 3 308.426 -0.297 20 0 DBADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]CCCO)N1CCCCC1 ZINC001272413873 832783901 /nfs/dbraw/zinc/78/39/01/832783901.db2.gz JAQCBDFQIOXXBK-CYBMUJFWSA-N 1 3 301.431 -0.300 20 0 DBADHO CN(C)C(=O)CN1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272534316 832795352 /nfs/dbraw/zinc/79/53/52/832795352.db2.gz IBWJMVQMOYXVJC-INIZCTEOSA-N 1 3 324.425 -0.523 20 0 DBADHO CN(C)C(=O)CN1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001272534317 832795810 /nfs/dbraw/zinc/79/58/10/832795810.db2.gz IBWJMVQMOYXVJC-MRXNPFEDSA-N 1 3 324.425 -0.523 20 0 DBADHO C[NH+](C)CCN1CC[C@]2(CCCN2CCN2CCOCC2)C1=O ZINC001272661013 832817280 /nfs/dbraw/zinc/81/72/80/832817280.db2.gz JREXZLMATDZBPE-QGZVFWFLSA-N 1 3 324.469 -0.053 20 0 DBADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)CCC[NH3+])C3)n1 ZINC001159472383 832817970 /nfs/dbraw/zinc/81/79/70/832817970.db2.gz TUVYUYPLASEMCW-UHIISALHSA-N 1 3 309.370 -0.829 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC001159527502 832823838 /nfs/dbraw/zinc/82/38/38/832823838.db2.gz DAPVJWCDIRVIHT-HRCADAONSA-N 1 3 315.417 0.000 20 0 DBADHO N[C@@H](C(=O)N1CC2CC1(C(=O)N1CCCC1)C2)C1CC[NH2+]CC1 ZINC001159688877 832835835 /nfs/dbraw/zinc/83/58/35/832835835.db2.gz XXRDTRLTKKDJMX-KDJCLPLCSA-N 1 3 320.437 -0.073 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159688200 832835881 /nfs/dbraw/zinc/83/58/81/832835881.db2.gz OELZKQSXFCONIU-UIORMTCPSA-N 1 3 318.421 -0.591 20 0 DBADHO N[C@H](CCC[NH3+])Nc1nc2c(c(N3CCOCC3)n1)CNC2 ZINC001159786493 832845567 /nfs/dbraw/zinc/84/55/67/832845567.db2.gz BLMVNKIEJCEICS-LBPRGKRZSA-N 1 3 307.402 -0.648 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]CCCNC(=O)C1(N(C)C)CCC1 ZINC001159854994 832851126 /nfs/dbraw/zinc/85/11/26/832851126.db2.gz ZEEAEWZSGZPLIN-UHFFFAOYSA-N 1 3 313.402 -0.978 20 0 DBADHO CN(C)C(=O)[C@H]1CC12CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001159863288 832853554 /nfs/dbraw/zinc/85/35/54/832853554.db2.gz RNVSXXCXUSAMDM-CHWSQXEVSA-N 1 3 320.437 -0.488 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCc2onc(Cn3cccn3)c2C1 ZINC001160127675 832876999 /nfs/dbraw/zinc/87/69/99/832876999.db2.gz CVLJPQYGKIRGPU-GFCCVEGCSA-N 1 3 318.381 -0.130 20 0 DBADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@@H](N)CCC[NH3+])CCO2 ZINC001160180280 832880946 /nfs/dbraw/zinc/88/09/46/832880946.db2.gz SKUFNKNVSLYAMT-DZGCQCFKSA-N 1 3 312.414 -0.708 20 0 DBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCNS(C)(=O)=O)N(C)C ZINC001160426459 832901802 /nfs/dbraw/zinc/90/18/02/832901802.db2.gz GCLOAZCZNCQJGG-LBPRGKRZSA-N 1 3 322.475 -0.782 20 0 DBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001160427906 832902035 /nfs/dbraw/zinc/90/20/35/832902035.db2.gz XLGJWCGCJDMJSF-YPMHNXCESA-N 1 3 312.414 -0.526 20 0 DBADHO COC(=O)CCN(Cc1ccco1)C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001160471498 832907934 /nfs/dbraw/zinc/90/79/34/832907934.db2.gz UEDJMJQMEPGPNB-CYBMUJFWSA-N 1 3 321.377 -0.020 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(C2CCOCC2)CC1 ZINC001160490732 832910357 /nfs/dbraw/zinc/91/03/57/832910357.db2.gz FVZGNABBLOSBTF-ZDUSSCGKSA-N 1 3 316.471 -0.671 20 0 DBADHO O=C(N1CCN(c2cccnn2)CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160570185 832917278 /nfs/dbraw/zinc/91/72/78/832917278.db2.gz KIZFPPDNCVPJSR-CZUORRHYSA-N 1 3 316.409 -0.676 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N1CCN(c2cccnn2)CC1 ZINC001160570110 832917524 /nfs/dbraw/zinc/91/75/24/832917524.db2.gz IWTCBHOTEBCYSS-NSHDSACASA-N 1 3 310.427 -0.856 20 0 DBADHO CCN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)C1(N(C)C)CCC1 ZINC001273421473 832924029 /nfs/dbraw/zinc/92/40/29/832924029.db2.gz XYMPDWVXNFNMHG-LBPRGKRZSA-N 1 3 324.425 -0.286 20 0 DBADHO CN[C@@H](COCc1ccccc1)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160643952 832929075 /nfs/dbraw/zinc/92/90/75/832929075.db2.gz QZOLVXKXAQKGKN-GJZGRUSLSA-N 1 3 307.394 -0.023 20 0 DBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641264 832929318 /nfs/dbraw/zinc/92/93/18/832929318.db2.gz ZIMUWLAOQMAHGC-NEPJUHHUSA-N 1 3 308.382 -0.476 20 0 DBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCN2C(=O)OC[C@H]2C1 ZINC001160641264 832929324 /nfs/dbraw/zinc/92/93/24/832929324.db2.gz ZIMUWLAOQMAHGC-NEPJUHHUSA-N 1 3 308.382 -0.476 20 0 DBADHO Cn1cnnc1C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001160703810 832935583 /nfs/dbraw/zinc/93/55/83/832935583.db2.gz FDDMBSSKNHPVGN-CZUORRHYSA-N 1 3 318.425 -0.280 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)CCC[NH+](C)C ZINC001273575805 832940456 /nfs/dbraw/zinc/94/04/56/832940456.db2.gz KXXQUNLBOALFMN-LBPRGKRZSA-N 1 3 312.414 -0.429 20 0 DBADHO CN1CCNC[C@@H]1C(=O)N1C[C@H]2C[NH2+]C[C@@]2(c2ccccc2)C1 ZINC001160782032 832942332 /nfs/dbraw/zinc/94/23/32/832942332.db2.gz YVOWXPBKLRTFTQ-NUJGCVRESA-N 1 3 314.433 -0.110 20 0 DBADHO CCOC(=O)[C@]12CN(C(=O)C(N)C(F)(F)F)C[C@H]1C[NH2+]CC2 ZINC001160812017 832945835 /nfs/dbraw/zinc/94/58/35/832945835.db2.gz FCEAPUCXWPPKIQ-KBVBSXBZSA-N 1 3 323.315 -0.123 20 0 DBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)N(C)C ZINC001160883965 832957415 /nfs/dbraw/zinc/95/74/15/832957415.db2.gz ZNWNRDSETJEICN-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@@H](N)C1CC[NH2+]CC1)CC2 ZINC001160902597 832958725 /nfs/dbraw/zinc/95/87/25/832958725.db2.gz UHSQRQFXCDNIQA-ZDUSSCGKSA-N 1 3 321.381 -0.661 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N(c2ncccn2)C2C[NH2+]C2)C1=O ZINC001160915667 832959968 /nfs/dbraw/zinc/95/99/68/832959968.db2.gz IUVYVDDLBDGGRL-LBPRGKRZSA-N 1 3 318.381 -0.879 20 0 DBADHO CSc1ncc2c(n1)CN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001160943780 832960759 /nfs/dbraw/zinc/96/07/59/832960759.db2.gz ONRUMUWMASBQJR-LLVKDONJSA-N 1 3 319.434 -0.108 20 0 DBADHO C[NH+](C)CCN1C[C@]2(CCN(CCn3ccnc3)C2)OCC1=O ZINC001273784717 832963702 /nfs/dbraw/zinc/96/37/02/832963702.db2.gz GSSDJBGWPVIETK-MRXNPFEDSA-N 1 3 321.425 -0.252 20 0 DBADHO O=C([C@@H]1CNCc2ccnn2C1)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000881 832964452 /nfs/dbraw/zinc/96/44/52/832964452.db2.gz VTTKZVPOFRAPCB-OCCSQVGLSA-N 1 3 319.409 -0.682 20 0 DBADHO O=C([C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CNC(=O)N2)CC1 ZINC001161082059 832972362 /nfs/dbraw/zinc/97/23/62/832972362.db2.gz NKAYDYQQWDXUIF-LBPRGKRZSA-N 1 3 321.425 -0.465 20 0 DBADHO O=C([C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CNC(=O)N2)CC1 ZINC001161082059 832972365 /nfs/dbraw/zinc/97/23/65/832972365.db2.gz NKAYDYQQWDXUIF-LBPRGKRZSA-N 1 3 321.425 -0.465 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@@H]21 ZINC001161082901 832973708 /nfs/dbraw/zinc/97/37/08/832973708.db2.gz QJSUOTSCVPGZNT-RDBSUJKOSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@@H]21 ZINC001161082901 832973710 /nfs/dbraw/zinc/97/37/10/832973710.db2.gz QJSUOTSCVPGZNT-RDBSUJKOSA-N 1 3 308.426 -0.121 20 0 DBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@H](N)CCC(=O)OC ZINC001161154391 832985726 /nfs/dbraw/zinc/98/57/26/832985726.db2.gz ZDZATVUGZAYPQO-SNVBAGLBSA-N 1 3 303.359 -0.993 20 0 DBADHO N[C@@H](C(=O)N1Cc2ccnn2CC[C@H]1CO)C1CC[NH2+]CC1 ZINC001161172880 832988305 /nfs/dbraw/zinc/98/83/05/832988305.db2.gz YKVLSWXJVSSJCB-UONOGXRCSA-N 1 3 307.398 -0.697 20 0 DBADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@H]2C1 ZINC001161176295 832989406 /nfs/dbraw/zinc/98/94/06/832989406.db2.gz SMGQDLLYRVEOLE-NJEYBTAUSA-N 1 3 301.456 -0.118 20 0 DBADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@H]2C1 ZINC001161176295 832989414 /nfs/dbraw/zinc/98/94/14/832989414.db2.gz SMGQDLLYRVEOLE-NJEYBTAUSA-N 1 3 301.456 -0.118 20 0 DBADHO CN(C)S(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2CC1CC[NH2+]CC1 ZINC001276713736 833452200 /nfs/dbraw/zinc/45/22/00/833452200.db2.gz KYOLXVWBQAGIBJ-OKILXGFUSA-N 1 3 316.471 -0.059 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001178716443 833521693 /nfs/dbraw/zinc/52/16/93/833521693.db2.gz OCISBEHAHMKFSK-QEJZJMRPSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001179179188 833538585 /nfs/dbraw/zinc/53/85/85/833538585.db2.gz KIQZXARMLWLESX-MLURZJSDSA-N 1 3 323.437 -0.189 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)NC(N)=O)CCN1C(=O)CCC[NH+](C)C ZINC001179434911 833546099 /nfs/dbraw/zinc/54/60/99/833546099.db2.gz DACUIAOSUPHIKT-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001179431326 833546171 /nfs/dbraw/zinc/54/61/71/833546171.db2.gz VGUVLGVYDAPHRD-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)CCC[NH+](C)C ZINC001179435799 833546893 /nfs/dbraw/zinc/54/68/93/833546893.db2.gz XSPOFNRBRXWZAB-STQMWFEESA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@H]1[C@@H](NCc2cnnn2C)CCN1C(=O)COCC[NH+](C)C ZINC001179929746 833563809 /nfs/dbraw/zinc/56/38/09/833563809.db2.gz UMPFLDWWBAIADW-JSGCOSHPSA-N 1 3 324.429 -0.528 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001179983382 833565509 /nfs/dbraw/zinc/56/55/09/833565509.db2.gz ZEKXRQCCDAIZGC-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@@H]1C ZINC001180226773 833573563 /nfs/dbraw/zinc/57/35/63/833573563.db2.gz LKYXREMXVCXSMC-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO C[C@@H]([NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001182741323 833688441 /nfs/dbraw/zinc/68/84/41/833688441.db2.gz MLXHCIWSSGZTMF-UEKVPHQBSA-N 1 3 307.398 -0.100 20 0 DBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1=C[C@@](C)(O)C=C[C@H]1O ZINC001183547126 833721972 /nfs/dbraw/zinc/72/19/72/833721972.db2.gz JBSOFYDPYYAWSN-DOMZBBRYSA-N 1 3 310.398 -0.342 20 0 DBADHO CNC(=O)[C@@H](C)N[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001183939401 833742839 /nfs/dbraw/zinc/74/28/39/833742839.db2.gz CTLQNJLRDWPNPO-CHWSQXEVSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC1CC1 ZINC001184876556 833774283 /nfs/dbraw/zinc/77/42/83/833774283.db2.gz KBNBCCBURUANBK-IACUBPJLSA-N 1 3 308.426 -0.062 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001185204171 833782891 /nfs/dbraw/zinc/78/28/91/833782891.db2.gz ITROSIBBPLGIJN-NWDGAFQWSA-N 1 3 307.398 -0.228 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](N[C@@H]2CCC(=O)NC2=O)C1 ZINC001185249454 833785631 /nfs/dbraw/zinc/78/56/31/833785631.db2.gz XZBYVCGZYFMCDZ-VXGBXAGGSA-N 1 3 310.398 -0.676 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](NCCNS(C)(=O)=O)C1 ZINC001185264245 833787777 /nfs/dbraw/zinc/78/77/77/833787777.db2.gz DBKYNSVRABUCKH-GFCCVEGCSA-N 1 3 320.459 -0.932 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)C(=O)N(C)C ZINC001185385190 833793643 /nfs/dbraw/zinc/79/36/43/833793643.db2.gz LUOLUCXGPVNUOC-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CCOCCNC(=O)CN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185384379 833793888 /nfs/dbraw/zinc/79/38/88/833793888.db2.gz DFWRJDZEQHXDAE-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC(C)NC(=O)CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187122489 833904014 /nfs/dbraw/zinc/90/40/14/833904014.db2.gz UQQOVKAGGCFWEP-CYBMUJFWSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](N[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1)C(=O)N(C)C ZINC001187121154 833904237 /nfs/dbraw/zinc/90/42/37/833904237.db2.gz FHVJONRWOLPSMX-CHWSQXEVSA-N 1 3 314.430 -0.768 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC001187322652 833916975 /nfs/dbraw/zinc/91/69/75/833916975.db2.gz QMIWLXSKMNDLGQ-CYBMUJFWSA-N 1 3 311.430 -0.456 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187818894 833951185 /nfs/dbraw/zinc/95/11/85/833951185.db2.gz SVDAXICKJGESRK-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187818894 833951189 /nfs/dbraw/zinc/95/11/89/833951189.db2.gz SVDAXICKJGESRK-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187826403 833951741 /nfs/dbraw/zinc/95/17/41/833951741.db2.gz ZKHIGAPWNTULFI-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187826403 833951749 /nfs/dbraw/zinc/95/17/49/833951749.db2.gz ZKHIGAPWNTULFI-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CN1CCN(C(=O)CN2CCC[C@@]3(C2)C[N@H+](C)CCO3)CC1 ZINC001277631366 833977075 /nfs/dbraw/zinc/97/70/75/833977075.db2.gz GQYUENKJXZWSKE-INIZCTEOSA-N 1 3 310.442 -0.443 20 0 DBADHO CN1CCN(C(=O)CN2CCC[C@@]3(C2)C[N@@H+](C)CCO3)CC1 ZINC001277631366 833977081 /nfs/dbraw/zinc/97/70/81/833977081.db2.gz GQYUENKJXZWSKE-INIZCTEOSA-N 1 3 310.442 -0.443 20 0 DBADHO CN(C)C(=O)CN1C[C@@H]2C(=O)NC3(CC[NH+](C4CC4)CC3)[C@H]2C1 ZINC001277922824 834007376 /nfs/dbraw/zinc/00/73/76/834007376.db2.gz NZIVCXSWCDRMFF-KBPBESRZSA-N 1 3 320.437 -0.251 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCOCCO)C2)CC[N@@H+]1C ZINC001190237688 834149086 /nfs/dbraw/zinc/14/90/86/834149086.db2.gz DFLUTPDPYSFPAR-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CC[C@H](N(C)CCOCCO)C2)CC[N@H+]1C ZINC001190237688 834149089 /nfs/dbraw/zinc/14/90/89/834149089.db2.gz DFLUTPDPYSFPAR-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1)C1CC1 ZINC001190656325 834178350 /nfs/dbraw/zinc/17/83/50/834178350.db2.gz RXRJQZFTJXATNG-LSDHHAIUSA-N 1 3 313.442 -0.132 20 0 DBADHO CN(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)C1CC1 ZINC001190656325 834178352 /nfs/dbraw/zinc/17/83/52/834178352.db2.gz RXRJQZFTJXATNG-LSDHHAIUSA-N 1 3 313.442 -0.132 20 0 DBADHO C[N@H+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431547 834253361 /nfs/dbraw/zinc/25/33/61/834253361.db2.gz RGBLYTZVQAGXKT-GYMHETDLSA-N 1 3 323.437 -0.235 20 0 DBADHO C[N@@H+](CCCO)[C@@H]1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001191431547 834253364 /nfs/dbraw/zinc/25/33/64/834253364.db2.gz RGBLYTZVQAGXKT-GYMHETDLSA-N 1 3 323.437 -0.235 20 0 DBADHO O=S(=O)([N-]C[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@H]1CC[NH2+]C1 ZINC001238169965 834347568 /nfs/dbraw/zinc/34/75/68/834347568.db2.gz MXRUSEQULMDCHN-DTWKUNHWSA-N 1 3 301.334 -0.190 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)CCOCCO)C2)C1 ZINC001192353241 834363403 /nfs/dbraw/zinc/36/34/03/834363403.db2.gz BSYWFGXJEFAUII-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H]([N@@H+](C)CCOCCO)C2)C1 ZINC001192353241 834363411 /nfs/dbraw/zinc/36/34/11/834363411.db2.gz BSYWFGXJEFAUII-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO COC(=O)[C@@H]([N-]S(=O)(=O)C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238705284 834363848 /nfs/dbraw/zinc/36/38/48/834363848.db2.gz AFBSDSLEKCWSNY-LBPRGKRZSA-N 1 3 319.427 -0.801 20 0 DBADHO NCCS(=O)(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC001238807654 834364652 /nfs/dbraw/zinc/36/46/52/834364652.db2.gz IQIKYJAYJHLHDF-UHFFFAOYSA-N 1 3 305.444 -0.245 20 0 DBADHO COc1ccc(S(=O)(=O)NCCC[NH2+]CCCN)cn1 ZINC001238878771 834369775 /nfs/dbraw/zinc/36/97/75/834369775.db2.gz LLSYHJSDCHVRRZ-UHFFFAOYSA-N 1 3 302.400 -0.303 20 0 DBADHO CCOC(=O)[C@@]12CN(S(=O)(=O)CCN)C[C@@H]1C[NH2+]CCC2 ZINC001238996099 834376998 /nfs/dbraw/zinc/37/69/98/834376998.db2.gz PAWSWBUMCFWOKG-AAEUAGOBSA-N 1 3 319.427 -0.860 20 0 DBADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(NC(=S)NCCN2CCCCC2)N1 ZINC001239367317 834396107 /nfs/dbraw/zinc/39/61/07/834396107.db2.gz QBGVJZMWIKKYFP-FZMZJTMJSA-N 1 3 311.455 -0.486 20 0 DBADHO O[C@@H](C[NH2+]C[C@]1(O)CCNC[C@@H]1F)COCc1ccco1 ZINC001245975652 834405559 /nfs/dbraw/zinc/40/55/59/834405559.db2.gz PPTGQXZQODKVCF-FPMFFAJLSA-N 1 3 302.346 -0.191 20 0 DBADHO COC(=O)[C@@H]1CNCCN1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246023176 834410656 /nfs/dbraw/zinc/41/06/56/834410656.db2.gz MBCUTSYISRQSPL-SOUVJXGZSA-N 1 3 307.394 -0.636 20 0 DBADHO CCOC(=O)[C@@H]1CNCCN1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246029891 834411491 /nfs/dbraw/zinc/41/14/91/834411491.db2.gz MYRKDOGYOSRCAL-HRCADAONSA-N 1 3 321.421 -0.246 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CO1 ZINC001246084518 834415745 /nfs/dbraw/zinc/41/57/45/834415745.db2.gz TUTWSMRWSJFNAJ-ZJQBRPOHSA-N 1 3 304.362 -0.251 20 0 DBADHO CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CO1 ZINC001246084508 834416171 /nfs/dbraw/zinc/41/61/71/834416171.db2.gz TUTWSMRWSJFNAJ-KZVDOYCCSA-N 1 3 304.362 -0.251 20 0 DBADHO O=C([C@@H]1C[C@H](N[C@@H]2CCNC[C@@H]2F)C[NH2+]1)N1CCSC1 ZINC001246086839 834417718 /nfs/dbraw/zinc/41/77/18/834417718.db2.gz MKMIVOIMXTWSHD-YFKTTZPYSA-N 1 3 302.419 -0.461 20 0 DBADHO O=C([C@@H]1C[C@@H](N[C@@H]2CCNC[C@@H]2F)C[NH2+]1)N1CCSC1 ZINC001246205344 834423507 /nfs/dbraw/zinc/42/35/07/834423507.db2.gz MKMIVOIMXTWSHD-KXNHARMFSA-N 1 3 302.419 -0.461 20 0 DBADHO CCOC(=O)[C@@H]1C[C@@H](NC2CN(C3CC[NH2+]CC3)C2)CCN1 ZINC001246215560 834424913 /nfs/dbraw/zinc/42/49/13/834424913.db2.gz QLAMJPOQLAMPGT-WFASDCNBSA-N 1 3 310.442 -0.304 20 0 DBADHO CC[C@]1(C(=O)OC)C[C@@H](NCCOCCOCC[NH3+])CN1 ZINC001246285305 834427502 /nfs/dbraw/zinc/42/75/02/834427502.db2.gz RGBWEPHJFONISW-TZMCWYRMSA-N 1 3 303.403 -0.748 20 0 DBADHO COCCOc1cc(CN[C@H]2CCNC3(C[NH2+]C3)C2)ncn1 ZINC001246434597 834435151 /nfs/dbraw/zinc/43/51/51/834435151.db2.gz NPNUXXIZRZMGFK-LBPRGKRZSA-N 1 3 307.398 -0.315 20 0 DBADHO CN(C[C@H]1CNCCO1)[C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246551076 834440221 /nfs/dbraw/zinc/44/02/21/834440221.db2.gz OUWFAYBEAYDXLV-XQQFMLRXSA-N 1 3 314.455 -0.830 20 0 DBADHO CNC(=O)CN1CCOC[C@]2(CCCN(C3CC[NH2+]CC3)C2)C1 ZINC001246711683 834451060 /nfs/dbraw/zinc/45/10/60/834451060.db2.gz VQTMECCXCWEOGH-QGZVFWFLSA-N 1 3 324.469 -0.101 20 0 DBADHO N[C@@H]1CN([C@@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[C@H]1F ZINC001246833665 834456946 /nfs/dbraw/zinc/45/69/46/834456946.db2.gz GAOWOSTVIRRMSK-QCNOEVLYSA-N 1 3 302.419 -0.379 20 0 DBADHO COC(=O)[C@H]1COCCC12CN([C@@H]1CCNC3(C[NH2+]C3)C1)C2 ZINC001246854248 834458563 /nfs/dbraw/zinc/45/85/63/834458563.db2.gz PQELVJFRIRQWMD-CHWSQXEVSA-N 1 3 309.410 -0.408 20 0 DBADHO COC(=O)[C@@H]1C[C@H](N2CCN(CC3CC[NH+](C)CC3)CC2)CN1 ZINC001246944827 834464019 /nfs/dbraw/zinc/46/40/19/834464019.db2.gz CQVFYJBQYBXWQX-HOTGVXAUSA-N 1 3 324.469 -0.151 20 0 DBADHO COC(=O)[C@@H]1CC[C@H](N2CCC(N3CC[C@H]([NH3+])C3)CC2)CN1 ZINC001246979234 834465905 /nfs/dbraw/zinc/46/59/05/834465905.db2.gz XWUOTSLUPHASMM-QEJZJMRPSA-N 1 3 310.442 -0.223 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[NH2+]CCC[C@@H]1F)O3 ZINC001247006809 834468193 /nfs/dbraw/zinc/46/81/93/834468193.db2.gz AICUWSSLPVIKSJ-FHUSYTEZSA-N 1 3 319.402 -0.779 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[NH2+]CC[C@@H]1F)O3 ZINC001247013795 834468959 /nfs/dbraw/zinc/46/89/59/834468959.db2.gz YVEFLIQCIFVHDS-FHUSYTEZSA-N 1 3 319.402 -0.779 20 0 DBADHO C[C@H](C1CC[NH2+]CC1)N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247010383 834469146 /nfs/dbraw/zinc/46/91/46/834469146.db2.gz OCHVRRXNKATLCP-ZZVYKPCYSA-N 1 3 315.439 -0.481 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@@H]1CC[C@@H]2NCCO[C@H]12 ZINC001247013803 834469276 /nfs/dbraw/zinc/46/92/76/834469276.db2.gz YWQUHSJUNDLSCV-ITGHMWBKSA-N 1 3 315.439 -0.481 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCC[NH2+]CC1)O3 ZINC001247013349 834469390 /nfs/dbraw/zinc/46/93/90/834469390.db2.gz WRLSUVNBVJQNRR-NDBYEHHHSA-N 1 3 301.412 -0.727 20 0 DBADHO C[NH2+]C1CCC(N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)CC1 ZINC001247010188 834469767 /nfs/dbraw/zinc/46/97/67/834469767.db2.gz NJCKNFQTYUAUPH-LSUUEXMVSA-N 1 3 315.439 -0.338 20 0 DBADHO NC(=O)CC[C@H]([NH3+])Cc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001248647164 834475518 /nfs/dbraw/zinc/47/55/18/834475518.db2.gz CANUNKOXYDMGMH-JTQLQIEISA-N 1 3 316.365 -0.087 20 0 DBADHO N=C(N)N(CCCC[NH3+])C(=O)c1cccc(OCCO)c1O ZINC001193353293 834487999 /nfs/dbraw/zinc/48/79/99/834487999.db2.gz PKBRFGIUSNMAID-UHFFFAOYSA-N 1 3 310.354 -0.162 20 0 DBADHO C[C@]1(C2CC[NH+](C[C@@H](O)CN3CCCC3)CC2)NC(=O)NC1=O ZINC001252732670 834552029 /nfs/dbraw/zinc/55/20/29/834552029.db2.gz KNWMYOZQQQYDHC-XJKSGUPXSA-N 1 3 324.425 -0.247 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194009963 834558149 /nfs/dbraw/zinc/55/81/49/834558149.db2.gz HBOAJTMHLSUVCB-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194009963 834558159 /nfs/dbraw/zinc/55/81/59/834558159.db2.gz HBOAJTMHLSUVCB-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(=O)N[C@@H](CCCCNC[C@H](O)C[NH2+]C(C)(C)C)C(N)=O ZINC001253407534 834569892 /nfs/dbraw/zinc/56/98/92/834569892.db2.gz MSOWLIUWFHAPBT-STQMWFEESA-N 1 3 316.446 -0.515 20 0 DBADHO CC(=O)N[C@@H](CCCC[NH2+]C[C@H](O)CNC(C)(C)C)C(N)=O ZINC001253407534 834569901 /nfs/dbraw/zinc/56/99/01/834569901.db2.gz MSOWLIUWFHAPBT-STQMWFEESA-N 1 3 316.446 -0.515 20 0 DBADHO CCOC1CC(CN2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001195859607 834731422 /nfs/dbraw/zinc/73/14/22/834731422.db2.gz LUWNFVGOOLBBIG-NEXFUWMNSA-N 1 3 313.442 -0.086 20 0 DBADHO CO[C@H]1CCN(C(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC001261320920 834776039 /nfs/dbraw/zinc/77/60/39/834776039.db2.gz OXVSHGWWJSORQC-ZDUSSCGKSA-N 1 3 314.430 -0.815 20 0 DBADHO COC[C@@H](O)CN1CCCN(C(=O)CCC[NH+](C)C)CC1 ZINC001196970406 834822792 /nfs/dbraw/zinc/82/27/92/834822792.db2.gz CINYMGYFOHATCQ-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001261635880 834823705 /nfs/dbraw/zinc/82/37/05/834823705.db2.gz RTCJQBPDHMNXJS-YPMHNXCESA-N 1 3 312.414 -0.920 20 0 DBADHO COC[C@H](O)CN1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197021617 834826461 /nfs/dbraw/zinc/82/64/61/834826461.db2.gz AHNKPHWZCQDZCI-OAHLLOKOSA-N 1 3 313.442 -0.130 20 0 DBADHO [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC001262069942 834902173 /nfs/dbraw/zinc/90/21/73/834902173.db2.gz NIYOOJVIQGCPOV-CRWXNKLISA-N 1 3 308.426 -0.027 20 0 DBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001262071192 834903164 /nfs/dbraw/zinc/90/31/64/834903164.db2.gz SVEAZNLSZSSYEG-YRGRVCCFSA-N 1 3 324.425 -0.696 20 0 DBADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197791586 834903914 /nfs/dbraw/zinc/90/39/14/834903914.db2.gz FLCIPATURJCTIF-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001197791586 834903918 /nfs/dbraw/zinc/90/39/18/834903918.db2.gz FLCIPATURJCTIF-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001197817539 834906251 /nfs/dbraw/zinc/90/62/51/834906251.db2.gz LOVHWVDSAQTEJJ-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO COC[C@@H](O)CN1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001197817539 834906256 /nfs/dbraw/zinc/90/62/56/834906256.db2.gz LOVHWVDSAQTEJJ-CABCVRRESA-N 1 3 313.442 -0.130 20 0 DBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCCCCF)C[C@H]1O ZINC001197826483 834906730 /nfs/dbraw/zinc/90/67/30/834906730.db2.gz ZABMKKOFGIVKRY-ZIAGYGMSSA-N 1 3 319.421 -0.134 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826478 834907276 /nfs/dbraw/zinc/90/72/76/834907276.db2.gz YXLMKSFVOZXPQW-ZIAGYGMSSA-N 1 3 317.430 -0.848 20 0 DBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926404 834914415 /nfs/dbraw/zinc/91/44/15/834914415.db2.gz KZJCKAOOLSMKHK-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CN2CCN1C[C@H]2C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001263206734 834974884 /nfs/dbraw/zinc/97/48/84/834974884.db2.gz HLDLSLIHGKUSSR-CVEARBPZSA-N 1 3 323.485 -0.434 20 0 DBADHO O=C(NCCCCCN1CC[NH2+]CC1)c1[nH]nc2c1CNCC2 ZINC001263208054 834976350 /nfs/dbraw/zinc/97/63/50/834976350.db2.gz ZMAFPUMSFPLEDA-UHFFFAOYSA-N 1 3 320.441 -0.139 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCCC[C@H]1C[NH2+]CCOCCO ZINC001265684588 835163673 /nfs/dbraw/zinc/16/36/73/835163673.db2.gz YILOMLMVVBJMPT-AWEZNQCLSA-N 1 3 310.398 -0.068 20 0 DBADHO CN(C)[C@H](C(=O)N1CCC([NH2+]CCOCCO)CC1)C1CC1 ZINC001201053812 835166377 /nfs/dbraw/zinc/16/63/77/835166377.db2.gz YFRWBZDJARUDON-HNNXBMFYSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201262946 835179468 /nfs/dbraw/zinc/17/94/68/835179468.db2.gz WHOPMVBKFQKTLN-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(N)=O ZINC001201319054 835182538 /nfs/dbraw/zinc/18/25/38/835182538.db2.gz RHTXXHMWSIVBIZ-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201334247 835183348 /nfs/dbraw/zinc/18/33/48/835183348.db2.gz HRDRRROPZOPLKM-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CN[C@H]2CCNC2=O)C1 ZINC001201333777 835183508 /nfs/dbraw/zinc/18/35/08/835183508.db2.gz COCFLELYDCNSIZ-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CN[C@H]2CCNC2=O)C1 ZINC001201333779 835183722 /nfs/dbraw/zinc/18/37/22/835183722.db2.gz COCFLELYDCNSIZ-STQMWFEESA-N 1 3 312.414 -0.966 20 0 DBADHO C[NH+](C)CCC(=O)N1CCCO[C@@H](CN[C@@H]2CCNC2=O)C1 ZINC001201333778 835183842 /nfs/dbraw/zinc/18/38/42/835183842.db2.gz COCFLELYDCNSIZ-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336284 835183999 /nfs/dbraw/zinc/18/39/99/835183999.db2.gz UCWXQTPZLLZDJP-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)[C@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+](C)C ZINC001201343146 835184658 /nfs/dbraw/zinc/18/46/58/835184658.db2.gz BBTAAGYFYWJACM-GXTWGEPZSA-N 1 3 314.430 -0.735 20 0 DBADHO CC(C)[C@H](C(=O)N1CCCO[C@H](C[NH2+]CCO)C1)N(C)C ZINC001201344399 835184712 /nfs/dbraw/zinc/18/47/12/835184712.db2.gz REACJRPRZXGYRN-ZIAGYGMSSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001201403672 835189333 /nfs/dbraw/zinc/18/93/33/835189333.db2.gz ONHKPXNINCFRSS-LSDHHAIUSA-N 1 3 313.442 -0.082 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001201679324 835202423 /nfs/dbraw/zinc/20/24/23/835202423.db2.gz VVWWPVHGSBNUJF-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871161 835216698 /nfs/dbraw/zinc/21/66/98/835216698.db2.gz GTYPLSRHRUBTBA-STQMWFEESA-N 1 3 324.425 -0.837 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001201932337 835220676 /nfs/dbraw/zinc/22/06/76/835220676.db2.gz WXHWKEACSHUGJM-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001201932508 835221206 /nfs/dbraw/zinc/22/12/06/835221206.db2.gz ZUHDDPFUWBIVFR-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001201932023 835221562 /nfs/dbraw/zinc/22/15/62/835221562.db2.gz REHGHABWNORYBM-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+]CCOCCO)CC2)C1 ZINC001202496723 835252268 /nfs/dbraw/zinc/25/22/68/835252268.db2.gz WCKYVJZLLOKPNP-CQSZACIVSA-N 1 3 313.442 -0.082 20 0 DBADHO CCCN(C)CC(=O)N1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC001203455096 835296806 /nfs/dbraw/zinc/29/68/06/835296806.db2.gz CRORJBYZGMKRGK-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001204793289 835327716 /nfs/dbraw/zinc/32/77/16/835327716.db2.gz DTGJGMXGMIZBDC-OAHLLOKOSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)C[NH2+]C[C@@H]1O ZINC001204856063 835329773 /nfs/dbraw/zinc/32/97/73/835329773.db2.gz FCRWIUUNYJPHNJ-WFASDCNBSA-N 1 3 301.350 -0.001 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC(C[NH2+]CCO)CC1 ZINC001205719196 835353410 /nfs/dbraw/zinc/35/34/10/835353410.db2.gz DCHLTTLFQJVEDX-ISXOHVOVSA-N 1 3 323.437 -0.330 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206411530 835397073 /nfs/dbraw/zinc/39/70/73/835397073.db2.gz UFBCROSCLMPIRA-LLVKDONJSA-N 1 3 307.398 -0.085 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@H+](CCOCCO)C2)CCC1 ZINC001267295375 835479762 /nfs/dbraw/zinc/47/97/62/835479762.db2.gz UWUQUVBQFUCFHR-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H]2CC[N@@H+](CCOCCO)C2)CCC1 ZINC001267295375 835479766 /nfs/dbraw/zinc/47/97/66/835479766.db2.gz UWUQUVBQFUCFHR-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001267989914 835617198 /nfs/dbraw/zinc/61/71/98/835617198.db2.gz OWCMMEOAPSBSJT-YPMHNXCESA-N 1 3 324.425 -0.382 20 0 DBADHO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001268055220 835627089 /nfs/dbraw/zinc/62/70/89/835627089.db2.gz NFVZYEWJGMRLML-STQMWFEESA-N 1 3 324.425 -0.334 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]CCn2cccn2)CCC1 ZINC001268306360 835655740 /nfs/dbraw/zinc/65/57/40/835655740.db2.gz AQLFLEHLLLBAAS-ZDUSSCGKSA-N 1 3 309.414 -0.566 20 0 DBADHO C[C@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)C1(N(C)C)CCC1 ZINC001268369306 835679018 /nfs/dbraw/zinc/67/90/18/835679018.db2.gz VEAWTFGDPWEDPW-NEPJUHHUSA-N 1 3 324.425 -0.240 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001268542945 835724196 /nfs/dbraw/zinc/72/41/96/835724196.db2.gz SSHJKOREEKDJCX-FGCBAJGYSA-N 1 3 308.426 -0.133 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001268542945 835724199 /nfs/dbraw/zinc/72/41/99/835724199.db2.gz SSHJKOREEKDJCX-FGCBAJGYSA-N 1 3 308.426 -0.133 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001268669033 835772421 /nfs/dbraw/zinc/77/24/21/835772421.db2.gz FFDRIONJQIPYPG-NEPJUHHUSA-N 1 3 312.414 -0.430 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001485218891 1013057981 /nfs/dbraw/zinc/05/79/81/1013057981.db2.gz XTXGDRSRCIHCCS-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001485941296 1013438767 /nfs/dbraw/zinc/43/87/67/1013438767.db2.gz NSLZKIFDIJVLNO-NWDGAFQWSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@@H]1CCC(=O)NC1=O ZINC001485941296 1013438776 /nfs/dbraw/zinc/43/87/76/1013438776.db2.gz NSLZKIFDIJVLNO-NWDGAFQWSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCC(=O)NC1=O ZINC001485941299 1013439689 /nfs/dbraw/zinc/43/96/89/1013439689.db2.gz NSLZKIFDIJVLNO-RYUDHWBXSA-N 1 3 312.414 -0.430 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](C)N[C@H]1CCC(=O)NC1=O ZINC001485941299 1013439708 /nfs/dbraw/zinc/43/97/08/1013439708.db2.gz NSLZKIFDIJVLNO-RYUDHWBXSA-N 1 3 312.414 -0.430 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001485954914 1013448140 /nfs/dbraw/zinc/44/81/40/1013448140.db2.gz AUFMAILTCLBZQP-NWDGAFQWSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001485954914 1013448154 /nfs/dbraw/zinc/44/81/54/1013448154.db2.gz AUFMAILTCLBZQP-NWDGAFQWSA-N 1 3 305.444 -0.581 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001486095098 1013672111 /nfs/dbraw/zinc/67/21/11/1013672111.db2.gz GKKCPNCTSYXPTC-MNOVXSKESA-N 1 3 313.402 -0.900 20 0 DBADHO CO[C@@H](C)C[NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001486282071 1013781548 /nfs/dbraw/zinc/78/15/48/1013781548.db2.gz YOBTZIOPWYKISW-STQMWFEESA-N 1 3 301.431 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ZINC001052572724 977767710 /nfs/dbraw/zinc/76/77/10/977767710.db2.gz QPQPJUPHFUPVMT-DGNOSDGRSA-N 1 3 323.437 -0.187 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001207687831 978237819 /nfs/dbraw/zinc/23/78/19/978237819.db2.gz JDSFZKQBUZYILW-UONOGXRCSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H](COCC(=O)N[C@@H]1CN(CCO)C[C@H]1C)[NH+]1CCCC1 ZINC001208739418 978403759 /nfs/dbraw/zinc/40/37/59/978403759.db2.gz SNPZEQUFAHOMTC-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001209668927 978471056 /nfs/dbraw/zinc/47/10/56/978471056.db2.gz KKVODQWAFWAAGW-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001209669635 978471911 /nfs/dbraw/zinc/47/19/11/978471911.db2.gz RCYGTABBYQFWTP-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001210220749 978503861 /nfs/dbraw/zinc/50/38/61/978503861.db2.gz WLWDHUZSJPOELU-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001210277818 978507276 /nfs/dbraw/zinc/50/72/76/978507276.db2.gz WDZVAQSAOLOBHJ-QLFBSQMISA-N 1 3 313.442 -0.226 20 0 DBADHO C[C@@H]1CN(CCOCCO)C[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001210277818 978507284 /nfs/dbraw/zinc/50/72/84/978507284.db2.gz WDZVAQSAOLOBHJ-QLFBSQMISA-N 1 3 313.442 -0.226 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673797 978525413 /nfs/dbraw/zinc/52/54/13/978525413.db2.gz IDHNGMCNLJERQF-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210673797 978525418 /nfs/dbraw/zinc/52/54/18/978525418.db2.gz IDHNGMCNLJERQF-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CCC[C@H](N[C@H]2CCNC2=O)C1 ZINC001210685686 978527958 /nfs/dbraw/zinc/52/79/58/978527958.db2.gz XKYPTJAGEFLHMX-STQMWFEESA-N 1 3 312.414 -0.966 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CCC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001210685683 978528300 /nfs/dbraw/zinc/52/83/00/978528300.db2.gz XKYPTJAGEFLHMX-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064513 978554114 /nfs/dbraw/zinc/55/41/14/978554114.db2.gz OJQCKXAYLIKEEU-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064513 978554119 /nfs/dbraw/zinc/55/41/19/978554119.db2.gz OJQCKXAYLIKEEU-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N(C)C ZINC001214661943 978747227 /nfs/dbraw/zinc/74/72/27/978747227.db2.gz LYMSTEGEEFLISF-AAVRWANBSA-N 1 3 310.442 -0.149 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1NCC(=O)N(C)C ZINC001214661943 978747230 /nfs/dbraw/zinc/74/72/30/978747230.db2.gz LYMSTEGEEFLISF-AAVRWANBSA-N 1 3 310.442 -0.149 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664231 978748919 /nfs/dbraw/zinc/74/89/19/978748919.db2.gz RLXFZXHAZYJYRW-AAVRWANBSA-N 1 3 310.442 -0.101 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214664231 978748921 /nfs/dbraw/zinc/74/89/21/978748921.db2.gz RLXFZXHAZYJYRW-AAVRWANBSA-N 1 3 310.442 -0.101 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001214861242 978754054 /nfs/dbraw/zinc/75/40/54/978754054.db2.gz MKAPSVWNGVAGTH-BPLDGKMQSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214855730 978754542 /nfs/dbraw/zinc/75/45/42/978754542.db2.gz MCSUOJUOCVMPPW-UXIGCNINSA-N 1 3 310.442 -0.149 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001214952677 978757129 /nfs/dbraw/zinc/75/71/29/978757129.db2.gz HHKAJWGZAUEWAG-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001215571255 978772280 /nfs/dbraw/zinc/77/22/80/978772280.db2.gz HHKAJWGZAUEWAG-MCIONIFRSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215536139 978772457 /nfs/dbraw/zinc/77/24/57/978772457.db2.gz JTYJVHKBUJXEPS-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CCOCCO)C2)C1 ZINC001215540579 978772577 /nfs/dbraw/zinc/77/25/77/978772577.db2.gz MUTZOPNFACNAGE-RBSFLKMASA-N 1 3 313.442 -0.226 20 0 DBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCC(=O)NC1CC1 ZINC001216405435 978785729 /nfs/dbraw/zinc/78/57/29/978785729.db2.gz MVNXRCWMWJTAED-TZMCWYRMSA-N 1 3 320.437 -0.203 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001216498993 978787182 /nfs/dbraw/zinc/78/71/82/978787182.db2.gz CISQHGVBOYJOPK-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001217005020 978798126 /nfs/dbraw/zinc/79/81/26/978798126.db2.gz FNFAFPMOWCXKBY-MBNYWOFBSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1CN(CCc2nnc(C34CNCC3C[NH2+]C4)o2)C[C@@H](C)O1 ZINC001217708184 978813417 /nfs/dbraw/zinc/81/34/17/978813417.db2.gz WTYOUAXYYAZATO-LFOFOYIVSA-N 1 3 321.425 -0.218 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C[NH2+]C[C@H]1C ZINC001218034755 978818551 /nfs/dbraw/zinc/81/85/51/978818551.db2.gz CINZIIVEYQZIDW-RKDXNWHRSA-N 1 3 324.381 -0.253 20 0 DBADHO c1cc(OC[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)n2nc3c(c2n1)CNCC3 ZINC001218084530 978820575 /nfs/dbraw/zinc/82/05/75/978820575.db2.gz PRVCUATXWJYVRE-JTNHKYCSSA-N 1 3 315.377 -0.012 20 0 DBADHO c1cc(O[C@@H]2COC3(C[NH2+]C3)C2)n2nc3c(c2n1)CNCC3 ZINC001218060888 978820920 /nfs/dbraw/zinc/82/09/20/978820920.db2.gz URUMINLBNKHDMX-JTQLQIEISA-N 1 3 301.350 -0.115 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)Nc1cccnn1 ZINC001218509196 978825352 /nfs/dbraw/zinc/82/53/52/978825352.db2.gz JDMCYHKLAABZHT-RYUDHWBXSA-N 1 3 320.397 -0.138 20 0 DBADHO Cc1nonc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218562851 978831068 /nfs/dbraw/zinc/83/10/68/978831068.db2.gz DKOJPUAYVRIOSK-QWRGUYRKSA-N 1 3 324.385 -0.236 20 0 DBADHO CN(C)c1ccncc1NC(=O)CN(CC[NH3+])S(C)(=O)=O ZINC001218562968 978831621 /nfs/dbraw/zinc/83/16/21/978831621.db2.gz JFSGMJKOIMITQV-UHFFFAOYSA-N 1 3 315.399 -0.694 20 0 DBADHO CN1CCN(c2ncc(NC(=O)[C@@H](N)CCCC[NH3+])cn2)CC1 ZINC001218580621 978834202 /nfs/dbraw/zinc/83/42/02/978834202.db2.gz VCUXKGGNUNCMEA-ZDUSSCGKSA-N 1 3 321.429 -0.377 20 0 DBADHO COC(=O)c1cncc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)n1 ZINC001218579547 978834211 /nfs/dbraw/zinc/83/42/11/978834211.db2.gz FMCISZJIZDYKCI-YMTOWFKASA-N 1 3 305.338 -0.599 20 0 DBADHO Cc1nc(NC(=O)[C@@H](N)CCC[NH3+])cc(N2CCOCC2)n1 ZINC001218621513 978838322 /nfs/dbraw/zinc/83/83/22/978838322.db2.gz VYVKNPCDECOAQA-NSHDSACASA-N 1 3 308.386 -0.374 20 0 DBADHO O=C(Nc1cc([C@@H]2CCCN2)no1)[C@@H]1NC(=O)CC12C[NH2+]C2 ZINC001218713570 978847224 /nfs/dbraw/zinc/84/72/24/978847224.db2.gz SPWNVQVERUVBAU-UFBFGSQYSA-N 1 3 305.338 -0.484 20 0 DBADHO COC[C@H](C)Oc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)[nH]n1 ZINC001218720116 978848420 /nfs/dbraw/zinc/84/84/20/978848420.db2.gz XWEMTTIKZFBYTD-UWVGGRQHSA-N 1 3 309.370 -0.429 20 0 DBADHO COc1nc(NC(=O)[C@H]2C[NH2+]CC23CNC3)c(C)c(OC)n1 ZINC001218768037 978852326 /nfs/dbraw/zinc/85/23/26/978852326.db2.gz HCAWYPPFEKWCHT-SECBINFHSA-N 1 3 307.354 -0.450 20 0 DBADHO COC(=O)c1c[nH]c2ncnc(NC(=O)[C@H](N)CCC[NH3+])c12 ZINC001218772856 978852500 /nfs/dbraw/zinc/85/25/00/978852500.db2.gz XOKZFFCKOORGGK-MRVPVSSYSA-N 1 3 306.326 -0.251 20 0 DBADHO C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1ccc(C[NH3+])cc1)C(N)=O ZINC001219349667 978919995 /nfs/dbraw/zinc/91/99/95/978919995.db2.gz STUQXYRPCJLYKW-JOYOIKCWSA-N 1 3 321.381 -0.819 20 0 DBADHO COc1cc2c(cc1NC(=O)[C@@H](O)CN)NC(=O)[C@@]21CC[NH2+]C1 ZINC001219501556 978954084 /nfs/dbraw/zinc/95/40/84/978954084.db2.gz WPMUDDWXCIMKRC-XHDPSFHLSA-N 1 3 320.349 -0.864 20 0 DBADHO CN1CCNC[C@@H]1C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@H]1O2 ZINC001219540560 978961052 /nfs/dbraw/zinc/96/10/52/978961052.db2.gz HEDZUJDCQKLOAK-ZKYQVNSYSA-N 1 3 302.378 -0.024 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610307 978978959 /nfs/dbraw/zinc/97/89/59/978978959.db2.gz NKUZYJMUYNQSKM-CMRPPPNUSA-N 1 3 301.334 -0.507 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H](CNC(=O)[C@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001219641225 978987702 /nfs/dbraw/zinc/98/77/02/978987702.db2.gz GQZPNTHRSFNCFX-QJPTWQEYSA-N 1 3 315.439 -0.875 20 0 DBADHO COC(=O)c1csc(CNC(=O)[C@H]2C[NH2+]CC23CNC3)n1 ZINC001219667385 978989636 /nfs/dbraw/zinc/98/96/36/978989636.db2.gz YBSKGSRAEUITOF-MRVPVSSYSA-N 1 3 310.379 -0.645 20 0 DBADHO CCOC(=O)c1nc[nH]c1CNC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001219676577 978992284 /nfs/dbraw/zinc/99/22/84/978992284.db2.gz PNIDWMXRGYPGFV-SECBINFHSA-N 1 3 307.354 -0.988 20 0 DBADHO Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1C[NH2+]CC13CNC3)C(=O)N2 ZINC001219687587 978996381 /nfs/dbraw/zinc/99/63/81/978996381.db2.gz UGMDFGVYGSMLCM-YPMHNXCESA-N 1 3 300.362 -0.087 20 0 DBADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001219737344 979002419 /nfs/dbraw/zinc/00/24/19/979002419.db2.gz UBKIKHCLWVBGRU-XEZPLFJOSA-N 1 3 309.410 -0.360 20 0 DBADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc2c(n1)CCNC2 ZINC001219739319 979003968 /nfs/dbraw/zinc/00/39/68/979003968.db2.gz LTKDYXPRALTMRU-LBPRGKRZSA-N 1 3 302.378 -0.164 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741217 979004967 /nfs/dbraw/zinc/00/49/67/979004967.db2.gz DACJRWCMHHWGRX-KGLIPLIRSA-N 1 3 321.425 -0.293 20 0 DBADHO O=C(NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ncn2c1CNCC2 ZINC001219769162 979009850 /nfs/dbraw/zinc/00/98/50/979009850.db2.gz TYYBQHGIBIGMTK-NEPJUHHUSA-N 1 3 304.398 -0.990 20 0 DBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ncn2c1CNCC2 ZINC001219769162 979009858 /nfs/dbraw/zinc/00/98/58/979009858.db2.gz TYYBQHGIBIGMTK-NEPJUHHUSA-N 1 3 304.398 -0.990 20 0 DBADHO O=C(NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ncn2c1CNCC2 ZINC001219769162 979009861 /nfs/dbraw/zinc/00/98/61/979009861.db2.gz TYYBQHGIBIGMTK-NEPJUHHUSA-N 1 3 304.398 -0.990 20 0 DBADHO N[C@H]1CCCCN(CC(=O)NC[C@@]2(F)CCC[NH2+]C2)C1=O ZINC001219768065 979010184 /nfs/dbraw/zinc/01/01/84/979010184.db2.gz JKJSMVJOVZYISD-SMDDNHRTSA-N 1 3 300.378 -0.466 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219799863 979017050 /nfs/dbraw/zinc/01/70/50/979017050.db2.gz FDXHMDVRFVVAPO-AAEUAGOBSA-N 1 3 307.398 -0.825 20 0 DBADHO O=C(NCc1noc2c1C[NH2+]CC2)c1ncn2c1CNCC2 ZINC001219812934 979022432 /nfs/dbraw/zinc/02/24/32/979022432.db2.gz LUSZWINFUMQYCB-UHFFFAOYSA-N 1 3 302.338 -0.450 20 0 DBADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001219813607 979025151 /nfs/dbraw/zinc/02/51/51/979025151.db2.gz WWHCUGXEFPIVNM-SDADXPQNSA-N 1 3 309.410 -0.503 20 0 DBADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CC[C@]2(C1)CNCCO2 ZINC001219831235 979026492 /nfs/dbraw/zinc/02/64/92/979026492.db2.gz CQWSUIWXLXGSJC-ADVQIIOHSA-N 1 3 309.410 -0.362 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847421 979029915 /nfs/dbraw/zinc/02/99/15/979029915.db2.gz GODBIMKMPTVCDG-ZJQBRPOHSA-N 1 3 312.414 -0.888 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12 ZINC001219847599 979030142 /nfs/dbraw/zinc/03/01/42/979030142.db2.gz LXTAIIFHPNLWCT-NARNDRFESA-N 1 3 312.414 -0.888 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219850478 979032189 /nfs/dbraw/zinc/03/21/89/979032189.db2.gz VJJHNBAWSDJZSJ-DOERSZECSA-N 1 3 307.398 -0.969 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2[NH2+]CCO[C@@H]12)c1cncc2c1CCNC2 ZINC001219849940 979032277 /nfs/dbraw/zinc/03/22/77/979032277.db2.gz JUYRXCLUKBNJMC-SOUVJXGZSA-N 1 3 302.378 -0.024 20 0 DBADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001219850216 979032868 /nfs/dbraw/zinc/03/28/68/979032868.db2.gz OAJKBDJCWAVRSO-NBFUAULTSA-N 1 3 323.437 -0.114 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854697 979033508 /nfs/dbraw/zinc/03/35/08/979033508.db2.gz QKSPBJINMBBNGN-NOOOWODRSA-N 1 3 313.398 -0.591 20 0 DBADHO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219865557 979035045 /nfs/dbraw/zinc/03/50/45/979035045.db2.gz RDGSHLZMSRYCSQ-DUFGSWQCSA-N 1 3 301.390 -0.040 20 0 DBADHO Cn1cc2c(n1)[C@H](CNC(=O)[C@@H](N)CSCC[NH3+])OCC2 ZINC001219888838 979039758 /nfs/dbraw/zinc/03/97/58/979039758.db2.gz VYUFPUUHVXHJFZ-QWRGUYRKSA-N 1 3 313.427 -0.831 20 0 DBADHO N[C@H](CCC(=O)OCc1ccccc1)C(=O)NCC[NH2+]CCO ZINC001219919221 979042812 /nfs/dbraw/zinc/04/28/12/979042812.db2.gz ZRBHXZCPLPNOID-CQSZACIVSA-N 1 3 323.393 -0.465 20 0 DBADHO N[C@@H](C(=O)NC[C@@H](O)COc1ccccc1)C1CC[NH2+]CC1 ZINC001219918794 979043343 /nfs/dbraw/zinc/04/33/43/979043343.db2.gz QXPAPGQDHZZWEG-UKRRQHHQSA-N 1 3 307.394 -0.131 20 0 DBADHO CS(=O)(=O)N(C(=O)[C@H]1NCC[C@@H]1O)c1ccc(C[NH3+])cc1 ZINC001219939073 979047126 /nfs/dbraw/zinc/04/71/26/979047126.db2.gz QHPAZRIOJUWUCR-RYUDHWBXSA-N 1 3 313.379 -0.839 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945290 979048633 /nfs/dbraw/zinc/04/86/33/979048633.db2.gz GVHZOYKODCGHLV-RYUDHWBXSA-N 1 3 303.428 -0.091 20 0 DBADHO CN1CCN(c2cccc(CNC(=O)CNCC[NH3+])c2)CC1 ZINC001219961834 979050851 /nfs/dbraw/zinc/05/08/51/979050851.db2.gz YKLMCXRVINRUFJ-UHFFFAOYSA-N 1 3 305.426 -0.397 20 0 DBADHO CNS(=O)(=O)CCNC(=O)[C@@H](N)CCCC[NH2+]C(C)C ZINC001219961824 979051431 /nfs/dbraw/zinc/05/14/31/979051431.db2.gz XYCWKEMVTFANQL-NSHDSACASA-N 1 3 308.448 -0.853 20 0 DBADHO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H](N)CCCC[NH+](C)C)CN1 ZINC001219965753 979051676 /nfs/dbraw/zinc/05/16/76/979051676.db2.gz ZMEXKAYLZIUIDX-WOPDTQHZSA-N 1 3 300.403 -0.935 20 0 DBADHO COC(=O)C1(NC(=O)C[C@H]2CCNC[C@@H]2F)CC[NH2+]CC1 ZINC001220001196 979057833 /nfs/dbraw/zinc/05/78/33/979057833.db2.gz LDNKOHLXRBRSDO-MNOVXSKESA-N 1 3 301.362 -0.265 20 0 DBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020788 979065044 /nfs/dbraw/zinc/06/50/44/979065044.db2.gz WAJLHDDKDQNNAB-SNVBAGLBSA-N 1 3 309.370 -0.089 20 0 DBADHO N=c1sc2c(n1C(=O)[C@H](N)Cc1c[nH]cn1)CC[C@H]([NH3+])C2 ZINC001220023305 979069432 /nfs/dbraw/zinc/06/94/32/979069432.db2.gz UVKBLIVFQWYGKD-IONNQARKSA-N 1 3 306.395 -0.222 20 0 DBADHO N=c1sc2c(n1C(=O)[C@H](N)Cc1cnc[nH]1)CC[C@H]([NH3+])C2 ZINC001220023305 979069443 /nfs/dbraw/zinc/06/94/43/979069443.db2.gz UVKBLIVFQWYGKD-IONNQARKSA-N 1 3 306.395 -0.222 20 0 DBADHO CCOC(=O)C(=CNC(=O)[C@H](N)CCC[NH3+])C(=O)OCC ZINC001220041656 979075561 /nfs/dbraw/zinc/07/55/61/979075561.db2.gz VLZLFLKRMFZDEC-SNVBAGLBSA-N 1 3 301.343 -0.821 20 0 DBADHO Cc1nc(N)ccc1CNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220071748 979085636 /nfs/dbraw/zinc/08/56/36/979085636.db2.gz PMSPHDYVKQDQDU-CYBMUJFWSA-N 1 3 306.414 -0.661 20 0 DBADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](N)CSCC[NH3+] ZINC001220088715 979090618 /nfs/dbraw/zinc/09/06/18/979090618.db2.gz MVSMQXQINBPLPM-UWVGGRQHSA-N 1 3 321.443 -0.522 20 0 DBADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](N)CCCC[NH3+] ZINC001220088518 979091251 /nfs/dbraw/zinc/09/12/51/979091251.db2.gz FFYWDWZZWCTRAQ-QWRGUYRKSA-N 1 3 303.403 -0.084 20 0 DBADHO N[C@@H](C(=O)NCCC1CCS(=O)(=O)CC1)C1CC[NH2+]CC1 ZINC001220141277 979110041 /nfs/dbraw/zinc/11/00/41/979110041.db2.gz JNTVXXUXTZLEAR-CYBMUJFWSA-N 1 3 317.455 -0.356 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)C2CC[NH2+]CC2)[C@H](C)OC1 ZINC001220139351 979110695 /nfs/dbraw/zinc/11/06/95/979110695.db2.gz QSYWFKNOOLTIPB-CABZTGNLSA-N 1 3 311.382 -0.335 20 0 DBADHO Cn1ccc(CNC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)cc1=O ZINC001220179161 979127956 /nfs/dbraw/zinc/12/79/56/979127956.db2.gz FWAAEXAOEXLHLD-CYBMUJFWSA-N 1 3 304.394 -0.124 20 0 DBADHO Cn1ccc(CNC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)cc1=O ZINC001220179161 979127962 /nfs/dbraw/zinc/12/79/62/979127962.db2.gz FWAAEXAOEXLHLD-CYBMUJFWSA-N 1 3 304.394 -0.124 20 0 DBADHO Cc1nc[nH]c1CSCCNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001220257286 979149383 /nfs/dbraw/zinc/14/93/83/979149383.db2.gz TUUFBHBFWIWPLP-NSHDSACASA-N 1 3 309.439 -0.123 20 0 DBADHO CCOC1CC(CN2C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C2)C1 ZINC001220276866 979150623 /nfs/dbraw/zinc/15/06/23/979150623.db2.gz LUWNFVGOOLBBIG-CVSAEHQPSA-N 1 3 313.442 -0.086 20 0 DBADHO CO[C@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CCC1 ZINC001220277384 979155144 /nfs/dbraw/zinc/15/51/44/979155144.db2.gz YRNCTACAJGEEGG-QLFBSQMISA-N 1 3 313.442 -0.086 20 0 DBADHO O=C(NCc1ncn2c1CNCCC2)[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001220310594 979162598 /nfs/dbraw/zinc/16/25/98/979162598.db2.gz CHITYMSNKNDTSD-UHIISALHSA-N 1 3 305.382 -0.773 20 0 DBADHO [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1ncc(Br)[n-]c1=O ZINC001220398683 979189550 /nfs/dbraw/zinc/18/95/50/979189550.db2.gz IVTVYMPSOKJPLZ-LURJTMIESA-N 1 3 318.175 -0.073 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H](CO)Cc1ccccc1 ZINC001220406543 979191645 /nfs/dbraw/zinc/19/16/45/979191645.db2.gz SMGJLYRKMVFSON-KGLIPLIRSA-N 1 3 311.451 -0.027 20 0 DBADHO CSc1nc(NC(=O)[C@H]2C[NH2+]CC23CNC3)cc(=O)n1C ZINC001220435486 979201358 /nfs/dbraw/zinc/20/13/58/979201358.db2.gz IMXQUTVNBVVCKF-MRVPVSSYSA-N 1 3 309.395 -0.750 20 0 DBADHO CC(C)(C)OC(=O)[C@H](CO)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220479680 979208398 /nfs/dbraw/zinc/20/83/98/979208398.db2.gz UIRCMXNBNAIRGN-JRPNMDOOSA-N 1 3 313.398 -0.996 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NCC2([NH3+])CCCC2)COC1(C)C ZINC001220496963 979211919 /nfs/dbraw/zinc/21/19/19/979211919.db2.gz HZDUZKAENKHFCC-QWRGUYRKSA-N 1 3 312.414 -0.315 20 0 DBADHO CN(CC[NH3+])CCNC(=O)[C@H](N)CCC(=O)OC(C)(C)C ZINC001220517323 979219602 /nfs/dbraw/zinc/21/96/02/979219602.db2.gz GUOROMWRUWRNRN-LLVKDONJSA-N 1 3 302.419 -0.558 20 0 DBADHO O=C(NCc1ccccc1-n1cnnn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220668281 979265340 /nfs/dbraw/zinc/26/53/40/979265340.db2.gz MXIXSJXLHDYWAR-LBPRGKRZSA-N 1 3 313.365 -0.913 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799490 979286997 /nfs/dbraw/zinc/28/69/97/979286997.db2.gz BPDQAPKGNUTWNX-GUBZILKMSA-N 1 3 305.304 -0.064 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2CNCc3ccnn3C2)C[NH2+]C1 ZINC001220825583 979299761 /nfs/dbraw/zinc/29/97/61/979299761.db2.gz NHZJOQDARJSZAH-SNVBAGLBSA-N 1 3 319.365 -0.861 20 0 DBADHO CCC(=O)N1CC[C@H](NC(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220907156 979319976 /nfs/dbraw/zinc/31/99/76/979319976.db2.gz JRPVXMXNPNSORB-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO CCC(=O)N1CC[C@H](NC(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220907156 979319991 /nfs/dbraw/zinc/31/99/91/979319991.db2.gz JRPVXMXNPNSORB-QWHCGFSZSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220919025 979323191 /nfs/dbraw/zinc/32/31/91/979323191.db2.gz PIWZEUXGYFREIX-HIFRSBDPSA-N 1 3 322.453 -0.160 20 0 DBADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220919025 979323207 /nfs/dbraw/zinc/32/32/07/979323207.db2.gz PIWZEUXGYFREIX-HIFRSBDPSA-N 1 3 322.453 -0.160 20 0 DBADHO O=C(N[C@@H]1CCN(c2ccccn2)C1)[C@H]1C[NH2+]CC12CNC2 ZINC001220934527 979329493 /nfs/dbraw/zinc/32/94/93/979329493.db2.gz QJOMBHMIKJXDEE-CHWSQXEVSA-N 1 3 301.394 -0.415 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220937335 979331509 /nfs/dbraw/zinc/33/15/09/979331509.db2.gz PLQIAWHWLJDDFD-AVGNSLFASA-N 1 3 314.430 -0.641 20 0 DBADHO COCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976005 979337678 /nfs/dbraw/zinc/33/76/78/979337678.db2.gz FJNVSDCCLSSTKT-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO COCCCCCN1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976005 979337690 /nfs/dbraw/zinc/33/76/90/979337690.db2.gz FJNVSDCCLSSTKT-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO CN1CCNC[C@@H]1C(=O)NCC1(c2ccccn2)CC[NH2+]CC1 ZINC001221116281 979368935 /nfs/dbraw/zinc/36/89/35/979368935.db2.gz TZQBQETZMSDXMT-CQSZACIVSA-N 1 3 317.437 -0.277 20 0 DBADHO COCCC1([NH3+])CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC1 ZINC001221134369 979369363 /nfs/dbraw/zinc/36/93/63/979369363.db2.gz XNNUFXGPLAYNFC-PRWKNARSSA-N 1 3 305.444 -0.561 20 0 DBADHO O=C(NCc1cc(OCC2CC2)ncn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221158240 979376838 /nfs/dbraw/zinc/37/68/38/979376838.db2.gz VXPVLDFQEYMQLP-ZDUSSCGKSA-N 1 3 317.393 -0.309 20 0 DBADHO COC(=O)[C@](C)(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(F)(F)F ZINC001221218628 979384130 /nfs/dbraw/zinc/38/41/30/979384130.db2.gz BFPNWEOFMKEDRL-JFUSQASVSA-N 1 3 323.315 -0.204 20 0 DBADHO COC(=O)[C@H](CCc1cn(C)cn1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001221257162 979391701 /nfs/dbraw/zinc/39/17/01/979391701.db2.gz ZWUNLXUKYVNGIA-RYUDHWBXSA-N 1 3 311.386 -0.923 20 0 DBADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221357078 979406814 /nfs/dbraw/zinc/40/68/14/979406814.db2.gz LVYDCQSPPVGHBR-KBPBESRZSA-N 1 3 324.469 -0.342 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)CN3CC[NH2+]CC3)CC2)NC1 ZINC001221390115 979411313 /nfs/dbraw/zinc/41/13/13/979411313.db2.gz ACJAMZIIUOCFKT-UHFFFAOYSA-N 1 3 305.426 -0.540 20 0 DBADHO CC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001221381212 979411376 /nfs/dbraw/zinc/41/13/76/979411376.db2.gz ZHJQNUVBTKUICI-AVGNSLFASA-N 1 3 314.430 -0.679 20 0 DBADHO C[C@]1(C(=O)N2CCC(C3=CC=C(N)CN3)CC2)CC[NH2+]C[C@H]1O ZINC001221391631 979412285 /nfs/dbraw/zinc/41/22/85/979412285.db2.gz OEHSWENUEAVAKU-WBVHZDCISA-N 1 3 320.437 -0.085 20 0 DBADHO CN1CCC(CO)(NC(=O)[C@@H]2CCCN([C@@H]3CC[NH2+]C3)C2)CC1 ZINC001221402935 979413635 /nfs/dbraw/zinc/41/36/35/979413635.db2.gz NWYGCZFEXPKRDW-HUUCEWRRSA-N 1 3 324.469 -0.367 20 0 DBADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H](N)CC[S@](C)=O)c1 ZINC001221403704 979415054 /nfs/dbraw/zinc/41/50/54/979415054.db2.gz JPOJRNRXNIHZPJ-QRQYBIJMSA-N 1 3 313.423 -0.093 20 0 DBADHO CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H](N)CCCNC(N)=O)[C@H](C)C1 ZINC001221409270 979417077 /nfs/dbraw/zinc/41/70/77/979417077.db2.gz SXXHDEQAYMHXMB-UPJWGTAASA-N 1 3 313.446 -0.003 20 0 DBADHO CC(C)[N@H+]1CC[C@H](NC(=O)[C@H](N)CCCNC(N)=O)[C@H](C)C1 ZINC001221409270 979417081 /nfs/dbraw/zinc/41/70/81/979417081.db2.gz SXXHDEQAYMHXMB-UPJWGTAASA-N 1 3 313.446 -0.003 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221407937 979418212 /nfs/dbraw/zinc/41/82/12/979418212.db2.gz FIKHJSJYLKIKQS-ZFWWWQNUSA-N 1 3 310.442 -0.020 20 0 DBADHO CCOC(=O)[C@H]1CC2(CN1C[C@H]1COCCN1)CC[NH2+]CC2 ZINC001222216165 979501929 /nfs/dbraw/zinc/50/19/29/979501929.db2.gz YJQKWTTVXQQXNQ-UONOGXRCSA-N 1 3 311.426 -0.018 20 0 DBADHO O=C1CN(Cc2ccc3n2CCNC3)CC2(CC[NH2+]CC2)N1 ZINC001222515704 979516304 /nfs/dbraw/zinc/51/63/04/979516304.db2.gz YDWABFURUGQGRA-UHFFFAOYSA-N 1 3 303.410 -0.355 20 0 DBADHO CN1CC[C@H](N2CCC(CNC(=O)CC[NH+](C)C)CC2)C1=O ZINC001224347246 979569309 /nfs/dbraw/zinc/56/93/09/979569309.db2.gz ZEFAFPLYVCWZBR-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](C(=O)NC1CC[NH+](C[C@@H](O)COC)CC1)N(C)C ZINC001227979296 979667844 /nfs/dbraw/zinc/66/78/44/979667844.db2.gz CZZSMYAKWAKYJS-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO CN(C)CCNC(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC001330793126 979835078 /nfs/dbraw/zinc/83/50/78/979835078.db2.gz AQEOFMRYDSXRHB-UHFFFAOYSA-N 1 3 322.413 -0.234 20 0 DBADHO CN1CCN(C(=O)CCN2CCN([C@H]3CC[NH2+]C3)CC2)CC1 ZINC001346017289 980108905 /nfs/dbraw/zinc/10/89/05/980108905.db2.gz MGMGAXIFGIEXLQ-HNNXBMFYSA-N 1 3 309.458 -0.870 20 0 DBADHO CN1CCN(CCCCNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC001352839847 980756276 /nfs/dbraw/zinc/75/62/76/980756276.db2.gz SHVUNEKBJFPZOF-INIZCTEOSA-N 1 3 312.458 -0.114 20 0 DBADHO O[C@@H](CNCCC[NH+]1CCC(O)CC1)C[C@]1(O)CCOC1 ZINC001356103821 980926031 /nfs/dbraw/zinc/92/60/31/980926031.db2.gz WCICASHEZFAFBX-HUUCEWRRSA-N 1 3 302.415 -0.675 20 0 DBADHO COCCN(CCN(C)C)C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001357499083 981065042 /nfs/dbraw/zinc/06/50/42/981065042.db2.gz LZFHVQOTZZWLIB-CYBMUJFWSA-N 1 3 314.430 -0.780 20 0 DBADHO CO[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)CC[NH+](C)C ZINC001489543181 1014802286 /nfs/dbraw/zinc/80/22/86/1014802286.db2.gz BGLPNYPMTQMYIP-CHWSQXEVSA-N 1 3 323.397 -0.754 20 0 DBADHO 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301.431 -0.183 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC1CC1 ZINC001366343117 983807164 /nfs/dbraw/zinc/80/71/64/983807164.db2.gz IFDULOOIMSIXHX-LBPRGKRZSA-N 1 3 308.426 -0.297 20 0 DBADHO CN1CC[C@H](N[C@H]2CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001366385053 983820076 /nfs/dbraw/zinc/82/00/76/983820076.db2.gz HLJKCGKNWXVBCZ-STQMWFEESA-N 1 3 308.426 -0.251 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001366391984 983822501 /nfs/dbraw/zinc/82/25/01/983822501.db2.gz ZTAJWMJQUZHZJT-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001366391984 983822504 /nfs/dbraw/zinc/82/25/04/983822504.db2.gz ZTAJWMJQUZHZJT-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366405370 983825978 /nfs/dbraw/zinc/82/59/78/983825978.db2.gz SZKFFOKFPPVMMQ-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)Cc1ccn(C)c(=O)c1 ZINC001366594328 983871851 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C[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(=O)NC(N)=O ZINC001366831823 984009756 /nfs/dbraw/zinc/00/97/56/984009756.db2.gz ULUVWCUKSAKLOO-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001367015270 984125569 /nfs/dbraw/zinc/12/55/69/984125569.db2.gz BRSFUNYWKTVYIF-GJZGRUSLSA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@@H](CNCC(=O)Nc1ccon1)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367290176 984252927 /nfs/dbraw/zinc/25/29/27/984252927.db2.gz LZBKGGHZDGVSJD-NWDGAFQWSA-N 1 3 323.397 -0.093 20 0 DBADHO C[C@@H](CNCC(=O)Nc1ccon1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367290176 984252939 /nfs/dbraw/zinc/25/29/39/984252939.db2.gz LZBKGGHZDGVSJD-NWDGAFQWSA-N 1 3 323.397 -0.093 20 0 DBADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001367588039 984390938 /nfs/dbraw/zinc/39/09/38/984390938.db2.gz ZDHUTBLIBQJISQ-OLZOCXBDSA-N 1 3 314.430 -0.938 20 0 DBADHO CCNC(=O)CNC[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001367588039 984390950 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CCN1CC[C@H](NC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001367708628 984555306 /nfs/dbraw/zinc/55/53/06/984555306.db2.gz YQVOAKKJEIRUTD-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](CC)N(C)C ZINC001367740832 984584561 /nfs/dbraw/zinc/58/45/61/984584561.db2.gz NKZVLWMNKNCDFQ-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO COC[C@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001368276773 985023001 /nfs/dbraw/zinc/02/30/01/985023001.db2.gz PAAFJNWRYSDCLW-ZFWWWQNUSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](C)[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001368276773 985023011 /nfs/dbraw/zinc/02/30/11/985023011.db2.gz PAAFJNWRYSDCLW-ZFWWWQNUSA-N 1 3 301.431 -0.086 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1CNCc1nncn1C ZINC001368344479 985104722 /nfs/dbraw/zinc/10/47/22/985104722.db2.gz BTKOLSURBTUXBG-OLZOCXBDSA-N 1 3 308.430 -0.049 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2C1 ZINC001368363454 985116157 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20 0 DBADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1NCC(=O)N(C)C ZINC001368647025 985328328 /nfs/dbraw/zinc/32/83/28/985328328.db2.gz ABQMQLWUBQQUOH-OCCSQVGLSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@H](NCC(=O)NC1CC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001368896202 985549391 /nfs/dbraw/zinc/54/93/91/985549391.db2.gz LCANCZXOPAYKAF-RYUDHWBXSA-N 1 3 308.426 -0.156 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(N)=O)C1 ZINC001369162862 985783059 /nfs/dbraw/zinc/78/30/59/985783059.db2.gz SDRMPSVPCGMRTI-VXGBXAGGSA-N 1 3 300.403 -0.983 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](CNCC(=O)N1CCC1)C1CC1 ZINC001369222311 985814493 /nfs/dbraw/zinc/81/44/93/985814493.db2.gz MINMHAKMUQCERP-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H](CNCC(=O)N1CCC1)C1CC1 ZINC001369222311 985814496 /nfs/dbraw/zinc/81/44/96/985814496.db2.gz MINMHAKMUQCERP-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001369282746 985840572 /nfs/dbraw/zinc/84/05/72/985840572.db2.gz GHURUHRRHGDDIT-MNOVXSKESA-N 1 3 315.418 -0.781 20 0 DBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001369280007 985842435 /nfs/dbraw/zinc/84/24/35/985842435.db2.gz BRCDVAPKVTYVRJ-LBPRGKRZSA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)[C@H](C(=O)N(C)C[C@@H](C)NCC(=O)NC(N)=O)[NH+](C)C ZINC001369291995 985846735 /nfs/dbraw/zinc/84/67/35/985846735.db2.gz JQXGRMJUDPUGJG-ZYHUDNBSSA-N 1 3 315.418 -0.796 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)[NH+](C)C ZINC001369291987 985848171 /nfs/dbraw/zinc/84/81/71/985848171.db2.gz JQXGRMJUDPUGJG-JQWIXIFHSA-N 1 3 315.418 -0.796 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001533509245 1015189398 /nfs/dbraw/zinc/18/93/98/1015189398.db2.gz ONSDYJUMWVXHRM-PUWCWTCHSA-N 1 3 308.426 -0.179 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001533509245 1015189407 /nfs/dbraw/zinc/18/94/07/1015189407.db2.gz ONSDYJUMWVXHRM-PUWCWTCHSA-N 1 3 308.426 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/nfs/dbraw/zinc/27/09/41/1015270941.db2.gz QIEQGMACKNKQFX-LBPRGKRZSA-N 1 3 307.398 -0.131 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001371035912 987184085 /nfs/dbraw/zinc/18/40/85/987184085.db2.gz WXRIXONUBSHDIK-QKGCVVFFSA-N 1 3 322.453 -0.102 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001371035912 987184096 /nfs/dbraw/zinc/18/40/96/987184096.db2.gz WXRIXONUBSHDIK-QKGCVVFFSA-N 1 3 322.453 -0.102 20 0 DBADHO C[C@@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCS(C)(=O)=O ZINC001371828811 987511755 /nfs/dbraw/zinc/51/17/55/987511755.db2.gz DXIWLXGCXLNIPZ-OLZOCXBDSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H](CCNC(=O)CN1CC[C@H](C)C1)[NH2+]CCS(C)(=O)=O ZINC001371828816 987512180 /nfs/dbraw/zinc/51/21/80/987512180.db2.gz DXIWLXGCXLNIPZ-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001371985811 987587369 /nfs/dbraw/zinc/58/73/69/987587369.db2.gz QBEDILPDSOHSHN-AWEZNQCLSA-N 1 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ZINC001373402539 988316827 /nfs/dbraw/zinc/31/68/27/988316827.db2.gz JUPBBZVNNMXOKY-SOUVJXGZSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001373455352 988364647 /nfs/dbraw/zinc/36/46/47/988364647.db2.gz PTXZZOJHDKIMIM-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001373455352 988364655 /nfs/dbraw/zinc/36/46/55/988364655.db2.gz PTXZZOJHDKIMIM-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H](O)COC)C1 ZINC001373509451 988413684 /nfs/dbraw/zinc/41/36/84/988413684.db2.gz LSHBNSOQUNEHTG-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C[C@@H](O)COC)C1 ZINC001373509451 988413698 /nfs/dbraw/zinc/41/36/98/988413698.db2.gz LSHBNSOQUNEHTG-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001373821739 988642200 /nfs/dbraw/zinc/64/22/00/988642200.db2.gz PABVROBBTURUEG-OLZOCXBDSA-N 1 3 319.471 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/nfs/dbraw/zinc/84/55/59/988845559.db2.gz HNNCKUCXTOTNEW-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001374278738 988845565 /nfs/dbraw/zinc/84/55/65/988845565.db2.gz HNNCKUCXTOTNEW-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cncn2C)CC[N@@H+]1C ZINC001374604251 989012269 /nfs/dbraw/zinc/01/22/69/989012269.db2.gz KNKHLPCNBNMNST-MRVWCRGKSA-N 1 3 309.414 -0.673 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cncn2C)CC[N@H+]1C ZINC001374604251 989012282 /nfs/dbraw/zinc/01/22/82/989012282.db2.gz KNKHLPCNBNMNST-MRVWCRGKSA-N 1 3 309.414 -0.673 20 0 DBADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNCc1cnns1 ZINC001374617854 989032803 /nfs/dbraw/zinc/03/28/03/989032803.db2.gz MNYCGEYHHLPVKD-PWSUYJOCSA-N 1 3 313.427 -0.411 20 0 DBADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)CNCc1cnns1 ZINC001374617854 989032808 /nfs/dbraw/zinc/03/28/08/989032808.db2.gz MNYCGEYHHLPVKD-PWSUYJOCSA-N 1 3 313.427 -0.411 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001374653242 989091836 /nfs/dbraw/zinc/09/18/36/989091836.db2.gz KSHWZKPBVJSGIN-DZGCQCFKSA-N 1 3 306.410 -0.010 20 0 DBADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)NC(N)=O ZINC001491486815 1015450180 /nfs/dbraw/zinc/45/01/80/1015450180.db2.gz PRYMWJWNSMGVQY-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)NC(N)=O ZINC001491486815 1015450182 /nfs/dbraw/zinc/45/01/82/1015450182.db2.gz PRYMWJWNSMGVQY-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001374686256 989138876 /nfs/dbraw/zinc/13/88/76/989138876.db2.gz SPTHMESKWSAYTA-BXUZGUMPSA-N 1 3 322.409 -0.698 20 0 DBADHO C[C@H]([NH2+]C[C@@H](O)CNC(=O)c1cccc(CN(C)C)c1)C(N)=O ZINC001374686261 989140334 /nfs/dbraw/zinc/14/03/34/989140334.db2.gz SPTHMESKWSAYTA-SMDDNHRTSA-N 1 3 322.409 -0.698 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001374832152 989248899 /nfs/dbraw/zinc/24/88/99/989248899.db2.gz PCGULGOPZNDKJV-CQSZACIVSA-N 1 3 310.442 -0.147 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001374832152 989248910 /nfs/dbraw/zinc/24/89/10/989248910.db2.gz PCGULGOPZNDKJV-CQSZACIVSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H](CNCC(=O)NCc1ccco1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001374975682 989340625 /nfs/dbraw/zinc/34/06/25/989340625.db2.gz CYSJWKCVWSPWBG-QWHCGFSZSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@@H](CNCC(=O)NCc1ccco1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001374975682 989340636 /nfs/dbraw/zinc/34/06/36/989340636.db2.gz CYSJWKCVWSPWBG-QWHCGFSZSA-N 1 3 322.409 -0.058 20 0 DBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001376257910 989986217 /nfs/dbraw/zinc/98/62/17/989986217.db2.gz QTOFKRXCIPDYFX-QWRGUYRKSA-N 1 3 313.402 -0.994 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN1CCCC1 ZINC001376295805 990005897 /nfs/dbraw/zinc/00/58/97/990005897.db2.gz NURXREKQJCOVBC-AWEZNQCLSA-N 1 3 310.442 -0.049 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN1CCCC1 ZINC001376295805 990005907 /nfs/dbraw/zinc/00/59/07/990005907.db2.gz NURXREKQJCOVBC-AWEZNQCLSA-N 1 3 310.442 -0.049 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001376418782 990054266 /nfs/dbraw/zinc/05/42/66/990054266.db2.gz PKBFUUQWHUYEIN-MELADBBJSA-N 1 3 322.453 -0.147 20 0 DBADHO CCNC(=O)CN[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001376824767 990336275 /nfs/dbraw/zinc/33/62/75/990336275.db2.gz CFBFKKUEHJOIOX-LBPRGKRZSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@H](NC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1)C(N)=O ZINC001376838658 990342277 /nfs/dbraw/zinc/34/22/77/990342277.db2.gz HTOXHJMHYSDYOG-QWHCGFSZSA-N 1 3 324.425 -0.694 20 0 DBADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]C[C@H](O)COC)C1)N(C)C ZINC001376849245 990349375 /nfs/dbraw/zinc/34/93/75/990349375.db2.gz YQJVCAJVQWPIBX-MELADBBJSA-N 1 3 317.430 -0.849 20 0 DBADHO CCN1CC[C@@H](N[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001376857028 990353104 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/nfs/dbraw/zinc/70/63/18/990706318.db2.gz WVSRZASBAJPPTB-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO COC[C@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001377775222 990728390 /nfs/dbraw/zinc/72/83/90/990728390.db2.gz UYEGNVOCOICUCP-RRFJBIMHSA-N 1 3 313.442 -0.132 20 0 DBADHO COC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001377775222 990728397 /nfs/dbraw/zinc/72/83/97/990728397.db2.gz UYEGNVOCOICUCP-RRFJBIMHSA-N 1 3 313.442 -0.132 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(C[C@H](O)Cn2cccn2)C1 ZINC001377874923 990768808 /nfs/dbraw/zinc/76/88/08/990768808.db2.gz RKTFPIKRHGXBIF-CABCVRRESA-N 1 3 323.441 -0.224 20 0 DBADHO C[NH2+]C1CC(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001548554205 1015592243 /nfs/dbraw/zinc/59/22/43/1015592243.db2.gz SEMHOIDVMQQEKF-UHFFFAOYSA-N 1 3 308.426 -0.249 20 0 DBADHO COC[C@@H](O)CN1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378167190 990874006 /nfs/dbraw/zinc/87/40/06/990874006.db2.gz SBDBCQVZMUACTJ-KBPBESRZSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H]1CCN(C[C@@H](O)COC)C1 ZINC001378185640 990876328 /nfs/dbraw/zinc/87/63/28/990876328.db2.gz ALQPOOBSORAZFN-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H]1CCN(C[C@@H](O)COC)C1 ZINC001378185640 990876332 /nfs/dbraw/zinc/87/63/32/990876332.db2.gz ALQPOOBSORAZFN-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)N(C)C ZINC001378243381 990893497 /nfs/dbraw/zinc/89/34/97/990893497.db2.gz HTBFYBFOYZUMRK-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO CN1CCNC[C@@H]1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC001548574102 1015601710 /nfs/dbraw/zinc/60/17/10/1015601710.db2.gz ZEJQWFUQWUZFRW-OUAUKWLOSA-N 1 3 308.348 -0.124 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001378512071 991008153 /nfs/dbraw/zinc/00/81/53/991008153.db2.gz IZSJBPISXYXBCQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001378512071 991008163 /nfs/dbraw/zinc/00/81/63/991008163.db2.gz IZSJBPISXYXBCQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001379003926 991268752 /nfs/dbraw/zinc/26/87/52/991268752.db2.gz CERPNFDWGXBFGF-STQMWFEESA-N 1 3 319.471 -0.287 20 0 DBADHO CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001379003926 991268772 /nfs/dbraw/zinc/26/87/72/991268772.db2.gz CERPNFDWGXBFGF-STQMWFEESA-N 1 3 319.471 -0.287 20 0 DBADHO CN(C)C(=O)CNC[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379041589 991300093 /nfs/dbraw/zinc/30/00/93/991300093.db2.gz KSGRMGIDVGVSKC-AWEZNQCLSA-N 1 3 322.453 -0.003 20 0 DBADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379061711 991311903 /nfs/dbraw/zinc/31/19/03/991311903.db2.gz VDWLMAMNLORXAD-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379061711 991311918 /nfs/dbraw/zinc/31/19/18/991311918.db2.gz VDWLMAMNLORXAD-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2n[nH]c(C)n2)CC[N@@H+]1C ZINC001379209804 991432637 /nfs/dbraw/zinc/43/26/37/991432637.db2.gz NVEAXINIORHTHC-RWMBFGLXSA-N 1 3 324.429 -0.590 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2n[nH]c(C)n2)CC[N@H+]1C ZINC001379209804 991432644 /nfs/dbraw/zinc/43/26/44/991432644.db2.gz NVEAXINIORHTHC-RWMBFGLXSA-N 1 3 324.429 -0.590 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](O)C[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001379257672 991488803 /nfs/dbraw/zinc/48/88/03/991488803.db2.gz KETUXLFFUSGALR-UONOGXRCSA-N 1 3 324.425 -0.708 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001379294253 991525464 /nfs/dbraw/zinc/52/54/64/991525464.db2.gz PVQQSSCAAOLUQQ-QWHCGFSZSA-N 1 3 324.429 -0.828 20 0 DBADHO CCN(CCN[C@@H](C)C(=O)NC)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379303143 991529426 /nfs/dbraw/zinc/52/94/26/991529426.db2.gz IHMDDXKNHJGIMS-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001379327961 991550455 /nfs/dbraw/zinc/55/04/55/991550455.db2.gz MFXSQBQRRWQRJN-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379327961 991550465 /nfs/dbraw/zinc/55/04/65/991550465.db2.gz MFXSQBQRRWQRJN-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491837225 1015644541 /nfs/dbraw/zinc/64/45/41/1015644541.db2.gz IPKPLFYCMABIQT-GFCCVEGCSA-N 1 3 307.398 -0.084 20 0 DBADHO CNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001491843101 1015648975 /nfs/dbraw/zinc/64/89/75/1015648975.db2.gz IXNPYDOXPYPIOE-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]Cc2cncn2C)C1 ZINC001379834675 991949267 /nfs/dbraw/zinc/94/92/67/991949267.db2.gz MPADJIOBBVKWKQ-HIFRSBDPSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)C[NH2+]C[C@@H]1CCCCO1)C(=O)Cc1c[nH]cn1 ZINC001379838299 991954661 /nfs/dbraw/zinc/95/46/61/991954661.db2.gz HKOKYVSJULXPMS-KBPBESRZSA-N 1 3 310.398 -0.070 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@H]1CCCNC1=O ZINC001379854827 991974017 /nfs/dbraw/zinc/97/40/17/991974017.db2.gz JYZNKIDJDQRYPM-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@H]1CCCNC1=O ZINC001379854827 991974034 /nfs/dbraw/zinc/97/40/34/991974034.db2.gz JYZNKIDJDQRYPM-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C)C(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001379929539 992041285 /nfs/dbraw/zinc/04/12/85/992041285.db2.gz YOPVRWCFMUOQAO-ZDUSSCGKSA-N 1 3 308.426 -0.345 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001380266330 992221570 /nfs/dbraw/zinc/22/15/70/992221570.db2.gz BTGLKEBIHBMKCT-STQMWFEESA-N 1 3 316.421 -0.007 20 0 DBADHO NCc1cn([C@H]2CCCN(C(=O)C[C@H]3C[NH2+]CCO3)C2)nn1 ZINC001549047311 1015698636 /nfs/dbraw/zinc/69/86/36/1015698636.db2.gz OMEKFOQQAOWDBY-STQMWFEESA-N 1 3 308.386 -0.721 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)CO[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047065 1015698647 /nfs/dbraw/zinc/69/86/47/1015698647.db2.gz GEKPRXYEEHUIEG-ZIAGYGMSSA-N 1 3 322.413 -0.331 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)CO[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001549047063 1015699220 /nfs/dbraw/zinc/69/92/20/1015699220.db2.gz GEKPRXYEEHUIEG-KGLIPLIRSA-N 1 3 322.413 -0.331 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(CCn3cccn3)C2)C1 ZINC001380574086 992404666 /nfs/dbraw/zinc/40/46/66/992404666.db2.gz PBJMWJUKYUAMHZ-GDBMZVCRSA-N 1 3 321.425 -0.612 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@]2(O)CCN(CCn3cccn3)C2)C1 ZINC001380574086 992404675 /nfs/dbraw/zinc/40/46/75/992404675.db2.gz PBJMWJUKYUAMHZ-GDBMZVCRSA-N 1 3 321.425 -0.612 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]3CCC[C@@]3(C[NH3+])C2)CC1=O ZINC001549134120 1015706409 /nfs/dbraw/zinc/70/64/09/1015706409.db2.gz NNOQYKVDAAIUKP-CKEIUWERSA-N 1 3 322.453 -0.016 20 0 DBADHO C[C@@H](O)CN1CCC[C@@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001380747796 992517719 /nfs/dbraw/zinc/51/77/19/992517719.db2.gz KHEAMSGNMWKRIB-CZUORRHYSA-N 1 3 313.442 -0.348 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001380779028 992537836 /nfs/dbraw/zinc/53/78/36/992537836.db2.gz GPIZJWNPPIIMOD-RYUDHWBXSA-N 1 3 307.398 -0.085 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@H](C)C(=O)NC)C1 ZINC001380907623 992583857 /nfs/dbraw/zinc/58/38/57/992583857.db2.gz AAGUYLKCTBQIRG-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(=O)NC)C1 ZINC001380907628 992584338 /nfs/dbraw/zinc/58/43/38/992584338.db2.gz AAGUYLKCTBQIRG-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H](NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1)C(N)=O ZINC001380911492 992586462 /nfs/dbraw/zinc/58/64/62/992586462.db2.gz GNPYPJWWMBXNBM-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)CCC[NH+](C)C)CC1 ZINC001381255124 992730816 /nfs/dbraw/zinc/73/08/16/992730816.db2.gz OWAQNKGKINTXFX-CYBMUJFWSA-N 1 3 301.431 -0.348 20 0 DBADHO C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001381424148 992799905 /nfs/dbraw/zinc/79/99/05/992799905.db2.gz VGUTVWXAJMLASJ-UWVGGRQHSA-N 1 3 313.402 -0.994 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001381441621 992803502 /nfs/dbraw/zinc/80/35/02/992803502.db2.gz VHGVHXRBAYYHOG-RYUDHWBXSA-N 1 3 314.430 -0.674 20 0 DBADHO COC[C@H](O)C[NH+]1CC([C@H](C)NC(=O)CN(C)C2CCC2)C1 ZINC001381781806 992881514 /nfs/dbraw/zinc/88/15/14/992881514.db2.gz BOIKQSVPAVQLGW-SWLSCSKDSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@H](O)CN1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001381800262 992884897 /nfs/dbraw/zinc/88/48/97/992884897.db2.gz CHMNRUSWYYNTBH-TZMCWYRMSA-N 1 3 313.442 -0.228 20 0 DBADHO C[C@@H](NC(=O)CC[NH+](C)C)C1CN(C[C@H](O)Cn2cccn2)C1 ZINC001381805738 992886792 /nfs/dbraw/zinc/88/67/92/992886792.db2.gz PECFCGJKSBMCNT-HIFRSBDPSA-N 1 3 323.441 -0.368 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@H](C)[NH2+]CC(N)=O)C1 ZINC001381941486 992932401 /nfs/dbraw/zinc/93/24/01/992932401.db2.gz HVNDFHCWDJOPAX-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@H](CN(C)C(=O)c1cnn(CC[NH+](C)C)c1)N[C@H](C)C(N)=O ZINC001382133726 993001139 /nfs/dbraw/zinc/00/11/39/993001139.db2.gz PQDLWCNSNHWOLX-VXGBXAGGSA-N 1 3 324.429 -0.631 20 0 DBADHO CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC1CCOCC1)N(C)C ZINC001382267350 993107664 /nfs/dbraw/zinc/10/76/64/993107664.db2.gz HUWMDBHERMFRFT-KGLIPLIRSA-N 1 3 301.431 -0.180 20 0 DBADHO C[C@@H](NC[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1)C(N)=O ZINC001382435241 993248391 /nfs/dbraw/zinc/24/83/91/993248391.db2.gz BUMDHJPLWMAUKX-CHWSQXEVSA-N 1 3 314.430 -0.855 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001382436585 993252170 /nfs/dbraw/zinc/25/21/70/993252170.db2.gz AGGGQQPZFSZMKW-GXTWGEPZSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001382436585 993252183 /nfs/dbraw/zinc/25/21/83/993252183.db2.gz AGGGQQPZFSZMKW-GXTWGEPZSA-N 1 3 309.414 -0.719 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@]34CCC[C@H]3C[NH2+]C4)C2)nn1 ZINC001549902343 1015773306 /nfs/dbraw/zinc/77/33/06/1015773306.db2.gz ASTGQZKBWFUUAK-NJZAAPMLSA-N 1 3 304.398 -0.100 20 0 DBADHO N[C@H](Cc1ccccc1)C(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001550088951 1015788554 /nfs/dbraw/zinc/78/85/54/1015788554.db2.gz ZCWHVYWERIYJDL-HUUCEWRRSA-N 1 3 314.393 -0.001 20 0 DBADHO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3CN4CCC[C@H]4CO3)C[C@H]2[NH3+])c1 ZINC001550112882 1015792971 /nfs/dbraw/zinc/79/29/71/1015792971.db2.gz LRYIZLLZVFSTIH-JLNYLFASSA-N 1 3 319.409 -0.464 20 0 DBADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001550277744 1015801400 /nfs/dbraw/zinc/80/14/00/1015801400.db2.gz OJVAVPXGSWXRMT-OLMTUDMXSA-N 1 3 308.426 -0.023 20 0 DBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC001550275296 1015801905 /nfs/dbraw/zinc/80/19/05/1015801905.db2.gz CZSANEXBBVMDDE-XQQFMLRXSA-N 1 3 323.441 -0.282 20 0 DBADHO N[C@H](CC1CC1)C(=O)N[C@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550194713 1015799250 /nfs/dbraw/zinc/79/92/50/1015799250.db2.gz SZCIKOOSYUUJMV-VNHYZAJKSA-N 1 3 308.426 -0.123 20 0 DBADHO O=S(=O)(N[C@@H]1C[NH2+]CC[C@H]1c1ccccc1)N1CCNCC1 ZINC001550440070 1015806920 /nfs/dbraw/zinc/80/69/20/1015806920.db2.gz WMWSSZXYHHCQNK-LSDHHAIUSA-N 1 3 324.450 -0.128 20 0 DBADHO O=S(=O)(N[C@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCNCC1 ZINC001550440068 1015807203 /nfs/dbraw/zinc/80/72/03/1015807203.db2.gz WMWSSZXYHHCQNK-CABCVRRESA-N 1 3 324.450 -0.128 20 0 DBADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)NC[C@@H]3C[NH2+]CCCO3)C[C@H]21 ZINC001550732045 1015811311 /nfs/dbraw/zinc/81/13/11/1015811311.db2.gz DUANXRRNEOBTKR-ZOBORPQBSA-N 1 3 312.414 -0.929 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001550734707 1015812549 /nfs/dbraw/zinc/81/25/49/1015812549.db2.gz HDNPHVRBJYKPDM-MYMJJRTCSA-N 1 3 308.426 -0.021 20 0 DBADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCNC[C@@H](O)C1 ZINC001550753605 1015812721 /nfs/dbraw/zinc/81/27/21/1015812721.db2.gz FEROMFZJVJODDH-OLZOCXBDSA-N 1 3 312.414 -0.879 20 0 DBADHO O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCNC[C@H](O)C1 ZINC001550758902 1015813793 /nfs/dbraw/zinc/81/37/93/1015813793.db2.gz XCNWRLUXAJYJSU-GJZGRUSLSA-N 1 3 304.394 -0.323 20 0 DBADHO CC(C)CNC(=O)CN[C@@H]1CCC(=O)N[C@@H]1C1CC[NH2+]CC1 ZINC001550911578 1015815545 /nfs/dbraw/zinc/81/55/45/1015815545.db2.gz DUPCPQMNCWNPBM-CZUORRHYSA-N 1 3 310.442 -0.005 20 0 DBADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(S(=O)(=O)N3CCNCC3)C[C@H]2C1 ZINC001551392468 1015819406 /nfs/dbraw/zinc/81/94/06/1015819406.db2.gz QJUSSUBUQXVPOO-MGPQQGTHSA-N 1 3 316.471 -0.202 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)NC[C@H]2CCCN2C)nn1 ZINC001552168579 1015844476 /nfs/dbraw/zinc/84/44/76/1015844476.db2.gz CPSHZVDMSSMNJV-YRGRVCCFSA-N 1 3 322.413 -0.810 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC001552168531 1015844617 /nfs/dbraw/zinc/84/46/17/1015844617.db2.gz BQPYCGAIRYHWRV-JHJVBQTASA-N 1 3 320.397 -0.595 20 0 DBADHO C[C@H](CN[C@H]1CCNC1=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401238061 994491075 /nfs/dbraw/zinc/49/10/75/994491075.db2.gz XTKIDEJYIMUOQC-OLZOCXBDSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](N(C)C)[C@H](n3ccnn3)C2)C1 ZINC001552610655 1015865083 /nfs/dbraw/zinc/86/50/83/1015865083.db2.gz YCPMGCAQFOQQDM-BFHYXJOUSA-N 1 3 321.429 -0.131 20 0 DBADHO CC[N@H+]1CC[C@H](NC(=O)N2C[C@@H](N(C)C)[C@H](n3ccnn3)C2)C1 ZINC001552610655 1015865085 /nfs/dbraw/zinc/86/50/85/1015865085.db2.gz YCPMGCAQFOQQDM-BFHYXJOUSA-N 1 3 321.429 -0.131 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001401494455 994595380 /nfs/dbraw/zinc/59/53/80/994595380.db2.gz BJSCZXHOZZHXCK-CHWSQXEVSA-N 1 3 322.413 -0.978 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@H](O)CNCc1ccnn1C)[NH+](C)C ZINC001401542499 994629718 /nfs/dbraw/zinc/62/97/18/994629718.db2.gz HWRNYPWLRSVRNV-UONOGXRCSA-N 1 3 311.430 -0.427 20 0 DBADHO CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001401554811 994642221 /nfs/dbraw/zinc/64/22/21/994642221.db2.gz KZENKLLQNGBZEQ-KGLIPLIRSA-N 1 3 301.431 -0.180 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001401575401 994672553 /nfs/dbraw/zinc/67/25/53/994672553.db2.gz USZQOGHCMLWETQ-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001401590749 994685995 /nfs/dbraw/zinc/68/59/95/994685995.db2.gz WUXOPEWVZJSLRQ-JSGCOSHPSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001401590749 994686001 /nfs/dbraw/zinc/68/60/01/994686001.db2.gz WUXOPEWVZJSLRQ-JSGCOSHPSA-N 1 3 309.414 -0.671 20 0 DBADHO CCN1CC[C@H]([NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C)C1=O ZINC001401592705 994688252 /nfs/dbraw/zinc/68/82/52/994688252.db2.gz YKIWVXQIDWZRHJ-STQMWFEESA-N 1 3 314.430 -0.986 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001401610816 994697899 /nfs/dbraw/zinc/69/78/99/994697899.db2.gz SEPJJCSMJNOWMO-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001401610816 994697905 /nfs/dbraw/zinc/69/79/05/994697905.db2.gz SEPJJCSMJNOWMO-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO N[C@H]1C[C@@H]2CN(Cc3ccc(N4CC[NH2+]CC4)o3)CCN2C1=O ZINC001553309847 1015882252 /nfs/dbraw/zinc/88/22/52/1015882252.db2.gz JWNLFSSEPADAFI-OCCSQVGLSA-N 1 3 319.409 -0.567 20 0 DBADHO CN1CCN(C(=O)c2cnc([C@H]3CCCN3)nc2)[C@@H](C[NH3+])C1 ZINC001553361047 1015884956 /nfs/dbraw/zinc/88/49/56/1015884956.db2.gz YDEIGUGFTNYIRY-QWHCGFSZSA-N 1 3 304.398 -0.384 20 0 DBADHO C[C@@H](CN[C@@H](C)C(=O)NC1CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001401717649 994778959 /nfs/dbraw/zinc/77/89/59/994778959.db2.gz MOMZJXITQHYHLV-RYUDHWBXSA-N 1 3 308.426 -0.156 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1 ZINC001553423811 1015891471 /nfs/dbraw/zinc/89/14/71/1015891471.db2.gz OAEOXGQNEAXNSU-QPSCCSFWSA-N 1 3 309.410 -0.125 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@H](CN[C@H]2CCNC2=O)C2CC2)CC1 ZINC001401853872 994829533 /nfs/dbraw/zinc/82/95/33/994829533.db2.gz YFNVAKNZIOWIJM-QWHCGFSZSA-N 1 3 308.426 -0.299 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001401858442 994831565 /nfs/dbraw/zinc/83/15/65/994831565.db2.gz BPEWXUQSPNHYBT-NSHDSACASA-N 1 3 313.402 -0.994 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@H](NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001401876480 994837169 /nfs/dbraw/zinc/83/71/69/994837169.db2.gz RTQMMBOTRYWCCJ-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)NCC1([NH2+]C[C@H](C)O)CCOCC1)N(C)C ZINC001402247462 994999662 /nfs/dbraw/zinc/99/96/62/994999662.db2.gz QAUAQAZFYDOBSJ-QWHCGFSZSA-N 1 3 301.431 -0.038 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001402598030 995206424 /nfs/dbraw/zinc/20/64/24/995206424.db2.gz LRESFVUHQHXPFF-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO COC[C@H](O)CN1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001402751922 995270262 /nfs/dbraw/zinc/27/02/62/995270262.db2.gz UVHDONRYAHHYOY-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001402800784 995291011 /nfs/dbraw/zinc/29/10/11/995291011.db2.gz HBXFOTYCWKWJMQ-MEBFFEOJSA-N 1 3 308.426 -0.348 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001402800784 995291018 /nfs/dbraw/zinc/29/10/18/995291018.db2.gz HBXFOTYCWKWJMQ-MEBFFEOJSA-N 1 3 308.426 -0.348 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001402892577 995326402 /nfs/dbraw/zinc/32/64/02/995326402.db2.gz XDXNPRRYMSDNJA-TZMCWYRMSA-N 1 3 308.426 -0.345 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001402899528 995330522 /nfs/dbraw/zinc/33/05/22/995330522.db2.gz ZQDITIKJLAWNRV-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001402899528 995330530 /nfs/dbraw/zinc/33/05/30/995330530.db2.gz ZQDITIKJLAWNRV-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(=O)NC ZINC001403046254 995387476 /nfs/dbraw/zinc/38/74/76/995387476.db2.gz VSXHWXLFAXZPFC-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)[C@H](C)NCC(=O)NC(=O)NC ZINC001403046254 995387482 /nfs/dbraw/zinc/38/74/82/995387482.db2.gz VSXHWXLFAXZPFC-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001403074618 995396427 /nfs/dbraw/zinc/39/64/27/995396427.db2.gz YNUBLPATJPCWCT-UWVGGRQHSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001403089997 995403511 /nfs/dbraw/zinc/40/35/11/995403511.db2.gz WRSMPBUYVBPGKP-NWDGAFQWSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001403089997 995403514 /nfs/dbraw/zinc/40/35/14/995403514.db2.gz WRSMPBUYVBPGKP-NWDGAFQWSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@H]([NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)N(C)C ZINC001403254576 995469479 /nfs/dbraw/zinc/46/94/79/995469479.db2.gz HMIFUZPHYQTMCB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)C1CN(C[C@H](C)O)C1 ZINC001403328398 995487842 /nfs/dbraw/zinc/48/78/42/995487842.db2.gz OWHWFPQQBGAYRK-QWHCGFSZSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001403390074 995503703 /nfs/dbraw/zinc/50/37/03/995503703.db2.gz FFXOOTIEBBNGSW-FQUUOJAGSA-N 1 3 310.442 -0.114 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001403399823 995508928 /nfs/dbraw/zinc/50/89/28/995508928.db2.gz DHZGHNIRYHYJGM-APIJFGDWSA-N 1 3 322.453 -0.147 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21 ZINC001403399823 995508936 /nfs/dbraw/zinc/50/89/36/995508936.db2.gz DHZGHNIRYHYJGM-APIJFGDWSA-N 1 3 322.453 -0.147 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001403437808 995525394 /nfs/dbraw/zinc/52/53/94/995525394.db2.gz HVPXFERRDUOUJV-AAVRWANBSA-N 1 3 310.442 -0.053 20 0 DBADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)Cc1c[nH]cn1 ZINC001387914041 995537610 /nfs/dbraw/zinc/53/76/10/995537610.db2.gz RHVGDKATTYATKZ-UHFFFAOYSA-N 1 3 305.382 -0.377 20 0 DBADHO C[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC2)CN1C(=O)CN1CCCC1 ZINC001403780455 995702068 /nfs/dbraw/zinc/70/20/68/995702068.db2.gz RXJNVGITHFTMRM-OCCSQVGLSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCc2ccnn2C)CC[N@@H+]1C ZINC001403845053 995727785 /nfs/dbraw/zinc/72/77/85/995727785.db2.gz QUNMFHIXBNHWOL-BPLDGKMQSA-N 1 3 323.441 -0.331 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@H](O)CNCc2ccnn2C)CC[N@H+]1C ZINC001403845053 995727790 /nfs/dbraw/zinc/72/77/90/995727790.db2.gz QUNMFHIXBNHWOL-BPLDGKMQSA-N 1 3 323.441 -0.331 20 0 DBADHO CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001388689765 995734490 /nfs/dbraw/zinc/73/44/90/995734490.db2.gz XVIXPOUAJMTSRK-AXFHLTTASA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001403862119 995740011 /nfs/dbraw/zinc/74/00/11/995740011.db2.gz NXLLVJOHKAYORI-QWHCGFSZSA-N 1 3 303.447 -0.246 20 0 DBADHO CN(C[C@@H](O)CNCC(=O)NC(C)(C)C)C(=O)CC[NH+](C)C ZINC001403865789 995741849 /nfs/dbraw/zinc/74/18/49/995741849.db2.gz FSFQABUVVZEQEU-LBPRGKRZSA-N 1 3 316.446 -0.738 20 0 DBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001403864948 995742677 /nfs/dbraw/zinc/74/26/77/995742677.db2.gz UHCODGMGQADBKO-GFCCVEGCSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001388981717 995793294 /nfs/dbraw/zinc/79/32/94/995793294.db2.gz IBMORUPYJJCJRT-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CCN(C)C(=O)[C@@H]1CCCN1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001388981717 995793300 /nfs/dbraw/zinc/79/33/00/995793300.db2.gz IBMORUPYJJCJRT-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001404002895 995799728 /nfs/dbraw/zinc/79/97/28/995799728.db2.gz IPFVIDAGNSRKSP-WXRRBKDZSA-N 1 3 317.455 -0.296 20 0 DBADHO CCCN(C)CC(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001404024552 995804281 /nfs/dbraw/zinc/80/42/81/995804281.db2.gz UTOAQNAQCMUQNR-UHFFFAOYSA-N 1 3 313.402 -0.898 20 0 DBADHO Cn1nncc1CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001389682662 996069266 /nfs/dbraw/zinc/06/92/66/996069266.db2.gz DBWVEPSSBRJLIY-OCCSQVGLSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389682662 996069271 /nfs/dbraw/zinc/06/92/71/996069271.db2.gz DBWVEPSSBRJLIY-OCCSQVGLSA-N 1 3 306.414 -0.249 20 0 DBADHO O=C(C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)NCC1CC1 ZINC001389826551 996112166 /nfs/dbraw/zinc/11/21/66/996112166.db2.gz WJNGDZIHKRWWHP-AWEZNQCLSA-N 1 3 308.426 -0.201 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](C)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001390526582 996289973 /nfs/dbraw/zinc/28/99/73/996289973.db2.gz QVPKIIGURLWPTC-DGCLKSJQSA-N 1 3 320.397 -0.387 20 0 DBADHO CNC(=O)[C@H](C)N(C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001391349923 996521008 /nfs/dbraw/zinc/52/10/08/996521008.db2.gz CGNJWAJFYJUKNO-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001391373698 996527252 /nfs/dbraw/zinc/52/72/52/996527252.db2.gz JAYLVKGJLXBRHE-APIJFGDWSA-N 1 3 313.442 -0.086 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001391373698 996527255 /nfs/dbraw/zinc/52/72/55/996527255.db2.gz JAYLVKGJLXBRHE-APIJFGDWSA-N 1 3 313.442 -0.086 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001493695277 1016041598 /nfs/dbraw/zinc/04/15/98/1016041598.db2.gz OVRQKWHZZKMXET-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001493695277 1016041611 /nfs/dbraw/zinc/04/16/11/1016041611.db2.gz OVRQKWHZZKMXET-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001391512098 996560731 /nfs/dbraw/zinc/56/07/31/996560731.db2.gz CUPIIBXBSSSQIF-ZIAGYGMSSA-N 1 3 301.431 -0.372 20 0 DBADHO CCN(C(=O)CC[NH+](C)C)[C@@H]1CCN(C[C@@H](O)COC)C1 ZINC001391650594 996601650 /nfs/dbraw/zinc/60/16/50/996601650.db2.gz UKGPKYNWZTVEGZ-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001391855169 996643160 /nfs/dbraw/zinc/64/31/60/996643160.db2.gz OGNSLNVXLHPHBP-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001391861354 996644338 /nfs/dbraw/zinc/64/43/38/996644338.db2.gz LVUCVYWYSJPKGC-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCC(=O)NC2CC2)C1 ZINC001391861354 996644340 /nfs/dbraw/zinc/64/43/40/996644340.db2.gz LVUCVYWYSJPKGC-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001392077146 996719100 /nfs/dbraw/zinc/71/91/00/996719100.db2.gz WEXVSILBDIYHHZ-CHWSQXEVSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)N(C)C(=O)C1(N(C)C)CCC1 ZINC001392077151 996719468 /nfs/dbraw/zinc/71/94/68/996719468.db2.gz WEXVSILBDIYHHZ-OLZOCXBDSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[C@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C(C)C)N(C)C ZINC001392252790 996764590 /nfs/dbraw/zinc/76/45/90/996764590.db2.gz WAAVTWOAGKKHFA-WDEREUQCSA-N 1 3 315.418 -0.748 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404526915 996808740 /nfs/dbraw/zinc/80/87/40/996808740.db2.gz NKVKOYAKHPYCNQ-CYBMUJFWSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CC[NH2+]C[C@H]1CCS(=O)(=O)C1)C(=O)CN1CCCC1 ZINC001493793697 1016065399 /nfs/dbraw/zinc/06/53/99/1016065399.db2.gz KHWJWCVCBIMBHE-CYBMUJFWSA-N 1 3 317.455 -0.435 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001392376355 996847379 /nfs/dbraw/zinc/84/73/79/996847379.db2.gz OJGXALRYSTZNFS-LSDHHAIUSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001392376355 996847385 /nfs/dbraw/zinc/84/73/85/996847385.db2.gz OJGXALRYSTZNFS-LSDHHAIUSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001392376355 996847389 /nfs/dbraw/zinc/84/73/89/996847389.db2.gz OJGXALRYSTZNFS-LSDHHAIUSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001392376342 996847754 /nfs/dbraw/zinc/84/77/54/996847754.db2.gz OJGXALRYSTZNFS-GJZGRUSLSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001392376342 996847761 /nfs/dbraw/zinc/84/77/61/996847761.db2.gz OJGXALRYSTZNFS-GJZGRUSLSA-N 1 3 323.441 -0.140 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCc1cnn(C)c1 ZINC001392376342 996847764 /nfs/dbraw/zinc/84/77/64/996847764.db2.gz OJGXALRYSTZNFS-GJZGRUSLSA-N 1 3 323.441 -0.140 20 0 DBADHO C[C@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001392391510 996865035 /nfs/dbraw/zinc/86/50/35/996865035.db2.gz INIWSWYETTYAQO-RYUDHWBXSA-N 1 3 316.446 -0.692 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCc2ccccn2)CC1 ZINC001392396333 996871402 /nfs/dbraw/zinc/87/14/02/996871402.db2.gz SLFOLJOCHKXNLA-AWEZNQCLSA-N 1 3 306.410 -0.010 20 0 DBADHO O=C(NC[C@@H](O)CNCc1cccnc1)C12CC[NH+](CC1)C2 ZINC001392427834 996913223 /nfs/dbraw/zinc/91/32/23/996913223.db2.gz VRSJZKQCFVPNID-AWEZNQCLSA-N 1 3 304.394 -0.256 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C[C@@H](O)COC)C2)CC[N@@H+]1C ZINC001404999814 996942878 /nfs/dbraw/zinc/94/28/78/996942878.db2.gz DQBWCGZIUHEUIM-LJISPDSOSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@H]2CCN(C[C@@H](O)COC)C2)CC[N@H+]1C ZINC001404999814 996942890 /nfs/dbraw/zinc/94/28/90/996942890.db2.gz DQBWCGZIUHEUIM-LJISPDSOSA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001392461777 996945433 /nfs/dbraw/zinc/94/54/33/996945433.db2.gz RXWGWVJNSDIFOQ-MNOVXSKESA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001392576852 997048823 /nfs/dbraw/zinc/04/88/23/997048823.db2.gz ZKWORGPMIXAUDI-STQMWFEESA-N 1 3 308.426 -0.155 20 0 DBADHO CN(C)C(=O)CNC[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001392776046 997202153 /nfs/dbraw/zinc/20/21/53/997202153.db2.gz WZXUQQVOFBUZCT-HUUCEWRRSA-N 1 3 322.453 -0.099 20 0 DBADHO CNC(=O)[C@H](C)NC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001392802757 997221423 /nfs/dbraw/zinc/22/14/23/997221423.db2.gz RDBSMKCDYTWLAU-AAEUAGOBSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001393058650 997396442 /nfs/dbraw/zinc/39/64/42/997396442.db2.gz TYHCKHPSJIJLNW-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CNC(=O)CNC[C@@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001405821070 997435362 /nfs/dbraw/zinc/43/53/62/997435362.db2.gz YGRHPTXGXDJWKQ-GFCCVEGCSA-N 1 3 324.429 -0.759 20 0 DBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+]CC(=O)N(C)C ZINC001393398986 997635183 /nfs/dbraw/zinc/63/51/83/997635183.db2.gz UMRMWJCBSWHLBQ-NWDGAFQWSA-N 1 3 307.398 -0.276 20 0 DBADHO COC[C@H](C)[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001406259136 997635641 /nfs/dbraw/zinc/63/56/41/997635641.db2.gz SPQNDGOOXPRBOE-STQMWFEESA-N 1 3 301.431 -0.038 20 0 DBADHO Cc1nc([C@@H](C)NC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001406263842 997640990 /nfs/dbraw/zinc/64/09/90/997640990.db2.gz FNGNNPRSZJUVMV-ZYHUDNBSSA-N 1 3 324.429 -0.417 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001393408248 997641259 /nfs/dbraw/zinc/64/12/59/997641259.db2.gz JBADBMYBLKLNBQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001393408248 997641264 /nfs/dbraw/zinc/64/12/64/997641264.db2.gz JBADBMYBLKLNBQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](NCCN(CCO)C(=O)C1CC[NH+](C)CC1)C(N)=O ZINC001393460422 997678109 /nfs/dbraw/zinc/67/81/09/997678109.db2.gz JKKYOAHYMTWXDR-CYBMUJFWSA-N 1 3 314.430 -0.997 20 0 DBADHO CCN1CCCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H](C)C(N)=O ZINC001393488314 997691889 /nfs/dbraw/zinc/69/18/89/997691889.db2.gz ZTTVWHTYVVAWDA-STQMWFEESA-N 1 3 314.430 -0.855 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(CCO)CC[NH2+][C@H](C)C(N)=O ZINC001393488272 997692622 /nfs/dbraw/zinc/69/26/22/997692622.db2.gz ZTTVWHTYVVAWDA-CHWSQXEVSA-N 1 3 314.430 -0.855 20 0 DBADHO Cc1nc(CNC[C@@H](C)NC(=O)COC2CC[NH+](C)CC2)n[nH]1 ZINC001406414768 997754267 /nfs/dbraw/zinc/75/42/67/997754267.db2.gz UNHODCXVDFEIEJ-LLVKDONJSA-N 1 3 324.429 -0.182 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C[C@@H](O)COC ZINC001406427025 997757242 /nfs/dbraw/zinc/75/72/42/997757242.db2.gz BOWHMFPYYWHKEH-MGPQQGTHSA-N 1 3 301.431 -0.038 20 0 DBADHO CNC(=O)CNC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001393861627 997872369 /nfs/dbraw/zinc/87/23/69/997872369.db2.gz STEPICAPTAJMJP-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001407103398 998016797 /nfs/dbraw/zinc/01/67/97/998016797.db2.gz IZSJBPISXYXBCQ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001407103398 998016809 /nfs/dbraw/zinc/01/68/09/998016809.db2.gz IZSJBPISXYXBCQ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)N(C)C ZINC001394321398 998093350 /nfs/dbraw/zinc/09/33/50/998093350.db2.gz OKLWRKXVOVAKQA-APIJFGDWSA-N 1 3 320.441 -0.088 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)N(C)C ZINC001394321398 998093364 /nfs/dbraw/zinc/09/33/64/998093364.db2.gz OKLWRKXVOVAKQA-APIJFGDWSA-N 1 3 320.441 -0.088 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001394376560 998122198 /nfs/dbraw/zinc/12/21/98/998122198.db2.gz UFPHSSMUYRUYBZ-ZQDZILKHSA-N 1 3 313.442 -0.180 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001394376558 998122235 /nfs/dbraw/zinc/12/22/35/998122235.db2.gz UFPHSSMUYRUYBZ-TUVASFSCSA-N 1 3 313.442 -0.180 20 0 DBADHO CO[C@H](C)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001407367684 998139777 /nfs/dbraw/zinc/13/97/77/998139777.db2.gz JSFZRILLDQSTHW-UKRRQHHQSA-N 1 3 301.431 -0.086 20 0 DBADHO CO[C@H](C)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001407367684 998139799 /nfs/dbraw/zinc/13/97/99/998139799.db2.gz JSFZRILLDQSTHW-UKRRQHHQSA-N 1 3 301.431 -0.086 20 0 DBADHO CO[C@@H](C)CN1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001407669859 998321164 /nfs/dbraw/zinc/32/11/64/998321164.db2.gz WBZOUACWMLDDLU-ZFWWWQNUSA-N 1 3 301.431 -0.084 20 0 DBADHO Cc1nc([C@H](C)NC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001407847633 998400779 /nfs/dbraw/zinc/40/07/79/998400779.db2.gz IIJAFUKSPBVNJD-WCQYABFASA-N 1 3 324.429 -0.057 20 0 DBADHO CC[C@@H](C(=O)N1CCO[C@@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001407882244 998413710 /nfs/dbraw/zinc/41/37/10/998413710.db2.gz YQJVCAJVQWPIBX-RDBSUJKOSA-N 1 3 317.430 -0.849 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](O)CNCC(N)=O)CC1 ZINC001394751991 998447309 /nfs/dbraw/zinc/44/73/09/998447309.db2.gz AKFYKLNLSSZYTH-CYBMUJFWSA-N 1 3 314.430 -0.999 20 0 DBADHO C[C@H](NC[C@@H](O)CN(C)C(=O)CC1CC[NH+](C)CC1)C(N)=O ZINC001394752156 998448959 /nfs/dbraw/zinc/44/89/59/998448959.db2.gz BKXRAVRBHHNJGD-WCQYABFASA-N 1 3 314.430 -0.999 20 0 DBADHO NC(=O)CNCC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCOCC1 ZINC001408038048 998463945 /nfs/dbraw/zinc/46/39/45/998463945.db2.gz UZMFMHGYVTXHEM-CYBMUJFWSA-N 1 3 324.425 -0.932 20 0 DBADHO CNC(=O)CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)(C)C ZINC001394837900 998517464 /nfs/dbraw/zinc/51/74/64/998517464.db2.gz VHOGFUFLJCYENO-LBPRGKRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001394855372 998527602 /nfs/dbraw/zinc/52/76/02/998527602.db2.gz VLKHXHJRQOMDHK-VQXHTEKXSA-N 1 3 313.402 -0.900 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001395094084 998605279 /nfs/dbraw/zinc/60/52/79/998605279.db2.gz SSGZOBPJPYOTMI-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)N(C)C(=O)CN1CCCC1 ZINC001395094084 998605283 /nfs/dbraw/zinc/60/52/83/998605283.db2.gz SSGZOBPJPYOTMI-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1 ZINC001397351535 999019063 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CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001398558042 999298891 /nfs/dbraw/zinc/29/88/91/999298891.db2.gz BORTWYAGMJVWPP-CKYFFXLPSA-N 1 3 313.402 -0.996 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001398618029 999317073 /nfs/dbraw/zinc/31/70/73/999317073.db2.gz IVRMPUXFLLLBLZ-SCRDCRAPSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NCC1CC1 ZINC001398914608 999375558 /nfs/dbraw/zinc/37/55/58/999375558.db2.gz GFAFTHVJMRMVMS-WFASDCNBSA-N 1 3 322.453 -0.051 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC001399436366 999428609 /nfs/dbraw/zinc/42/86/09/999428609.db2.gz JIWXVXMWUSQMSL-CHWSQXEVSA-N 1 3 306.414 -0.092 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCC[N@@H+](C)C[C@H]1CCc2ncnn21 ZINC001399436366 999428611 /nfs/dbraw/zinc/42/86/11/999428611.db2.gz JIWXVXMWUSQMSL-CHWSQXEVSA-N 1 3 306.414 -0.092 20 0 DBADHO CN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001399659050 999459847 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CCCNC(=O)CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001420788956 1000242223 /nfs/dbraw/zinc/24/22/23/1000242223.db2.gz OXJHUUJOYSRNJG-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)CCO1)C(N)=O ZINC001421793712 1000626240 /nfs/dbraw/zinc/62/62/40/1000626240.db2.gz WTYQOPOJGYYGCW-DGCLKSJQSA-N 1 3 312.414 -0.839 20 0 DBADHO CC(C)N(C)CC(=O)NC1(C[NH2+]C[C@@H](C)O)CCOCC1 ZINC001422008147 1000697301 /nfs/dbraw/zinc/69/73/01/1000697301.db2.gz GNHIQBBXUDQEFR-CYBMUJFWSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001421995157 1000692831 /nfs/dbraw/zinc/69/28/31/1000692831.db2.gz UQZPQWRYAKNRQK-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(=O)N1CCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001421995157 1000692837 /nfs/dbraw/zinc/69/28/37/1000692837.db2.gz UQZPQWRYAKNRQK-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+](C)CCC(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001422011958 1000699291 /nfs/dbraw/zinc/69/92/91/1000699291.db2.gz XGFDWXKKNHPELD-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC1(CNCC(N)=O)CCOCC1 ZINC001422011958 1000699304 /nfs/dbraw/zinc/69/93/04/1000699304.db2.gz XGFDWXKKNHPELD-UHFFFAOYSA-N 1 3 300.403 -0.932 20 0 DBADHO C[C@H](NC[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001410325206 1000721068 /nfs/dbraw/zinc/72/10/68/1000721068.db2.gz PLOIIRYZTIURJQ-AAEUAGOBSA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@@H](NC[C@@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001410325214 1000721939 /nfs/dbraw/zinc/72/19/39/1000721939.db2.gz PLOIIRYZTIURJQ-YPMHNXCESA-N 1 3 308.426 -0.217 20 0 DBADHO COC(=O)Cn1cc(CCN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)nn1 ZINC001422141985 1000737244 /nfs/dbraw/zinc/73/72/44/1000737244.db2.gz GNUWMNOBAIHCGP-OLZOCXBDSA-N 1 3 307.398 -0.123 20 0 DBADHO COC(=O)Cn1cc(CCN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)nn1 ZINC001422141985 1000737249 /nfs/dbraw/zinc/73/72/49/1000737249.db2.gz GNUWMNOBAIHCGP-OLZOCXBDSA-N 1 3 307.398 -0.123 20 0 DBADHO CC[C@@H](C(=O)NC1(CO)CC[NH+](C[C@H](C)O)CC1)N(C)C ZINC001422188360 1000757725 /nfs/dbraw/zinc/75/77/25/1000757725.db2.gz LXZLAXUNEHRORT-STQMWFEESA-N 1 3 301.431 -0.350 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001410479955 1000782233 /nfs/dbraw/zinc/78/22/33/1000782233.db2.gz CXRXQPWYQKVZGZ-RYUDHWBXSA-N 1 3 324.429 -0.613 20 0 DBADHO C[C@@H](CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001410479955 1000782240 /nfs/dbraw/zinc/78/22/40/1000782240.db2.gz CXRXQPWYQKVZGZ-RYUDHWBXSA-N 1 3 324.429 -0.613 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001410479993 1000782384 /nfs/dbraw/zinc/78/23/84/1000782384.db2.gz CXRXQPWYQKVZGZ-VXGBXAGGSA-N 1 3 324.429 -0.613 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCc1nc(=O)n(C)[nH]1 ZINC001410479993 1000782391 /nfs/dbraw/zinc/78/23/91/1000782391.db2.gz CXRXQPWYQKVZGZ-VXGBXAGGSA-N 1 3 324.429 -0.613 20 0 DBADHO C[C@H]([NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001422316670 1000822260 /nfs/dbraw/zinc/82/22/60/1000822260.db2.gz RLIPYLGWTUXMIK-NWDGAFQWSA-N 1 3 314.430 -0.809 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001422321556 1000824198 /nfs/dbraw/zinc/82/41/98/1000824198.db2.gz AFCQHWCCKHRHKP-AWEZNQCLSA-N 1 3 321.425 -0.385 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CC[C@@H]2CCOC2)CCC1 ZINC001410639296 1000839604 /nfs/dbraw/zinc/83/96/04/1000839604.db2.gz AJKYDYXJZYWBKM-KGLIPLIRSA-N 1 3 313.442 -0.036 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CCc2ccnn2C)CCC1 ZINC001410647642 1000842573 /nfs/dbraw/zinc/84/25/73/1000842573.db2.gz DXUMMCPZKNDRJN-ZDUSSCGKSA-N 1 3 323.441 -0.486 20 0 DBADHO CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001422402736 1000860752 /nfs/dbraw/zinc/86/07/52/1000860752.db2.gz KIDGWVIQXDQUAM-QWHCGFSZSA-N 1 3 324.429 -0.875 20 0 DBADHO CCn1nnc(C)c1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001422402736 1000860758 /nfs/dbraw/zinc/86/07/58/1000860758.db2.gz KIDGWVIQXDQUAM-QWHCGFSZSA-N 1 3 324.429 -0.875 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001422459023 1000875587 /nfs/dbraw/zinc/87/55/87/1000875587.db2.gz MSRBLVZYXOOECE-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC001410780812 1000901009 /nfs/dbraw/zinc/90/10/09/1000901009.db2.gz JEABHLVUSIWHIP-OLZOCXBDSA-N 1 3 310.398 -0.246 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001410899731 1000952422 /nfs/dbraw/zinc/95/24/22/1000952422.db2.gz POCKYNYCPNUIBX-ZDUSSCGKSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001410899731 1000952433 /nfs/dbraw/zinc/95/24/33/1000952433.db2.gz POCKYNYCPNUIBX-ZDUSSCGKSA-N 1 3 310.442 -0.053 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001422848355 1001033814 /nfs/dbraw/zinc/03/38/14/1001033814.db2.gz FTEPUEVBUJACIX-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001423086390 1001113097 /nfs/dbraw/zinc/11/30/97/1001113097.db2.gz QFRIHPXEYDJBQB-JTQLQIEISA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001423216341 1001179907 /nfs/dbraw/zinc/17/99/07/1001179907.db2.gz HUYMQMHNUFJFDW-CHWSQXEVSA-N 1 3 301.431 -0.302 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)CN(C)C1CCC1 ZINC001423465167 1001322379 /nfs/dbraw/zinc/32/23/79/1001322379.db2.gz NYWYKUMAPHDYNO-WCQYABFASA-N 1 3 314.430 -0.986 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCCN(CCCO)C2)C1 ZINC001424027541 1001550413 /nfs/dbraw/zinc/55/04/13/1001550413.db2.gz UIAUYYKATKXWFD-HOCLYGCPSA-N 1 3 313.442 -0.346 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@@]2(CO)CCCN(CCCO)C2)C1 ZINC001424027541 1001550420 /nfs/dbraw/zinc/55/04/20/1001550420.db2.gz UIAUYYKATKXWFD-HOCLYGCPSA-N 1 3 313.442 -0.346 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001424234733 1001604710 /nfs/dbraw/zinc/60/47/10/1001604710.db2.gz DXZZZPYBNYQUFR-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CN[C@@H](C)C(N)=O)C1 ZINC001424234733 1001604711 /nfs/dbraw/zinc/60/47/11/1001604711.db2.gz DXZZZPYBNYQUFR-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001424240487 1001606484 /nfs/dbraw/zinc/60/64/84/1001606484.db2.gz RBLUFUMQTXHOJP-CHWSQXEVSA-N 1 3 324.425 -0.966 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NCC1CC1 ZINC001424479069 1001649306 /nfs/dbraw/zinc/64/93/06/1001649306.db2.gz IRBIRKRIQXSLON-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)CN(C)C2CCC2)CCO1 ZINC001425370646 1002023819 /nfs/dbraw/zinc/02/38/19/1002023819.db2.gz SEANTHUFZMSPRW-DGCLKSJQSA-N 1 3 312.414 -0.839 20 0 DBADHO CNC(=O)CN(C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001425438081 1002080113 /nfs/dbraw/zinc/08/01/13/1002080113.db2.gz RKGSPNADSBTTRC-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN(C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001425438081 1002080122 /nfs/dbraw/zinc/08/01/22/1002080122.db2.gz RKGSPNADSBTTRC-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001425492121 1002129425 /nfs/dbraw/zinc/12/94/25/1002129425.db2.gz IJZJHFVRVNRWCS-CYBMUJFWSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CNC[C@@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001425502489 1002137361 /nfs/dbraw/zinc/13/73/61/1002137361.db2.gz ZHTDZOOAXQPDPQ-GJZGRUSLSA-N 1 3 322.453 -0.099 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCc1nc(=O)n(C)[nH]1 ZINC001425565138 1002194595 /nfs/dbraw/zinc/19/45/95/1002194595.db2.gz CCPCUYUAWLXDFS-IJLUTSLNSA-N 1 3 324.429 -0.615 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCc1nc(=O)n(C)[nH]1 ZINC001425565138 1002194612 /nfs/dbraw/zinc/19/46/12/1002194612.db2.gz CCPCUYUAWLXDFS-IJLUTSLNSA-N 1 3 324.429 -0.615 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001425691523 1002290247 /nfs/dbraw/zinc/29/02/47/1002290247.db2.gz GNGFLTWWPGMSAC-CYBMUJFWSA-N 1 3 313.446 -0.212 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCCS(C)(=O)=O)C[C@H]1C ZINC001425917623 1002562722 /nfs/dbraw/zinc/56/27/22/1002562722.db2.gz OPJGRWXNZCIGQV-OLZOCXBDSA-N 1 3 319.471 -0.048 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCCS(C)(=O)=O)C[C@H]1C ZINC001425917623 1002562738 /nfs/dbraw/zinc/56/27/38/1002562738.db2.gz OPJGRWXNZCIGQV-OLZOCXBDSA-N 1 3 319.471 -0.048 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO)CCC1 ZINC001426061446 1002653824 /nfs/dbraw/zinc/65/38/24/1002653824.db2.gz AVMSANXERPHGBR-CYBMUJFWSA-N 1 3 301.431 -0.396 20 0 DBADHO CN(C)C1(C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)CCC1 ZINC001426061446 1002653827 /nfs/dbraw/zinc/65/38/27/1002653827.db2.gz AVMSANXERPHGBR-CYBMUJFWSA-N 1 3 301.431 -0.396 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N(C)C1CC([NH2+]CC(N)=O)C1 ZINC001426209270 1002720163 /nfs/dbraw/zinc/72/01/63/1002720163.db2.gz QZYWOOUASCXAOJ-MCIGGMRASA-N 1 3 302.394 -0.269 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001426209437 1002720739 /nfs/dbraw/zinc/72/07/39/1002720739.db2.gz SERHMHISFXGQGV-WXRRBKDZSA-N 1 3 316.421 -0.009 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436895609 1002822220 /nfs/dbraw/zinc/82/22/20/1002822220.db2.gz JTHJBMVPKPZLDS-ZDEQEGDKSA-N 1 3 314.405 -0.208 20 0 DBADHO COC[C@H](O)C[NH2+][C@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001437189089 1002878841 /nfs/dbraw/zinc/87/88/41/1002878841.db2.gz RBUCCHMFTXVIMT-CHWSQXEVSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCNC1=O ZINC001437206782 1002883627 /nfs/dbraw/zinc/88/36/27/1002883627.db2.gz MSLCATKDDBYSTL-CHWSQXEVSA-N 1 3 311.430 -0.552 20 0 DBADHO CCN1CC[C@@H](N2CC[C@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001437721917 1003168703 /nfs/dbraw/zinc/16/87/03/1003168703.db2.gz LPHDAALRIAERLB-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001438643426 1003555949 /nfs/dbraw/zinc/55/59/49/1003555949.db2.gz OSDWTFOPALVTHQ-DZGCQCFKSA-N 1 3 322.453 -0.003 20 0 DBADHO CNC(=O)NC(=O)CNC[C@H](C)N(C)C(=O)CCC[NH+](C)C ZINC001438678867 1003593487 /nfs/dbraw/zinc/59/34/87/1003593487.db2.gz ZKRNBJNLUDVGOW-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO C[C@H](C[NH2+]CCCS(C)(=O)=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001496028281 1016821602 /nfs/dbraw/zinc/82/16/02/1016821602.db2.gz NRYAKJPYMVFOBY-OLZOCXBDSA-N 1 3 319.471 -0.048 20 0 DBADHO CN(CC(=O)NC[C@H](O)C[NH2+]Cc1cncn1C)C1CCC1 ZINC001439003211 1003826769 /nfs/dbraw/zinc/82/67/69/1003826769.db2.gz LSVJXVTYADFEFX-CQSZACIVSA-N 1 3 309.414 -0.529 20 0 DBADHO CC(C)NC(=O)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001439004052 1003827586 /nfs/dbraw/zinc/82/75/86/1003827586.db2.gz MQRSTTPOXBNCIJ-LBPRGKRZSA-N 1 3 314.430 -0.938 20 0 DBADHO CC(C)NC(=O)C[NH2+]C[C@@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001439004048 1003827776 /nfs/dbraw/zinc/82/77/76/1003827776.db2.gz MQRSTTPOXBNCIJ-GFCCVEGCSA-N 1 3 314.430 -0.938 20 0 DBADHO C[NH+](C)CC1(C(=O)NC[C@@H](O)CNCc2cccnc2)CC1 ZINC001439015439 1003832906 /nfs/dbraw/zinc/83/29/06/1003832906.db2.gz OUUCJFGZTLHEAG-AWEZNQCLSA-N 1 3 306.410 -0.010 20 0 DBADHO Cc1nn(C)cc1C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@H](C)C1 ZINC001439016753 1003832960 /nfs/dbraw/zinc/83/29/60/1003832960.db2.gz DPJBEPRDVUOBDU-WFASDCNBSA-N 1 3 323.441 -0.363 20 0 DBADHO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CNC(=O)CN1CC[C@H](C)C1 ZINC001439016744 1003833276 /nfs/dbraw/zinc/83/32/76/1003833276.db2.gz DPJBEPRDVUOBDU-SWLSCSKDSA-N 1 3 323.441 -0.363 20 0 DBADHO Cn1cncc1CNC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439023805 1003838072 /nfs/dbraw/zinc/83/80/72/1003838072.db2.gz XKQZXUJREGOUQS-CQSZACIVSA-N 1 3 323.441 -0.139 20 0 DBADHO Cc1nc([C@@H](C)NC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)n[nH]1 ZINC001439048294 1003852828 /nfs/dbraw/zinc/85/28/28/1003852828.db2.gz OUONEMPGILMWTP-ZYHUDNBSSA-N 1 3 322.413 -0.663 20 0 DBADHO CC(C)c1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)n[nH]1 ZINC001439048401 1003852848 /nfs/dbraw/zinc/85/28/48/1003852848.db2.gz UDHXHDPPWGCVEB-VXGBXAGGSA-N 1 3 324.429 -0.554 20 0 DBADHO CC(C)c1nc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001439048401 1003852849 /nfs/dbraw/zinc/85/28/49/1003852849.db2.gz UDHXHDPPWGCVEB-VXGBXAGGSA-N 1 3 324.429 -0.554 20 0 DBADHO CCCNC(=O)CNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439241293 1003889881 /nfs/dbraw/zinc/88/98/81/1003889881.db2.gz PNRLWPDGYZQBTG-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNCC(=O)N1CCO[C@@H](C)C1)NC(=O)CC[NH+](C)C ZINC001439247296 1003890160 /nfs/dbraw/zinc/89/01/60/1003890160.db2.gz UUHLMISRJQAPID-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H](NC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1)C(N)=O ZINC001439464976 1004005874 /nfs/dbraw/zinc/00/58/74/1004005874.db2.gz DABWWOOVVGDKRG-YPMHNXCESA-N 1 3 308.426 -0.027 20 0 DBADHO CNC(=O)CNC[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001439473765 1004010007 /nfs/dbraw/zinc/01/00/07/1004010007.db2.gz RJFRYXMDQYWKOS-ZDUSSCGKSA-N 1 3 308.426 -0.155 20 0 DBADHO CN1CC[C@@H](NC[C@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)C1=O ZINC001439487965 1004015250 /nfs/dbraw/zinc/01/52/50/1004015250.db2.gz VUGNXTKWKMCTTF-KGLIPLIRSA-N 1 3 320.437 -0.203 20 0 DBADHO CN1CC[C@@H](NC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C2CC2)C1=O ZINC001439487971 1004015419 /nfs/dbraw/zinc/01/54/19/1004015419.db2.gz VUGNXTKWKMCTTF-ZIAGYGMSSA-N 1 3 320.437 -0.203 20 0 DBADHO CN(C)C(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001418010383 1004162666 /nfs/dbraw/zinc/16/26/66/1004162666.db2.gz PHHTZDAMXDETGH-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C(=O)CN[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418010383 1004162684 /nfs/dbraw/zinc/16/26/84/1004162684.db2.gz PHHTZDAMXDETGH-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1)C1CCC1 ZINC001418061166 1004188093 /nfs/dbraw/zinc/18/80/93/1004188093.db2.gz IVRMPUXFLLLBLZ-OBJOEFQTSA-N 1 3 308.426 -0.014 20 0 DBADHO CCCN(C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001496209714 1016866247 /nfs/dbraw/zinc/86/62/47/1016866247.db2.gz LHDAAKVLPVTIKY-GHMZBOCLSA-N 1 3 315.418 -0.652 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001418685147 1004568276 /nfs/dbraw/zinc/56/82/76/1004568276.db2.gz JCINPZULOVDEIO-AAVRWANBSA-N 1 3 310.442 -0.055 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+][C@H]3CCNC3=O)C2)C1 ZINC001418689086 1004571932 /nfs/dbraw/zinc/57/19/32/1004571932.db2.gz UTIAEYRCYFNRJV-SYQHCUMBSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCC[C@@H](N(CCO)CCO)C2)CC1 ZINC001418783519 1004643953 /nfs/dbraw/zinc/64/39/53/1004643953.db2.gz UGQUXHUFJOMEKT-CQSZACIVSA-N 1 3 313.442 -0.394 20 0 DBADHO CC(C)[C@H](C(=O)N(C)CCN[C@@H](C)C(=O)NC(N)=O)[NH+](C)C ZINC001418825555 1004679090 /nfs/dbraw/zinc/67/90/90/1004679090.db2.gz IMZMBFJFPSBTCV-WDEREUQCSA-N 1 3 315.418 -0.796 20 0 DBADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCN(C)C1=O ZINC001418937674 1004723514 /nfs/dbraw/zinc/72/35/14/1004723514.db2.gz JCTQHUWAWKGGLX-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CN(C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001418948580 1004727302 /nfs/dbraw/zinc/72/73/02/1004727302.db2.gz LGAOPNGGIHLZAS-UHFFFAOYSA-N 1 3 322.453 -0.001 20 0 DBADHO CC[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001419240984 1004840955 /nfs/dbraw/zinc/84/09/55/1004840955.db2.gz JLHXRSJXLVNAFG-WDEREUQCSA-N 1 3 313.402 -0.993 20 0 DBADHO CC[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NC(N)=O ZINC001419240973 1004840990 /nfs/dbraw/zinc/84/09/90/1004840990.db2.gz JLHXRSJXLVNAFG-MNOVXSKESA-N 1 3 313.402 -0.993 20 0 DBADHO CN(CC(=O)N[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001419412537 1004871273 /nfs/dbraw/zinc/87/12/73/1004871273.db2.gz IRLIMVYFVCXKEH-YRGRVCCFSA-N 1 3 308.426 -0.062 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2C[C@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC001419474707 1004883248 /nfs/dbraw/zinc/88/32/48/1004883248.db2.gz KAQCQKBZKBGYCZ-FRRDWIJNSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+]CCS(C)(=O)=O)C2)C1 ZINC001419492692 1004886945 /nfs/dbraw/zinc/88/69/45/1004886945.db2.gz PKFJBWXXICPILF-RWMBFGLXSA-N 1 3 317.455 -0.390 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1CCCCN1C(=O)Cc1c[nH]cn1 ZINC001419616868 1004917337 /nfs/dbraw/zinc/91/73/37/1004917337.db2.gz HNJDSBUPJNDGHX-ZIAGYGMSSA-N 1 3 310.398 -0.070 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419624356 1004921435 /nfs/dbraw/zinc/92/14/35/1004921435.db2.gz JCTVUACWIIUGMJ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001419624356 1004921445 /nfs/dbraw/zinc/92/14/45/1004921445.db2.gz JCTVUACWIIUGMJ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)[C@@H](C)CNCC(=O)NC(N)=O)[NH+](C)C ZINC001419670492 1004937044 /nfs/dbraw/zinc/93/70/44/1004937044.db2.gz DYRRGLPNZLZZBR-JQWIXIFHSA-N 1 3 315.418 -0.796 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)[C@H](C)CNCC(=O)NC(N)=O)[NH+](C)C ZINC001419670495 1004937270 /nfs/dbraw/zinc/93/72/70/1004937270.db2.gz DYRRGLPNZLZZBR-PWSUYJOCSA-N 1 3 315.418 -0.796 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001419914728 1005016665 /nfs/dbraw/zinc/01/66/65/1005016665.db2.gz TUWUIZSWCYMORQ-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO O=C(C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1)NCC1CC1 ZINC001419983741 1005039606 /nfs/dbraw/zinc/03/96/06/1005039606.db2.gz AJTKMBISVMPEAW-ZDUSSCGKSA-N 1 3 319.409 -0.084 20 0 DBADHO CN(C)C(=O)CN1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001420083279 1005073482 /nfs/dbraw/zinc/07/34/82/1005073482.db2.gz XLBGFHGRAIPRPY-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)N1CCCC1)N(C)C ZINC001420142453 1005118237 /nfs/dbraw/zinc/11/82/37/1005118237.db2.gz DWFPKMJCZXKQGB-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001420213729 1005157171 /nfs/dbraw/zinc/15/71/71/1005157171.db2.gz MNAJZLKETGZLLW-ZIAGYGMSSA-N 1 3 301.431 -0.038 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCN1C(C)C ZINC001420286203 1005186416 /nfs/dbraw/zinc/18/64/16/1005186416.db2.gz UFZVUIUEBSGLLJ-HZSPNIEDSA-N 1 3 301.431 -0.039 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1 ZINC001420518826 1005287143 /nfs/dbraw/zinc/28/71/43/1005287143.db2.gz SATDDZTWFRAYBG-ZDUSSCGKSA-N 1 3 314.430 -0.720 20 0 DBADHO C[NH+](C)CCC(=O)N1CCO[C@@H](CN[C@@H]2CCCNC2=O)C1 ZINC001440376566 1006082063 /nfs/dbraw/zinc/08/20/63/1006082063.db2.gz KYXZFEMTCSVXOF-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001440381354 1006085953 /nfs/dbraw/zinc/08/59/53/1006085953.db2.gz YLLGOQNXHVOCRA-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001440381354 1006085963 /nfs/dbraw/zinc/08/59/63/1006085963.db2.gz YLLGOQNXHVOCRA-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO C[C@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001440606475 1006227360 /nfs/dbraw/zinc/22/73/60/1006227360.db2.gz MCNDTMOGBRXVAW-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO CCNC(=O)C[NH2+]CC1CC(NC(=O)CN2CC[C@H](C)C2)C1 ZINC001440767132 1006295762 /nfs/dbraw/zinc/29/57/62/1006295762.db2.gz ZBZXANBYAXXOPF-HSBZDZAISA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NC(=O)COC1CC[NH+](C)CC1)[C@H](C)NCC(N)=O ZINC001440839622 1006324512 /nfs/dbraw/zinc/32/45/12/1006324512.db2.gz SXMLFSALBCIEMR-WDEREUQCSA-N 1 3 300.403 -0.935 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)NCC(N)=O)C1 ZINC001441327496 1006589096 /nfs/dbraw/zinc/58/90/96/1006589096.db2.gz HCGTZAZHYRHHQW-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@H](C)NCC(N)=O)C1 ZINC001441327496 1006589126 /nfs/dbraw/zinc/58/91/26/1006589126.db2.gz HCGTZAZHYRHHQW-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)N(C)C ZINC001441340833 1006595300 /nfs/dbraw/zinc/59/53/00/1006595300.db2.gz DNOOKEXVQZBMAE-SOUVJXGZSA-N 1 3 323.441 -0.225 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1)N(C)C ZINC001441340829 1006595908 /nfs/dbraw/zinc/59/59/08/1006595908.db2.gz DNOOKEXVQZBMAE-RRFJBIMHSA-N 1 3 323.441 -0.225 20 0 DBADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001430434934 1006852801 /nfs/dbraw/zinc/85/28/01/1006852801.db2.gz PHHSBDATKUACSR-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001430434934 1006852803 /nfs/dbraw/zinc/85/28/03/1006852803.db2.gz PHHSBDATKUACSR-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@H]1C[C@H](NCC(=O)NC(N)=O)CN1C(=O)CCC[NH+](C)C ZINC001441828590 1006890714 /nfs/dbraw/zinc/89/07/14/1006890714.db2.gz BLJCSDNRSKOTJW-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@H](N[C@@H](C)CNC(=O)C1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001441940241 1006979675 /nfs/dbraw/zinc/97/96/75/1006979675.db2.gz ONJOYYFVFHKLJP-VHSXEESVSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H](N[C@@H](C)CNC(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001441952605 1007000697 /nfs/dbraw/zinc/00/06/97/1007000697.db2.gz GJTVMWVGDPQEQA-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CC(=O)NC3CC3)C2)CCC1 ZINC001442088116 1007204460 /nfs/dbraw/zinc/20/44/60/1007204460.db2.gz OCPQNBWWDUDJCX-ZDUSSCGKSA-N 1 3 308.426 -0.060 20 0 DBADHO COC[C@H](O)CN1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001442802615 1007665215 /nfs/dbraw/zinc/66/52/15/1007665215.db2.gz RTMNTETWUIAPRQ-ZIAGYGMSSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CCN[C@H]1CCNC1=O)C(=O)COC1CC[NH+](C)CC1 ZINC001443100207 1007791052 /nfs/dbraw/zinc/79/10/52/1007791052.db2.gz SRXORNMVHCKRRR-ZDUSSCGKSA-N 1 3 312.414 -0.966 20 0 DBADHO CCNC(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001496864627 1017078989 /nfs/dbraw/zinc/07/89/89/1017078989.db2.gz URVVIZRDAJCVFB-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001444045639 1007995039 /nfs/dbraw/zinc/99/50/39/1007995039.db2.gz TVOCOGYILSLPBP-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001444045639 1007995046 /nfs/dbraw/zinc/99/50/46/1007995046.db2.gz TVOCOGYILSLPBP-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001444045658 1007995450 /nfs/dbraw/zinc/99/54/50/1007995450.db2.gz TVOCOGYILSLPBP-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001444045658 1007995458 /nfs/dbraw/zinc/99/54/58/1007995458.db2.gz TVOCOGYILSLPBP-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+]1CCC(C(=O)NC[C@H](O)CNCc2ccccn2)CC1 ZINC001445222090 1008309153 /nfs/dbraw/zinc/30/91/53/1008309153.db2.gz FHRJUCNOEVTACQ-OAHLLOKOSA-N 1 3 306.410 -0.010 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001445263657 1008325568 /nfs/dbraw/zinc/32/55/68/1008325568.db2.gz RRKBCJZXDCMDHU-AWEZNQCLSA-N 1 3 319.409 -0.552 20 0 DBADHO C[C@H](CNCC(=O)N1CCO[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001445428336 1008374823 /nfs/dbraw/zinc/37/48/23/1008374823.db2.gz UUHLMISRJQAPID-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)C1CC[NH+](C)CC1 ZINC001445431821 1008374956 /nfs/dbraw/zinc/37/49/56/1008374956.db2.gz BAFBQUNTQITKGZ-NXEZZACHSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H](CNCC(=O)NCc1ccco1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001445495541 1008383698 /nfs/dbraw/zinc/38/36/98/1008383698.db2.gz CYSJWKCVWSPWBG-OLZOCXBDSA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@H](CNCC(=O)NCc1ccco1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445495541 1008383701 /nfs/dbraw/zinc/38/37/01/1008383701.db2.gz CYSJWKCVWSPWBG-OLZOCXBDSA-N 1 3 322.409 -0.058 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001445631228 1008409006 /nfs/dbraw/zinc/40/90/06/1008409006.db2.gz INUVSZUZMWEOSD-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H](C)CNCC(=O)N1CCOCC1 ZINC001445631228 1008409007 /nfs/dbraw/zinc/40/90/07/1008409007.db2.gz INUVSZUZMWEOSD-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CN(CC(=O)NC[C@]1(O)CC[N@H+](CCO)C1)CC(C)(C)C ZINC001446787266 1008800808 /nfs/dbraw/zinc/80/08/08/1008800808.db2.gz QDXRKZIVZHCDKA-OAHLLOKOSA-N 1 3 301.431 -0.490 20 0 DBADHO CN(CC(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)CC(C)(C)C ZINC001446787266 1008800810 /nfs/dbraw/zinc/80/08/10/1008800810.db2.gz QDXRKZIVZHCDKA-OAHLLOKOSA-N 1 3 301.431 -0.490 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CN[C@H]3CCNC3=O)C2)CC1 ZINC001447282042 1009000423 /nfs/dbraw/zinc/00/04/23/1009000423.db2.gz QYMQJUAMLXKVAD-STQMWFEESA-N 1 3 324.425 -0.966 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCO[C@@H](CN[C@@H]3CCNC3=O)C2)CC1 ZINC001447282040 1009002330 /nfs/dbraw/zinc/00/23/30/1009002330.db2.gz QYMQJUAMLXKVAD-QWHCGFSZSA-N 1 3 324.425 -0.966 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)N(C)C)C1 ZINC001447313158 1009021009 /nfs/dbraw/zinc/02/10/09/1009021009.db2.gz SEEYFDWVUJZOAJ-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CNCC(=O)N(C)C)C1 ZINC001447313158 1009021025 /nfs/dbraw/zinc/02/10/25/1009021025.db2.gz SEEYFDWVUJZOAJ-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO C[NH+](C)CCNC(=O)C1CCN(CCNC(=O)C2CC2)CC1 ZINC001460193013 1009074983 /nfs/dbraw/zinc/07/49/83/1009074983.db2.gz HMEQLJMQKDVSFZ-UHFFFAOYSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CC(=O)NC1(C[NH2+]CC(N)=O)CCOCC1)C1CCC1 ZINC001447477565 1009102230 /nfs/dbraw/zinc/10/22/30/1009102230.db2.gz ZTZCBNZPJDDEMF-UHFFFAOYSA-N 1 3 312.414 -0.789 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2cccnc2)C1 ZINC001497091970 1017262403 /nfs/dbraw/zinc/26/24/03/1017262403.db2.gz MAACCYVWLZLHFM-ZFWWWQNUSA-N 1 3 306.410 -0.010 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@@H](O)CNCc2cccnc2)C1 ZINC001497091970 1017262420 /nfs/dbraw/zinc/26/24/20/1017262420.db2.gz MAACCYVWLZLHFM-ZFWWWQNUSA-N 1 3 306.410 -0.010 20 0 DBADHO C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001448464178 1009792349 /nfs/dbraw/zinc/79/23/49/1009792349.db2.gz VLQSRNGYLWIGBZ-YPMHNXCESA-N 1 3 312.414 -0.981 20 0 DBADHO CC(C)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)c1ccc(=O)[nH]n1 ZINC001448625839 1009829604 /nfs/dbraw/zinc/82/96/04/1009829604.db2.gz ACERPKRWLKDCAP-SNVBAGLBSA-N 1 3 309.370 -0.243 20 0 DBADHO CN(C(=O)CCNC(N)=O)[C@H](C[NH2+]Cc1cnn(C)c1)C1CC1 ZINC001448622574 1009829654 /nfs/dbraw/zinc/82/96/54/1009829654.db2.gz WUBDJQSQQKQBNR-CYBMUJFWSA-N 1 3 322.413 -0.195 20 0 DBADHO CC(=O)N[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001448626165 1009830133 /nfs/dbraw/zinc/83/01/33/1009830133.db2.gz ALIJSLPIQHYMQN-WDEREUQCSA-N 1 3 314.430 -0.138 20 0 DBADHO CN(C(=O)CCc1cncn1C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001448623684 1009830404 /nfs/dbraw/zinc/83/04/04/1009830404.db2.gz YZGNKTPJZWJVNP-CYBMUJFWSA-N 1 3 307.398 -0.335 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)c1cn[nH]c1 ZINC001448624309 1009830612 /nfs/dbraw/zinc/83/06/12/1009830612.db2.gz ATWJJYFTDSOPSM-RKDXNWHRSA-N 1 3 310.358 -0.696 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@H](C)CN(C)C(=O)CN(C)C(C)C ZINC001448777635 1009874315 /nfs/dbraw/zinc/87/43/15/1009874315.db2.gz PHACKLWZZHOWOX-LLVKDONJSA-N 1 3 315.418 -0.781 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCc2cnn(C)c2)C1 ZINC001448910367 1010050095 /nfs/dbraw/zinc/05/00/95/1010050095.db2.gz PXIMGHBAESSBNV-DZGCQCFKSA-N 1 3 323.441 -0.629 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001449174878 1010339810 /nfs/dbraw/zinc/33/98/10/1010339810.db2.gz FBKNLFJMWFSJPE-UKRRQHHQSA-N 1 3 323.441 -0.411 20 0 DBADHO Cc1nn(C)cc1CNC[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001449174878 1010339816 /nfs/dbraw/zinc/33/98/16/1010339816.db2.gz FBKNLFJMWFSJPE-UKRRQHHQSA-N 1 3 323.441 -0.411 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001479961164 1010481754 /nfs/dbraw/zinc/48/17/54/1010481754.db2.gz BRSFUNYWKTVYIF-HUUCEWRRSA-N 1 3 323.441 -0.224 20 0 DBADHO C[NH+]1CCC(C(=O)NC[C@@H](N[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001480043056 1010514055 /nfs/dbraw/zinc/51/40/55/1010514055.db2.gz IXLGQYAXPYNQMX-ZIAGYGMSSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@H](N[C@@H]3CCCNC3=O)C2)CC1 ZINC001480115926 1010541060 /nfs/dbraw/zinc/54/10/60/1010541060.db2.gz TWTIYKNFHFNOBY-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H](C[NH2+]CCOCCO)C1 ZINC001480297599 1010605685 /nfs/dbraw/zinc/60/56/85/1010605685.db2.gz KOUVYDOFILBMJS-ZDUSSCGKSA-N 1 3 310.398 -0.211 20 0 DBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001480572992 1010698877 /nfs/dbraw/zinc/69/88/77/1010698877.db2.gz YLWRUEIPZYIUQF-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001480572992 1010698882 /nfs/dbraw/zinc/69/88/82/1010698882.db2.gz YLWRUEIPZYIUQF-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNC(=O)CCCC[NH+](C)C)N[C@H]1CCC(=O)NC1=O ZINC001480573463 1010699043 /nfs/dbraw/zinc/69/90/43/1010699043.db2.gz MICMDTHPAXNLJM-NEPJUHHUSA-N 1 3 312.414 -0.382 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001450482590 1010740113 /nfs/dbraw/zinc/74/01/13/1010740113.db2.gz YVEWWQNLBYJKJM-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@](CNCC(N)=O)(NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001481932651 1011030056 /nfs/dbraw/zinc/03/00/56/1011030056.db2.gz ZDNVUCORPKGBJY-CJNGLKHVSA-N 1 3 308.426 -0.312 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001482173672 1011072501 /nfs/dbraw/zinc/07/25/01/1011072501.db2.gz PVFNPDSXBBYNFH-QWRGUYRKSA-N 1 3 315.418 -0.748 20 0 DBADHO C[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C(=O)CN1CCCC1 ZINC001482365252 1011131124 /nfs/dbraw/zinc/13/11/24/1011131124.db2.gz UCFNAUWWYIQQJX-VXGBXAGGSA-N 1 3 310.398 -0.676 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001452637203 1011329246 /nfs/dbraw/zinc/32/92/46/1011329246.db2.gz FCZRJHRLROJHCS-ZYHUDNBSSA-N 1 3 307.398 -0.167 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001452637203 1011329253 /nfs/dbraw/zinc/32/92/53/1011329253.db2.gz FCZRJHRLROJHCS-ZYHUDNBSSA-N 1 3 307.398 -0.167 20 0 DBADHO COCC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCCC1 ZINC001482729594 1011341509 /nfs/dbraw/zinc/34/15/09/1011341509.db2.gz OYQMLVUZDKZAEA-CYBMUJFWSA-N 1 3 301.431 -0.036 20 0 DBADHO CN(CC(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C)C1CCC1 ZINC001482737668 1011355869 /nfs/dbraw/zinc/35/58/69/1011355869.db2.gz REPHNRQGKZOCPG-AWEZNQCLSA-N 1 3 309.414 -0.529 20 0 DBADHO Cc1nc([C@H](C)NC[C@H](O)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001482763934 1011406798 /nfs/dbraw/zinc/40/67/98/1011406798.db2.gz GESYTFAYCXMIDB-GWCFXTLKSA-N 1 3 324.429 -0.417 20 0 DBADHO O=C(NC[C@H](O)CNCc1ccccn1)C12CC[NH+](CC1)C2 ZINC001482785267 1011452181 /nfs/dbraw/zinc/45/21/81/1011452181.db2.gz HHNDXBFMILIZRH-CQSZACIVSA-N 1 3 304.394 -0.256 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001482787636 1011461754 /nfs/dbraw/zinc/46/17/54/1011461754.db2.gz JAUYVVBHKDNVMZ-CYBMUJFWSA-N 1 3 320.397 -0.696 20 0 DBADHO COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001482790610 1011466436 /nfs/dbraw/zinc/46/64/36/1011466436.db2.gz FYUARHLKKABKLP-UONOGXRCSA-N 1 3 322.409 -0.391 20 0 DBADHO COc1ccc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001482790610 1011466446 /nfs/dbraw/zinc/46/64/46/1011466446.db2.gz FYUARHLKKABKLP-UONOGXRCSA-N 1 3 322.409 -0.391 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482792450 1011473200 /nfs/dbraw/zinc/47/32/00/1011473200.db2.gz ZCVVYLOPXNIIRM-OCCSQVGLSA-N 1 3 309.414 -0.753 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482792450 1011473217 /nfs/dbraw/zinc/47/32/17/1011473217.db2.gz ZCVVYLOPXNIIRM-OCCSQVGLSA-N 1 3 309.414 -0.753 20 0 DBADHO CC[C@H](NC/C=C/CNC(=O)[C@H]1C[NH+]2CCC1CC2)C(N)=O ZINC001483009742 1011596478 /nfs/dbraw/zinc/59/64/78/1011596478.db2.gz XBBHKTKPTGPSQP-NVFZZLLCSA-N 1 3 308.426 -0.146 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001453391626 1011656964 /nfs/dbraw/zinc/65/69/64/1011656964.db2.gz IYNFAIRKUKCNNY-LBPRGKRZSA-N 1 3 319.409 -0.023 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001453391626 1011656972 /nfs/dbraw/zinc/65/69/72/1011656972.db2.gz IYNFAIRKUKCNNY-LBPRGKRZSA-N 1 3 319.409 -0.023 20 0 DBADHO C[C@H](CNCC(N)=O)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483166199 1011748559 /nfs/dbraw/zinc/74/85/59/1011748559.db2.gz CITMFMGIMPIZAN-QMTHXVAHSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@H](CNCC(N)=O)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483166199 1011748584 /nfs/dbraw/zinc/74/85/84/1011748584.db2.gz CITMFMGIMPIZAN-QMTHXVAHSA-N 1 3 302.394 -0.222 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)NC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001483163132 1011749433 /nfs/dbraw/zinc/74/94/33/1011749433.db2.gz ZSKOKLFEMIPANH-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](O)COC ZINC001483197237 1011782123 /nfs/dbraw/zinc/78/21/23/1011782123.db2.gz BOWHMFPYYWHKEH-HZSPNIEDSA-N 1 3 301.431 -0.038 20 0 DBADHO CN(C(=O)C1(C[NH+](C)C)CC1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001453717878 1011803514 /nfs/dbraw/zinc/80/35/14/1011803514.db2.gz IOQVQMPZGXSVSW-UHFFFAOYSA-N 1 3 319.409 -0.037 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001483228596 1011804345 /nfs/dbraw/zinc/80/43/45/1011804345.db2.gz LFKLTGUEJZNVCY-SWLSCSKDSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H](CN(C)CCN1C(=O)CCC1=O)NC(=O)CC[NH+](C)C ZINC001483380769 1011860595 /nfs/dbraw/zinc/86/05/95/1011860595.db2.gz NODSBGQBRWOVFF-LBPRGKRZSA-N 1 3 312.414 -0.476 20 0 DBADHO CCCN(C)CC(=O)N(C)CCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001483504819 1011891628 /nfs/dbraw/zinc/89/16/28/1011891628.db2.gz GLOJPTOJIYJSFC-GFCCVEGCSA-N 1 3 312.414 -0.429 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001483602564 1011957411 /nfs/dbraw/zinc/95/74/11/1011957411.db2.gz QZIHEGWUODRSLN-CHWSQXEVSA-N 1 3 324.425 -0.382 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NCC2CC2)C2CC2)C1 ZINC001483605632 1011967762 /nfs/dbraw/zinc/96/77/62/1011967762.db2.gz PGZRRTKLYWORDL-HUUCEWRRSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H](CNCC(=O)NCC2CC2)C2CC2)C1 ZINC001483605632 1011967773 /nfs/dbraw/zinc/96/77/73/1011967773.db2.gz PGZRRTKLYWORDL-HUUCEWRRSA-N 1 3 322.453 -0.051 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001454511059 1012016509 /nfs/dbraw/zinc/01/65/09/1012016509.db2.gz CDGGDOXLRSKNHB-TTZDDIAXSA-N 1 3 322.453 -0.147 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001454511059 1012016517 /nfs/dbraw/zinc/01/65/17/1012016517.db2.gz CDGGDOXLRSKNHB-TTZDDIAXSA-N 1 3 322.453 -0.147 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NCC2(N[C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001483783768 1012136587 /nfs/dbraw/zinc/13/65/87/1012136587.db2.gz NYMVRKJIFOGJAH-VXGBXAGGSA-N 1 3 322.409 -0.628 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NCC2(N[C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001483783768 1012136605 /nfs/dbraw/zinc/13/66/05/1012136605.db2.gz NYMVRKJIFOGJAH-VXGBXAGGSA-N 1 3 322.409 -0.628 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NCC2(N[C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001483783763 1012139218 /nfs/dbraw/zinc/13/92/18/1012139218.db2.gz NYMVRKJIFOGJAH-NWDGAFQWSA-N 1 3 322.409 -0.628 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NCC2(N[C@@H]3CCC(=O)NC3=O)CC2)C1 ZINC001483783763 1012139230 /nfs/dbraw/zinc/13/92/30/1012139230.db2.gz NYMVRKJIFOGJAH-NWDGAFQWSA-N 1 3 322.409 -0.628 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCOCCO)C2)CC[N@@H+]1C ZINC001484045358 1012272957 /nfs/dbraw/zinc/27/29/57/1012272957.db2.gz QWAQBUFQEWEWLU-IIAWOOMASA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@]2(C)CCN(CCOCCO)C2)CC[N@H+]1C ZINC001484045358 1012272970 /nfs/dbraw/zinc/27/29/70/1012272970.db2.gz QWAQBUFQEWEWLU-IIAWOOMASA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H](C(=O)NCC1([NH2+]CCCO)CCOCC1)N(C)C ZINC001484190463 1012344567 /nfs/dbraw/zinc/34/45/67/1012344567.db2.gz QOJDMVSYWYHLLS-ZDUSSCGKSA-N 1 3 301.431 -0.036 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@H+](CCCO)C1 ZINC001484217032 1012402679 /nfs/dbraw/zinc/40/26/79/1012402679.db2.gz POMWJHDXOVXDHN-GDBMZVCRSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@]1(O)CC[N@@H+](CCCO)C1 ZINC001484217032 1012402686 /nfs/dbraw/zinc/40/26/86/1012402686.db2.gz POMWJHDXOVXDHN-GDBMZVCRSA-N 1 3 313.442 -0.205 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001456354790 1012668922 /nfs/dbraw/zinc/66/89/22/1012668922.db2.gz HXAVTJDFMWYFER-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001456354790 1012668934 /nfs/dbraw/zinc/66/89/34/1012668934.db2.gz HXAVTJDFMWYFER-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001456354789 1012669414 /nfs/dbraw/zinc/66/94/14/1012669414.db2.gz HXAVTJDFMWYFER-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001456354789 1012669423 /nfs/dbraw/zinc/66/94/23/1012669423.db2.gz HXAVTJDFMWYFER-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001484513124 1012753484 /nfs/dbraw/zinc/75/34/84/1012753484.db2.gz MASOZJOZRORWTR-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO Cn1cc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)cn1 ZINC001484688495 1012828823 /nfs/dbraw/zinc/82/88/23/1012828823.db2.gz WXCRARBKPKMEPY-CQSZACIVSA-N 1 3 309.414 -0.311 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001484839531 1012872780 /nfs/dbraw/zinc/87/27/80/1012872780.db2.gz LHKGEMWHOPIFKZ-ZBFHGGJFSA-N 1 3 313.442 -0.205 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC(O)(C[NH2+]CCCO)CC2)C1 ZINC001484960348 1012910515 /nfs/dbraw/zinc/91/05/15/1012910515.db2.gz BPKHPTYEWQRCSW-CQSZACIVSA-N 1 3 313.442 -0.346 20 0 DBADHO C[C@@H](O)CN1CCC(CO)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001485023233 1012957480 /nfs/dbraw/zinc/95/74/80/1012957480.db2.gz VWQHOQZAXRIKQO-CYBMUJFWSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2ccnn2C)CC[N@@H+]1C ZINC001496978596 1017159002 /nfs/dbraw/zinc/15/90/02/1017159002.db2.gz GSEWFQAEQFKNBG-KWCYVHTRSA-N 1 3 309.414 -0.673 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@@H](O)CNCc2ccnn2C)CC[N@H+]1C ZINC001496978596 1017159013 /nfs/dbraw/zinc/15/90/13/1017159013.db2.gz GSEWFQAEQFKNBG-KWCYVHTRSA-N 1 3 309.414 -0.673 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497383140 1017358798 /nfs/dbraw/zinc/35/87/98/1017358798.db2.gz GGHGYVNCRDADOB-HUUCEWRRSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCC[C@@H](NC/C=C/CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001497725238 1017480739 /nfs/dbraw/zinc/48/07/39/1017480739.db2.gz BDBRYRRFVRTSGD-BAABZTOOSA-N 1 3 320.437 -0.035 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001497969307 1017560862 /nfs/dbraw/zinc/56/08/62/1017560862.db2.gz PARIWDKRGOXFND-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001498234959 1017690587 /nfs/dbraw/zinc/69/05/87/1017690587.db2.gz RQTNZABYYIVSPW-ZDUSSCGKSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001498234959 1017690591 /nfs/dbraw/zinc/69/05/91/1017690591.db2.gz RQTNZABYYIVSPW-ZDUSSCGKSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001498266501 1017704921 /nfs/dbraw/zinc/70/49/21/1017704921.db2.gz IZYZWWAXFWYMRQ-UHFFFAOYSA-N 1 3 310.442 -0.005 20 0 DBADHO C[NH+](C)CC1(C(=O)NC2CN(C(=O)CN3CCCC3)C2)CC1 ZINC001498373534 1017760989 /nfs/dbraw/zinc/76/09/89/1017760989.db2.gz SYYRSORPLUUNGY-UHFFFAOYSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001501864676 1018888517 /nfs/dbraw/zinc/88/85/17/1018888517.db2.gz JXDXPJFRZNCDGR-SFAKSCPVSA-N 1 3 308.426 -0.178 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC/C=C\CNC(=O)CN2CCCC2)C1 ZINC001501864676 1018888518 /nfs/dbraw/zinc/88/85/18/1018888518.db2.gz JXDXPJFRZNCDGR-SFAKSCPVSA-N 1 3 308.426 -0.178 20 0 DBADHO CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001502075184 1018971286 /nfs/dbraw/zinc/97/12/86/1018971286.db2.gz XCBPHODTSDFSCL-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[C@H]([NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1)C(N)=O ZINC001502094467 1018989236 /nfs/dbraw/zinc/98/92/36/1018989236.db2.gz HSUBHRWYGCMNHU-OLZOCXBDSA-N 1 3 314.430 -0.593 20 0 DBADHO C[C@@H](O)C[NH2+]CC1(NC(=O)CN2CC[C@@H](C)C2)CCOCC1 ZINC001502635748 1019124601 /nfs/dbraw/zinc/12/46/01/1019124601.db2.gz XNGRRWMXJBFOEP-ZIAGYGMSSA-N 1 3 313.442 -0.036 20 0 DBADHO CNC(=O)C[NH2+][C@H]1CN(C(=O)CN2CCC(C)CC2)C[C@@H]1C ZINC001502748590 1019157937 /nfs/dbraw/zinc/15/79/37/1019157937.db2.gz WFAOVDXLGBBRKB-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CCN2C(=O)CC[NH+](C)C)C1 ZINC001505890797 1019572922 /nfs/dbraw/zinc/57/29/22/1019572922.db2.gz YDCHPJRDYOUCEP-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1[C@@H](N2CCCC2)CCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC001576573304 1019869342 /nfs/dbraw/zinc/86/93/42/1019869342.db2.gz QLNITVHTBSTLJM-OLZOCXBDSA-N 1 3 302.444 -0.305 20 0 DBADHO C[C@H]1C[NH+](CCCNC(=O)C2=NOC3(CNC3)C2)C[C@H](C)O1 ZINC001576806824 1019892332 /nfs/dbraw/zinc/89/23/32/1019892332.db2.gz JQCBBZSJOICKRV-RYUDHWBXSA-N 1 3 310.398 -0.280 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCCN(CCc3c[nH]nn3)CC2)C1 ZINC001576875779 1019916557 /nfs/dbraw/zinc/91/65/57/1019916557.db2.gz JUZBWHJWGTZIBS-ZDUSSCGKSA-N 1 3 306.414 -0.167 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCCN(CCc3c[nH]nn3)CC2)C1 ZINC001576875779 1019916579 /nfs/dbraw/zinc/91/65/79/1019916579.db2.gz JUZBWHJWGTZIBS-ZDUSSCGKSA-N 1 3 306.414 -0.167 20 0 DBADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001576878293 1019917821 /nfs/dbraw/zinc/91/78/21/1019917821.db2.gz ISBHQHVDWCPQAO-GFCCVEGCSA-N 1 3 310.402 -0.679 20 0 DBADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001576878293 1019917832 /nfs/dbraw/zinc/91/78/32/1019917832.db2.gz ISBHQHVDWCPQAO-GFCCVEGCSA-N 1 3 310.402 -0.679 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@H]4CCNC4=O)C[C@H]32)CCC1 ZINC001506796053 1019932514 /nfs/dbraw/zinc/93/25/14/1019932514.db2.gz UKZHCGJQUCJGNA-FQUUOJAGSA-N 1 3 320.437 -0.347 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@H]32)CCC1 ZINC001506796053 1019932528 /nfs/dbraw/zinc/93/25/28/1019932528.db2.gz UKZHCGJQUCJGNA-FQUUOJAGSA-N 1 3 320.437 -0.347 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCc2cn[nH]n2)C1 ZINC001576903690 1019938999 /nfs/dbraw/zinc/93/89/99/1019938999.db2.gz JSLLCRTYNWRLNJ-UXUKBGGZSA-N 1 3 306.414 -0.074 20 0 DBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1NCc1c[nH]nn1 ZINC001577153378 1020014438 /nfs/dbraw/zinc/01/44/38/1020014438.db2.gz VZQKXBHUXFRFIF-DGCLKSJQSA-N 1 3 304.398 -0.163 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@H](CN[C@@H]1CCN(C)C1=O)C1CC1 ZINC001507022086 1020046967 /nfs/dbraw/zinc/04/69/67/1020046967.db2.gz KVTCYWHZRRHVGG-ZIAGYGMSSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@H](O)Cn1cccn1 ZINC001507131034 1020097385 /nfs/dbraw/zinc/09/73/85/1020097385.db2.gz WLJZUEIRWMDRKO-OCCSQVGLSA-N 1 3 320.397 -0.354 20 0 DBADHO CCN1CCN(C[C@@H](C)CNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001577778059 1020118142 /nfs/dbraw/zinc/11/81/42/1020118142.db2.gz BSXFLZJFZZWBTC-ZDUSSCGKSA-N 1 3 323.445 -0.760 20 0 DBADHO O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@@H](NCc2c[nH]nn2)C1 ZINC001577758395 1020118692 /nfs/dbraw/zinc/11/86/92/1020118692.db2.gz LTTIZRPQSPQQSP-OCCSQVGLSA-N 1 3 304.398 -0.163 20 0 DBADHO CN(C)[C@H](CNC(=O)CN1CC[NH2+]C[C@H]1CO)c1ccccc1 ZINC001578406626 1020231576 /nfs/dbraw/zinc/23/15/76/1020231576.db2.gz YHHMMZBTQXENJK-JKSUJKDBSA-N 1 3 320.437 -0.328 20 0 DBADHO C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CNCCO2)CC1 ZINC001578411642 1020231666 /nfs/dbraw/zinc/23/16/66/1020231666.db2.gz WLPMWHVHOMKGHG-AWEZNQCLSA-N 1 3 313.446 -0.700 20 0 DBADHO CN(C)CCN1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1=O ZINC001578418394 1020234794 /nfs/dbraw/zinc/23/47/94/1020234794.db2.gz KRKDBUNOPYDMJC-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC2([C@H]3CC[NH2+]C3)CC2)CC1=O ZINC001578418992 1020235795 /nfs/dbraw/zinc/23/57/95/1020235795.db2.gz UMQKRUUVERHBND-STQMWFEESA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC3(C2)CC[NH2+]CC3)CC1=O ZINC001578418663 1020236038 /nfs/dbraw/zinc/23/60/38/1020236038.db2.gz NOCPELCVOOHKER-ZDUSSCGKSA-N 1 3 308.426 -0.392 20 0 DBADHO CN(CCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])CCOCCO ZINC001578473878 1020245735 /nfs/dbraw/zinc/24/57/35/1020245735.db2.gz SRRQFTADOMQJNN-UKRRQHHQSA-N 1 3 301.431 -0.049 20 0 DBADHO CN1CCN(CCCCNC(=O)NC[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC001578533817 1020262179 /nfs/dbraw/zinc/26/21/79/1020262179.db2.gz ZVEBQNXTMIMYMS-FICVDOATSA-N 1 3 309.458 -0.221 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)c3cn([C@H]4CCC[NH2+]C4)nn3)C[C@@H]21 ZINC001578541275 1020265164 /nfs/dbraw/zinc/26/51/64/1020265164.db2.gz ZFTDJWPMUDWBIH-DYEKYZERSA-N 1 3 304.398 -0.021 20 0 DBADHO CN[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)c1cnn(C)c1 ZINC001578568034 1020272570 /nfs/dbraw/zinc/27/25/70/1020272570.db2.gz FWEVAJHCULWSMR-CQSZACIVSA-N 1 3 310.446 -0.320 20 0 DBADHO CN[C@@H](C(=O)NCCC[N@@H+](C)CCN(C)C)c1cnn(C)c1 ZINC001578568034 1020272578 /nfs/dbraw/zinc/27/25/78/1020272578.db2.gz FWEVAJHCULWSMR-CQSZACIVSA-N 1 3 310.446 -0.320 20 0 DBADHO CN[C@@H](C(=O)NCCCN(C)CC[NH+](C)C)c1cnn(C)c1 ZINC001578568034 1020272585 /nfs/dbraw/zinc/27/25/85/1020272585.db2.gz FWEVAJHCULWSMR-CQSZACIVSA-N 1 3 310.446 -0.320 20 0 DBADHO COC(=O)[C@]1(N2CCN(CC[C@H]3CC[NH2+]C3)CC2)CCOC1 ZINC001578780985 1020296467 /nfs/dbraw/zinc/29/64/67/1020296467.db2.gz JPFZUPUBSOLYFL-ZBFHGGJFSA-N 1 3 311.426 -0.064 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@@H]21 ZINC001507362612 1020298847 /nfs/dbraw/zinc/29/88/47/1020298847.db2.gz HWUGYSHURJFHEV-FPMFFAJLSA-N 1 3 319.409 -0.085 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC001578808812 1020308297 /nfs/dbraw/zinc/30/82/97/1020308297.db2.gz LYDSQCBINFKPNI-CHWSQXEVSA-N 1 3 315.414 -0.116 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC001578808812 1020308306 /nfs/dbraw/zinc/30/83/06/1020308306.db2.gz LYDSQCBINFKPNI-CHWSQXEVSA-N 1 3 315.414 -0.116 20 0 DBADHO COC1(C(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)CC[NH2+]CC1 ZINC001578920439 1020328009 /nfs/dbraw/zinc/32/80/09/1020328009.db2.gz KHNUVUMKEANTAJ-KGLIPLIRSA-N 1 3 311.426 -0.187 20 0 DBADHO COC[C@@]1(C(=O)N2CCN(CC[NH+](C)C)CC2)CCCCN1 ZINC001578971967 1020340891 /nfs/dbraw/zinc/34/08/91/1020340891.db2.gz FMLNJHOSHATYKG-MRXNPFEDSA-N 1 3 312.458 -0.149 20 0 DBADHO COCCN1CC[C@H](NC(=O)CCNC(=O)[C@H]([NH3+])C(C)C)C1 ZINC001579039647 1020355549 /nfs/dbraw/zinc/35/55/49/1020355549.db2.gz XDNBXUCXZFMUQR-GXTWGEPZSA-N 1 3 314.430 -0.687 20 0 DBADHO COC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001507485159 1020378777 /nfs/dbraw/zinc/37/87/77/1020378777.db2.gz RLLBSPJKOJGLQJ-CHWSQXEVSA-N 1 3 301.431 -0.086 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC001579272267 1020400535 /nfs/dbraw/zinc/40/05/35/1020400535.db2.gz HGVGVDXVJKSSJI-GOEBONIOSA-N 1 3 307.394 -0.252 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)NC[C@]2(O)CC[N@@H+](C)C2)c1 ZINC001579272267 1020400540 /nfs/dbraw/zinc/40/05/40/1020400540.db2.gz HGVGVDXVJKSSJI-GOEBONIOSA-N 1 3 307.394 -0.252 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCN1C ZINC001508172147 1020535911 /nfs/dbraw/zinc/53/59/11/1020535911.db2.gz CRWTUCFPDGUFJD-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO Cn1ccn2c(CCNC[C@]3(C)CCC[NH2+]C3)nnc2c1=O ZINC001579977580 1020610747 /nfs/dbraw/zinc/61/07/47/1020610747.db2.gz SSDDKYIALQMIJE-OAHLLOKOSA-N 1 3 304.398 -0.050 20 0 DBADHO [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCN2C2CCOCC2)CCO1 ZINC001580268810 1020677363 /nfs/dbraw/zinc/67/73/63/1020677363.db2.gz OJEKKPXLTQBXQL-KBPBESRZSA-N 1 3 312.414 -0.391 20 0 DBADHO [NH3+][C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@H]1C(F)(F)F ZINC001580390641 1020706473 /nfs/dbraw/zinc/70/64/73/1020706473.db2.gz BMTPXEUCMMKTSJ-MXWKQRLJSA-N 1 3 306.332 -0.276 20 0 DBADHO O=C([C@@H]1CNCCC1(F)F)N1NC(=O)CC12CC[NH2+]CC2 ZINC001522840578 1021880915 /nfs/dbraw/zinc/88/09/15/1021880915.db2.gz JBRSCADZWRTITJ-VIFPVBQESA-N 1 3 302.325 -0.383 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001526265944 1022475262 /nfs/dbraw/zinc/47/52/62/1022475262.db2.gz MJNWNWOUYWYSKZ-JYAVWHMHSA-N 1 3 305.382 -0.523 20 0 DBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@H]1CCC(=O)NC1=O ZINC001567023760 1024472705 /nfs/dbraw/zinc/47/27/05/1024472705.db2.gz ZRGWMOONFOWDHW-QWRGUYRKSA-N 1 3 310.398 -0.630 20 0 DBADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567496278 1024740610 /nfs/dbraw/zinc/74/06/10/1024740610.db2.gz GLLWHYYNYNQSLB-HNNXBMFYSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)CC1CC[NH+](C)CC1 ZINC001567570650 1024794012 /nfs/dbraw/zinc/79/40/12/1024794012.db2.gz CILNADHVDNCWSB-ZDUSSCGKSA-N 1 3 324.425 -0.429 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@H](O)C[NH2+]CCO)N1CCCCC1 ZINC001568595271 1024962467 /nfs/dbraw/zinc/96/24/67/1024962467.db2.gz JLINGFYHHHDPOW-UONOGXRCSA-N 1 3 301.431 -0.444 20 0 DBADHO C[C@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001568640658 1024976509 /nfs/dbraw/zinc/97/65/09/1024976509.db2.gz ODJVCOQTJROYSR-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO CC[N@H+](C)CCC(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001568944665 1025093267 /nfs/dbraw/zinc/09/32/67/1025093267.db2.gz MRLIFURQUOCQEP-ZYOFXKKJSA-N 1 3 310.398 -0.605 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001568944665 1025093277 /nfs/dbraw/zinc/09/32/77/1025093277.db2.gz MRLIFURQUOCQEP-ZYOFXKKJSA-N 1 3 310.398 -0.605 20 0 DBADHO CC[N@H+](C)CCC(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001568944663 1025094718 /nfs/dbraw/zinc/09/47/18/1025094718.db2.gz MRLIFURQUOCQEP-QMAVJUDZSA-N 1 3 310.398 -0.605 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O ZINC001568944663 1025094726 /nfs/dbraw/zinc/09/47/26/1025094726.db2.gz MRLIFURQUOCQEP-QMAVJUDZSA-N 1 3 310.398 -0.605 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569058527 1025125753 /nfs/dbraw/zinc/12/57/53/1025125753.db2.gz IBRVVMNYMCJOPO-QJPTWQEYSA-N 1 3 305.444 -0.535 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569058527 1025125765 /nfs/dbraw/zinc/12/57/65/1025125765.db2.gz IBRVVMNYMCJOPO-QJPTWQEYSA-N 1 3 305.444 -0.535 20 0 DBADHO CN(CCC[NH2+][C@@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCN1C ZINC001569189151 1025164854 /nfs/dbraw/zinc/16/48/54/1025164854.db2.gz VAACSUZVZGLKSB-NEPJUHHUSA-N 1 3 310.398 -0.676 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@@H]1C[NH2+]CCN1CCNC1=O ZINC001569557214 1025275437 /nfs/dbraw/zinc/27/54/37/1025275437.db2.gz RPEKBWSWONGRTL-CYBMUJFWSA-N 1 3 320.397 -0.442 20 0 DBADHO Cn1cc(CNCCN(CCO)C(=O)C23CC[NH+](CC2)C3)cn1 ZINC001569953730 1025440929 /nfs/dbraw/zinc/44/09/29/1025440929.db2.gz UJJPVBNOUDYKTL-UHFFFAOYSA-N 1 3 321.425 -0.574 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CCC(O)(CNCC(N)=O)CC1 ZINC001570424925 1025611424 /nfs/dbraw/zinc/61/14/24/1025611424.db2.gz TWACQYILNGCQJM-UHFFFAOYSA-N 1 3 314.430 -0.853 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCOCCO)CC2(C)C)C1 ZINC001570909279 1025795658 /nfs/dbraw/zinc/79/56/58/1025795658.db2.gz GOTVFTVUECIGMF-UONOGXRCSA-N 1 3 313.442 -0.226 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CN(CCOCCO)CC2(C)C)C1 ZINC001570909279 1025795686 /nfs/dbraw/zinc/79/56/86/1025795686.db2.gz GOTVFTVUECIGMF-UONOGXRCSA-N 1 3 313.442 -0.226 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCOCCO)CC2(C)C)C1 ZINC001570909278 1025798206 /nfs/dbraw/zinc/79/82/06/1025798206.db2.gz GOTVFTVUECIGMF-KGLIPLIRSA-N 1 3 313.442 -0.226 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CN(CCOCCO)CC2(C)C)C1 ZINC001570909278 1025798230 /nfs/dbraw/zinc/79/82/30/1025798230.db2.gz GOTVFTVUECIGMF-KGLIPLIRSA-N 1 3 313.442 -0.226 20 0 DBADHO CC[C@H]([NH3+])CNC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC000418727004 529445289 /nfs/dbraw/zinc/44/52/89/529445289.db2.gz MBNKORQMBLPXDX-ZDUSSCGKSA-N 1 3 313.446 -0.081 20 0 DBADHO CCN(C)CCNC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000341162912 138105907 /nfs/dbraw/zinc/10/59/07/138105907.db2.gz LTWPIIOLEGQGPM-ZDUSSCGKSA-N 1 3 313.446 -0.175 20 0 DBADHO CCN(C)CCNC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000341162912 138105908 /nfs/dbraw/zinc/10/59/08/138105908.db2.gz LTWPIIOLEGQGPM-ZDUSSCGKSA-N 1 3 313.446 -0.175 20 0 DBADHO CC[NH+]1CCC(Nc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000341372375 138108344 /nfs/dbraw/zinc/10/83/44/138108344.db2.gz ZFXBEQRYJULUSW-UHFFFAOYSA-N 1 3 323.445 -0.742 20 0 DBADHO C[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)N1CCN(C)CC1 ZINC000356519166 138143266 /nfs/dbraw/zinc/14/32/66/138143266.db2.gz HEJZNFCZYSEJEC-OAHLLOKOSA-N 1 3 313.490 -0.378 20 0 DBADHO C[C@H](C(=O)NCCC[N@@H+](C)CCN(C)C)N1CCN(C)CC1 ZINC000356519166 138143267 /nfs/dbraw/zinc/14/32/67/138143267.db2.gz HEJZNFCZYSEJEC-OAHLLOKOSA-N 1 3 313.490 -0.378 20 0 DBADHO C[C@H](C(=O)NCCCN(C)CC[NH+](C)C)N1CCN(C)CC1 ZINC000356519166 138143268 /nfs/dbraw/zinc/14/32/68/138143268.db2.gz HEJZNFCZYSEJEC-OAHLLOKOSA-N 1 3 313.490 -0.378 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000303247419 283359340 /nfs/dbraw/zinc/35/93/40/283359340.db2.gz DRNIVWZDYVSMTQ-VXGBXAGGSA-N 1 3 314.430 -0.145 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000410785565 237111586 /nfs/dbraw/zinc/11/15/86/237111586.db2.gz UIZQFGWGTAKIJV-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000410785565 237111597 /nfs/dbraw/zinc/11/15/97/237111597.db2.gz UIZQFGWGTAKIJV-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418543495 237368253 /nfs/dbraw/zinc/36/82/53/237368253.db2.gz HZKCYYQUJFDMDN-OLZOCXBDSA-N 1 3 311.430 -0.328 20 0 DBADHO O=C(NC[C@H]1C[NH2+]C[C@H]1O)NC[C@@H]1NCCc2ccccc21 ZINC000418644510 237376881 /nfs/dbraw/zinc/37/68/81/237376881.db2.gz VJYMAAWYMOMCRQ-VHDGCEQUSA-N 1 3 304.394 -0.247 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cnn(C)c1 ZINC000130613556 283571104 /nfs/dbraw/zinc/57/11/04/283571104.db2.gz GDSMRFCAVCBINP-UHFFFAOYSA-N 1 3 310.402 -0.690 20 0 DBADHO CO[C@@H](C[NH3+])CC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000447434356 238330138 /nfs/dbraw/zinc/33/01/38/238330138.db2.gz FZCSOOFHACPQNS-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO OC[C@@H](NC/C=C/C[NH2+][C@@H](CO)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000447916243 238345623 /nfs/dbraw/zinc/34/56/23/238345623.db2.gz UUPGYAYESQDIPC-YZJWGLDOSA-N 1 3 314.426 -0.198 20 0 DBADHO OC[C@@H]([NH2+]C/C=C/CN[C@@H](CO)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000447916243 238345626 /nfs/dbraw/zinc/34/56/26/238345626.db2.gz UUPGYAYESQDIPC-YZJWGLDOSA-N 1 3 314.426 -0.198 20 0 DBADHO C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H](C)[NH3+] ZINC000418728703 296064527 /nfs/dbraw/zinc/06/45/27/296064527.db2.gz QNCGAFOTKQFHEE-YNEHKIRRSA-N 1 3 311.430 -0.330 20 0 DBADHO CC[N@H+](C)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000562441626 284010278 /nfs/dbraw/zinc/01/02/78/284010278.db2.gz BTRXRKTWGQZXRE-GJZGRUSLSA-N 1 3 312.458 -0.463 20 0 DBADHO CC[N@@H+](C)C[C@H](O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000562441626 284010282 /nfs/dbraw/zinc/01/02/82/284010282.db2.gz BTRXRKTWGQZXRE-GJZGRUSLSA-N 1 3 312.458 -0.463 20 0 DBADHO CCN1CCN(C(=O)[C@H](C)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000563214859 284029220 /nfs/dbraw/zinc/02/92/20/284029220.db2.gz GHYJUSCDEBGFPC-HOTGVXAUSA-N 1 3 323.485 -0.482 20 0 DBADHO CN(C)[C@@]1(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])CCSC1 ZINC000563588444 284043967 /nfs/dbraw/zinc/04/39/67/284043967.db2.gz MTFDDWFEKDTJLM-TZMCWYRMSA-N 1 3 315.487 -0.292 20 0 DBADHO CN(C)CCN(Cc1ccc(F)cc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000563649205 284046637 /nfs/dbraw/zinc/04/66/37/284046637.db2.gz VINRVNWBDQERSQ-UHFFFAOYSA-N 1 3 322.384 -0.196 20 0 DBADHO CN1CCN(c2ccncc2NC(=O)COC2C[NH2+]C2)CC1 ZINC000563888413 284051322 /nfs/dbraw/zinc/05/13/22/284051322.db2.gz JUOHGWCDPYLLHD-UHFFFAOYSA-N 1 3 305.382 -0.240 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000564384920 284059902 /nfs/dbraw/zinc/05/99/02/284059902.db2.gz CSPDUVHEWXFYAH-HZPDHXFCSA-N 1 3 324.469 -0.320 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000564384920 284059905 /nfs/dbraw/zinc/05/99/05/284059905.db2.gz CSPDUVHEWXFYAH-HZPDHXFCSA-N 1 3 324.469 -0.320 20 0 DBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H](N)C2CCOCC2)CC1 ZINC000564923462 284071880 /nfs/dbraw/zinc/07/18/80/284071880.db2.gz QCPZMEODWFSYIL-GJZGRUSLSA-N 1 3 313.442 -0.051 20 0 DBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@@H]1CCCN1C1CCOCC1 ZINC000564953799 284074303 /nfs/dbraw/zinc/07/43/03/284074303.db2.gz HBWUOFXYEOHCNO-CABCVRRESA-N 1 3 310.442 -0.350 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH3+])C3CCCCC3)CCN2C1=O ZINC000565250424 284091098 /nfs/dbraw/zinc/09/10/98/284091098.db2.gz NFXKTPCBBMOWHP-MJBXVCDLSA-N 1 3 323.441 -0.153 20 0 DBADHO CC[NH+](CC)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000565255863 284091480 /nfs/dbraw/zinc/09/14/80/284091480.db2.gz VTUHDGLZWJQDBV-AVGNSLFASA-N 1 3 311.430 -0.330 20 0 DBADHO O=C(NCCCN1CCc2ccccc2C1)C(=O)NC1C[NH2+]C1 ZINC000565294692 284092076 /nfs/dbraw/zinc/09/20/76/284092076.db2.gz RQMRDVZCWPUHLO-UHFFFAOYSA-N 1 3 316.405 -0.361 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)c3ccccc3CC[NH3+])CCN2C1=O ZINC000565237026 284090000 /nfs/dbraw/zinc/09/00/00/284090000.db2.gz AVHGCOCJWMWCOK-OCCSQVGLSA-N 1 3 302.378 -0.428 20 0 DBADHO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000565828087 284105013 /nfs/dbraw/zinc/10/50/13/284105013.db2.gz VXHOSXZTSFNCJZ-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CNCCO2)CC1 ZINC000565896909 284106981 /nfs/dbraw/zinc/10/69/81/284106981.db2.gz AIDWOEWWWYVXOI-ZDUSSCGKSA-N 1 3 300.403 -0.615 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@H]2[C@]1(N)C(=O)NCCN1CC[NH2+]CC1 ZINC000565891428 284107104 /nfs/dbraw/zinc/10/71/04/284107104.db2.gz ILNBSWHXBJPADQ-IOASZLSFSA-N 1 3 310.442 -0.460 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000643542809 374255239 /nfs/dbraw/zinc/25/52/39/374255239.db2.gz DMAMGLJNIDJEQZ-STQMWFEESA-N 1 3 314.430 -0.640 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000643545366 374262630 /nfs/dbraw/zinc/26/26/30/374262630.db2.gz GEBSTJGHPZBBJE-RDBSUJKOSA-N 1 3 324.425 -0.742 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC000607679285 374273320 /nfs/dbraw/zinc/27/33/20/374273320.db2.gz YZOSDBMRAAOVOB-LBPRGKRZSA-N 1 3 322.413 -0.549 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC000607679285 374273322 /nfs/dbraw/zinc/27/33/22/374273322.db2.gz YZOSDBMRAAOVOB-LBPRGKRZSA-N 1 3 322.413 -0.549 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000642698889 374292193 /nfs/dbraw/zinc/29/21/93/374292193.db2.gz ZICJXUIYWKNISJ-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000642698890 374293077 /nfs/dbraw/zinc/29/30/77/374293077.db2.gz ZICJXUIYWKNISJ-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CNC(=O)c1ccco1 ZINC000530880654 374451238 /nfs/dbraw/zinc/45/12/38/374451238.db2.gz KEQICZQGDQDVRC-UHFFFAOYSA-N 1 3 310.398 -0.039 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC(=O)N(C2CC2)C1 ZINC000530880943 374451797 /nfs/dbraw/zinc/45/17/97/374451797.db2.gz LLOPZXOUHUUMLR-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)CN1CSCC1=O ZINC000530880518 374451916 /nfs/dbraw/zinc/45/19/16/374451916.db2.gz LXOAXSXLEWNIRR-UHFFFAOYSA-N 1 3 302.444 -0.529 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000642732168 374466255 /nfs/dbraw/zinc/46/62/55/374466255.db2.gz PMBBOEIYGAKQBB-MCIONIFRSA-N 1 3 308.426 -0.488 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000584051721 374472268 /nfs/dbraw/zinc/47/22/68/374472268.db2.gz NLZFGHABFJRCAZ-CYBMUJFWSA-N 1 3 324.429 -0.190 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642744592 374476381 /nfs/dbraw/zinc/47/63/81/374476381.db2.gz TYMVMGORSBKYCI-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO [NH3+][C@@H]1CCC[C@@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000642786046 374573924 /nfs/dbraw/zinc/57/39/24/374573924.db2.gz ZCKRPPHVOBOLKQ-MGPQQGTHSA-N 1 3 308.426 -0.027 20 0 DBADHO [NH3+][C@@H]1CCC[C@H](NC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000642786044 374574536 /nfs/dbraw/zinc/57/45/36/374574536.db2.gz ZCKRPPHVOBOLKQ-HZSPNIEDSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000642785892 374574762 /nfs/dbraw/zinc/57/47/62/374574762.db2.gz PBJYOZMRYGTBQG-WMLDXEAASA-N 1 3 320.437 -0.201 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)CN2CCOCC2)CCCO1 ZINC000568990410 374626571 /nfs/dbraw/zinc/62/65/71/374626571.db2.gz CWRIDERFWQLBPB-HZPDHXFCSA-N 1 3 315.458 -0.230 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)CN2CCOCC2)CCCO1 ZINC000568990410 374626577 /nfs/dbraw/zinc/62/65/77/374626577.db2.gz CWRIDERFWQLBPB-HZPDHXFCSA-N 1 3 315.458 -0.230 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642892951 374881841 /nfs/dbraw/zinc/88/18/41/374881841.db2.gz FGRBPLKRBDHSLR-CYBMUJFWSA-N 1 3 317.393 -0.402 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000642922202 375025012 /nfs/dbraw/zinc/02/50/12/375025012.db2.gz UWNKEZRRRVNGJV-MCIONIFRSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)COC[C@@H]1CCOC1 ZINC000531118944 375069931 /nfs/dbraw/zinc/06/99/31/375069931.db2.gz JVYPPANGQQXSFX-CQSZACIVSA-N 1 3 301.431 -0.009 20 0 DBADHO COCCN(C)CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000261834305 375079623 /nfs/dbraw/zinc/07/96/23/375079623.db2.gz BVMXPUXYRAJDDR-UHFFFAOYSA-N 1 3 310.402 -0.489 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642929830 375043444 /nfs/dbraw/zinc/04/34/44/375043444.db2.gz PBZFGSQFOSYEEN-RDBSUJKOSA-N 1 3 308.426 -0.060 20 0 DBADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCCC[C@H](N)C3=O)[C@@H]2C1 ZINC000643794149 375056167 /nfs/dbraw/zinc/05/61/67/375056167.db2.gz GJEQOTBCHBTLLA-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCC[C@H](N)C3=O)[C@@H]2C1 ZINC000643794149 375056175 /nfs/dbraw/zinc/05/61/75/375056175.db2.gz GJEQOTBCHBTLLA-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000642946997 375186803 /nfs/dbraw/zinc/18/68/03/375186803.db2.gz DDWLTLORTLIIID-CYBMUJFWSA-N 1 3 315.462 -0.962 20 0 DBADHO CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3COCCN3)C2)CC1 ZINC000570512150 375367534 /nfs/dbraw/zinc/36/75/34/375367534.db2.gz CPJNINAOWNKOKO-JKSUJKDBSA-N 1 3 324.469 -0.008 20 0 DBADHO COCCNCCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000642991144 375473479 /nfs/dbraw/zinc/47/34/79/375473479.db2.gz DGHCUPNYXZWYGM-ZDUSSCGKSA-N 1 3 314.430 -0.672 20 0 DBADHO CC(C)([NH3+])CNC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000642966254 375469091 /nfs/dbraw/zinc/46/90/91/375469091.db2.gz FJOKRSDFSQFPEC-UHFFFAOYSA-N 1 3 305.382 -0.416 20 0 DBADHO CCO[C@@H]1C[C@@](N)(C(=O)NCCCN2CC[NH2+]CC2)C1(C)C ZINC000187167413 375432879 /nfs/dbraw/zinc/43/28/79/375432879.db2.gz JBGQNDLGMIBVIJ-CZUORRHYSA-N 1 3 312.458 -0.070 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000643005773 375475612 /nfs/dbraw/zinc/47/56/12/375475612.db2.gz FQHDTRDIMKOKDV-HZSPNIEDSA-N 1 3 324.425 -0.824 20 0 DBADHO O=S(=O)(C[C@@H]1CNCCO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000313902788 375487760 /nfs/dbraw/zinc/48/77/60/375487760.db2.gz HAXMXNSSJUOSQQ-KGLIPLIRSA-N 1 3 317.455 -0.135 20 0 DBADHO NC(=O)NC(=O)CCNCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000591759845 375744403 /nfs/dbraw/zinc/74/44/03/375744403.db2.gz ZKDVUDUEDMEMCY-CQSZACIVSA-N 1 3 320.393 -0.072 20 0 DBADHO NC(=O)NC(=O)CCNCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000591759845 375744408 /nfs/dbraw/zinc/74/44/08/375744408.db2.gz ZKDVUDUEDMEMCY-CQSZACIVSA-N 1 3 320.393 -0.072 20 0 DBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000592219565 375788296 /nfs/dbraw/zinc/78/82/96/375788296.db2.gz OEYQQUOWBQTQGW-HRCADAONSA-N 1 3 324.469 -0.010 20 0 DBADHO CC(C)N1CCN([C@H]2CCN(C(=O)COC3(C)C[NH2+]C3)C2)CC1 ZINC000592965346 375841885 /nfs/dbraw/zinc/84/18/85/375841885.db2.gz XPAYWPFIJDTLOY-HNNXBMFYSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000531297137 375911383 /nfs/dbraw/zinc/91/13/83/375911383.db2.gz UPMVVWGMUNFCDK-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@@H]1CC[N@@H+](CCNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000531297137 375911392 /nfs/dbraw/zinc/91/13/92/375911392.db2.gz UPMVVWGMUNFCDK-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCN2C1=O ZINC000594879644 375965385 /nfs/dbraw/zinc/96/53/85/375965385.db2.gz DRWFFYYWLIBTMK-RQJABVFESA-N 1 3 306.410 -0.608 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000595262028 375983058 /nfs/dbraw/zinc/98/30/58/375983058.db2.gz GQSBKDMAZHQAOF-YUTCNCBUSA-N 1 3 323.441 -0.330 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)CCN2C1=O ZINC000595263917 375984612 /nfs/dbraw/zinc/98/46/12/375984612.db2.gz WZFIGLGDYXBPGP-MELADBBJSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@H]3CC[N@@H+](CC4CC4)C3)CCN2C1=O ZINC000595263917 375984622 /nfs/dbraw/zinc/98/46/22/375984622.db2.gz WZFIGLGDYXBPGP-MELADBBJSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)c3cccc4c3CC[NH2+]C4)CCN2C1=O ZINC000595969471 376053912 /nfs/dbraw/zinc/05/39/12/376053912.db2.gz FSKLRNIFITWUDI-DOMZBBRYSA-N 1 3 314.389 -0.284 20 0 DBADHO CN(C)[C@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C1CC1 ZINC000602477226 376448559 /nfs/dbraw/zinc/44/85/59/376448559.db2.gz ZIZNIWCGOXXDFA-ODXCJYRJSA-N 1 3 301.456 -0.057 20 0 DBADHO COCC[N@H+]1CCC[C@@H]1CNC(=O)NCCN1CC[C@@H](O)C1 ZINC000636761814 376483870 /nfs/dbraw/zinc/48/38/70/376483870.db2.gz LZPDHGOIWSALGU-ZIAGYGMSSA-N 1 3 314.430 -0.537 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637297200 376780355 /nfs/dbraw/zinc/78/03/55/376780355.db2.gz GDEPCZJXJWNNLZ-CQSZACIVSA-N 1 3 323.441 -0.314 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637329720 376786424 /nfs/dbraw/zinc/78/64/24/376786424.db2.gz OANZZZNHJVCVRB-UHFFFAOYSA-N 1 3 323.441 -0.312 20 0 DBADHO CN(C[C@H](O)C[N@H+](C)C1CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000336850688 376800041 /nfs/dbraw/zinc/80/00/41/376800041.db2.gz YJKAQXFFLMKIML-CQSZACIVSA-N 1 3 319.471 -0.203 20 0 DBADHO CN(C[C@H](O)C[N@@H+](C)C1CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000336850688 376800049 /nfs/dbraw/zinc/80/00/49/376800049.db2.gz YJKAQXFFLMKIML-CQSZACIVSA-N 1 3 319.471 -0.203 20 0 DBADHO CCN1CCO[C@@H](C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000365694657 376813441 /nfs/dbraw/zinc/81/34/41/376813441.db2.gz DQZSLSUAWCRWLR-GDBMZVCRSA-N 1 3 324.469 -0.008 20 0 DBADHO CCN1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000365694657 376813446 /nfs/dbraw/zinc/81/34/46/376813446.db2.gz DQZSLSUAWCRWLR-GDBMZVCRSA-N 1 3 324.469 -0.008 20 0 DBADHO CCN1CCO[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000365694657 376813452 /nfs/dbraw/zinc/81/34/52/376813452.db2.gz DQZSLSUAWCRWLR-GDBMZVCRSA-N 1 3 324.469 -0.008 20 0 DBADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@H]1CN2CCN1CCC2 ZINC000534273445 377090801 /nfs/dbraw/zinc/09/08/01/377090801.db2.gz RYDURTAAMOUKHD-HZPDHXFCSA-N 1 3 324.469 -0.055 20 0 DBADHO CN(CCNC(=O)C(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000339964220 377165990 /nfs/dbraw/zinc/16/59/90/377165990.db2.gz XTQAHKVBSOPLNA-UHFFFAOYSA-N 1 3 308.426 -0.060 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000263230909 377181861 /nfs/dbraw/zinc/18/18/61/377181861.db2.gz HZWGIPARKRKPFA-GXTWGEPZSA-N 1 3 316.471 -0.361 20 0 DBADHO CN(C)CCOc1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262421590 377277364 /nfs/dbraw/zinc/27/73/64/377277364.db2.gz QOIHKXDXTUPFJG-UKRRQHHQSA-N 1 3 307.394 -0.034 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C[NH2+]1 ZINC000627481434 377278965 /nfs/dbraw/zinc/27/89/65/377278965.db2.gz CRKKVOJBHMYHPQ-MGPQQGTHSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)C1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)Cc2ccccc2C1 ZINC000269261307 377390463 /nfs/dbraw/zinc/39/04/63/377390463.db2.gz MKCIRZAXBOCOCP-GJZGRUSLSA-N 1 3 303.406 -0.075 20 0 DBADHO CCC1(N2CCOCC2)CCN(C(=O)C(=O)NC2C[NH2+]C2)CC1 ZINC000627407063 377505457 /nfs/dbraw/zinc/50/54/57/377505457.db2.gz CPACGXRGCGMOHH-UHFFFAOYSA-N 1 3 324.425 -0.822 20 0 DBADHO OCCN(CCO)Cc1ccccc1C[NH+](CCO)CCO ZINC000270696569 377462503 /nfs/dbraw/zinc/46/25/03/377462503.db2.gz DLPRYMRGUDCHPF-UHFFFAOYSA-N 1 3 312.410 -0.740 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000637798147 377564083 /nfs/dbraw/zinc/56/40/83/377564083.db2.gz LPYSERIEEYCYPT-INIZCTEOSA-N 1 3 320.437 -0.024 20 0 DBADHO CN(C)CC[NH+]1CCC(CNC(=O)c2cnc(CN)nc2)CC1 ZINC000638080649 377802703 /nfs/dbraw/zinc/80/27/03/377802703.db2.gz WOSLZIFIPBNYAC-UHFFFAOYSA-N 1 3 320.441 -0.061 20 0 DBADHO C[NH+](C)CCN1CCC(CNC(=O)c2cnc(CN)nc2)CC1 ZINC000638080649 377802714 /nfs/dbraw/zinc/80/27/14/377802714.db2.gz WOSLZIFIPBNYAC-UHFFFAOYSA-N 1 3 320.441 -0.061 20 0 DBADHO C[C@H]1CN(CCCCNC(=O)CN2CC[NH2+]CC2)C[C@H](C)O1 ZINC000638076081 377796238 /nfs/dbraw/zinc/79/62/38/377796238.db2.gz IOWDVYXMEJWFPZ-GJZGRUSLSA-N 1 3 312.458 -0.103 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000638268637 377866649 /nfs/dbraw/zinc/86/66/49/377866649.db2.gz ZZRRUPSORYBHSK-HOTGVXAUSA-N 1 3 320.437 -0.060 20 0 DBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638275969 377869226 /nfs/dbraw/zinc/86/92/26/377869226.db2.gz COSSKKSDQNJPAJ-QLFBSQMISA-N 1 3 310.442 -0.269 20 0 DBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2OCC[C@@H]2N)CC1 ZINC000638275969 377869230 /nfs/dbraw/zinc/86/92/30/377869230.db2.gz COSSKKSDQNJPAJ-QLFBSQMISA-N 1 3 310.442 -0.269 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CCC2C[NH2+]C2)cn1 ZINC000638124923 377848871 /nfs/dbraw/zinc/84/88/71/377848871.db2.gz VRAMAGJKLMAFPD-UHFFFAOYSA-N 1 3 322.413 -0.501 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638137868 377850020 /nfs/dbraw/zinc/85/00/20/377850020.db2.gz PMGLVLQBEXBBOL-ZBFHGGJFSA-N 1 3 312.458 -0.116 20 0 DBADHO CCN1CCN(CCNC(=O)[C@@]2(COC)CCCC[NH2+]2)CC1 ZINC000638137861 377850902 /nfs/dbraw/zinc/85/09/02/377850902.db2.gz PLNBXWWDAMRNNL-INIZCTEOSA-N 1 3 312.458 -0.101 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638136713 377851017 /nfs/dbraw/zinc/85/10/17/377851017.db2.gz ADDCGADAJSHGFG-GDBMZVCRSA-N 1 3 312.458 -0.103 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638136927 377851491 /nfs/dbraw/zinc/85/14/91/377851491.db2.gz PGHGGKLKRCWNIC-IJEWVQPXSA-N 1 3 312.458 -0.104 20 0 DBADHO COC[C@]1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)CCCCN1 ZINC000638227009 377860946 /nfs/dbraw/zinc/86/09/46/377860946.db2.gz LSRXJZMJKGWYKB-HOCLYGCPSA-N 1 3 310.442 -0.349 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)[C@H]1CC(=O)N(CCN(C)C)C1 ZINC000638593012 378013850 /nfs/dbraw/zinc/01/38/50/378013850.db2.gz YPKSKUKENCBWTR-ZDUSSCGKSA-N 1 3 314.430 -0.909 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340478234 377997628 /nfs/dbraw/zinc/99/76/28/377997628.db2.gz BHFJYWIMTULEOF-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCNC(=O)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000340478234 377997633 /nfs/dbraw/zinc/99/76/33/377997633.db2.gz BHFJYWIMTULEOF-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CN1C1CC1 ZINC000343305620 378332079 /nfs/dbraw/zinc/33/20/79/378332079.db2.gz SAXRFVFGFQYUBC-RYUDHWBXSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@H]1C[C@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000343305620 378332084 /nfs/dbraw/zinc/33/20/84/378332084.db2.gz SAXRFVFGFQYUBC-RYUDHWBXSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCCNC1=O ZINC000617504194 378368267 /nfs/dbraw/zinc/36/82/67/378368267.db2.gz KIDBXCUYXKWVBG-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCCNC1=O ZINC000617504194 378368270 /nfs/dbraw/zinc/36/82/70/378368270.db2.gz KIDBXCUYXKWVBG-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@@H]21 ZINC000332187607 378540421 /nfs/dbraw/zinc/54/04/21/378540421.db2.gz YMVFNHFYHUWMAE-MCIONIFRSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]3CN)CC[C@@H]21 ZINC000332187607 378540426 /nfs/dbraw/zinc/54/04/26/378540426.db2.gz YMVFNHFYHUWMAE-MCIONIFRSA-N 1 3 308.426 -0.121 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000332254268 378542861 /nfs/dbraw/zinc/54/28/61/378542861.db2.gz TUKLXAQQJPIIBH-MJBXVCDLSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000331603536 378536640 /nfs/dbraw/zinc/53/66/40/378536640.db2.gz HVYGAJFAKCTHOQ-XQQFMLRXSA-N 1 3 324.425 -0.478 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000331603536 378536644 /nfs/dbraw/zinc/53/66/44/378536644.db2.gz HVYGAJFAKCTHOQ-XQQFMLRXSA-N 1 3 324.425 -0.478 20 0 DBADHO COCCN(C)C[C@H](O)CN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765961 378638155 /nfs/dbraw/zinc/63/81/55/378638155.db2.gz KWJBMPPOBSGTJZ-LSDHHAIUSA-N 1 3 303.447 -0.686 20 0 DBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C(N)C(F)(F)F)C1 ZINC000353518194 378668338 /nfs/dbraw/zinc/66/83/38/378668338.db2.gz MWJCVRKHHUFIIW-DTWKUNHWSA-N 1 3 310.320 -0.420 20 0 DBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)C(N)C(F)(F)F)C1 ZINC000353518194 378668348 /nfs/dbraw/zinc/66/83/48/378668348.db2.gz MWJCVRKHHUFIIW-DTWKUNHWSA-N 1 3 310.320 -0.420 20 0 DBADHO C[C@@H](CN(C)C)NC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353540938 378669685 /nfs/dbraw/zinc/66/96/85/378669685.db2.gz HWJPYHQIWLLRFX-STQMWFEESA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@@H](CN(C)C)NC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000353540938 378669692 /nfs/dbraw/zinc/66/96/92/378669692.db2.gz HWJPYHQIWLLRFX-STQMWFEESA-N 1 3 313.446 -0.177 20 0 DBADHO Cn1cc(CN2CCC(OCC[NH+](C)C)CC2)c(=O)n(C)c1=O ZINC000353529011 378669888 /nfs/dbraw/zinc/66/98/88/378669888.db2.gz OZEAKQMXRNAPOK-UHFFFAOYSA-N 1 3 324.425 -0.373 20 0 DBADHO C[C@@H](CN(C)C)NC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353540937 378670171 /nfs/dbraw/zinc/67/01/71/378670171.db2.gz HWJPYHQIWLLRFX-QWHCGFSZSA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@@H](CN(C)C)NC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353540937 378670177 /nfs/dbraw/zinc/67/01/77/378670177.db2.gz HWJPYHQIWLLRFX-QWHCGFSZSA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354748130 378761483 /nfs/dbraw/zinc/76/14/83/378761483.db2.gz KYIMAWOCJLJVKR-MRVWCRGKSA-N 1 3 308.426 -0.156 20 0 DBADHO COCCN(C)CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114025766 378774012 /nfs/dbraw/zinc/77/40/12/378774012.db2.gz LEAVTLMDRJKGDM-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO CCN1CCN(CCC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000357270360 378934404 /nfs/dbraw/zinc/93/44/04/378934404.db2.gz OZBFRKZOVUMVFX-INIZCTEOSA-N 1 3 312.458 -0.101 20 0 DBADHO CC(C)N1CCO[C@H](CN2CCN(CCOCC[NH3+])CC2)C1 ZINC000357082834 378917920 /nfs/dbraw/zinc/91/79/20/378917920.db2.gz PKCYQTGWTWCJHA-MRXNPFEDSA-N 1 3 314.474 -0.312 20 0 DBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358151598 379007839 /nfs/dbraw/zinc/00/78/39/379007839.db2.gz JYMMVHLZEALTEN-BZUAXINKSA-N 1 3 324.469 -0.151 20 0 DBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000358151598 379007844 /nfs/dbraw/zinc/00/78/44/379007844.db2.gz JYMMVHLZEALTEN-BZUAXINKSA-N 1 3 324.469 -0.151 20 0 DBADHO C[C@@H]1CC2(CN1C(=O)C(=O)N(C)CCN(C)C)CC[NH2+]CC2 ZINC000331584671 296293597 /nfs/dbraw/zinc/29/35/97/296293597.db2.gz IHQPGTOORKSWLS-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@]1(C(N)=O)CCN(C/C=C\C[N@@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361557394 379368089 /nfs/dbraw/zinc/36/80/89/379368089.db2.gz QQRKHMURLHBALD-HFZJXRFXSA-N 1 3 308.426 -0.063 20 0 DBADHO C[C@]1(C(N)=O)CCN(C/C=C\C[N@H+]2CC[C@](C)(C(N)=O)C2)C1 ZINC000361557394 379368097 /nfs/dbraw/zinc/36/80/97/379368097.db2.gz QQRKHMURLHBALD-HFZJXRFXSA-N 1 3 308.426 -0.063 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1=O ZINC000368178824 379531103 /nfs/dbraw/zinc/53/11/03/379531103.db2.gz LTMUCVKTWXEKAN-MCIONIFRSA-N 1 3 308.426 -0.393 20 0 DBADHO CC[N@H+](CCO)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368644873 379550814 /nfs/dbraw/zinc/55/08/14/379550814.db2.gz YPQNQSSSIVIERW-KGLIPLIRSA-N 1 3 314.430 -0.537 20 0 DBADHO CC[N@@H+](CCO)CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000368644873 379550820 /nfs/dbraw/zinc/55/08/20/379550820.db2.gz YPQNQSSSIVIERW-KGLIPLIRSA-N 1 3 314.430 -0.537 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000643453595 379646482 /nfs/dbraw/zinc/64/64/82/379646482.db2.gz KHBRJEGDJYPUBY-KGLIPLIRSA-N 1 3 318.487 -0.329 20 0 DBADHO CS(=O)(=O)N1CCN(CC[NH2+][C@H]2CCCC[C@@H]2CN)CC1 ZINC000643453595 379646492 /nfs/dbraw/zinc/64/64/92/379646492.db2.gz KHBRJEGDJYPUBY-KGLIPLIRSA-N 1 3 318.487 -0.329 20 0 DBADHO C[C@H]1C[C@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000181036822 379746356 /nfs/dbraw/zinc/74/63/56/379746356.db2.gz BCGPHUODJRSIBJ-ARFHVFGLSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@H]1C[C@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@H+]1C ZINC000181036822 379746365 /nfs/dbraw/zinc/74/63/65/379746365.db2.gz BCGPHUODJRSIBJ-ARFHVFGLSA-N 1 3 324.469 -0.008 20 0 DBADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC000187009912 379766033 /nfs/dbraw/zinc/76/60/33/379766033.db2.gz UQGSYOKBOVYMRW-NEPJUHHUSA-N 1 3 300.403 -0.092 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)C1 ZINC000633104181 379832193 /nfs/dbraw/zinc/83/21/93/379832193.db2.gz WKLHUPYBPPRSTL-MCIONIFRSA-N 1 3 310.442 -0.019 20 0 DBADHO CC(=O)N1CCN(C(=O)CN2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000584781742 379843143 /nfs/dbraw/zinc/84/31/43/379843143.db2.gz PJWVURFNYOBTQA-HOTGVXAUSA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC2CNC2)C1 ZINC000584769879 379844420 /nfs/dbraw/zinc/84/44/20/379844420.db2.gz GRROKGYSQXFMAL-STQMWFEESA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CC1CCN(C)CC1)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633091839 379812251 /nfs/dbraw/zinc/81/22/51/379812251.db2.gz ZBBYAWGCTVNPDH-OKILXGFUSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419785076 379969032 /nfs/dbraw/zinc/96/90/32/379969032.db2.gz YHFVKEMQHVEHBF-CHWSQXEVSA-N 1 3 314.430 -0.686 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)N(C)C1CC1 ZINC000419576812 379941333 /nfs/dbraw/zinc/94/13/33/379941333.db2.gz CKKHZBADVQOVBI-WBMJQRKESA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CCSC1 ZINC000419592831 379943447 /nfs/dbraw/zinc/94/34/47/379943447.db2.gz XIYKFSZUNGTOQK-FZMZJTMJSA-N 1 3 314.455 -0.510 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419587853 379943488 /nfs/dbraw/zinc/94/34/88/379943488.db2.gz NWBWJIRFJYFZEH-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000419587841 379943924 /nfs/dbraw/zinc/94/39/24/379943924.db2.gz NWBWJIRFJYFZEH-OLZOCXBDSA-N 1 3 312.414 -0.918 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000419671323 379949294 /nfs/dbraw/zinc/94/92/94/379949294.db2.gz FFHKQFPWWVFNQM-CHWSQXEVSA-N 1 3 314.430 -0.733 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000419671626 379949711 /nfs/dbraw/zinc/94/97/11/379949711.db2.gz FFHKQFPWWVFNQM-STQMWFEESA-N 1 3 314.430 -0.733 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)N[C@@H]1CCN(C2CCCC2)C1)C1CC1 ZINC000419701279 379956783 /nfs/dbraw/zinc/95/67/83/379956783.db2.gz ZEQHAAVDXKXBER-TZMCWYRMSA-N 1 3 308.426 -0.027 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000419876131 379987293 /nfs/dbraw/zinc/98/72/93/379987293.db2.gz HPCSTIFJJYRIPA-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419940561 380000497 /nfs/dbraw/zinc/00/04/97/380000497.db2.gz KYUNSBTZZOVHKJ-LBPRGKRZSA-N 1 3 310.398 -0.119 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000419946179 380002467 /nfs/dbraw/zinc/00/24/67/380002467.db2.gz DOZLEQRHAQLNPI-QWHCGFSZSA-N 1 3 314.430 -0.733 20 0 DBADHO C[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419950355 380002490 /nfs/dbraw/zinc/00/24/90/380002490.db2.gz MDWATZHTFSKMBO-MJBXVCDLSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419950353 380002899 /nfs/dbraw/zinc/00/28/99/380002899.db2.gz MDWATZHTFSKMBO-MGPQQGTHSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000420009460 380005986 /nfs/dbraw/zinc/00/59/86/380005986.db2.gz VUGOTGITTSEPLL-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000420008390 380006834 /nfs/dbraw/zinc/00/68/34/380006834.db2.gz UIPSLKFGQKHSAL-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N1CCC[C@H](N2CCCC2)C1)C1CC1 ZINC000420069688 380018600 /nfs/dbraw/zinc/01/86/00/380018600.db2.gz VTVZTBFLNRJECV-KBPBESRZSA-N 1 3 308.426 -0.073 20 0 DBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N(CCOC)CCN(C)C)C1 ZINC000423266018 380319505 /nfs/dbraw/zinc/31/95/05/380319505.db2.gz RNQSKKXECRKVFK-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO [NH3+]CC1(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000423383212 380334951 /nfs/dbraw/zinc/33/49/51/380334951.db2.gz PGKJPOPKYBQLGZ-UHFFFAOYSA-N 1 3 308.426 -0.118 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCC[C@@H](N3CCCC3)C2)C1 ZINC000423147599 380310810 /nfs/dbraw/zinc/31/08/10/380310810.db2.gz DAWFEJTYVUQHPV-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423151623 380311736 /nfs/dbraw/zinc/31/17/36/380311736.db2.gz KHADAFVLNWOIOX-ZNMIVQPWSA-N 1 3 320.437 -0.249 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@@]1(C)C[NH3+] ZINC000423211976 380314992 /nfs/dbraw/zinc/31/49/92/380314992.db2.gz LIYWKCXYKKRMBT-CZUORRHYSA-N 1 3 310.442 -0.016 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000423504376 380341782 /nfs/dbraw/zinc/34/17/82/380341782.db2.gz LBHVDMXGYVOPML-ZIAGYGMSSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CCO[C@H](C[NH3+])C2)CCC1 ZINC000423565993 380347780 /nfs/dbraw/zinc/34/77/80/380347780.db2.gz BTAHLZSSHZUMAI-GFCCVEGCSA-N 1 3 312.414 -0.885 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000643489760 380360216 /nfs/dbraw/zinc/36/02/16/380360216.db2.gz ILNJOHHSYHMMDA-BYNSBNAKSA-N 1 3 322.453 -0.018 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000643489759 380360894 /nfs/dbraw/zinc/36/08/94/380360894.db2.gz ILNJOHHSYHMMDA-AJNGGQMLSA-N 1 3 322.453 -0.018 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643500365 380491368 /nfs/dbraw/zinc/49/13/68/380491368.db2.gz KQJWODDHTFABQM-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)CCO1 ZINC000643505779 380503299 /nfs/dbraw/zinc/50/32/99/380503299.db2.gz NGAKIAVMHRIKCM-AVGNSLFASA-N 1 3 312.414 -0.886 20 0 DBADHO CN1CCC[C@@H]1CNC(=O)NCc1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000626949583 380514245 /nfs/dbraw/zinc/51/42/45/380514245.db2.gz FXOXIGWRJUMMMY-CHWSQXEVSA-N 1 3 307.402 -0.294 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643513439 380532557 /nfs/dbraw/zinc/53/25/57/380532557.db2.gz SSFVCVQGQFGYLG-XJKSGUPXSA-N 1 3 306.410 -0.495 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643516727 380543493 /nfs/dbraw/zinc/54/34/93/380543493.db2.gz OKEXCVYQMWRGKC-KBUPBQIOSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)C[C@H]1N(C)C ZINC000643520746 380548008 /nfs/dbraw/zinc/54/80/08/380548008.db2.gz IEZULWFCFVEKOZ-XHJNMGKDSA-N 1 3 308.426 -0.409 20 0 DBADHO CS(=O)(=O)N1CC[C@H](CNC[C@H](O)C[NH+]2CCCC2)C1 ZINC000629572502 380693031 /nfs/dbraw/zinc/69/30/31/380693031.db2.gz VCEXHQMMDVUWGA-OLZOCXBDSA-N 1 3 305.444 -0.686 20 0 DBADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000629595424 380696776 /nfs/dbraw/zinc/69/67/76/380696776.db2.gz PBCXUHDWUWDDKF-OLZOCXBDSA-N 1 3 317.455 -0.231 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@@H](N(C)C)C1 ZINC000629795227 380723434 /nfs/dbraw/zinc/72/34/34/380723434.db2.gz HXQYUIYNWIIXQB-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N1CCC[C@H](N(C)C)C1 ZINC000629795228 380723646 /nfs/dbraw/zinc/72/36/46/380723646.db2.gz HXQYUIYNWIIXQB-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000629801074 380725650 /nfs/dbraw/zinc/72/56/50/380725650.db2.gz AOAXATUBLWRRPF-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CN(CCOCC[NH3+])C(=O)C(=O)N(C)CCN1CCCCC1 ZINC000629805635 380729163 /nfs/dbraw/zinc/72/91/63/380729163.db2.gz OFKSVFWIUQUTEA-UHFFFAOYSA-N 1 3 314.430 -0.636 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000459900145 380791805 /nfs/dbraw/zinc/79/18/05/380791805.db2.gz RBSALMUQWNMIFZ-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000459900145 380791808 /nfs/dbraw/zinc/79/18/08/380791808.db2.gz RBSALMUQWNMIFZ-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO Cn1c2ncn(CCN[C@@H]3C[C@@H]([NH3+])C3(C)C)c2c(=O)n(C)c1=O ZINC000641802109 380971967 /nfs/dbraw/zinc/97/19/67/380971967.db2.gz IDDQSUUKYMDXTI-NXEZZACHSA-N 1 3 320.397 -0.851 20 0 DBADHO Cn1c2ncn(CC[NH2+][C@@H]3C[C@@H](N)C3(C)C)c2c(=O)n(C)c1=O ZINC000641802109 380971974 /nfs/dbraw/zinc/97/19/74/380971974.db2.gz IDDQSUUKYMDXTI-NXEZZACHSA-N 1 3 320.397 -0.851 20 0 DBADHO C[C@@H](CNC(=O)NC[C@@H]1COCCN1)C[NH+]1CCN(C)CC1 ZINC000626986362 381047922 /nfs/dbraw/zinc/04/79/22/381047922.db2.gz GPCFWVUJZQSWFC-UONOGXRCSA-N 1 3 313.446 -0.843 20 0 DBADHO C[C@@H](CNC(=O)NC[C@H]1COCCN1)C[NH+]1CCN(C)CC1 ZINC000626986358 381048030 /nfs/dbraw/zinc/04/80/30/381048030.db2.gz GPCFWVUJZQSWFC-KBPBESRZSA-N 1 3 313.446 -0.843 20 0 DBADHO CN(CCOCC[NH3+])C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000627029461 381058313 /nfs/dbraw/zinc/05/83/13/381058313.db2.gz SYYWAXDAYSOAQW-UHFFFAOYSA-N 1 3 315.462 -0.371 20 0 DBADHO CN(C)S(=O)(=O)CCCN1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000572524433 381070585 /nfs/dbraw/zinc/07/05/85/381070585.db2.gz ONJBRZQJAISQJY-ZDUSSCGKSA-N 1 3 319.471 -0.045 20 0 DBADHO O=C(NCc1ccccc1C[NH+]1CCCC1)C(=O)NC1CNC1 ZINC000642318721 381090124 /nfs/dbraw/zinc/09/01/24/381090124.db2.gz MVAFNZOOUACNMW-UHFFFAOYSA-N 1 3 316.405 -0.013 20 0 DBADHO [NH3+]C1(CNC(=O)NC[C@@H]2CCCCN2CCO)CCOCC1 ZINC000627148446 381111451 /nfs/dbraw/zinc/11/14/51/381111451.db2.gz DBJFIUIIOGQLTB-ZDUSSCGKSA-N 1 3 314.430 -0.360 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC000627245547 381274478 /nfs/dbraw/zinc/27/44/78/381274478.db2.gz PMCLDHGJLNUQSP-WCFLWFBJSA-N 1 3 307.402 -0.166 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H](O)Cc1cnn(C)c1 ZINC000530350565 381307098 /nfs/dbraw/zinc/30/70/98/381307098.db2.gz PTSJETYXFXGNAT-CQSZACIVSA-N 1 3 311.430 -0.725 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NCC2CC[NH+](C)CC2)CC1=O ZINC000073244710 381435285 /nfs/dbraw/zinc/43/52/85/381435285.db2.gz COGXKVPEHXDFMC-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC[NH+](C)C ZINC000133581783 381462195 /nfs/dbraw/zinc/46/21/95/381462195.db2.gz DKSWLFIFHAZDEG-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000245473097 381563072 /nfs/dbraw/zinc/56/30/72/381563072.db2.gz ZWVVZWZIIUXTAX-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000245473097 381563078 /nfs/dbraw/zinc/56/30/78/381563078.db2.gz ZWVVZWZIIUXTAX-KGLIPLIRSA-N 1 3 310.442 -0.146 20 0 DBADHO C[N@H+](CCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000566507726 381661804 /nfs/dbraw/zinc/66/18/04/381661804.db2.gz AOAFTVUXAQPIND-KGLIPLIRSA-N 1 3 323.441 -0.186 20 0 DBADHO C[N@@H+](CCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC1 ZINC000566507726 381661812 /nfs/dbraw/zinc/66/18/12/381661812.db2.gz AOAFTVUXAQPIND-KGLIPLIRSA-N 1 3 323.441 -0.186 20 0 DBADHO NC(=O)NC(=O)CC[NH2+]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000567687996 381709448 /nfs/dbraw/zinc/70/94/48/381709448.db2.gz GWNDCLDUDURPGK-OLZOCXBDSA-N 1 3 312.414 -0.071 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CCN2C1=O ZINC000568267186 381752204 /nfs/dbraw/zinc/75/22/04/381752204.db2.gz CAHHNRGUXYOMSZ-DMFQKCBSSA-N 1 3 320.437 -0.090 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CCN2C1=O ZINC000568267187 381752344 /nfs/dbraw/zinc/75/23/44/381752344.db2.gz CAHHNRGUXYOMSZ-DVUXXLOYSA-N 1 3 320.437 -0.090 20 0 DBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N[C@H]2CC[NH2+]C2)CCCO1 ZINC000568292939 381754433 /nfs/dbraw/zinc/75/44/33/381754433.db2.gz ZTIFRODARLBXQR-OLZOCXBDSA-N 1 3 312.414 -0.918 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCC[NH+]3CCCCC3)CCN2C1=O ZINC000572663506 381796355 /nfs/dbraw/zinc/79/63/55/381796355.db2.gz QWNPKMDIRYYRCP-ZIAGYGMSSA-N 1 3 323.441 -0.184 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CCN2C1=O ZINC000574703220 381875587 /nfs/dbraw/zinc/87/55/87/381875587.db2.gz AWDFOSDMTJWNQN-HZSPNIEDSA-N 1 3 320.368 -0.362 20 0 DBADHO O=C(NCC[C@H]1CCC[NH2+]1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000574060562 381849625 /nfs/dbraw/zinc/84/96/25/381849625.db2.gz HLBBKDSIXYAIBS-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CN2CCN1CCC2 ZINC000574099099 381852461 /nfs/dbraw/zinc/85/24/61/381852461.db2.gz UDUDVGYARHZSSL-CABCVRRESA-N 1 3 312.458 -0.415 20 0 DBADHO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000574099104 381852477 /nfs/dbraw/zinc/85/24/77/381852477.db2.gz UDUDVGYARHZSSL-LSDHHAIUSA-N 1 3 312.458 -0.415 20 0 DBADHO O=C(C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN2CCC[C@H]2C1 ZINC000574563071 381869289 /nfs/dbraw/zinc/86/92/89/381869289.db2.gz CALHIKVQIJMHNQ-RDBSUJKOSA-N 1 3 306.410 -0.354 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CCN2C1=O ZINC000574651262 381874400 /nfs/dbraw/zinc/87/44/00/381874400.db2.gz DRMKHLAYBYUVBP-AGIUHOORSA-N 1 3 309.414 -0.543 20 0 DBADHO COCCC[NH+]1CCC(NC[C@H](O)CN2CCOCC2)CC1 ZINC000575862254 381899851 /nfs/dbraw/zinc/89/98/51/381899851.db2.gz ZEAOBZBVVYGUFC-INIZCTEOSA-N 1 3 315.458 -0.230 20 0 DBADHO CCC[N@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CC(=O)N(C)C1=O ZINC000575850680 381900194 /nfs/dbraw/zinc/90/01/94/381900194.db2.gz NUKBEFNFFAYFEC-OLZOCXBDSA-N 1 3 324.425 -0.347 20 0 DBADHO CCC[N@@H+](C[C@H]1CCCN(C(=O)CN)C1)[C@H]1CC(=O)N(C)C1=O ZINC000575850680 381900203 /nfs/dbraw/zinc/90/02/03/381900203.db2.gz NUKBEFNFFAYFEC-OLZOCXBDSA-N 1 3 324.425 -0.347 20 0 DBADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCC1 ZINC000576600071 381930647 /nfs/dbraw/zinc/93/06/47/381930647.db2.gz TZRJUAOQKRIGAU-NWDGAFQWSA-N 1 3 309.414 -0.576 20 0 DBADHO CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](N)CC(=O)OC)CC1 ZINC000576277769 381918048 /nfs/dbraw/zinc/91/80/48/381918048.db2.gz RFJJSMDALZYKMY-OLZOCXBDSA-N 1 3 314.430 -0.733 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000577530177 381965590 /nfs/dbraw/zinc/96/55/90/381965590.db2.gz AATHXPPUGUQMGK-UVLXDEKHSA-N 1 3 321.425 -0.435 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C[N@H+]1C1CC1 ZINC000577530177 381965592 /nfs/dbraw/zinc/96/55/92/381965592.db2.gz AATHXPPUGUQMGK-UVLXDEKHSA-N 1 3 321.425 -0.435 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000177374830 381966199 /nfs/dbraw/zinc/96/61/99/381966199.db2.gz SOJYUDBXYKZMDC-LBPRGKRZSA-N 1 3 313.446 -0.212 20 0 DBADHO CC(=O)N1CCN(C(=O)[C@@H](C)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC1 ZINC000576874712 381939500 /nfs/dbraw/zinc/93/95/00/381939500.db2.gz AXONITWFGPTTBA-BMFZPTHFSA-N 1 3 322.453 -0.003 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCN2C1=O ZINC000580583243 381946203 /nfs/dbraw/zinc/94/62/03/381946203.db2.gz SNMCJZHVCNOVAV-XVIXHAIJSA-N 1 3 321.425 -0.672 20 0 DBADHO CC[NH2+]CC1CCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)CC1 ZINC000577170878 381952631 /nfs/dbraw/zinc/95/26/31/381952631.db2.gz LWSDYCWFNKWSNO-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000577734883 381972947 /nfs/dbraw/zinc/97/29/47/381972947.db2.gz OADSLOWBJTVFSS-GDBMZVCRSA-N 1 3 312.458 -0.245 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)C1CC1 ZINC000579334004 382060952 /nfs/dbraw/zinc/06/09/52/382060952.db2.gz XQVDAHXDGVRZSX-INIZCTEOSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(NC[C@H]1CCCCN1CCO)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000578595355 382023605 /nfs/dbraw/zinc/02/36/05/382023605.db2.gz HXJANMPPKNQLPZ-HUUCEWRRSA-N 1 3 310.442 -0.661 20 0 DBADHO O=C(NC[C@H]1CCCCN1CCO)[C@H]1C[N@H+]2CCN1CCC2 ZINC000578595355 382023608 /nfs/dbraw/zinc/02/36/08/382023608.db2.gz HXJANMPPKNQLPZ-HUUCEWRRSA-N 1 3 310.442 -0.661 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000578625046 382026418 /nfs/dbraw/zinc/02/64/18/382026418.db2.gz KDFSNIOSKKHJTA-CQSZACIVSA-N 1 3 323.441 -0.312 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000578767395 382034202 /nfs/dbraw/zinc/03/42/02/382034202.db2.gz UCIMBFBZXVHAQG-QNWHQSFQSA-N 1 3 309.414 -0.543 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1=O ZINC000579478969 382071196 /nfs/dbraw/zinc/07/11/96/382071196.db2.gz GEITUHNRTZDIKH-WMLDXEAASA-N 1 3 322.453 -0.001 20 0 DBADHO [NH3+]CCCCn1cc(C(=O)NCCNc2ccncc2)nn1 ZINC000581819571 382176073 /nfs/dbraw/zinc/17/60/73/382176073.db2.gz VAFVMAIHWVZQRQ-UHFFFAOYSA-N 1 3 303.370 -0.324 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)n1 ZINC000581141120 382131058 /nfs/dbraw/zinc/13/10/58/382131058.db2.gz RIRQPXCZNAPNNT-INIZCTEOSA-N 1 3 321.425 -0.369 20 0 DBADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@H]2CCN(C3CC3)C2)CC1=O ZINC000073074456 382322306 /nfs/dbraw/zinc/32/23/06/382322306.db2.gz JSHLATFGGDKNIF-STQMWFEESA-N 1 3 308.426 -0.251 20 0 DBADHO CCN(CC[NH3+])C(=O)C(=O)NCCCN1CCCO[C@@H](C)C1 ZINC000627296309 382359114 /nfs/dbraw/zinc/35/91/14/382359114.db2.gz DELSNNZNPPOJFM-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1C ZINC000627305156 382444951 /nfs/dbraw/zinc/44/49/51/382444951.db2.gz PIECJMGNQIRMHC-UPJWGTAASA-N 1 3 308.426 -0.014 20 0 DBADHO CCn1nc(C(=O)N(CCN(C)C)CC[NH+](C)C)ccc1=O ZINC000110718532 382452188 /nfs/dbraw/zinc/45/21/88/382452188.db2.gz OTSNSCFHJWELTO-UHFFFAOYSA-N 1 3 309.414 -0.171 20 0 DBADHO CC(C)[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CCN1 ZINC000621153120 382466446 /nfs/dbraw/zinc/46/64/46/382466446.db2.gz KZMPRONAUZLFLB-KBPBESRZSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N(C)CCOCC[NH3+])CCC1 ZINC000627341540 382527880 /nfs/dbraw/zinc/52/78/80/382527880.db2.gz KQYCTUUVAFCBTG-UHFFFAOYSA-N 1 3 300.403 -0.979 20 0 DBADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)C2 ZINC000621845226 382516756 /nfs/dbraw/zinc/51/67/56/382516756.db2.gz FRQSCZLHQCLEPW-VBQJREDUSA-N 1 3 320.437 -0.073 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621845781 382516850 /nfs/dbraw/zinc/51/68/50/382516850.db2.gz PHLIILAPCANUNJ-WFASDCNBSA-N 1 3 312.414 -0.979 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1 ZINC000621849323 382518441 /nfs/dbraw/zinc/51/84/41/382518441.db2.gz RVCBKZFYPLJGQX-HEHGZKQESA-N 1 3 308.426 -0.073 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)C[C@@H]21 ZINC000622031556 382538932 /nfs/dbraw/zinc/53/89/32/382538932.db2.gz PJGDSFSRBOXUKZ-FOCJUVANSA-N 1 3 306.410 -0.511 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622026938 382535564 /nfs/dbraw/zinc/53/55/64/382535564.db2.gz VIFAKJJXVZJBLU-BBRMVZONSA-N 1 3 308.426 -0.120 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622029797 382536313 /nfs/dbraw/zinc/53/63/13/382536313.db2.gz LOBALZYLBLHKNV-LRDDRELGSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622031229 382537978 /nfs/dbraw/zinc/53/79/78/382537978.db2.gz JIJBKMQIRUQLFX-WWGRRREGSA-N 1 3 308.426 -0.121 20 0 DBADHO [NH3+]CCCOCCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000627485752 382632622 /nfs/dbraw/zinc/63/26/22/382632622.db2.gz JRWBZMMQZIIYES-CYBMUJFWSA-N 1 3 312.414 -0.835 20 0 DBADHO CN(CC1CCN(C)CC1)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627487544 382633096 /nfs/dbraw/zinc/63/30/96/382633096.db2.gz GFGNVHGLBYYYDB-UHFFFAOYSA-N 1 3 314.430 -0.732 20 0 DBADHO Nc1nc(N)nc(NCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000624082755 382598997 /nfs/dbraw/zinc/59/89/97/382598997.db2.gz JWBHBQYFYPTQAF-UHFFFAOYSA-N 1 3 300.370 -0.158 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCC(C)CC1 ZINC000642644455 382614726 /nfs/dbraw/zinc/61/47/26/382614726.db2.gz KBFPWANSFSEFPN-KFWWJZLASA-N 1 3 322.453 -0.099 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)NCCOCCC[NH3+])CC1 ZINC000627357245 382617893 /nfs/dbraw/zinc/61/78/93/382617893.db2.gz BEJCMDXXJNCQML-UHFFFAOYSA-N 1 3 314.430 -0.684 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)NCCN1CCC(C)CC1 ZINC000627357864 382617947 /nfs/dbraw/zinc/61/79/47/382617947.db2.gz STLABCGYQQHYNO-UHFFFAOYSA-N 1 3 314.430 -0.813 20 0 DBADHO CCN(CC[NH3+])C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000627370753 382619728 /nfs/dbraw/zinc/61/97/28/382619728.db2.gz LGXVSZAJBIWJCC-CYBMUJFWSA-N 1 3 302.444 -0.653 20 0 DBADHO C[C@@H](NC(=O)C(=O)NCCOCCC[NH3+])C1=CCN(C)CC1 ZINC000627377140 382620535 /nfs/dbraw/zinc/62/05/35/382620535.db2.gz ZNXBYPRBXKAMRP-GFCCVEGCSA-N 1 3 312.414 -0.765 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[NH2+]1 ZINC000627380446 382620776 /nfs/dbraw/zinc/62/07/76/382620776.db2.gz PYTFQBFJTWHXKC-XBFCOCLRSA-N 1 3 308.426 -0.156 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627380725 382621023 /nfs/dbraw/zinc/62/10/23/382621023.db2.gz XAFHXKNXBLSYQT-KGLIPLIRSA-N 1 3 320.437 -0.012 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000627428726 382626090 /nfs/dbraw/zinc/62/60/90/382626090.db2.gz MXDVYDKOFLTWNW-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627445964 382627617 /nfs/dbraw/zinc/62/76/17/382627617.db2.gz CKNVGJXNOZWRSA-QWHCGFSZSA-N 1 3 308.426 -0.060 20 0 DBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627453215 382628460 /nfs/dbraw/zinc/62/84/60/382628460.db2.gz GYJWDPNYMKCWCB-GFCCVEGCSA-N 1 3 312.414 -0.789 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000627462798 382629538 /nfs/dbraw/zinc/62/95/38/382629538.db2.gz DGBLQQKHBSPJEL-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[NH2+]1 ZINC000627478147 382631904 /nfs/dbraw/zinc/63/19/04/382631904.db2.gz IGQZCODKTLOERM-RQJABVFESA-N 1 3 308.426 -0.062 20 0 DBADHO CCN1CCN(CCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631272979 382647001 /nfs/dbraw/zinc/64/70/01/382647001.db2.gz QBKHJZVLLPVPPJ-UHFFFAOYSA-N 1 3 322.457 -0.188 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CN(S(=O)(=O)CCCN2CCCC2)CCO1 ZINC000631907523 382653486 /nfs/dbraw/zinc/65/34/86/382653486.db2.gz MPZPAEXLSUULQT-STQMWFEESA-N 1 3 305.444 -0.150 20 0 DBADHO CN(C)[C@H]1CCCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631918642 382654303 /nfs/dbraw/zinc/65/43/03/382654303.db2.gz IIXYSGIGEPXROF-ZDUSSCGKSA-N 1 3 304.460 -0.059 20 0 DBADHO C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631961799 382657221 /nfs/dbraw/zinc/65/72/21/382657221.db2.gz BZCOJQSMPQAVKK-AAEUAGOBSA-N 1 3 304.460 -0.061 20 0 DBADHO CN(C(=O)Nc1cnn(C2CCN(C)CC2)c1)[C@H]1C[NH2+]C[C@@H]1O ZINC000632960122 382679519 /nfs/dbraw/zinc/67/95/19/382679519.db2.gz CIGKSRQAIAMHFV-KBPBESRZSA-N 1 3 322.413 -0.054 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C[C@H]1C[NH3+] ZINC000633095704 382682010 /nfs/dbraw/zinc/68/20/10/382682010.db2.gz YCUPAKWVJVEZGU-SYQHCUMBSA-N 1 3 308.426 -0.265 20 0 DBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC000634251943 382693621 /nfs/dbraw/zinc/69/36/21/382693621.db2.gz UEWFETCZSPCFIV-AJNGGQMLSA-N 1 3 320.437 -0.014 20 0 DBADHO CN1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC000634251943 382693622 /nfs/dbraw/zinc/69/36/22/382693622.db2.gz UEWFETCZSPCFIV-AJNGGQMLSA-N 1 3 320.437 -0.014 20 0 DBADHO COc1ccccc1[C@@H](N)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646603063 391917780 /nfs/dbraw/zinc/91/77/80/391917780.db2.gz HHMFQDUQGDAUFU-QWHCGFSZSA-N 1 3 320.393 -0.321 20 0 DBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000572519694 391948532 /nfs/dbraw/zinc/94/85/32/391948532.db2.gz RPKHTDDIGISIIJ-XHDPSFHLSA-N 1 3 319.413 -0.067 20 0 DBADHO C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CN3CCN1CCC3)CCO2 ZINC000649131240 392013697 /nfs/dbraw/zinc/01/36/97/392013697.db2.gz DMPUAXOVJWPQSZ-OAHLLOKOSA-N 1 3 322.453 -0.301 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000236840412 391974526 /nfs/dbraw/zinc/97/45/26/391974526.db2.gz RLMNYKQNROUVDM-INIZCTEOSA-N 1 3 310.442 -0.001 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC1(C)COC1 ZINC000554023141 392089113 /nfs/dbraw/zinc/08/91/13/392089113.db2.gz GOBRLUYLZVURQY-UHFFFAOYSA-N 1 3 314.430 -0.909 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649320061 392033893 /nfs/dbraw/zinc/03/38/93/392033893.db2.gz MJQLWCYJJDYVDL-NHAGDIPZSA-N 1 3 308.426 -0.536 20 0 DBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000649352644 392052666 /nfs/dbraw/zinc/05/26/66/392052666.db2.gz BTKRCSKEBSTMKK-RRFJBIMHSA-N 1 3 310.442 -0.398 20 0 DBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCN([C@@H]3CCCN(C)C3)CC2)C1 ZINC000649352643 392052920 /nfs/dbraw/zinc/05/29/20/392052920.db2.gz BTKRCSKEBSTMKK-RBSFLKMASA-N 1 3 310.442 -0.398 20 0 DBADHO C[N@@H+]1CCC[C@H](N2CCN(CCC(=O)N3CCNCC3)CC2)C1 ZINC000649414785 392067148 /nfs/dbraw/zinc/06/71/48/392067148.db2.gz XQHZPMXDUKRDKH-INIZCTEOSA-N 1 3 323.485 -0.480 20 0 DBADHO C[N@H+]1CCC[C@H](N2CCN(CCC(=O)N3CCNCC3)CC2)C1 ZINC000649414785 392067155 /nfs/dbraw/zinc/06/71/55/392067155.db2.gz XQHZPMXDUKRDKH-INIZCTEOSA-N 1 3 323.485 -0.480 20 0 DBADHO C[C@H](C(=O)N1CCOCC1)N1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649412364 392067428 /nfs/dbraw/zinc/06/74/28/392067428.db2.gz DFQURBIQDDSNDG-CVEARBPZSA-N 1 3 324.469 -0.149 20 0 DBADHO C[C@@H]([NH3+])[C@@H]1CN(CC(=O)NC2CCN(C3CC3)CC2)CCO1 ZINC000649410622 392067594 /nfs/dbraw/zinc/06/75/94/392067594.db2.gz KOWDAZSXDMIXNI-DOMZBBRYSA-N 1 3 310.442 -0.223 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCCN(C)C3)C[C@H]2[NH3+])cn1 ZINC000644196980 392693498 /nfs/dbraw/zinc/69/34/98/392693498.db2.gz JMTGWLFGRUSERZ-HZSPNIEDSA-N 1 3 306.414 -0.050 20 0 DBADHO O[C@H](C[NH2+]C[C@H](O)CN1CCCCC1)CN1CCOCC1 ZINC000647517912 392632050 /nfs/dbraw/zinc/63/20/50/392632050.db2.gz SZHFUEFMZYTIOZ-LSDHHAIUSA-N 1 3 301.431 -0.884 20 0 DBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000647595190 392652689 /nfs/dbraw/zinc/65/26/89/392652689.db2.gz RYMQIRHMUICLJQ-COPLHBTASA-N 1 3 316.471 -0.218 20 0 DBADHO COCCN(C)CCNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111852355 392844372 /nfs/dbraw/zinc/84/43/72/392844372.db2.gz BCGMYXVGTSDYFL-UHFFFAOYSA-N 1 3 316.446 -0.432 20 0 DBADHO CN(C)CCN1CCC([NH2+]C[C@H](O)CN2CCOCC2)CC1 ZINC000644677908 392784262 /nfs/dbraw/zinc/78/42/62/392784262.db2.gz NWSIPPMTZCEULF-INIZCTEOSA-N 1 3 314.474 -0.705 20 0 DBADHO CCCNC(=O)CN(C)C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000319236314 392806932 /nfs/dbraw/zinc/80/69/32/392806932.db2.gz LREZDHLVHMIFQD-OKILXGFUSA-N 1 3 310.442 -0.098 20 0 DBADHO O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)N1CCNC(=O)C1 ZINC000647977122 393030156 /nfs/dbraw/zinc/03/01/56/393030156.db2.gz XZIAGYLSBPJKSL-KBPBESRZSA-N 1 3 308.426 -0.344 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)NCCN1CC[NH2+]CC1 ZINC000417573131 393061243 /nfs/dbraw/zinc/06/12/43/393061243.db2.gz WPKRUTLGNAAMII-AWEZNQCLSA-N 1 3 313.446 -0.698 20 0 DBADHO COCCCN(C)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000417759221 393071786 /nfs/dbraw/zinc/07/17/86/393071786.db2.gz WBMDDTFUMYHHSB-CYBMUJFWSA-N 1 3 301.435 -0.843 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000349756697 393214992 /nfs/dbraw/zinc/21/49/92/393214992.db2.gz IUKYAJWAUAZRPJ-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)N1CCN(C2CCCC2)CC1 ZINC000351561108 393287097 /nfs/dbraw/zinc/28/70/97/393287097.db2.gz XPRQTJDXFRMHJB-CQSZACIVSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000331778050 393325371 /nfs/dbraw/zinc/32/53/71/393325371.db2.gz HCLWQSPUPGHGPJ-ILXRZTDVSA-N 1 3 322.453 -0.005 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000333819654 393363689 /nfs/dbraw/zinc/36/36/89/393363689.db2.gz KRHUDBIXIBIFGC-UONOGXRCSA-N 1 3 323.441 -0.314 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)nc1 ZINC000104533858 393406990 /nfs/dbraw/zinc/40/69/90/393406990.db2.gz KRJWQNKMZDZBQZ-UHFFFAOYSA-N 1 3 307.398 -0.254 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000362744631 393450063 /nfs/dbraw/zinc/45/00/63/393450063.db2.gz JVNDITDWFHJORF-HUUCEWRRSA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000362744631 393450070 /nfs/dbraw/zinc/45/00/70/393450070.db2.gz JVNDITDWFHJORF-HUUCEWRRSA-N 1 3 322.453 -0.049 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419095033 393543276 /nfs/dbraw/zinc/54/32/76/393543276.db2.gz CASKXVAKKYOBQI-JQWIXIFHSA-N 1 3 312.414 -0.574 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419095033 393543280 /nfs/dbraw/zinc/54/32/80/393543280.db2.gz CASKXVAKKYOBQI-JQWIXIFHSA-N 1 3 312.414 -0.574 20 0 DBADHO CN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)C1CC1 ZINC000419112146 393543758 /nfs/dbraw/zinc/54/37/58/393543758.db2.gz UWSIHQKOMXYJCH-YUTCNCBUSA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418543494 393502196 /nfs/dbraw/zinc/50/21/96/393502196.db2.gz HZKCYYQUJFDMDN-CHWSQXEVSA-N 1 3 311.430 -0.328 20 0 DBADHO C[C@H]([NH3+])[C@H](C)NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418728697 393502689 /nfs/dbraw/zinc/50/26/89/393502689.db2.gz QNCGAFOTKQFHEE-AVGNSLFASA-N 1 3 311.430 -0.330 20 0 DBADHO COCCN1CCC(NC(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000123685505 393503039 /nfs/dbraw/zinc/50/30/39/393503039.db2.gz AHMLEOOEKHOREI-HNNXBMFYSA-N 1 3 316.446 -0.291 20 0 DBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CNCCO2)CCCC1 ZINC000418830753 393508354 /nfs/dbraw/zinc/50/83/54/393508354.db2.gz JZKUXKYIUOFKTF-GFCCVEGCSA-N 1 3 312.414 -0.918 20 0 DBADHO C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CNCCO2)CCCC1 ZINC000418830754 393508890 /nfs/dbraw/zinc/50/88/90/393508890.db2.gz JZKUXKYIUOFKTF-LBPRGKRZSA-N 1 3 312.414 -0.918 20 0 DBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCC[NH3+] ZINC000418842777 393512204 /nfs/dbraw/zinc/51/22/04/393512204.db2.gz BQGFIRKWQHIXLX-AWEZNQCLSA-N 1 3 306.410 -0.260 20 0 DBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N(C)CC[NH3+] ZINC000418842812 393512688 /nfs/dbraw/zinc/51/26/88/393512688.db2.gz BVQMYGKLSBKPSP-CQSZACIVSA-N 1 3 306.410 -0.307 20 0 DBADHO CN(C)[C@@H](CNC(=O)C(=O)N[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000418857606 393520183 /nfs/dbraw/zinc/52/01/83/393520183.db2.gz ZJVINORSGHVJQH-LSDHHAIUSA-N 1 3 318.421 -0.246 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418879064 393526268 /nfs/dbraw/zinc/52/62/68/393526268.db2.gz RWPDXPVFAQWYOY-HIFRSBDPSA-N 1 3 320.437 -0.014 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(CC2CCCC2)C1 ZINC000419220917 393553521 /nfs/dbraw/zinc/55/35/21/393553521.db2.gz AGAXJHWDUVNUDJ-KGLIPLIRSA-N 1 3 308.426 -0.155 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419282758 393566888 /nfs/dbraw/zinc/56/68/88/393566888.db2.gz ISQBQKJBNVPUMU-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000419405563 393573018 /nfs/dbraw/zinc/57/30/18/393573018.db2.gz HUPJCVAZDOCVQI-KGLIPLIRSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419404579 393573435 /nfs/dbraw/zinc/57/34/35/393573435.db2.gz GFHXVNAWIBCGQS-ZDUSSCGKSA-N 1 3 308.426 -0.130 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000419405564 393573617 /nfs/dbraw/zinc/57/36/17/393573617.db2.gz HUPJCVAZDOCVQI-UONOGXRCSA-N 1 3 310.442 -0.050 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000419403434 393571676 /nfs/dbraw/zinc/57/16/76/393571676.db2.gz DRSVDZQBHIQXSR-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000419403419 393571891 /nfs/dbraw/zinc/57/18/91/393571891.db2.gz DOWGNIYOAZUULT-MGPQQGTHSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NCCN(C)CCCOC ZINC000419456406 393581405 /nfs/dbraw/zinc/58/14/05/393581405.db2.gz ZWTQJAKFIFMXJL-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@H]([NH3+])C2CC2)CCSC1 ZINC000419576968 393586280 /nfs/dbraw/zinc/58/62/80/393586280.db2.gz CVAKWWNEZHARBV-FZMZJTMJSA-N 1 3 314.455 -0.607 20 0 DBADHO CCN(CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C1CC1 ZINC000419525304 393587328 /nfs/dbraw/zinc/58/73/28/393587328.db2.gz RMFOZFJQLRZCNU-STQMWFEESA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000419579537 393589364 /nfs/dbraw/zinc/58/93/64/393589364.db2.gz HIABIMCBPZKJFU-RISCZKNCSA-N 1 3 314.455 -0.592 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419580997 393589585 /nfs/dbraw/zinc/58/95/85/393589585.db2.gz ICHQQJPRBRTFJG-CHWSQXEVSA-N 1 3 312.414 -0.837 20 0 DBADHO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419590590 393591110 /nfs/dbraw/zinc/59/11/10/393591110.db2.gz UILXXDSYVABUBH-SMDDNHRTSA-N 1 3 316.471 -0.361 20 0 DBADHO C[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)[C@@H]1CN ZINC000423717618 393614206 /nfs/dbraw/zinc/61/42/06/393614206.db2.gz BDSGQJUWFALVRX-MGPQQGTHSA-N 1 3 310.442 -0.018 20 0 DBADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000423717167 393614221 /nfs/dbraw/zinc/61/42/21/393614221.db2.gz ZBCCBRQHXSVFBG-ILXRZTDVSA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@H]1C[NH3+] ZINC000424022110 393625465 /nfs/dbraw/zinc/62/54/65/393625465.db2.gz UPTLTSXZFVGOBR-HZSPNIEDSA-N 1 3 310.442 -0.160 20 0 DBADHO CCN(CCO)CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424441577 393639495 /nfs/dbraw/zinc/63/94/95/393639495.db2.gz AQAHXJMTYVOSCZ-UHFFFAOYSA-N 1 3 322.409 -0.177 20 0 DBADHO CN(CCCN1CCN(C)CC1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000646061821 393747491 /nfs/dbraw/zinc/74/74/91/393747491.db2.gz RZVBFMDPEVDBDX-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C2(C)C[NH2+]C2)cn1 ZINC000646075437 393748466 /nfs/dbraw/zinc/74/84/66/393748466.db2.gz RMDMHAYRMZBYOK-UHFFFAOYSA-N 1 3 308.386 -0.891 20 0 DBADHO CN1CCN(C(=O)CCN2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000646106468 393750041 /nfs/dbraw/zinc/75/00/41/393750041.db2.gz ZUPBFHSMNTWSNM-UHFFFAOYSA-N 1 3 324.469 -0.053 20 0 DBADHO COC1CCN(CCNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000646181100 393757092 /nfs/dbraw/zinc/75/70/92/393757092.db2.gz WBGMUSOBCWZVMA-CYBMUJFWSA-N 1 3 312.414 -0.918 20 0 DBADHO C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000633038815 409750642 /nfs/dbraw/zinc/75/06/42/409750642.db2.gz AKSIOASRVZCEAQ-QWRGUYRKSA-N 1 3 308.386 -0.669 20 0 DBADHO CC[C@@H](NC)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000662401757 411635951 /nfs/dbraw/zinc/63/59/51/411635951.db2.gz ABEMIMGBOFDSSL-GFCCVEGCSA-N 1 3 314.411 -0.140 20 0 DBADHO CC[C@H](NC)C(=O)Nc1cccc(S(=O)(=O)NCC[NH3+])c1 ZINC000662401758 411636308 /nfs/dbraw/zinc/63/63/08/411636308.db2.gz ABEMIMGBOFDSSL-LBPRGKRZSA-N 1 3 314.411 -0.140 20 0 DBADHO CCN1CCN(CCCCNC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653125326 411645843 /nfs/dbraw/zinc/64/58/43/411645843.db2.gz WHOLVKVRGLFDEO-RDJZCZTQSA-N 1 3 324.469 -0.244 20 0 DBADHO COCCNCC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899086 411657037 /nfs/dbraw/zinc/65/70/37/411657037.db2.gz ATHVRWVRFSRLQC-HNNXBMFYSA-N 1 3 312.458 -0.151 20 0 DBADHO COCCNCC(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899086 411657041 /nfs/dbraw/zinc/65/70/41/411657041.db2.gz ATHVRWVRFSRLQC-HNNXBMFYSA-N 1 3 312.458 -0.151 20 0 DBADHO C[C@@H](CC[NH+](C)C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000663848953 411685918 /nfs/dbraw/zinc/68/59/18/411685918.db2.gz CMUMHYCCTMJTFT-ZDUSSCGKSA-N 1 3 315.462 -0.012 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000664330891 411698088 /nfs/dbraw/zinc/69/80/88/411698088.db2.gz NLOVUIWEJSVVKL-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N[C@H]1CC(=O)N(C)C1 ZINC000664330891 411698092 /nfs/dbraw/zinc/69/80/92/411698092.db2.gz NLOVUIWEJSVVKL-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652693478 411752774 /nfs/dbraw/zinc/75/27/74/411752774.db2.gz UTJPIVOQHVTLGP-UHFFFAOYSA-N 1 3 314.430 -0.813 20 0 DBADHO CS(=O)(=O)NCCN1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348902 411796241 /nfs/dbraw/zinc/79/62/41/411796241.db2.gz VLXFROKRRHIZDL-RWMBFGLXSA-N 1 3 305.444 -0.246 20 0 DBADHO NC[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(F)(F)F ZINC000655519842 411798088 /nfs/dbraw/zinc/79/80/88/411798088.db2.gz XYTYBRMUCZZIDN-VXNVDRBHSA-N 1 3 306.292 -0.178 20 0 DBADHO CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652621587 411806447 /nfs/dbraw/zinc/80/64/47/411806447.db2.gz OVUUBBSZXGFFBU-GFCCVEGCSA-N 1 3 310.402 -0.517 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cn1 ZINC000652620196 411807645 /nfs/dbraw/zinc/80/76/45/411807645.db2.gz CHIVLCQSXJXUOT-LLVKDONJSA-N 1 3 308.386 -0.667 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cn1 ZINC000652621338 411807716 /nfs/dbraw/zinc/80/77/16/411807716.db2.gz HMXMPPNUBUBZKG-GFCCVEGCSA-N 1 3 308.386 -0.667 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000652703875 411819584 /nfs/dbraw/zinc/81/95/84/411819584.db2.gz ANTRHGLWSZNNNP-CYBMUJFWSA-N 1 3 312.414 -0.965 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])n1 ZINC000659524234 411830433 /nfs/dbraw/zinc/83/04/33/411830433.db2.gz SLLXGKSEQMXPMI-KOLCDFICSA-N 1 3 308.386 -0.042 20 0 DBADHO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659534217 411833045 /nfs/dbraw/zinc/83/30/45/411833045.db2.gz BEKMSPDOEYXSMB-QWHCGFSZSA-N 1 3 313.446 -0.354 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)N[C@@H](CC(C)C)C(=O)NCCN(C)C ZINC000659637548 411855266 /nfs/dbraw/zinc/85/52/66/411855266.db2.gz PSOMTNPOSDIRCC-OLZOCXBDSA-N 1 3 315.462 -0.014 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000659360022 411898991 /nfs/dbraw/zinc/89/89/91/411898991.db2.gz YPSMSXHKMPBEQM-LLVKDONJSA-N 1 3 320.384 -0.290 20 0 DBADHO O=C(NCC1CC[NH+](C2CCOCC2)CC1)C(=O)NC1CNC1 ZINC000659713700 411870260 /nfs/dbraw/zinc/87/02/60/411870260.db2.gz HOZJYJHHJUOXGE-UHFFFAOYSA-N 1 3 324.425 -0.918 20 0 DBADHO CC[N@H+](C)C[C@@H](O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000653588499 411880940 /nfs/dbraw/zinc/88/09/40/411880940.db2.gz YUHBMIMQIFHKKE-HUUCEWRRSA-N 1 3 312.458 -0.287 20 0 DBADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000653588499 411880944 /nfs/dbraw/zinc/88/09/44/411880944.db2.gz YUHBMIMQIFHKKE-HUUCEWRRSA-N 1 3 312.458 -0.287 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN1CCC2(CCN(C)C2=O)CC1 ZINC000653647517 411882764 /nfs/dbraw/zinc/88/27/64/411882764.db2.gz NDDPQPVJQTZCIK-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC2(CCN(C)C2=O)CC1 ZINC000653647517 411882766 /nfs/dbraw/zinc/88/27/66/411882766.db2.gz NDDPQPVJQTZCIK-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656025109 411988966 /nfs/dbraw/zinc/98/89/66/411988966.db2.gz YJUSZDRYSBDQAQ-MELADBBJSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1CCC[NH2+]CC1 ZINC000656028886 411991255 /nfs/dbraw/zinc/99/12/55/411991255.db2.gz SVIHYACARWXQFD-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000659358898 412085255 /nfs/dbraw/zinc/08/52/55/412085255.db2.gz PKYVSEVDHVNLGP-CJNGLKHVSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000659358897 412085331 /nfs/dbraw/zinc/08/53/31/412085331.db2.gz PKYVSEVDHVNLGP-BBRMVZONSA-N 1 3 310.442 -0.146 20 0 DBADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@H+](C)C1CC1 ZINC000659451304 412088763 /nfs/dbraw/zinc/08/87/63/412088763.db2.gz OKTFZSUJFJACDK-SECBINFHSA-N 1 3 308.386 -0.077 20 0 DBADHO C[C@H](CNC(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[N@@H+](C)C1CC1 ZINC000659451304 412088766 /nfs/dbraw/zinc/08/87/66/412088766.db2.gz OKTFZSUJFJACDK-SECBINFHSA-N 1 3 308.386 -0.077 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000659447453 412088779 /nfs/dbraw/zinc/08/87/79/412088779.db2.gz DXMSVUGWXMGQIO-CHWSQXEVSA-N 1 3 313.446 -0.164 20 0 DBADHO COCC[NH2+]CCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000659527470 412091726 /nfs/dbraw/zinc/09/17/26/412091726.db2.gz LVPUOZRBDURVDZ-CQSZACIVSA-N 1 3 314.430 -0.225 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000659535764 412092042 /nfs/dbraw/zinc/09/20/42/412092042.db2.gz FQFUKQMKSOAKNY-OLZOCXBDSA-N 1 3 313.446 -0.082 20 0 DBADHO C[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@@H]1C[NH3+] ZINC000659629452 412096228 /nfs/dbraw/zinc/09/62/28/412096228.db2.gz SXSPDOMCECURCK-UWVGGRQHSA-N 1 3 308.386 -0.233 20 0 DBADHO C[NH+](C)[C@@H]1CCCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C1 ZINC000659632752 412097212 /nfs/dbraw/zinc/09/72/12/412097212.db2.gz FRYXNQVRCQFAJH-LLVKDONJSA-N 1 3 308.386 -0.124 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000659628859 412097512 /nfs/dbraw/zinc/09/75/12/412097512.db2.gz KDIOBCLLPFCRLV-OAHLLOKOSA-N 1 3 320.397 -0.074 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000659674527 412101780 /nfs/dbraw/zinc/10/17/80/412101780.db2.gz MNWQQJFSMKVHOA-UKRRQHHQSA-N 1 3 320.437 0.000 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000659682105 412103024 /nfs/dbraw/zinc/10/30/24/412103024.db2.gz RUTIQYNUOCXNCL-UHFFFAOYSA-N 1 3 308.426 -0.072 20 0 DBADHO CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659685331 412104056 /nfs/dbraw/zinc/10/40/56/412104056.db2.gz LLXRNNUXVPEYKL-MFOWVQHXSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659697416 412108098 /nfs/dbraw/zinc/10/80/98/412108098.db2.gz GOHTZUPOHOAPRI-FUJMWEONSA-N 1 3 308.426 -0.297 20 0 DBADHO C[C@H](NC(=O)C(=O)NCC12CC(C1)C[NH2+]2)C1=CCN(C)CC1 ZINC000659703101 412109144 /nfs/dbraw/zinc/10/91/44/412109144.db2.gz WYGSCDPJCNVHHG-FZWSLVFFSA-N 1 3 306.410 -0.379 20 0 DBADHO NCC12CC(C1)CN2C(=O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000659707861 412110186 /nfs/dbraw/zinc/11/01/86/412110186.db2.gz IZFJQDMPHWUBBI-UHFFFAOYSA-N 1 3 320.437 -0.073 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659717018 412112836 /nfs/dbraw/zinc/11/28/36/412112836.db2.gz DILVTELGXSZAOK-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000659728808 412116467 /nfs/dbraw/zinc/11/64/67/412116467.db2.gz ZOUZYMJWJACMSY-YRTQGLMCSA-N 1 3 320.437 -0.012 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261962 412175120 /nfs/dbraw/zinc/17/51/20/412175120.db2.gz QTEVOXOLHWXLSI-HNNXBMFYSA-N 1 3 322.453 -0.253 20 0 DBADHO CN1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@H](CN)C1 ZINC000662430473 412183343 /nfs/dbraw/zinc/18/33/43/412183343.db2.gz YBQYZZOEOSKGAH-GFCCVEGCSA-N 1 3 307.398 -0.144 20 0 DBADHO CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cn(CC[NH3+])nn1 ZINC000662528133 412187050 /nfs/dbraw/zinc/18/70/50/412187050.db2.gz VTLDNTUHXFXECC-GFCCVEGCSA-N 1 3 310.402 -0.580 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662759404 412199669 /nfs/dbraw/zinc/19/96/69/412199669.db2.gz VOKRCLNRZCOJNV-RBSFLKMASA-N 1 3 312.458 -0.260 20 0 DBADHO CN(C)CCOCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662795836 412203152 /nfs/dbraw/zinc/20/31/52/412203152.db2.gz DAQMADWJVXJGJT-ZDUSSCGKSA-N 1 3 324.429 -0.099 20 0 DBADHO OC[C@]1(O)CCCN(C/C=C\C[N@@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000660776832 412146108 /nfs/dbraw/zinc/14/61/08/412146108.db2.gz PXUASDVTKOMMRT-GTVVJKOOSA-N 1 3 314.426 -0.819 20 0 DBADHO OC[C@]1(O)CCCN(C/C=C\C[N@H+]2CCC[C@@](O)(CO)C2)C1 ZINC000660776832 412146112 /nfs/dbraw/zinc/14/61/12/412146112.db2.gz PXUASDVTKOMMRT-GTVVJKOOSA-N 1 3 314.426 -0.819 20 0 DBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000662929843 412214152 /nfs/dbraw/zinc/21/41/52/412214152.db2.gz JXJCUINHYFONPU-UYJPIKCFSA-N 1 3 306.410 -0.367 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662261963 412173653 /nfs/dbraw/zinc/17/36/53/412173653.db2.gz QTEVOXOLHWXLSI-OAHLLOKOSA-N 1 3 322.453 -0.253 20 0 DBADHO CC(C)(C)n1nnc(CCN2CCC[C@@H](C(=O)NCC[NH3+])C2)n1 ZINC000662244539 412174535 /nfs/dbraw/zinc/17/45/35/412174535.db2.gz RDSUGSFYTYSTGY-GFCCVEGCSA-N 1 3 323.445 -0.243 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC1COCCOC1 ZINC000664946082 412263308 /nfs/dbraw/zinc/26/33/08/412263308.db2.gz COEIVYOEHXSRST-ZDUSSCGKSA-N 1 3 316.446 -0.027 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NC1COCCOC1 ZINC000664946082 412263312 /nfs/dbraw/zinc/26/33/12/412263312.db2.gz COEIVYOEHXSRST-ZDUSSCGKSA-N 1 3 316.446 -0.027 20 0 DBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC4CC3(CN)C4)CC[C@H]21 ZINC000662944746 412217319 /nfs/dbraw/zinc/21/73/19/412217319.db2.gz SBVAHJIHBRHPSN-YRTQGLMCSA-N 1 3 320.437 -0.121 20 0 DBADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC4CC3(CN)C4)CC[C@H]21 ZINC000662944746 412217323 /nfs/dbraw/zinc/21/73/23/412217323.db2.gz SBVAHJIHBRHPSN-YRTQGLMCSA-N 1 3 320.437 -0.121 20 0 DBADHO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC4CC3(CN)C4)CC[C@@H]21 ZINC000662944744 412218272 /nfs/dbraw/zinc/21/82/72/412218272.db2.gz SBVAHJIHBRHPSN-CWVKQELPSA-N 1 3 320.437 -0.121 20 0 DBADHO C[N@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CC4CC3(CN)C4)CC[C@@H]21 ZINC000662944744 412218275 /nfs/dbraw/zinc/21/82/75/412218275.db2.gz SBVAHJIHBRHPSN-CWVKQELPSA-N 1 3 320.437 -0.121 20 0 DBADHO CN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[C@H](CN)C(F)(F)F ZINC000662983574 412222488 /nfs/dbraw/zinc/22/24/88/412222488.db2.gz CXVSHOURUODBKJ-PSASIEDQSA-N 1 3 320.319 -0.008 20 0 DBADHO [NH3+]CCC(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000663015819 412223416 /nfs/dbraw/zinc/22/34/16/412223416.db2.gz ZVXLVUCPALURSU-GFCCVEGCSA-N 1 3 306.414 -0.126 20 0 DBADHO C[C@@H](N)C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013649 412223534 /nfs/dbraw/zinc/22/35/34/412223534.db2.gz FGTTUGGPLXSEEW-VXGBXAGGSA-N 1 3 306.414 -0.128 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[NH2+]1 ZINC000626890637 412472366 /nfs/dbraw/zinc/47/23/66/412472366.db2.gz QUPHPIKLAWBHPV-NEPJUHHUSA-N 1 3 322.413 -0.360 20 0 DBADHO CCn1cc(CNC(=O)N(CCN(C)C)CC[NH+](C)C)nn1 ZINC000666270051 418979348 /nfs/dbraw/zinc/97/93/48/418979348.db2.gz FLHHKZATBRQMOT-UHFFFAOYSA-N 1 3 311.434 -0.067 20 0 DBADHO C[C@H]1C[C@H](NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000675816439 544540077 /nfs/dbraw/zinc/54/00/77/544540077.db2.gz CIEFWYLEADQXRU-UONOGXRCSA-N 1 3 318.487 -0.364 20 0 DBADHO C[C@H]1C[C@H](NCCN2CCN(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000675816439 544540082 /nfs/dbraw/zinc/54/00/82/544540082.db2.gz CIEFWYLEADQXRU-UONOGXRCSA-N 1 3 318.487 -0.364 20 0 DBADHO COCCCN(C)CCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000669498401 544571707 /nfs/dbraw/zinc/57/17/07/544571707.db2.gz MWXQOBJAWGCPJB-QWHCGFSZSA-N 1 3 302.419 -0.288 20 0 DBADHO CCN1CC[C@@H](NC(=O)N(CCN(C)C)CC[NH+](C)C)C1=O ZINC000670190472 544662830 /nfs/dbraw/zinc/66/28/30/544662830.db2.gz PQCNYEISRJJZAD-CYBMUJFWSA-N 1 3 313.446 -0.258 20 0 DBADHO C[C@H]1C[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1C ZINC000675816437 544853582 /nfs/dbraw/zinc/85/35/82/544853582.db2.gz CIEFWYLEADQXRU-KBPBESRZSA-N 1 3 318.487 -0.364 20 0 DBADHO C[C@H]1C[C@@H](NCCN2CCN(S(C)(=O)=O)CC2)CC[N@H+]1C ZINC000675816437 544853589 /nfs/dbraw/zinc/85/35/89/544853589.db2.gz CIEFWYLEADQXRU-KBPBESRZSA-N 1 3 318.487 -0.364 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000685307961 545029404 /nfs/dbraw/zinc/02/94/04/545029404.db2.gz ZTOUCSVJHZGQKV-VHDGCEQUSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000685307961 545029405 /nfs/dbraw/zinc/02/94/05/545029405.db2.gz ZTOUCSVJHZGQKV-VHDGCEQUSA-N 1 3 320.437 -0.108 20 0 DBADHO CC[C@@H]([NH3+])CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426543 265745599 /nfs/dbraw/zinc/74/55/99/265745599.db2.gz HAQJYPWTMQMNTA-OLZOCXBDSA-N 1 3 313.446 -0.034 20 0 DBADHO C[NH2+]C[C@@H](C)CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419582524 265800041 /nfs/dbraw/zinc/80/00/41/265800041.db2.gz KGLBIORGMZBTBM-BXUZGUMPSA-N 1 3 316.471 -0.488 20 0 DBADHO COCCN(C)CCCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380451 266041776 /nfs/dbraw/zinc/04/17/76/266041776.db2.gz BTPWUOFRYJXQQX-ZDUSSCGKSA-N 1 3 324.429 -0.099 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NCC2([NH+](C)C)CCC2)CC1=O ZINC000438532225 266081803 /nfs/dbraw/zinc/08/18/03/266081803.db2.gz PAGGIGKVVVKNGJ-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)/C=C/C[NH+](C)C)cn1 ZINC000491909281 266150410 /nfs/dbraw/zinc/15/04/10/266150410.db2.gz ZICYJAYFRWMRSE-AATRIKPKSA-N 1 3 322.413 -0.383 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N(C)CCC[NH3+])CCSC1 ZINC000515673459 266275501 /nfs/dbraw/zinc/27/55/01/266275501.db2.gz ZLNBVJRHEUGRBO-ZDUSSCGKSA-N 1 3 302.444 -0.653 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000516647997 266282677 /nfs/dbraw/zinc/28/26/77/266282677.db2.gz RKMXLZXTPOQFDZ-CYBMUJFWSA-N 1 3 324.429 -0.142 20 0 DBADHO COCCN(C)CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000520401451 266318534 /nfs/dbraw/zinc/31/85/34/266318534.db2.gz KFVWEBOQSQTHHG-GFCCVEGCSA-N 1 3 310.402 -0.662 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C1 ZINC000521858922 266330576 /nfs/dbraw/zinc/33/05/76/266330576.db2.gz BPVRFTJNICNNHC-CRWXNKLISA-N 1 3 308.426 -0.265 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471640668 277226271 /nfs/dbraw/zinc/22/62/71/277226271.db2.gz ACLHMFXUFZEIKU-CYBMUJFWSA-N 1 3 302.419 -0.416 20 0 DBADHO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343301600 288077251 /nfs/dbraw/zinc/07/72/51/288077251.db2.gz OXZTZMDODXQMCU-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343301600 288077254 /nfs/dbraw/zinc/07/72/54/288077254.db2.gz OXZTZMDODXQMCU-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000332616415 288301017 /nfs/dbraw/zinc/30/10/17/288301017.db2.gz SKTXJMGYDDCTSW-RQJABVFESA-N 1 3 308.426 -0.062 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@]1(N)C(=O)NCCCN1CC[NH2+]CC1 ZINC000372571420 281459172 /nfs/dbraw/zinc/45/91/72/281459172.db2.gz MSBHOVTXBAZSKK-VBQJREDUSA-N 1 3 324.469 -0.070 20 0 DBADHO C[NH+](C)CC1(CNC(=O)C(=O)N(CCN)CCO)CCCC1 ZINC000418800834 289085790 /nfs/dbraw/zinc/08/57/90/289085790.db2.gz JENCESVQDKFBSG-UHFFFAOYSA-N 1 3 314.430 -0.996 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000459900142 289126811 /nfs/dbraw/zinc/12/68/11/289126811.db2.gz RBSALMUQWNMIFZ-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000459900142 289126817 /nfs/dbraw/zinc/12/68/17/289126817.db2.gz RBSALMUQWNMIFZ-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1 ZINC000332676795 289289906 /nfs/dbraw/zinc/28/99/06/289289906.db2.gz OFMXYTSPKKLSSK-MCIONIFRSA-N 1 3 308.426 -0.251 20 0 DBADHO [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000332551362 295249325 /nfs/dbraw/zinc/24/93/25/295249325.db2.gz JVLCXBCAEUKUJT-BFHYXJOUSA-N 1 3 308.426 -0.073 20 0 DBADHO [NH3+][C@H]1CC[C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000237859927 303488848 /nfs/dbraw/zinc/48/88/48/303488848.db2.gz FDOTVPKYEROBQT-KGLIPLIRSA-N 1 3 308.426 -0.120 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCCCC3)CCN2C1=O ZINC000569380540 332069370 /nfs/dbraw/zinc/06/93/70/332069370.db2.gz HABUSFCJHWSYCY-NEPJUHHUSA-N 1 3 309.414 -0.399 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000572705880 332285005 /nfs/dbraw/zinc/28/50/05/332285005.db2.gz SAGVLIMTXIWXQX-ZIAGYGMSSA-N 1 3 323.441 -0.328 20 0 DBADHO N[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000583392208 332382676 /nfs/dbraw/zinc/38/26/76/332382676.db2.gz YSMFXBPEJVJOHW-BFHYXJOUSA-N 1 3 302.378 -0.673 20 0 DBADHO CN1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@H](CN)C1 ZINC000569720810 332672024 /nfs/dbraw/zinc/67/20/24/332672024.db2.gz LEBXDZVJKLNDJP-UONOGXRCSA-N 1 3 306.414 -0.478 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000569841604 332684479 /nfs/dbraw/zinc/68/44/79/332684479.db2.gz YRBDSEZNQDZXAT-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C)CC1 ZINC000569841602 332684534 /nfs/dbraw/zinc/68/45/34/332684534.db2.gz YRBDSEZNQDZXAT-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(C(=O)N1CCC[C@H]1CN1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000570199900 332724457 /nfs/dbraw/zinc/72/44/57/332724457.db2.gz DFGKKDPCQKTMQN-ZNMIVQPWSA-N 1 3 320.437 -0.249 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000580182145 332989080 /nfs/dbraw/zinc/98/90/80/332989080.db2.gz JKZAGGHEEBCHKV-MJBXVCDLSA-N 1 3 308.426 -0.264 20 0 DBADHO COCc1nc2n(n1)C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000582117270 333293345 /nfs/dbraw/zinc/29/33/45/333293345.db2.gz KIQPJPOWXKELOI-WCQYABFASA-N 1 3 309.414 -0.216 20 0 DBADHO COCc1nc2n(n1)C[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000582117270 333293346 /nfs/dbraw/zinc/29/33/46/333293346.db2.gz KIQPJPOWXKELOI-WCQYABFASA-N 1 3 309.414 -0.216 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000582480689 337096560 /nfs/dbraw/zinc/09/65/60/337096560.db2.gz NWVSXTNQODBUJV-RDBSUJKOSA-N 1 3 308.426 -0.108 20 0 DBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000582498568 337102604 /nfs/dbraw/zinc/10/26/04/337102604.db2.gz QLLAVEVUSRJDBV-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)[C@]1(CNC(=O)NC[C@H]2C[NH2+]CCN2C)CCSC1 ZINC000582536306 337106304 /nfs/dbraw/zinc/10/63/04/337106304.db2.gz SQTYGJZRRULGDX-OCCSQVGLSA-N 1 3 315.487 -0.374 20 0 DBADHO CN(C)[C@@]1(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CCSC1 ZINC000582536304 337106383 /nfs/dbraw/zinc/10/63/83/337106383.db2.gz SQTYGJZRRULGDX-GXTWGEPZSA-N 1 3 315.487 -0.374 20 0 DBADHO O=C(NCc1cccc(C[NH+]2CCCC2)c1)C(=O)NC1CNC1 ZINC000582655815 337121447 /nfs/dbraw/zinc/12/14/47/337121447.db2.gz KDOIOXKOIBZRIA-UHFFFAOYSA-N 1 3 316.405 -0.013 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000582775366 337145590 /nfs/dbraw/zinc/14/55/90/337145590.db2.gz ZDJWZFIMZXKUKZ-KBPBESRZSA-N 1 3 323.441 -0.328 20 0 DBADHO O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CN2CCN1CCC2 ZINC000583218117 337275528 /nfs/dbraw/zinc/27/55/28/337275528.db2.gz FKQVVMVFPYYBOS-HNNXBMFYSA-N 1 3 310.442 -0.661 20 0 DBADHO CSC[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000583222862 337278088 /nfs/dbraw/zinc/27/80/88/337278088.db2.gz ZENHFTBAPAVMGZ-GFCCVEGCSA-N 1 3 318.487 -0.194 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000583269953 337297426 /nfs/dbraw/zinc/29/74/26/337297426.db2.gz MIFSRBLXFBOEAF-DYEKYZERSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000583269953 337297427 /nfs/dbraw/zinc/29/74/27/337297427.db2.gz MIFSRBLXFBOEAF-DYEKYZERSA-N 1 3 308.426 -0.075 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)COC2CC[NH2+]CC2)CC1 ZINC000566296273 341553178 /nfs/dbraw/zinc/55/31/78/341553178.db2.gz AJMPTSRJUBLQBR-AWEZNQCLSA-N 1 3 312.458 -0.103 20 0 DBADHO CN(C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000567250288 341591166 /nfs/dbraw/zinc/59/11/66/341591166.db2.gz GLBCOSGCPGCWNO-AWEZNQCLSA-N 1 3 304.394 -0.158 20 0 DBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1CNCCO1 ZINC000575308742 341791552 /nfs/dbraw/zinc/79/15/52/341791552.db2.gz GCKNAYYHWDSSFF-QWHCGFSZSA-N 1 3 312.414 -0.789 20 0 DBADHO C[NH+](C)C1CCN(CCNC[C@H](O)CN2CCOCC2)CC1 ZINC000577275409 341901754 /nfs/dbraw/zinc/90/17/54/341901754.db2.gz XTCGINGVBZTNKV-INIZCTEOSA-N 1 3 314.474 -0.705 20 0 DBADHO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CN2CCN1CCC2 ZINC000343825572 520501087 /nfs/dbraw/zinc/50/10/87/520501087.db2.gz LKNFLLGSEXUQPH-CABCVRRESA-N 1 3 312.458 -0.151 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000331460077 521009723 /nfs/dbraw/zinc/00/97/23/521009723.db2.gz UTJMQXQSDWEUFN-GJZGRUSLSA-N 1 3 322.453 -0.098 20 0 DBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000331693986 521626539 /nfs/dbraw/zinc/62/65/39/521626539.db2.gz XXEGRUGWZJYPSB-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000331693992 521627452 /nfs/dbraw/zinc/62/74/52/521627452.db2.gz XXEGRUGWZJYPSB-RRFJBIMHSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000346303187 521769720 /nfs/dbraw/zinc/76/97/20/521769720.db2.gz WSQCGJSPJAOADA-YOEHRIQHSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000346303187 521769728 /nfs/dbraw/zinc/76/97/28/521769728.db2.gz WSQCGJSPJAOADA-YOEHRIQHSA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CN2CCC1CC2 ZINC000346960558 521770639 /nfs/dbraw/zinc/77/06/39/521770639.db2.gz FKRZTVLHJOODBF-CABCVRRESA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)C[C@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000332354163 521878863 /nfs/dbraw/zinc/87/88/63/521878863.db2.gz PTWLXMHTYNKROK-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO COCCn1cc(CN2CCC[C@@H](C(=O)NCC[NH3+])C2)cn1 ZINC000347007977 522084904 /nfs/dbraw/zinc/08/49/04/522084904.db2.gz DSQVYOULVBMZFQ-CQSZACIVSA-N 1 3 309.414 -0.184 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000332199147 523481476 /nfs/dbraw/zinc/48/14/76/523481476.db2.gz FGYJUJFBPYYUHN-DGAVXFQQSA-N 1 3 308.426 -0.123 20 0 DBADHO C[C@@H]1CCN(C)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000346141940 524497432 /nfs/dbraw/zinc/49/74/32/524497432.db2.gz VUXKXZPJVCLYCD-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CN(C)C)NC(=O)COCC(=O)N[C@@H](C)C[NH+](C)C ZINC000346175480 524571727 /nfs/dbraw/zinc/57/17/27/524571727.db2.gz ZETGUFKQBKQXEN-RYUDHWBXSA-N 1 3 302.419 -0.864 20 0 DBADHO C[C@@H](CO)N1CCCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000347201718 524791733 /nfs/dbraw/zinc/79/17/33/524791733.db2.gz CCDMISLRFLTOCY-GJZGRUSLSA-N 1 3 310.442 -0.709 20 0 DBADHO C[C@@H](CO)N1CCCN(C(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000347201718 524791746 /nfs/dbraw/zinc/79/17/46/524791746.db2.gz CCDMISLRFLTOCY-GJZGRUSLSA-N 1 3 310.442 -0.709 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC[NH2+]1 ZINC000332590824 525421581 /nfs/dbraw/zinc/42/15/81/525421581.db2.gz LTVXLFCZEHZFPS-RQJABVFESA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H](c2cnn(C)c2)[C@H](N)C1 ZINC000333592463 525550412 /nfs/dbraw/zinc/55/04/12/525550412.db2.gz PGJLNIGWEKDEHW-DEQVHRJGSA-N 1 3 306.414 -0.003 20 0 DBADHO C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000333018640 525779299 /nfs/dbraw/zinc/77/92/99/525779299.db2.gz CXAHBBQIHYCAJT-GDBMZVCRSA-N 1 3 324.469 -0.320 20 0 DBADHO C[C@@H](O)C[N@@H+](C)C1CCN(C(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000333018640 525779307 /nfs/dbraw/zinc/77/93/07/525779307.db2.gz CXAHBBQIHYCAJT-GDBMZVCRSA-N 1 3 324.469 -0.320 20 0 DBADHO C[C@@]1(CNC(=O)C(=O)N2CCN3CCC[C@H]3C2)CCC[NH2+]C1 ZINC000332111902 525830809 /nfs/dbraw/zinc/83/08/09/525830809.db2.gz CIRTUBVVPVOLGW-XJKSGUPXSA-N 1 3 308.426 -0.201 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)N[C@@H]3CCCC[NH2+]C3)C[C@H]2N)cn1 ZINC000333595303 527302636 /nfs/dbraw/zinc/30/26/36/527302636.db2.gz PRHLWTASNYSKES-HZSPNIEDSA-N 1 3 306.414 -0.002 20 0 DBADHO O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CN2CCN1CCC2 ZINC000344988547 527651500 /nfs/dbraw/zinc/65/15/00/527651500.db2.gz IYSQEXMCJGUWFL-JKSUJKDBSA-N 1 3 324.469 -0.271 20 0 DBADHO O=C(NCCCC[N@@H+]1CCC[C@H]1CO)[C@H]1CN2CCN1CCC2 ZINC000344988547 527651504 /nfs/dbraw/zinc/65/15/04/527651504.db2.gz IYSQEXMCJGUWFL-JKSUJKDBSA-N 1 3 324.469 -0.271 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418572523 528083444 /nfs/dbraw/zinc/08/34/44/528083444.db2.gz ZOXYWYQPEPKHMC-CYBMUJFWSA-N 1 3 313.446 -0.081 20 0 DBADHO CCN(CCC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410810241 528435243 /nfs/dbraw/zinc/43/52/43/528435243.db2.gz OOECBDNGKHRCRD-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1=O ZINC000342713964 535879144 /nfs/dbraw/zinc/87/91/44/535879144.db2.gz OHMWYFXKVFSTRK-BBRMVZONSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000633033742 545849161 /nfs/dbraw/zinc/84/91/61/545849161.db2.gz WFCOGIIAWQQCRG-TXEJJXNPSA-N 1 3 320.397 -0.654 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCCN2CCO)n1 ZINC001027889672 665733940 /nfs/dbraw/zinc/73/39/40/665733940.db2.gz DHNHVPWHQBXBED-ZDUSSCGKSA-N 1 3 309.414 -0.369 20 0 DBADHO O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCN(CCCO)CC1 ZINC000981210648 665829828 /nfs/dbraw/zinc/82/98/28/665829828.db2.gz STTMQWKYZWNMLL-LSDHHAIUSA-N 1 3 311.426 -0.234 20 0 DBADHO O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCCN(CCCO)CC1 ZINC000981210648 665829829 /nfs/dbraw/zinc/82/98/29/665829829.db2.gz STTMQWKYZWNMLL-LSDHHAIUSA-N 1 3 311.426 -0.234 20 0 DBADHO O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCN(CCCO)CC1 ZINC000981210645 665829924 /nfs/dbraw/zinc/82/99/24/665829924.db2.gz STTMQWKYZWNMLL-CABCVRRESA-N 1 3 311.426 -0.234 20 0 DBADHO O=C([C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCCN(CCCO)CC1 ZINC000981210645 665829926 /nfs/dbraw/zinc/82/99/26/665829926.db2.gz STTMQWKYZWNMLL-CABCVRRESA-N 1 3 311.426 -0.234 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC000969595037 663849573 /nfs/dbraw/zinc/84/95/73/663849573.db2.gz LMFVHZPXTLKGLC-IJLUTSLNSA-N 1 3 308.382 -0.924 20 0 DBADHO C[C@@H](O)CN1CC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000969688444 663856959 /nfs/dbraw/zinc/85/69/59/663856959.db2.gz WIOCVLBVELZJGL-OLZOCXBDSA-N 1 3 323.441 -0.124 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N2CC[C@@H](N[C@H]3CCNC3=O)C2)CC[N@@H+]1C ZINC000969722115 663859491 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/nfs/dbraw/zinc/88/31/65/674883165.db2.gz NFYBGRNMLLMRQU-QWHCGFSZSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000953906759 674929232 /nfs/dbraw/zinc/92/92/32/674929232.db2.gz LUKJAFMXGLAJLF-OCCSQVGLSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000953906759 674929234 /nfs/dbraw/zinc/92/92/34/674929234.db2.gz LUKJAFMXGLAJLF-OCCSQVGLSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@@H+]1C ZINC000992318679 674991054 /nfs/dbraw/zinc/99/10/54/674991054.db2.gz MXXRQIIJGXXTEM-ZWNOBZJWSA-N 1 3 305.382 -0.381 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)CC[N@H+]1C ZINC000992318679 674991055 /nfs/dbraw/zinc/99/10/55/674991055.db2.gz MXXRQIIJGXXTEM-ZWNOBZJWSA-N 1 3 305.382 -0.381 20 0 DBADHO C[NH+](C)CC1(O)CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000913675617 674999441 /nfs/dbraw/zinc/99/94/41/674999441.db2.gz BARWRSDFSBVRCB-KBPBESRZSA-N 1 3 311.426 -0.235 20 0 DBADHO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914284712 675030270 /nfs/dbraw/zinc/03/02/70/675030270.db2.gz JHMRBCRSMXQMBS-KGLIPLIRSA-N 1 3 319.471 -0.296 20 0 DBADHO CN(CCO)CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000925007395 671088431 /nfs/dbraw/zinc/08/84/31/671088431.db2.gz PJCKBNXZXPDLEQ-QGZVFWFLSA-N 1 3 321.421 -0.336 20 0 DBADHO CN(CCO)CCNC(=O)[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000925007395 671088439 /nfs/dbraw/zinc/08/84/39/671088439.db2.gz PJCKBNXZXPDLEQ-QGZVFWFLSA-N 1 3 321.421 -0.336 20 0 DBADHO CNC(=O)C[N@@H+]1CC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001028933612 671105076 /nfs/dbraw/zinc/10/50/76/671105076.db2.gz RDXNGOWAWXBGQW-GFCCVEGCSA-N 1 3 319.409 -0.055 20 0 DBADHO CNC(=O)C[N@H+]1CC[C@H](CNC(=O)c2cnccc2N(C)C)C1 ZINC001028933612 671105090 /nfs/dbraw/zinc/10/50/90/671105090.db2.gz RDXNGOWAWXBGQW-GFCCVEGCSA-N 1 3 319.409 -0.055 20 0 DBADHO COC(=O)Cn1cc(CNCCCN2CCC[N@H+](C)CC2)nn1 ZINC000894375729 671160049 /nfs/dbraw/zinc/16/00/49/671160049.db2.gz NDDVJMWHBUPNHF-UHFFFAOYSA-N 1 3 324.429 -0.432 20 0 DBADHO COC(=O)Cn1cc(CNCCCN2CCC[N@@H+](C)CC2)nn1 ZINC000894375729 671160063 /nfs/dbraw/zinc/16/00/63/671160063.db2.gz NDDVJMWHBUPNHF-UHFFFAOYSA-N 1 3 324.429 -0.432 20 0 DBADHO C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000237192377 671297835 /nfs/dbraw/zinc/29/78/35/671297835.db2.gz ZQXXDHJSVQQQBL-UONOGXRCSA-N 1 3 310.442 -0.146 20 0 DBADHO CN1CC[NH+](CCCCNC(=O)C2CN([C@@H]3CCOC3)C2)CC1 ZINC000895709715 671366395 /nfs/dbraw/zinc/36/63/95/671366395.db2.gz CHFIGPYXRHRJLL-MRXNPFEDSA-N 1 3 324.469 -0.149 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@H](C[NH2+][C@H]3CCNC3=O)C2)C1 ZINC000984806698 671426455 /nfs/dbraw/zinc/42/64/55/671426455.db2.gz ZWCAGOKWWMKVRQ-XUXIUFHCSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1)[C@@H]1CCNC1=O ZINC001029823889 671509491 /nfs/dbraw/zinc/50/94/91/671509491.db2.gz JLWKBGNYNGFBER-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000985794164 671527858 /nfs/dbraw/zinc/52/78/58/671527858.db2.gz ZQCBYOROGPSBGN-OCCSQVGLSA-N 1 3 308.426 -0.251 20 0 DBADHO CN([C@H]1CCNC1=O)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000985794164 671527859 /nfs/dbraw/zinc/52/78/59/671527859.db2.gz ZQCBYOROGPSBGN-OCCSQVGLSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1[C@H](NCC(N)=O)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000986302219 671584775 /nfs/dbraw/zinc/58/47/75/671584775.db2.gz YTHNTNYZYKOIKT-NWDGAFQWSA-N 1 3 322.413 -0.877 20 0 DBADHO C[C@@H]1[C@H](NCC(N)=O)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000987166695 671654116 /nfs/dbraw/zinc/65/41/16/671654116.db2.gz IFWHNFCMTVOIKS-DGCLKSJQSA-N 1 3 322.413 -0.877 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001030019488 671879503 /nfs/dbraw/zinc/87/95/03/671879503.db2.gz WPBHJRLJGMYVMG-RWMBFGLXSA-N 1 3 324.425 -0.288 20 0 DBADHO C[C@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493877 672555741 /nfs/dbraw/zinc/55/57/41/672555741.db2.gz XCGCDPNRWDCAMZ-AAEUAGOBSA-N 1 3 303.370 -0.177 20 0 DBADHO C[C@@H]1C[C@H]([NH2+]CCn2cncn2)CN1C(=O)Cc1c[nH]cn1 ZINC000989493882 672556315 /nfs/dbraw/zinc/55/63/15/672556315.db2.gz XCGCDPNRWDCAMZ-YPMHNXCESA-N 1 3 303.370 -0.177 20 0 DBADHO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CN1CCCC1 ZINC000989799225 672602342 /nfs/dbraw/zinc/60/23/42/672602342.db2.gz JZJCGUCKSGLOCM-KGLIPLIRSA-N 1 3 323.441 -0.314 20 0 DBADHO C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1NCC(=O)N1CCC1 ZINC000939055433 677573763 /nfs/dbraw/zinc/57/37/63/677573763.db2.gz YXWDTUQGQYDDHW-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH+](C)C1(CNC(=O)c2[nH]nc3c2CNCC3)CCOCC1 ZINC000446377333 677582895 /nfs/dbraw/zinc/58/28/95/677582895.db2.gz QPNXSHKHRGAHJE-UHFFFAOYSA-N 1 3 307.398 -0.104 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCN1CCNC1=O ZINC000939211641 677584584 /nfs/dbraw/zinc/58/45/84/677584584.db2.gz UGJDORJUKOWIHR-DGCLKSJQSA-N 1 3 320.397 -0.586 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC000994916294 677585624 /nfs/dbraw/zinc/58/56/24/677585624.db2.gz PPFHQQZIEKJTMW-AWEZNQCLSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000994924923 677591287 /nfs/dbraw/zinc/59/12/87/677591287.db2.gz ZWESEHCTILTKSV-CYBMUJFWSA-N 1 3 322.453 -0.003 20 0 DBADHO CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1NCC(N)=O ZINC000995823479 678206591 /nfs/dbraw/zinc/20/65/91/678206591.db2.gz MQFASVLSJGSSPR-OLZOCXBDSA-N 1 3 308.426 -0.360 20 0 DBADHO CN(C)[C@@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000996439786 678243597 /nfs/dbraw/zinc/24/35/97/678243597.db2.gz FGFOUGPORAQUKX-MLGOLLRUSA-N 1 3 322.453 -0.005 20 0 DBADHO CN(C)[C@@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC000996439786 678243600 /nfs/dbraw/zinc/24/36/00/678243600.db2.gz FGFOUGPORAQUKX-MLGOLLRUSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000996437073 678248510 /nfs/dbraw/zinc/24/85/10/678248510.db2.gz SSBMBRSPOBLREM-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000996437073 678248511 /nfs/dbraw/zinc/24/85/11/678248511.db2.gz SSBMBRSPOBLREM-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000996437079 678248523 /nfs/dbraw/zinc/24/85/23/678248523.db2.gz SSLLVPSIWPWQBK-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NC2CN(C(=O)CN3CCCC3)C2)C1 ZINC000996437079 678248527 /nfs/dbraw/zinc/24/85/27/678248527.db2.gz SSLLVPSIWPWQBK-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1)C1CC1 ZINC000996474304 678250511 /nfs/dbraw/zinc/25/05/11/678250511.db2.gz WPSJZYRSCLZVGK-AWEZNQCLSA-N 1 3 320.437 -0.251 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996475182 678250955 /nfs/dbraw/zinc/25/09/55/678250955.db2.gz LAKREILKMVYSMW-UHFFFAOYSA-N 1 3 303.366 -0.625 20 0 DBADHO C[C@@H](N[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C)C(N)=O ZINC000996519219 678259810 /nfs/dbraw/zinc/25/98/10/678259810.db2.gz JWCDDPGBCSQQFO-NEPJUHHUSA-N 1 3 308.426 -0.217 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1)C1CC1 ZINC000996681222 678278885 /nfs/dbraw/zinc/27/88/85/678278885.db2.gz YARNFGJQABIHAF-UONOGXRCSA-N 1 3 308.426 -0.204 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC([NH2+]CCO)CC1 ZINC000996815640 678305825 /nfs/dbraw/zinc/30/58/25/678305825.db2.gz CVBGOXBEMCTOAM-CXOJTPOUSA-N 1 3 309.410 -0.578 20 0 DBADHO CN1CC[C@@H]([NH2+]C2CCN(C(=O)Cc3c[nH]cn3)CC2)C1=O ZINC000997040475 678362581 /nfs/dbraw/zinc/36/25/81/678362581.db2.gz HCPZQFHDEKBANW-CYBMUJFWSA-N 1 3 305.382 -0.237 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000997237371 678421344 /nfs/dbraw/zinc/42/13/44/678421344.db2.gz XXJHUDAMWYTDGB-GFCCVEGCSA-N 1 3 319.409 -0.071 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000997237371 678421347 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CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999837668 678747241 /nfs/dbraw/zinc/74/72/41/678747241.db2.gz QPOFBGIZBXEMHP-HIFPTAJRSA-N 1 3 306.414 -0.154 20 0 DBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999837668 678747244 /nfs/dbraw/zinc/74/72/44/678747244.db2.gz QPOFBGIZBXEMHP-HIFPTAJRSA-N 1 3 306.414 -0.154 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000999861744 678758282 /nfs/dbraw/zinc/75/82/82/678758282.db2.gz BBOGLHVBXLTXFJ-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000999861744 678758286 /nfs/dbraw/zinc/75/82/86/678758286.db2.gz BBOGLHVBXLTXFJ-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NC2CN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC000999873823 678762886 /nfs/dbraw/zinc/76/28/86/678762886.db2.gz YHQOCGNLTOSNNU-ZDUSSCGKSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(N1CCC[C@@H](N[C@H]2CCNC2=O)C1)C12CC[NH+](CC1)C2 ZINC001000703694 678866917 /nfs/dbraw/zinc/86/69/17/678866917.db2.gz VKFFJQAGPFZGSR-OLZOCXBDSA-N 1 3 306.410 -0.449 20 0 DBADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001000715042 678867772 /nfs/dbraw/zinc/86/77/72/678867772.db2.gz OYYUNTYXISOSEH-CABCVRRESA-N 1 3 309.410 -0.410 20 0 DBADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001000715042 678867773 /nfs/dbraw/zinc/86/77/73/678867773.db2.gz OYYUNTYXISOSEH-CABCVRRESA-N 1 3 309.410 -0.410 20 0 DBADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001000715050 678867991 /nfs/dbraw/zinc/86/79/91/678867991.db2.gz OYYUNTYXISOSEH-HUUCEWRRSA-N 1 3 309.410 -0.410 20 0 DBADHO O=C(NCC1=CCN(CCO)CC1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001000715050 678867992 /nfs/dbraw/zinc/86/79/92/678867992.db2.gz OYYUNTYXISOSEH-HUUCEWRRSA-N 1 3 309.410 -0.410 20 0 DBADHO CN1CC[C@H](N[C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001000705292 678868006 /nfs/dbraw/zinc/86/80/06/678868006.db2.gz AYGDJYIHTKPNMK-KBPBESRZSA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001002000885 678965463 /nfs/dbraw/zinc/96/54/63/678965463.db2.gz YAEPRHKAOGNESR-DZGCQCFKSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001002000885 678965464 /nfs/dbraw/zinc/96/54/64/678965464.db2.gz YAEPRHKAOGNESR-DZGCQCFKSA-N 1 3 322.453 -0.146 20 0 DBADHO CN1CC[C@@H](N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001002127434 678970089 /nfs/dbraw/zinc/97/00/89/678970089.db2.gz RJEXWHGBNIIKBF-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CC[C@@H](N2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001002127434 678970090 /nfs/dbraw/zinc/97/00/90/678970090.db2.gz RJEXWHGBNIIKBF-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(NC1CC[NH+](CCCO)CC1)[C@@H]1CN2CCC[C@H]2CO1 ZINC001002876375 679007631 /nfs/dbraw/zinc/00/76/31/679007631.db2.gz YGFLOBLBKGOFLO-GJZGRUSLSA-N 1 3 311.426 -0.187 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001002919845 679010336 /nfs/dbraw/zinc/01/03/36/679010336.db2.gz VYDPURVTEPVCCA-OAHLLOKOSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCNC(=O)C1CC[NH+](C2CC2)CC1)CCOCCO ZINC000922117411 679015897 /nfs/dbraw/zinc/01/58/97/679015897.db2.gz RHRLQEYUCSROMY-UHFFFAOYSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003333123 679033717 /nfs/dbraw/zinc/03/37/17/679033717.db2.gz ORNXBVRBWNYJRC-RZZRIIHNSA-N 1 3 323.437 -0.189 20 0 DBADHO C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CN3CC4CC3(C4)CO2)CC1 ZINC001003332859 679033948 /nfs/dbraw/zinc/03/39/48/679033948.db2.gz ORNXBVRBWNYJRC-RXAYYZCOSA-N 1 3 323.437 -0.189 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C)N1CCCCC1 ZINC000842015394 805579976 /nfs/dbraw/zinc/57/99/76/805579976.db2.gz KLIDRHRREZUWLH-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO [NH3+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000842165351 805584458 /nfs/dbraw/zinc/58/44/58/805584458.db2.gz VARYDNVMBJDUGB-MJBXVCDLSA-N 1 3 324.425 -0.694 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000842165117 805585035 /nfs/dbraw/zinc/58/50/35/805585035.db2.gz SNJBCVNZLVRPSC-BFHYXJOUSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000842165120 805585426 /nfs/dbraw/zinc/58/54/26/805585426.db2.gz SNJBCVNZLVRPSC-MJBXVCDLSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842202606 805587151 /nfs/dbraw/zinc/58/71/51/805587151.db2.gz OUZWJNHHMQFCKK-PBHICJAKSA-N 1 3 320.437 -0.059 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844192369 805653246 /nfs/dbraw/zinc/65/32/46/805653246.db2.gz OJYIBRRZJKGOBP-HUUCEWRRSA-N 1 3 312.458 -0.103 20 0 DBADHO [NH3+]CC1(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000846332367 805751435 /nfs/dbraw/zinc/75/14/35/805751435.db2.gz YFVONBRIMHOKFL-CHWSQXEVSA-N 1 3 324.425 -0.789 20 0 DBADHO [NH3+]CC1(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000846332369 805751566 /nfs/dbraw/zinc/75/15/66/805751566.db2.gz YFVONBRIMHOKFL-OLZOCXBDSA-N 1 3 324.425 -0.789 20 0 DBADHO COC(=O)N(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000849352683 805863145 /nfs/dbraw/zinc/86/31/45/805863145.db2.gz PLUMNUSODDCSTG-GFCCVEGCSA-N 1 3 300.403 -0.186 20 0 DBADHO COC(=O)N(C)CC[N@@H+](C)C[C@H]1CCCN(C(=O)CN)C1 ZINC000849352683 805863151 /nfs/dbraw/zinc/86/31/51/805863151.db2.gz PLUMNUSODDCSTG-GFCCVEGCSA-N 1 3 300.403 -0.186 20 0 DBADHO N[C@@H]1CN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[C@H]1F ZINC000851657347 805923089 /nfs/dbraw/zinc/92/30/89/805923089.db2.gz XYKMYSQUEUSPKN-FDYHWXHSSA-N 1 3 300.378 -0.070 20 0 DBADHO N[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC[C@H]1F ZINC000851657347 805923095 /nfs/dbraw/zinc/92/30/95/805923095.db2.gz XYKMYSQUEUSPKN-FDYHWXHSSA-N 1 3 300.378 -0.070 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)C1 ZINC000851690509 805928464 /nfs/dbraw/zinc/92/84/64/805928464.db2.gz DQZHILONVGTCEZ-XJKSGUPXSA-N 1 3 308.426 -0.059 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001317120233 806091448 /nfs/dbraw/zinc/09/14/48/806091448.db2.gz RWJGVTGYIVTQAR-XQQFMLRXSA-N 1 3 324.425 -0.288 20 0 DBADHO CN(CCNCC(=O)N1CCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317587638 806195743 /nfs/dbraw/zinc/19/57/43/806195743.db2.gz QGPQQTGYFSGGGF-CQSZACIVSA-N 1 3 308.426 -0.392 20 0 DBADHO C[N@H+](CCOCCO)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317860197 806238574 /nfs/dbraw/zinc/23/85/74/806238574.db2.gz BYVSBWBPONLQBC-HNNXBMFYSA-N 1 3 313.442 -0.129 20 0 DBADHO C[N@@H+](CCOCCO)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317860197 806238581 /nfs/dbraw/zinc/23/85/81/806238581.db2.gz BYVSBWBPONLQBC-HNNXBMFYSA-N 1 3 313.442 -0.129 20 0 DBADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000861573530 806275434 /nfs/dbraw/zinc/27/54/34/806275434.db2.gz IHPFLZBLNJDZNE-CHWSQXEVSA-N 1 3 300.403 -0.534 20 0 DBADHO [NH3+]CC1(NC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCOCC1 ZINC000861573519 806275663 /nfs/dbraw/zinc/27/56/63/806275663.db2.gz HZNSNPKYWPJLRT-CHWSQXEVSA-N 1 3 312.414 -0.343 20 0 DBADHO C[C@H]([NH3+])CN(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000861569773 806275916 /nfs/dbraw/zinc/27/59/16/806275916.db2.gz DPUGDYPUEGYNPV-QWHCGFSZSA-N 1 3 313.446 -0.082 20 0 DBADHO O[C@H](C[NH2+]C[C@H]1COC2(CCOCC2)O1)CN1CCCC1 ZINC000863553626 806363596 /nfs/dbraw/zinc/36/35/96/806363596.db2.gz GPVSZNHOAWRZMF-KGLIPLIRSA-N 1 3 300.399 -0.045 20 0 DBADHO O[C@@H](C[NH2+]C[C@H]1COC2(CCOCC2)O1)CN1CCCC1 ZINC000863553625 806364212 /nfs/dbraw/zinc/36/42/12/806364212.db2.gz GPVSZNHOAWRZMF-KBPBESRZSA-N 1 3 300.399 -0.045 20 0 DBADHO CC(C)(C)OC(=O)NC[C@@H](O)C[NH2+]C[C@@H](O)CN1CCCC1 ZINC000863559444 806365754 /nfs/dbraw/zinc/36/57/54/806365754.db2.gz NSMBNVCLTFTNOR-QWHCGFSZSA-N 1 3 317.430 -0.082 20 0 DBADHO Cn1nnnc1CCN1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000866661864 806447824 /nfs/dbraw/zinc/44/78/24/806447824.db2.gz VEBUAVBCIXOUET-OLZOCXBDSA-N 1 3 321.429 -0.667 20 0 DBADHO Cn1ccc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1=O ZINC000866708845 806450639 /nfs/dbraw/zinc/45/06/39/806450639.db2.gz IBKWKWNICNUHDV-MJBXVCDLSA-N 1 3 318.377 -0.248 20 0 DBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCCN2CCOCC2)C1 ZINC000866714432 806452523 /nfs/dbraw/zinc/45/25/23/806452523.db2.gz OSWXYZMHXLSLCY-SOUVJXGZSA-N 1 3 324.425 -0.424 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868419229 806555312 /nfs/dbraw/zinc/55/53/12/806555312.db2.gz WJNLDEOSIQIFRX-KGLIPLIRSA-N 1 3 308.426 -0.108 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NC/C=C\CNC(=O)CC[NH+](C)C ZINC001321222844 806590201 /nfs/dbraw/zinc/59/02/01/806590201.db2.gz MICBVOZETJBSRI-ISALQUGTSA-N 1 3 313.402 -0.956 20 0 DBADHO CC(C)[C@@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000870997982 806616076 /nfs/dbraw/zinc/61/60/76/806616076.db2.gz BYJHATGRNRQKDQ-CRWXNKLISA-N 1 3 324.425 -0.034 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001322042240 806704232 /nfs/dbraw/zinc/70/42/32/806704232.db2.gz OPUWEVGDUIQXEZ-NWDGAFQWSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001322042240 806704235 /nfs/dbraw/zinc/70/42/35/806704235.db2.gz OPUWEVGDUIQXEZ-NWDGAFQWSA-N 1 3 305.444 -0.533 20 0 DBADHO CN(CCC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCCN1C ZINC001322650151 806764500 /nfs/dbraw/zinc/76/45/00/806764500.db2.gz AHXMGUSKKKEYTB-STQMWFEESA-N 1 3 324.425 -0.286 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876781661 806806118 /nfs/dbraw/zinc/80/61/18/806806118.db2.gz QCVDSZQEAWATMC-RYUDHWBXSA-N 1 3 304.385 -0.030 20 0 DBADHO C[NH+]1CCC(O)(CNCc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877061789 806823304 /nfs/dbraw/zinc/82/33/04/806823304.db2.gz SUCZZBFQZPSSRR-UHFFFAOYSA-N 1 3 313.423 -0.120 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2C3CCC2(C[NH3+])CC3)CC1=O ZINC000877189133 806825581 /nfs/dbraw/zinc/82/55/81/806825581.db2.gz NZTWMXVINPRWBR-FUJMWEONSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C3CCC2(C[NH3+])CC3)CC1=O ZINC000877189145 806826114 /nfs/dbraw/zinc/82/61/14/806826114.db2.gz NZTWMXVINPRWBR-VEAWUBTESA-N 1 3 308.426 -0.121 20 0 DBADHO C[NH+]1CCC(NC(=O)CN2C[C@]3(C)C(=O)NC(=O)[C@]3(C)C2)CC1 ZINC000879155610 806879868 /nfs/dbraw/zinc/87/98/68/806879868.db2.gz FXADWKHOBUMFDZ-IYBDPMFKSA-N 1 3 322.409 -0.819 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001324262100 806957436 /nfs/dbraw/zinc/95/74/36/806957436.db2.gz FPTZTEYJPIDWPG-CHWSQXEVSA-N 1 3 324.425 -0.286 20 0 DBADHO CN(C[C@@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)Cc1c[nH]cn1 ZINC001278811518 803835036 /nfs/dbraw/zinc/83/50/36/803835036.db2.gz VNPIKMSQZNXINV-AWEZNQCLSA-N 1 3 320.397 -0.663 20 0 DBADHO COCCNC(=O)C[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000702652509 803914441 /nfs/dbraw/zinc/91/44/41/803914441.db2.gz LQFQMHIUHPQBSF-QGZVFWFLSA-N 1 3 321.421 -0.024 20 0 DBADHO CNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001280197450 803940032 /nfs/dbraw/zinc/94/00/32/803940032.db2.gz IAXVSOATOCGMPQ-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCN1CCOCC1 ZINC000771659063 804379771 /nfs/dbraw/zinc/37/97/71/804379771.db2.gz YTRWUUWESJVJIP-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N(C)C[C@H](O)C[NH2+]CCCO ZINC001284477696 804715162 /nfs/dbraw/zinc/71/51/62/804715162.db2.gz QTGZERXIBSFPEM-ZIAGYGMSSA-N 1 3 301.431 -0.348 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000793935809 804742582 /nfs/dbraw/zinc/74/25/82/804742582.db2.gz HOJOYIOYRIZTNV-UONOGXRCSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000793935809 804742587 /nfs/dbraw/zinc/74/25/87/804742587.db2.gz HOJOYIOYRIZTNV-UONOGXRCSA-N 1 3 324.425 -0.824 20 0 DBADHO C[C@@H]([NH2+]CCOCCN(C)C(=O)[C@@H]1CCCN1C)C(N)=O ZINC001284853802 804777894 /nfs/dbraw/zinc/77/78/94/804777894.db2.gz CIEQMQIMRPKHKX-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO O=C(CN1CCCC1)N1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC000825287322 805275396 /nfs/dbraw/zinc/27/53/96/805275396.db2.gz QPGHDNPEEKZHTC-GJZGRUSLSA-N 1 3 320.437 -0.010 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000828247225 805370289 /nfs/dbraw/zinc/37/02/89/805370289.db2.gz MWEXASSLNYQLCA-SWLSCSKDSA-N 1 3 314.405 -0.253 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN(C)CCOCCO ZINC000829444929 805395012 /nfs/dbraw/zinc/39/50/12/805395012.db2.gz PFVFSRKSYWKVTR-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN(C)CCOCCO ZINC000829444929 805395021 /nfs/dbraw/zinc/39/50/21/805395021.db2.gz PFVFSRKSYWKVTR-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO O=C(NC[C@@H]1CCCN(CCn2cnnn2)C1)[C@H]1CCC[NH2+]1 ZINC000883424639 807013765 /nfs/dbraw/zinc/01/37/65/807013765.db2.gz YUBWNTVFTQEHIL-QWHCGFSZSA-N 1 3 307.402 -0.747 20 0 DBADHO CO[C@@H](CN)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000884206135 807040507 /nfs/dbraw/zinc/04/05/07/807040507.db2.gz NIILPJSOUXHOBS-KKUMJFAQSA-N 1 3 312.458 -0.023 20 0 DBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000884560338 807056523 /nfs/dbraw/zinc/05/65/23/807056523.db2.gz VARYDNVMBJDUGB-MCIONIFRSA-N 1 3 324.425 -0.694 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000884587422 807058790 /nfs/dbraw/zinc/05/87/90/807058790.db2.gz ILUSZMVIWOBDLT-CHWSQXEVSA-N 1 3 314.430 -0.876 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000884631594 807061502 /nfs/dbraw/zinc/06/15/02/807061502.db2.gz PKNIIWIMACFSLC-ILXRZTDVSA-N 1 3 320.437 -0.060 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000884811741 807078596 /nfs/dbraw/zinc/07/85/96/807078596.db2.gz HKFQAZRWUKYABM-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN([C@H]2CCC(=O)NC2=O)CC1 ZINC001327144954 807244444 /nfs/dbraw/zinc/24/44/44/807244444.db2.gz BDJHFDFPCXKXOB-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2(C)C[C@@H](O)CN2C)C1 ZINC000900015719 807280875 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20 0 DBADHO CCN1CCN(CCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900686242 807320297 /nfs/dbraw/zinc/32/02/97/807320297.db2.gz LMIMLBRXOLOKLY-MRXNPFEDSA-N 1 3 312.458 -0.413 20 0 DBADHO CCN1CCN(CCNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000900686242 807320304 /nfs/dbraw/zinc/32/03/04/807320304.db2.gz LMIMLBRXOLOKLY-MRXNPFEDSA-N 1 3 312.458 -0.413 20 0 DBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)CN1CCCC1=O ZINC001327771400 807334693 /nfs/dbraw/zinc/33/46/93/807334693.db2.gz CNASYMNDWLZMDV-OLZOCXBDSA-N 1 3 311.430 -0.432 20 0 DBADHO COCCOC[C@H](O)CNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC001327979363 807364088 /nfs/dbraw/zinc/36/40/88/807364088.db2.gz VXZGUWZOVBLRMB-OWCLPIDISA-N 1 3 316.442 -0.022 20 0 DBADHO [NH3+][C@@H]1CC[C@H](CN2CCN(C(=O)CN3C(=O)CCC3=O)CC2)C1 ZINC000903455351 807388875 /nfs/dbraw/zinc/38/88/75/807388875.db2.gz VJUQJSMQPMIKNN-QWHCGFSZSA-N 1 3 322.409 -0.593 20 0 DBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(CC(=O)N1CCOCC1)C2 ZINC000903490641 807390986 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323.393 -0.343 20 0 DBADHO CN(C)S(=O)(=O)N1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903880583 807419574 /nfs/dbraw/zinc/41/95/74/807419574.db2.gz UUKIXHDSCSZUHY-AGUYFDCRSA-N 1 3 316.471 -0.059 20 0 DBADHO O[C@@H]1C[C@H]2CN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CCN2C1 ZINC000903932852 807422055 /nfs/dbraw/zinc/42/20/55/807422055.db2.gz WPHZUYUGBPRBJZ-VNHYZAJKSA-N 1 3 306.414 -0.547 20 0 DBADHO NC(=O)[C@@H]1CCCN(CCC[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC000905084060 807445089 /nfs/dbraw/zinc/44/50/89/807445089.db2.gz RZZWYRKJNKNEGX-ZIAGYGMSSA-N 1 3 313.442 -0.171 20 0 DBADHO CN(C)C(=O)CC[NH+]1CCC(NC[C@@H](O)C2(O)CCC2)CC1 ZINC000905107413 807446569 /nfs/dbraw/zinc/44/65/69/807446569.db2.gz YILKTBUJWRULGY-CQSZACIVSA-N 1 3 313.442 -0.205 20 0 DBADHO CN1CCN(CC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1(C)C ZINC000905248461 807450039 /nfs/dbraw/zinc/45/00/39/807450039.db2.gz UGMJVLHNABBBSQ-GOEBONIOSA-N 1 3 315.458 -0.496 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC[C@H](O)C[C@@]2(O)CCOC2)CCCO1 ZINC000905230630 807450061 /nfs/dbraw/zinc/45/00/61/807450061.db2.gz GWIRDHFZLMLLHV-OAGGEKHMSA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC[C@H](O)C[C@@]2(O)CCOC2)CCCO1 ZINC000905230630 807450064 /nfs/dbraw/zinc/45/00/64/807450064.db2.gz GWIRDHFZLMLLHV-OAGGEKHMSA-N 1 3 316.442 -0.021 20 0 DBADHO CN1CCN(CC[NH2+]C[C@H](O)C2(O)CCOCC2)CC1(C)C ZINC000905248326 807450354 /nfs/dbraw/zinc/45/03/54/807450354.db2.gz SWDLHWMBZFLXQL-AWEZNQCLSA-N 1 3 315.458 -0.496 20 0 DBADHO CN(CCOCC[NH3+])C(=O)NCCCCN1CCN(C)CC1 ZINC001329054813 807511963 /nfs/dbraw/zinc/51/19/63/807511963.db2.gz MWHXACFDEAZYIO-UHFFFAOYSA-N 1 3 315.462 -0.369 20 0 DBADHO CN1C[C@@H]2CCCN(C(=O)C(=O)N3CC[C@H](C[NH+](C)C)C3)[C@@H]2C1 ZINC001329178776 807534464 /nfs/dbraw/zinc/53/44/64/807534464.db2.gz VJUUPEVGHHZZNM-QLFBSQMISA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000908201946 807579472 /nfs/dbraw/zinc/57/94/72/807579472.db2.gz NNAWHPYFTRWVMT-DZKIICNBSA-N 1 3 311.426 -0.499 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)C1 ZINC000908201946 807579477 /nfs/dbraw/zinc/57/94/77/807579477.db2.gz NNAWHPYFTRWVMT-DZKIICNBSA-N 1 3 311.426 -0.499 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC000908200990 807580263 /nfs/dbraw/zinc/58/02/63/807580263.db2.gz KUVZDEHXNCERJL-JKSUJKDBSA-N 1 3 323.437 -0.235 20 0 DBADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923303399 807657814 /nfs/dbraw/zinc/65/78/14/807657814.db2.gz LIWPPNZHPBZOIB-STQMWFEESA-N 1 3 317.455 -0.374 20 0 DBADHO O=C1CNCCN1[C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923332064 807659868 /nfs/dbraw/zinc/65/98/68/807659868.db2.gz GQHZZUXNOVAWCM-KGLIPLIRSA-N 1 3 308.426 -0.739 20 0 DBADHO CSC[C@H](O)CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000923399420 807664108 /nfs/dbraw/zinc/66/41/08/807664108.db2.gz PSHLYDRVIOHXGK-UPJWGTAASA-N 1 3 315.439 -0.033 20 0 DBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(CCO[C@H]2CCOC2)C1 ZINC000923414622 807666130 /nfs/dbraw/zinc/66/61/30/807666130.db2.gz MOLNBYLZQWJHPB-ZOBORPQBSA-N 1 3 311.382 -0.341 20 0 DBADHO CC(C)OC[C@@H](O)CN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413026 807666436 /nfs/dbraw/zinc/66/64/36/807666436.db2.gz CIWGCFHEIVXGHP-RQJABVFESA-N 1 3 313.398 -0.361 20 0 DBADHO CCOC(=O)N1CCN(C(=O)CN2CC[C@@H](CC[NH3+])C2)CC1 ZINC000923484233 807674201 /nfs/dbraw/zinc/67/42/01/807674201.db2.gz IKAQYOIBUAHIJE-CYBMUJFWSA-N 1 3 312.414 -0.042 20 0 DBADHO COCCCS(=O)(=O)NCCN1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499897 807674689 /nfs/dbraw/zinc/67/46/89/807674689.db2.gz VAOYNXMHZZDDQG-CHWSQXEVSA-N 1 3 307.460 -0.141 20 0 DBADHO [NH3+]CC[C@@H]1CCN(CC(=O)N2CCN(C(=O)C3CC3)CC2)C1 ZINC000923485793 807674726 /nfs/dbraw/zinc/67/47/26/807674726.db2.gz MARUUSNEOJSIMQ-CYBMUJFWSA-N 1 3 308.426 -0.262 20 0 DBADHO C[C@H](CNS(=O)(=O)N1CC[NH2+]CC1)N1CCC[C@H](C)C1 ZINC000923589581 807682701 /nfs/dbraw/zinc/68/27/01/807682701.db2.gz HLGLKTRAUKETDW-QWHCGFSZSA-N 1 3 304.460 -0.154 20 0 DBADHO CN1CCC[C@H]1[C@@H]1CCCN1S(=O)(=O)N1CC[NH2+]CC1 ZINC000923609875 807687310 /nfs/dbraw/zinc/68/73/10/807687310.db2.gz JPJCCJXEAMSZHR-STQMWFEESA-N 1 3 302.444 -0.305 20 0 DBADHO O=S(=O)(C1CNC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000923628722 807692633 /nfs/dbraw/zinc/69/26/33/807692633.db2.gz UZVRRBBTGQPUKE-UHFFFAOYSA-N 1 3 317.455 -0.135 20 0 DBADHO [NH3+][C@@H]1CN(S(=O)(=O)N2CCNCC2)C[C@H]1c1ccccc1 ZINC000923640423 807695344 /nfs/dbraw/zinc/69/53/44/807695344.db2.gz ZKKBKEBXZWOPBN-UONOGXRCSA-N 1 3 310.423 -0.437 20 0 DBADHO O=S(=O)(NCc1cc(O[C@H]2CC[NH2+]C2)ccn1)C1CNC1 ZINC000923650684 807696105 /nfs/dbraw/zinc/69/61/05/807696105.db2.gz QSXOLKSTLVEQGC-LBPRGKRZSA-N 1 3 312.395 -0.787 20 0 DBADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(S(=O)(=O)C3CNC3)C2)C1 ZINC000923652087 807696257 /nfs/dbraw/zinc/69/62/57/807696257.db2.gz IBCBCPQIJWGCNA-DMDPSCGWSA-N 1 3 303.428 -0.494 20 0 DBADHO O=S(=O)(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCNCC1 ZINC000923659697 807698196 /nfs/dbraw/zinc/69/81/96/807698196.db2.gz LFUKOKHLSOPNKZ-UONOGXRCSA-N 1 3 310.423 -0.518 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CC[N@@H+]4C)C3)C[C@@H]21 ZINC001330542682 807731188 /nfs/dbraw/zinc/73/11/88/807731188.db2.gz XCFVHEVYXSSYDC-YJNKXOJESA-N 1 3 320.437 -0.299 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)C[C@@H]21 ZINC001330542682 807731193 /nfs/dbraw/zinc/73/11/93/807731193.db2.gz XCFVHEVYXSSYDC-YJNKXOJESA-N 1 3 320.437 -0.299 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926360540 807765274 /nfs/dbraw/zinc/76/52/74/807765274.db2.gz DFBHUCKUCAHMRL-HNNXBMFYSA-N 1 3 314.430 -0.903 20 0 DBADHO CCOCCN[C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001331772936 807829646 /nfs/dbraw/zinc/82/96/46/807829646.db2.gz ANKIOTLVFRIWGS-IHRRRGAJSA-N 1 3 301.431 -0.180 20 0 DBADHO CCOCCN[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001331772936 807829655 /nfs/dbraw/zinc/82/96/55/807829655.db2.gz ANKIOTLVFRIWGS-IHRRRGAJSA-N 1 3 301.431 -0.180 20 0 DBADHO CN(CCNC(=O)C(=O)N1CCC12CC[NH+](C)CC2)C1CC1 ZINC000929711517 807845843 /nfs/dbraw/zinc/84/58/43/807845843.db2.gz IFEGEOWZXUGYQL-UHFFFAOYSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001333543609 808074056 /nfs/dbraw/zinc/07/40/56/808074056.db2.gz RYGYETUQEREIRX-YPMHNXCESA-N 1 3 312.414 -0.791 20 0 DBADHO [NH3+]C[C@@H](NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1)C1CC1 ZINC001333542721 808074244 /nfs/dbraw/zinc/07/42/44/808074244.db2.gz LYCOPTOBNRRMHC-ZIAGYGMSSA-N 1 3 324.425 -0.791 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@H]4CC[C@]43C[NH3+])C[C@@H]21 ZINC001334787870 808201345 /nfs/dbraw/zinc/20/13/45/808201345.db2.gz KZBOKASDFFSJAQ-FHIRATQRSA-N 1 3 320.437 -0.121 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001335169331 808247456 /nfs/dbraw/zinc/24/74/56/808247456.db2.gz NQYGNBSOQUZXPR-AULYBMBSSA-N 1 3 312.414 -0.933 20 0 DBADHO CCN(CC[NH3+])C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001335257388 808267626 /nfs/dbraw/zinc/26/76/26/808267626.db2.gz XKGGOINAHFQKBW-CYBMUJFWSA-N 1 3 312.414 -0.837 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@]34CC[NH2+]C4)C[C@@H]21 ZINC001335302930 808276187 /nfs/dbraw/zinc/27/61/87/808276187.db2.gz DSFOYSGZBQVWON-DVOMOZLQSA-N 1 3 306.410 -0.497 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[C@@]43C[NH3+])C[C@@H]21 ZINC001336133157 808345516 /nfs/dbraw/zinc/34/55/16/808345516.db2.gz FKKWBQVJCFHIQP-NFFDBFGFSA-N 1 3 306.410 -0.511 20 0 DBADHO COCCN(C)CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC001336720932 808412945 /nfs/dbraw/zinc/41/29/45/808412945.db2.gz IGGSPCCLDNBVDI-NRFANRHFSA-N 1 3 319.471 -0.428 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccccn1 ZINC001338063918 808514252 /nfs/dbraw/zinc/51/42/52/808514252.db2.gz NPZIOTQXIVEFON-UHFFFAOYSA-N 1 3 307.398 -0.028 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC001338449472 808543793 /nfs/dbraw/zinc/54/37/93/808543793.db2.gz LARRECLTFZAOQY-HNNXBMFYSA-N 1 3 315.458 -0.230 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)CC1 ZINC001340239598 808629398 /nfs/dbraw/zinc/62/93/98/808629398.db2.gz ADDIZDBNJPWFOJ-WBVHZDCISA-N 1 3 324.469 -0.244 20 0 DBADHO [NH3+]CCNCC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001340270265 808631351 /nfs/dbraw/zinc/63/13/51/808631351.db2.gz RKJZXFQAJXDMJP-MRXNPFEDSA-N 1 3 320.437 -0.058 20 0 DBADHO CN1CCN(C)CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC001341512089 808687978 /nfs/dbraw/zinc/68/79/78/808687978.db2.gz PQJFYDKKZGTZRR-CYBMUJFWSA-N 1 3 300.472 -0.213 20 0 DBADHO CN(C(=O)[C@H]1CCCN1C)C1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000953899383 809121888 /nfs/dbraw/zinc/12/18/88/809121888.db2.gz BEUWSJIDDIHFCF-CQSZACIVSA-N 1 3 320.437 -0.154 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954318411 809213299 /nfs/dbraw/zinc/21/32/99/809213299.db2.gz SSCFNWLUUNJAPD-OCCSQVGLSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954318411 809213305 /nfs/dbraw/zinc/21/33/05/809213305.db2.gz SSCFNWLUUNJAPD-OCCSQVGLSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954319073 809214328 /nfs/dbraw/zinc/21/43/28/809214328.db2.gz GIJZNGVRPPYHBR-NSHDSACASA-N 1 3 305.382 -0.427 20 0 DBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000954319073 809214330 /nfs/dbraw/zinc/21/43/30/809214330.db2.gz GIJZNGVRPPYHBR-NSHDSACASA-N 1 3 305.382 -0.427 20 0 DBADHO CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954320258 809214743 /nfs/dbraw/zinc/21/47/43/809214743.db2.gz NNCOHQWKLOUVNL-ZDUSSCGKSA-N 1 3 308.426 -0.297 20 0 DBADHO CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC000954320258 809214748 /nfs/dbraw/zinc/21/47/48/809214748.db2.gz NNCOHQWKLOUVNL-ZDUSSCGKSA-N 1 3 308.426 -0.297 20 0 DBADHO CN(C(=O)C12CC[NH+](CC1)C2)C1CN(C(=O)[C@@H]2CCCN2C)C1 ZINC000954841047 809300815 /nfs/dbraw/zinc/30/08/15/809300815.db2.gz CUZVFORCYXMHSV-AWEZNQCLSA-N 1 3 320.437 -0.154 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000955443061 809415862 /nfs/dbraw/zinc/41/58/62/809415862.db2.gz AQHLSQPKOYYWRM-GFCCVEGCSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000955443061 809415866 /nfs/dbraw/zinc/41/58/66/809415866.db2.gz AQHLSQPKOYYWRM-GFCCVEGCSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000955444033 809417175 /nfs/dbraw/zinc/41/71/75/809417175.db2.gz GCXQQVVBXSDRQL-NSHDSACASA-N 1 3 305.382 -0.427 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000955444033 809417181 /nfs/dbraw/zinc/41/71/81/809417181.db2.gz GCXQQVVBXSDRQL-NSHDSACASA-N 1 3 305.382 -0.427 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001039172695 815296641 /nfs/dbraw/zinc/29/66/41/815296641.db2.gz BUNFFERSTXDFPW-LSDHHAIUSA-N 1 3 322.453 -0.016 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC([C@H]3CCN(CC(N)=O)C3)CC2)C1 ZINC001039172695 815296645 /nfs/dbraw/zinc/29/66/45/815296645.db2.gz BUNFFERSTXDFPW-LSDHHAIUSA-N 1 3 322.453 -0.016 20 0 DBADHO O=C(NC[C@@H]1CN(CCO)C[C@H]1O)C12CCC[NH+](CCC1)C2 ZINC000958174459 809794253 /nfs/dbraw/zinc/79/42/53/809794253.db2.gz DLUOJYVVTXALCZ-ZIAGYGMSSA-N 1 3 311.426 -0.736 20 0 DBADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@@H]2O)cc1 ZINC000958481187 809928760 /nfs/dbraw/zinc/92/87/60/809928760.db2.gz NQFJDPRMGAUPOQ-CVEARBPZSA-N 1 3 321.421 -0.237 20 0 DBADHO C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CN(CCO)C[C@@H]2O)cc1 ZINC000958481188 809929263 /nfs/dbraw/zinc/92/92/63/809929263.db2.gz NQFJDPRMGAUPOQ-HOTGVXAUSA-N 1 3 321.421 -0.237 20 0 DBADHO C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CN(CCO)C[C@H]2O)cc1 ZINC000958481189 809929420 /nfs/dbraw/zinc/92/94/20/809929420.db2.gz NQFJDPRMGAUPOQ-HZPDHXFCSA-N 1 3 321.421 -0.237 20 0 DBADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1C[N@H+](CCO)C[C@H]1O ZINC000958729277 810014891 /nfs/dbraw/zinc/01/48/91/810014891.db2.gz UKPCYOCAHQQHHS-GDBMZVCRSA-N 1 3 321.421 -0.237 20 0 DBADHO CN(C)Cc1ccccc1C(=O)NC[C@@H]1C[N@@H+](CCO)C[C@H]1O ZINC000958729277 810014898 /nfs/dbraw/zinc/01/48/98/810014898.db2.gz UKPCYOCAHQQHHS-GDBMZVCRSA-N 1 3 321.421 -0.237 20 0 DBADHO O=C(N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)C12CC[NH+](CC1)C2 ZINC000962299637 810500994 /nfs/dbraw/zinc/50/09/94/810500994.db2.gz SBFBOONSRQJWLD-WDNDVIMCSA-N 1 3 316.409 -0.580 20 0 DBADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000967978408 811329780 /nfs/dbraw/zinc/32/97/80/811329780.db2.gz LAIRJOADHRARPD-LBPRGKRZSA-N 1 3 319.409 -0.037 20 0 DBADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC000967978408 811329791 /nfs/dbraw/zinc/32/97/91/811329791.db2.gz LAIRJOADHRARPD-LBPRGKRZSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCC(=O)NC3=O)C2)CCC1 ZINC000968907715 811512067 /nfs/dbraw/zinc/51/20/67/811512067.db2.gz RXLKXYFOEFJOFQ-VXGBXAGGSA-N 1 3 322.409 -0.534 20 0 DBADHO CC(C)[C@@H](C(=O)N1CC[C@@H](N[C@@H]2CCN(C)C2=O)C1)[NH+](C)C ZINC000968990196 811528215 /nfs/dbraw/zinc/52/82/15/811528215.db2.gz XKPDQSJHGQDBDA-MCIONIFRSA-N 1 3 310.442 -0.006 20 0 DBADHO C[C@H](N[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1)C(N)=O ZINC000969066325 811540734 /nfs/dbraw/zinc/54/07/34/811540734.db2.gz SBRJGRXEIWAMLR-QWHCGFSZSA-N 1 3 308.426 -0.073 20 0 DBADHO O=C(N1CC[C@@H](N[C@@H]2CCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000969066359 811540978 /nfs/dbraw/zinc/54/09/78/811540978.db2.gz TYDXYBHZBAKCKZ-ZIAGYGMSSA-N 1 3 320.437 -0.059 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001004451044 811981689 /nfs/dbraw/zinc/98/16/89/811981689.db2.gz YPYIXLUIALFAIZ-RISCZKNCSA-N 1 3 319.409 -0.276 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001004451044 811981693 /nfs/dbraw/zinc/98/16/93/811981693.db2.gz YPYIXLUIALFAIZ-RISCZKNCSA-N 1 3 319.409 -0.276 20 0 DBADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006116148 812161328 /nfs/dbraw/zinc/16/13/28/812161328.db2.gz AFLAJQHVAPXMPK-VXGBXAGGSA-N 1 3 319.409 -0.133 20 0 DBADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001006116148 812161335 /nfs/dbraw/zinc/16/13/35/812161335.db2.gz AFLAJQHVAPXMPK-VXGBXAGGSA-N 1 3 319.409 -0.133 20 0 DBADHO CN1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001014963049 813340797 /nfs/dbraw/zinc/34/07/97/813340797.db2.gz MZYBJYANHKCMJL-KBPBESRZSA-N 1 3 306.414 -0.047 20 0 DBADHO CN1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001014963049 813340805 /nfs/dbraw/zinc/34/08/05/813340805.db2.gz MZYBJYANHKCMJL-KBPBESRZSA-N 1 3 306.414 -0.047 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCN(CCCO)C2)cn1 ZINC001015827952 813533198 /nfs/dbraw/zinc/53/31/98/813533198.db2.gz WWTIMGBVAAXHRM-CQSZACIVSA-N 1 3 309.414 -0.369 20 0 DBADHO C[C@@H](O)CN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001015826912 813533877 /nfs/dbraw/zinc/53/38/77/813533877.db2.gz LCYGHBDEZYHSEB-OCCSQVGLSA-N 1 3 309.414 -0.370 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+]CCN3CCNC3=O)C2)CCC1 ZINC001018963337 814031785 /nfs/dbraw/zinc/03/17/85/814031785.db2.gz KGGGPXKELMCXDX-ZDUSSCGKSA-N 1 3 323.441 -0.314 20 0 DBADHO CN(CC(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1)C1CCC1 ZINC001018971453 814033807 /nfs/dbraw/zinc/03/38/07/814033807.db2.gz BBVIGFNMVXKFNJ-GXTWGEPZSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001019381131 814146284 /nfs/dbraw/zinc/14/62/84/814146284.db2.gz YUYGPTQABZINHL-KBPBESRZSA-N 1 3 323.441 -0.314 20 0 DBADHO CC1(C)CCN(CC(=O)N2CC[C@H]([NH2+][C@@H]3CCNC3=O)C2)C1 ZINC001019386879 814146501 /nfs/dbraw/zinc/14/65/01/814146501.db2.gz WVDISDMFTAOHOQ-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001019381650 814146676 /nfs/dbraw/zinc/14/66/76/814146676.db2.gz OHYASWUMRWJGFQ-KBPBESRZSA-N 1 3 306.414 -0.047 20 0 DBADHO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H](NCC(N)=O)C2)C1 ZINC001019386449 814147381 /nfs/dbraw/zinc/14/73/81/814147381.db2.gz OMTCQXITPBXOPI-XHDPSFHLSA-N 1 3 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C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001086478078 825273704 /nfs/dbraw/zinc/27/37/04/825273704.db2.gz HGHSETAAHFULLK-BHPKHCPMSA-N 1 3 320.441 -0.003 20 0 DBADHO NC(=O)CN[C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001088414743 825420641 /nfs/dbraw/zinc/42/06/41/825420641.db2.gz PLWLEHLNAZMAIV-CYBMUJFWSA-N 1 3 308.426 -0.072 20 0 DBADHO C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001115144278 828792779 /nfs/dbraw/zinc/79/27/79/828792779.db2.gz ULWDZZONSVARFT-COMQUAJESA-N 1 3 308.426 -0.347 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001115160356 828795281 /nfs/dbraw/zinc/79/52/81/828795281.db2.gz TWNICJZPULYUOA-KNCOVGOOSA-N 1 3 322.453 -0.005 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCN(C)C3=O)C[C@H]21 ZINC001115160356 828795286 /nfs/dbraw/zinc/79/52/86/828795286.db2.gz TWNICJZPULYUOA-KNCOVGOOSA-N 1 3 322.453 -0.005 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC001115162193 828795703 /nfs/dbraw/zinc/79/57/03/828795703.db2.gz STOQVEXYBILUDQ-NHAGDIPZSA-N 1 3 306.414 -0.334 20 0 DBADHO CCCN(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC001115162193 828795707 /nfs/dbraw/zinc/79/57/07/828795707.db2.gz STOQVEXYBILUDQ-NHAGDIPZSA-N 1 3 306.414 -0.334 20 0 DBADHO CCN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090272561 825617538 /nfs/dbraw/zinc/61/75/38/825617538.db2.gz PYFRZNVUWQEOFW-OCCSQVGLSA-N 1 3 309.414 -0.370 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001115291352 828822871 /nfs/dbraw/zinc/82/28/71/828822871.db2.gz DURDLVJJRRTDPP-CTASWTNQSA-N 1 3 320.437 -0.203 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115304894 828826878 /nfs/dbraw/zinc/82/68/78/828826878.db2.gz WXIRIRYQGRVIGF-OZTPJHRESA-N 1 3 322.409 -0.822 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115304894 828826888 /nfs/dbraw/zinc/82/68/88/828826888.db2.gz WXIRIRYQGRVIGF-OZTPJHRESA-N 1 3 322.409 -0.822 20 0 DBADHO O=C(NCC1CC([NH2+]CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001091151127 825925866 /nfs/dbraw/zinc/92/58/66/825925866.db2.gz NCXMEAUYENSUFO-IXUJDMMCSA-N 1 3 309.410 -0.674 20 0 DBADHO CN(C(=O)[C@]12C[NH2+]C[C@H]1CNCC2)[C@H]1CCC2(C1)OCCO2 ZINC001161220479 832991746 /nfs/dbraw/zinc/99/17/46/832991746.db2.gz ZBJQWWDAWZPNTM-VNHYZAJKSA-N 1 3 309.410 -0.061 20 0 DBADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001161239251 832994120 /nfs/dbraw/zinc/99/41/20/832994120.db2.gz YNEYRTXFDDNJFZ-QWHCGFSZSA-N 1 3 324.425 -0.824 20 0 DBADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001161239251 832994127 /nfs/dbraw/zinc/99/41/27/832994127.db2.gz YNEYRTXFDDNJFZ-QWHCGFSZSA-N 1 3 324.425 -0.824 20 0 DBADHO CC(C)N(C(=O)[C@H]1CCS(=O)(=O)C12CNC2)[C@H]1CC[NH2+]C1 ZINC001161350908 833006976 /nfs/dbraw/zinc/00/69/76/833006976.db2.gz DRKPHVXYBWKSDK-NWDGAFQWSA-N 1 3 315.439 -0.638 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161371564 833008245 /nfs/dbraw/zinc/00/82/45/833008245.db2.gz DIEUKTYRGSUWAO-ZIAGYGMSSA-N 1 3 306.414 -0.697 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161381801 833011081 /nfs/dbraw/zinc/01/10/81/833011081.db2.gz QBBJYDQZUIQJEH-ZIAGYGMSSA-N 1 3 307.398 -0.397 20 0 DBADHO COc1ccnc(N(C(=O)[C@@H]2CNCCN2)C2CC[NH2+]CC2)c1 ZINC001161386761 833012210 /nfs/dbraw/zinc/01/22/10/833012210.db2.gz UMEHNCFIKIKOSG-AWEZNQCLSA-N 1 3 319.409 -0.263 20 0 DBADHO CNC(=O)CN1CCC[C@@]2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001274073821 833022730 /nfs/dbraw/zinc/02/27/30/833022730.db2.gz PDUFNUVPYOBTNB-INIZCTEOSA-N 1 3 310.442 -0.001 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)C(N)C(F)(F)F)CC2 ZINC001161481524 833023433 /nfs/dbraw/zinc/02/34/33/833023433.db2.gz YFHUHOKMWLXRNX-FYBVGQRMSA-N 1 3 309.288 -0.370 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H]1C[C@@H](F)CCN1)CC2 ZINC001161479667 833023482 /nfs/dbraw/zinc/02/34/82/833023482.db2.gz QNTSPWALOQJLAD-UUIJZJDISA-N 1 3 313.373 -0.170 20 0 DBADHO CN1C(=O)CC[C@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@@H]21 ZINC001161484921 833024132 /nfs/dbraw/zinc/02/41/32/833024132.db2.gz YUUSGXAHVFNYBI-SRVKXCTJSA-N 1 3 314.455 -0.525 20 0 DBADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@@H](OC)[C@@H]([NH3+])C1 ZINC001161492873 833027459 /nfs/dbraw/zinc/02/74/59/833027459.db2.gz YBNDCBXJZTVXNV-SOUVJXGZSA-N 1 3 307.394 -0.024 20 0 DBADHO C[C@@H]1CN(C2CN(C(=O)[C@]34C[NH2+]C[C@H]3CNCC4)C2)C[C@H](C)O1 ZINC001161493167 833027676 /nfs/dbraw/zinc/02/76/76/833027676.db2.gz FEKMKEBYOBQONK-UMPJEAMMSA-N 1 3 322.453 -0.495 20 0 DBADHO COc1cc2c(cn1)CCN(C(=O)[C@@H]1C[NH2+]CC13CNC3)C2 ZINC001161527410 833032264 /nfs/dbraw/zinc/03/22/64/833032264.db2.gz PDEUHDIMEDZBMO-ZDUSSCGKSA-N 1 3 302.378 -0.216 20 0 DBADHO COC(=O)c1cnc2c(c1)CN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001161572237 833035819 /nfs/dbraw/zinc/03/58/19/833035819.db2.gz GUMZNGJIQVERQS-LBPRGKRZSA-N 1 3 306.366 -0.181 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098411040 826479245 /nfs/dbraw/zinc/47/92/45/826479245.db2.gz VXOPSRWETFKGDD-UHFFFAOYSA-N 1 3 315.458 -0.006 20 0 DBADHO CC[C@@H](C(=O)N1CCC([NH+](CCO)CCO)CC1)N(C)C ZINC001098480044 826490546 /nfs/dbraw/zinc/49/05/46/826490546.db2.gz NJOMEIUUOCYGBY-AWEZNQCLSA-N 1 3 301.431 -0.396 20 0 DBADHO C[NH+]1CCC(NC(=O)c2ccc(-n3cnc(CN)c3)nn2)CC1 ZINC001162298192 833087452 /nfs/dbraw/zinc/08/74/52/833087452.db2.gz BASWUIDXHVKRBE-UHFFFAOYSA-N 1 3 315.381 -0.055 20 0 DBADHO CN1CC[C@H](NC/C=C\CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001274511637 833088967 /nfs/dbraw/zinc/08/89/67/833088967.db2.gz PTNXJLKGCGLZTL-ZRMMWKCHSA-N 1 3 306.410 -0.425 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001099894437 826717658 /nfs/dbraw/zinc/71/76/58/826717658.db2.gz KZHQUDYXYVDGLN-OLZOCXBDSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CCN(CCOC)C[C@@H]1O ZINC001099894437 826717665 /nfs/dbraw/zinc/71/76/65/826717665.db2.gz KZHQUDYXYVDGLN-OLZOCXBDSA-N 1 3 301.431 -0.086 20 0 DBADHO CN(CC(=O)N[C@H]1CC[N@H+](CCCO)C[C@@H]1O)CC(C)(C)C ZINC001100013549 826771935 /nfs/dbraw/zinc/77/19/35/826771935.db2.gz OWHNANHMTDNGLH-KBPBESRZSA-N 1 3 315.458 -0.102 20 0 DBADHO CN(CC(=O)N[C@H]1CC[N@@H+](CCCO)C[C@@H]1O)CC(C)(C)C ZINC001100013549 826771940 /nfs/dbraw/zinc/77/19/40/826771940.db2.gz OWHNANHMTDNGLH-KBPBESRZSA-N 1 3 315.458 -0.102 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100067826 826817817 /nfs/dbraw/zinc/81/78/17/826817817.db2.gz YGYQJWWHURLBKU-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100067826 826817826 /nfs/dbraw/zinc/81/78/26/826817826.db2.gz YGYQJWWHURLBKU-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H](O)C1 ZINC001100067827 826819416 /nfs/dbraw/zinc/81/94/16/826819416.db2.gz YGYQJWWHURLBKU-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100067827 826819429 /nfs/dbraw/zinc/81/94/29/826819429.db2.gz YGYQJWWHURLBKU-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100073254 826822920 /nfs/dbraw/zinc/82/29/20/826822920.db2.gz AXUHPOCRNDBOSK-KBPBESRZSA-N 1 3 311.426 -0.330 20 0 DBADHO COCCN1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100076538 826829538 /nfs/dbraw/zinc/82/95/38/826829538.db2.gz MXOMRFHVIWGCJY-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO O=C(CC[NH+]1CCCCC1)N[C@H]1CCN(CCCO)C[C@@H]1O ZINC001100127787 826878876 /nfs/dbraw/zinc/87/88/76/826878876.db2.gz YVCHVKWKEMKPIF-GJZGRUSLSA-N 1 3 313.442 -0.204 20 0 DBADHO CO[C@H](C)C[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162871983 833122222 /nfs/dbraw/zinc/12/22/22/833122222.db2.gz CJNTVICTVFKJBD-ILTLLKDXSA-N 1 3 311.426 -0.020 20 0 DBADHO CC[C@H](C(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001100442348 826966230 /nfs/dbraw/zinc/96/62/30/826966230.db2.gz CIGNHRHWVLKQSL-WXRRBKDZSA-N 1 3 319.471 -0.144 20 0 DBADHO O=C(NCC1CC([NH2+]CCCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001100522789 826978974 /nfs/dbraw/zinc/97/89/74/826978974.db2.gz GOQSVIJVOPPAFZ-RDVIWEACSA-N 1 3 323.437 -0.284 20 0 DBADHO CCN(CC)CC(=O)NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001100769656 827020377 /nfs/dbraw/zinc/02/03/77/827020377.db2.gz VCIBWISZVPHWIS-WXRRBKDZSA-N 1 3 324.425 -0.382 20 0 DBADHO Cn1nncc1CNC1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100870584 827037895 /nfs/dbraw/zinc/03/78/95/827037895.db2.gz JUFZKHYNTYZZAP-UHFFFAOYSA-N 1 3 324.429 -0.622 20 0 DBADHO CCCN(C)CC(=O)NCC1CC([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001100901518 827042266 /nfs/dbraw/zinc/04/22/66/827042266.db2.gz APIOOMIGUFYQOZ-BPCQOVAHSA-N 1 3 324.425 -0.382 20 0 DBADHO COCOCCCN1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1 ZINC001274934601 833141535 /nfs/dbraw/zinc/14/15/35/833141535.db2.gz CBSPJBLTQHBSBD-GJZGRUSLSA-N 1 3 301.431 -0.056 20 0 DBADHO O=C1C[C@@H]2[NH2+]CC[C@]2(Nc2cnccc2N2CCOCC2)N1 ZINC001163248361 833142090 /nfs/dbraw/zinc/14/20/90/833142090.db2.gz HEZAKASOWRACDY-ZFWWWQNUSA-N 1 3 303.366 -0.092 20 0 DBADHO C[NH+](C)CCN1CCO[C@]2(CCCN(C[C@@H]3CCC(=O)N3)C2)C1 ZINC001275188251 833157282 /nfs/dbraw/zinc/15/72/82/833157282.db2.gz NOSGTXBAKVSZEX-DOTOQJQBSA-N 1 3 324.469 -0.007 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001102475362 827212237 /nfs/dbraw/zinc/21/22/37/827212237.db2.gz KPBVKUUTCYYUMD-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CC)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001102475362 827212244 /nfs/dbraw/zinc/21/22/44/827212244.db2.gz KPBVKUUTCYYUMD-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001102601396 827231109 /nfs/dbraw/zinc/23/11/09/827231109.db2.gz BGDDRZVLJMWOCR-MCIONIFRSA-N 1 3 310.442 -0.101 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+]([C@H]2CCNC2=O)C[C@H]1C ZINC001102601396 827231116 /nfs/dbraw/zinc/23/11/16/827231116.db2.gz BGDDRZVLJMWOCR-MCIONIFRSA-N 1 3 310.442 -0.101 20 0 DBADHO CC(C)N(C)CC(=O)NC1CC(C[NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001275330722 833170593 /nfs/dbraw/zinc/17/05/93/833170593.db2.gz GUQRRIUHHNYCPF-BPCQOVAHSA-N 1 3 324.425 -0.384 20 0 DBADHO CN1CCC[C@@H]1C(=O)NCCC1(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC001163820832 833170992 /nfs/dbraw/zinc/17/09/92/833170992.db2.gz IWDLCXPPJWCTIP-CHWSQXEVSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001103374545 827281909 /nfs/dbraw/zinc/28/19/09/827281909.db2.gz HSRHXBPFGACCIF-CHWSQXEVSA-N 1 3 310.442 -0.112 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H](C2CC2)N(C)C)C[C@H]1CC[NH2+]CC(N)=O ZINC001104291903 827338233 /nfs/dbraw/zinc/33/82/33/827338233.db2.gz ZFYNKTVVVHGXRK-UXIGCNINSA-N 1 3 310.442 -0.114 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1C ZINC001106255210 827646033 /nfs/dbraw/zinc/64/60/33/827646033.db2.gz JRADXOFDEKDZEN-CHWSQXEVSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H]([NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C)C(N)=O ZINC001106704828 827670258 /nfs/dbraw/zinc/67/02/58/827670258.db2.gz DKRNEQAXUUBAHS-NQBHXWOUSA-N 1 3 307.398 -0.100 20 0 DBADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(CCN4CCOCC4)CC3)[C@H]2C1 ZINC001275990216 833231728 /nfs/dbraw/zinc/23/17/28/833231728.db2.gz CFSRTWAVRLSZGX-GJZGRUSLSA-N 1 3 322.453 -0.539 20 0 DBADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(CCN4CCOCC4)CC3)[C@H]2C1 ZINC001275990216 833231734 /nfs/dbraw/zinc/23/17/34/833231734.db2.gz CFSRTWAVRLSZGX-GJZGRUSLSA-N 1 3 322.453 -0.539 20 0 DBADHO C[NH+](C)CCC(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001165794176 833259408 /nfs/dbraw/zinc/25/94/08/833259408.db2.gz LKJWNCKJBFMUSI-UHFFFAOYSA-N 1 3 308.386 -0.537 20 0 DBADHO C[NH+](C)CCC(=O)NCCCNCC(=O)Nc1nncs1 ZINC001165793829 833259423 /nfs/dbraw/zinc/25/94/23/833259423.db2.gz BVJYZIPWJGFLAQ-UHFFFAOYSA-N 1 3 314.415 -0.476 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)CC[NH+](C)C)no1 ZINC001165794184 833259572 /nfs/dbraw/zinc/25/95/72/833259572.db2.gz LQNLGHCMFGOOPI-UHFFFAOYSA-N 1 3 311.386 -0.031 20 0 DBADHO C[C@@H]([NH2+]CCCNC(=O)CN1CCC[C@@H]1C)C(=O)NC(N)=O ZINC001166627103 833276735 /nfs/dbraw/zinc/27/67/35/833276735.db2.gz PWEPNYZTMXYIEN-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001166644364 833277103 /nfs/dbraw/zinc/27/71/03/833277103.db2.gz APNHWJWUQFSCQY-HUUCEWRRSA-N 1 3 323.441 -0.176 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]CCN1C(=O)CCC1=O ZINC001166645787 833277298 /nfs/dbraw/zinc/27/72/98/833277298.db2.gz UJKYFDDJDUNZAF-CYBMUJFWSA-N 1 3 324.425 -0.284 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001166677536 833277584 /nfs/dbraw/zinc/27/75/84/833277584.db2.gz JNCOINSAHDYRPJ-ZDUSSCGKSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1ccon1 ZINC001166691769 833278023 /nfs/dbraw/zinc/27/80/23/833278023.db2.gz MQGSHFQRNJMJHM-RYUDHWBXSA-N 1 3 323.397 -0.093 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1ccon1 ZINC001166691769 833278027 /nfs/dbraw/zinc/27/80/27/833278027.db2.gz MQGSHFQRNJMJHM-RYUDHWBXSA-N 1 3 323.397 -0.093 20 0 DBADHO COC[C@H](O)C[NH2+]CCCNC(=O)CN1CCC(C)(C)C1 ZINC001166764932 833280700 /nfs/dbraw/zinc/28/07/00/833280700.db2.gz ONMUXKURALZADS-CYBMUJFWSA-N 1 3 301.431 -0.179 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1)N(C)C ZINC001166851832 833283908 /nfs/dbraw/zinc/28/39/08/833283908.db2.gz HYHAVNJDKMQUES-KBPBESRZSA-N 1 3 311.430 -0.320 20 0 DBADHO CS(=O)(=O)N(c1nccc(C2CC[NH2+]CC2)n1)C1CNC1 ZINC001166970614 833288443 /nfs/dbraw/zinc/28/84/43/833288443.db2.gz QXAHLJVWXCYHSM-UHFFFAOYSA-N 1 3 311.411 -0.319 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]CC(=O)Nc1cnccn1 ZINC001168755307 833328049 /nfs/dbraw/zinc/32/80/49/833328049.db2.gz MPXGRXSZGFUAEI-UHFFFAOYSA-N 1 3 322.413 -0.147 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]CCNS(=O)(=O)CC ZINC001168763080 833328374 /nfs/dbraw/zinc/32/83/74/833328374.db2.gz JMGMYCDUNKDGFF-UHFFFAOYSA-N 1 3 322.475 -0.637 20 0 DBADHO CC[NH+]1CCN(CCCNC(=O)[C@H](NC)c2cnn(C)c2)CC1 ZINC001118216517 829052105 /nfs/dbraw/zinc/05/21/05/829052105.db2.gz JIURMTJSBVGVAC-OAHLLOKOSA-N 1 3 322.457 -0.176 20 0 DBADHO CC(C)[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)N1CCN(C)CC1 ZINC001118277762 829061759 /nfs/dbraw/zinc/06/17/59/829061759.db2.gz MDZIEHXGUFMFEK-HUUCEWRRSA-N 1 3 313.490 -0.346 20 0 DBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC001118487804 829091818 /nfs/dbraw/zinc/09/18/18/829091818.db2.gz XCKKODDCJHWTLF-KGLIPLIRSA-N 1 3 324.425 -0.776 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001171770122 833374521 /nfs/dbraw/zinc/37/45/21/833374521.db2.gz MUGMMGDXXHLTMK-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO COC(=O)[C@@H](CN)C[NH2+][C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173567449 833378379 /nfs/dbraw/zinc/37/83/79/833378379.db2.gz DUQJUPQWRULEPO-XWLWVQCSSA-N 1 3 316.354 -0.935 20 0 DBADHO COCCOC[C@@H](O)CN1CCC([NH+]2CCN(C)CC2)CC1 ZINC001119260476 829243182 /nfs/dbraw/zinc/24/31/82/829243182.db2.gz ATIYZPCXRRWEOF-INIZCTEOSA-N 1 3 315.458 -0.278 20 0 DBADHO C[NH+](C)[C@@H]1CC[C@@H]2CN(C(=O)C(=O)N3CCCNCC3)C[C@@H]2C1 ZINC001120270639 829345546 /nfs/dbraw/zinc/34/55/46/829345546.db2.gz OJDFXPXRDSHMJM-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)NC2CCN([C@@H]3CCOC3)CC2)C[C@H]1[NH3+] ZINC001120436795 829371894 /nfs/dbraw/zinc/37/18/94/829371894.db2.gz YTOWTBXTBPYZEC-MRVWCRGKSA-N 1 3 324.425 -0.839 20 0 DBADHO CCN1CCN(CCC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC001120472092 829378743 /nfs/dbraw/zinc/37/87/43/829378743.db2.gz CMVVRBIWWNUPLO-JKSUJKDBSA-N 1 3 315.458 -0.494 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCCNCC(=O)Nc2cnccn2)C1 ZINC001176072580 833400070 /nfs/dbraw/zinc/40/00/70/833400070.db2.gz ZCLXZUGNHBSVHC-GFCCVEGCSA-N 1 3 320.397 -0.537 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCCNCC(=O)Nc2cnccn2)C1 ZINC001176072580 833400072 /nfs/dbraw/zinc/40/00/72/833400072.db2.gz ZCLXZUGNHBSVHC-GFCCVEGCSA-N 1 3 320.397 -0.537 20 0 DBADHO CN(C(=O)[C@@H]1CCCN(CC[NH3+])C1=O)[C@H]1CN2CCC1CC2 ZINC001122102932 829548340 /nfs/dbraw/zinc/54/83/40/829548340.db2.gz CJYRDMWEYYVJNN-KBPBESRZSA-N 1 3 308.426 -0.264 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001176986032 833445389 /nfs/dbraw/zinc/44/53/89/833445389.db2.gz CFCHGIXPGWRBSO-KGLIPLIRSA-N 1 3 301.431 -0.036 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCN1C ZINC001124835981 829793930 /nfs/dbraw/zinc/79/39/30/829793930.db2.gz DFPDKXJHCBXMDX-QWRGUYRKSA-N 1 3 313.402 -0.979 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCN1C ZINC001124835982 829794005 /nfs/dbraw/zinc/79/40/05/829794005.db2.gz DFPDKXJHCBXMDX-WDEREUQCSA-N 1 3 313.402 -0.979 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001127066045 829981489 /nfs/dbraw/zinc/98/14/89/829981489.db2.gz IDXBACRNCKSDRL-VXGBXAGGSA-N 1 3 310.398 -0.630 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001127066045 829981493 /nfs/dbraw/zinc/98/14/93/829981493.db2.gz IDXBACRNCKSDRL-VXGBXAGGSA-N 1 3 310.398 -0.630 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC1CC1 ZINC001127475623 830014303 /nfs/dbraw/zinc/01/43/03/830014303.db2.gz XKHCGSMNAGDOHQ-AWEZNQCLSA-N 1 3 308.426 -0.440 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001127481625 830014357 /nfs/dbraw/zinc/01/43/57/830014357.db2.gz VKWZCEPNPXKYFI-WFASDCNBSA-N 1 3 322.453 -0.051 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NCCN[C@H]2CCCNC2=O)n1 ZINC001127559070 830017574 /nfs/dbraw/zinc/01/75/74/830017574.db2.gz ZDUPTJPFPDSVIQ-LBPRGKRZSA-N 1 3 322.413 -0.957 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127690975 830024955 /nfs/dbraw/zinc/02/49/55/830024955.db2.gz VDUHMDVPRZYGJS-CHWSQXEVSA-N 1 3 314.430 -0.815 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127690975 830024965 /nfs/dbraw/zinc/02/49/65/830024965.db2.gz VDUHMDVPRZYGJS-CHWSQXEVSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127766362 830028887 /nfs/dbraw/zinc/02/88/87/830028887.db2.gz VLLPXBCLACWCRC-KBPBESRZSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(C(=O)CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127766362 830028892 /nfs/dbraw/zinc/02/88/92/830028892.db2.gz VLLPXBCLACWCRC-KBPBESRZSA-N 1 3 324.425 -0.824 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778448 830029877 /nfs/dbraw/zinc/02/98/77/830029877.db2.gz FGJOERSSTHJBOD-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127778448 830029884 /nfs/dbraw/zinc/02/98/84/830029884.db2.gz FGJOERSSTHJBOD-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1CC1 ZINC001127779988 830031231 /nfs/dbraw/zinc/03/12/31/830031231.db2.gz UQXYCLLEFAWFHV-KBPBESRZSA-N 1 3 324.425 -0.918 20 0 DBADHO O=C(CNCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1)NCC1CC1 ZINC001127779988 830031233 /nfs/dbraw/zinc/03/12/33/830031233.db2.gz UQXYCLLEFAWFHV-KBPBESRZSA-N 1 3 324.425 -0.918 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@H]1CCCNC1=O ZINC001128533129 830094369 /nfs/dbraw/zinc/09/43/69/830094369.db2.gz HEYQQKOWCQXGTJ-NEPJUHHUSA-N 1 3 302.394 -0.349 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001128533873 830095663 /nfs/dbraw/zinc/09/56/63/830095663.db2.gz RZWZCSSZFFGURK-STQMWFEESA-N 1 3 316.421 -0.007 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001128539271 830096216 /nfs/dbraw/zinc/09/62/16/830096216.db2.gz BOAVKCQNNSDFIL-CYBMUJFWSA-N 1 3 316.421 -0.102 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001128534179 830096327 /nfs/dbraw/zinc/09/63/27/830096327.db2.gz XISOJKIAQRNTMF-CHWSQXEVSA-N 1 3 316.421 -0.007 20 0 DBADHO C[NH+](C)[C@@H](C(=O)NCCNCC(=O)NCC1CCC1)C1CC1 ZINC001129435301 830180760 /nfs/dbraw/zinc/18/07/60/830180760.db2.gz DZKGVRXCNGHQIM-OAHLLOKOSA-N 1 3 310.442 -0.051 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435222 830181055 /nfs/dbraw/zinc/18/10/55/830181055.db2.gz CQOQRXIDEJFTDF-AWEZNQCLSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1)C1CC1 ZINC001129435059 830181156 /nfs/dbraw/zinc/18/11/56/830181156.db2.gz AEKABEFFEQVULP-HNNXBMFYSA-N 1 3 306.410 -0.069 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C1CC1)N(C)C ZINC001129443687 830181358 /nfs/dbraw/zinc/18/13/58/830181358.db2.gz MGILIBHOBJVZJN-KBPBESRZSA-N 1 3 317.430 -0.944 20 0 DBADHO CN(C)[C@@H](C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1)C1CC1 ZINC001129444854 830181708 /nfs/dbraw/zinc/18/17/08/830181708.db2.gz ZJMSLSSOIBSYCQ-IUODEOHRSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)[C@H](C(=O)NCCNCC(=O)NCC(F)(F)F)C1CC1 ZINC001129437309 830182011 /nfs/dbraw/zinc/18/20/11/830182011.db2.gz YPALWRYZWZALIH-NSHDSACASA-N 1 3 324.347 -0.289 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532133 830187725 /nfs/dbraw/zinc/18/77/25/830187725.db2.gz RYOGULKJZGULEA-AWEZNQCLSA-N 1 3 317.430 -0.800 20 0 DBADHO CCS(=O)(=O)NCCNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949675 830232638 /nfs/dbraw/zinc/23/26/38/830232638.db2.gz HKRFKXMLZSTTHA-LBPRGKRZSA-N 1 3 322.475 -0.782 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O)N(C)C ZINC001129950421 830232723 /nfs/dbraw/zinc/23/27/23/830232723.db2.gz TVWOIRMTNSIADD-OLZOCXBDSA-N 1 3 321.487 -0.041 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947258 830232824 /nfs/dbraw/zinc/23/28/24/830232824.db2.gz QXVDRNIBDDHKSQ-AWEZNQCLSA-N 1 3 316.446 -0.569 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130074960 830259086 /nfs/dbraw/zinc/25/90/86/830259086.db2.gz KARHZMVLAYRCER-KGLIPLIRSA-N 1 3 324.429 -0.392 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCCOC)[C@@H](n2ccnn2)C1 ZINC001130074960 830259093 /nfs/dbraw/zinc/25/90/93/830259093.db2.gz KARHZMVLAYRCER-KGLIPLIRSA-N 1 3 324.429 -0.392 20 0 DBADHO COCC[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130136957 830269943 /nfs/dbraw/zinc/26/99/43/830269943.db2.gz BCHDSFAUHGVZAX-KGLIPLIRSA-N 1 3 324.429 -0.394 20 0 DBADHO O=C(NCCN[C@H]1CCCNC1=O)C12CCC[NH+](CCC1)C2 ZINC001130170891 830271514 /nfs/dbraw/zinc/27/15/14/830271514.db2.gz AABTZWWTKBOWEG-ZDUSSCGKSA-N 1 3 308.426 -0.153 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)N(C)C ZINC001130198123 830279388 /nfs/dbraw/zinc/27/93/88/830279388.db2.gz VWBRIZSHFZGJNR-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+][C@@H](C)C(=O)NCCCOC)N(C)C ZINC001130200644 830279811 /nfs/dbraw/zinc/27/98/11/830279811.db2.gz MCEVUJDWRJZVDG-QWHCGFSZSA-N 1 3 316.446 -0.426 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CCNC(=O)NC(C)C)N(C)C ZINC001130202945 830281437 /nfs/dbraw/zinc/28/14/37/830281437.db2.gz BXGOKVLNJRXAGO-GFCCVEGCSA-N 1 3 301.435 -0.260 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001130203730 830281847 /nfs/dbraw/zinc/28/18/47/830281847.db2.gz VSIZKZOZUSEZRK-NWDGAFQWSA-N 1 3 305.444 -0.533 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001130422096 830321193 /nfs/dbraw/zinc/32/11/93/830321193.db2.gz WJOWQNDXKIKTAI-CYBMUJFWSA-N 1 3 311.430 -0.320 20 0 DBADHO CNC(=O)[C@@H](C)NCCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC001130558795 830341789 /nfs/dbraw/zinc/34/17/89/830341789.db2.gz PHNDZQVPPHBZMF-GFCCVEGCSA-N 1 3 307.398 -0.252 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCO)C1 ZINC001130719353 830369830 /nfs/dbraw/zinc/36/98/30/830369830.db2.gz LFQLIYMRNHIZCC-DZGCQCFKSA-N 1 3 323.441 -0.362 20 0 DBADHO O=C(NCC[NH2+]CC[C@H]1CCOC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519445 830479251 /nfs/dbraw/zinc/47/92/51/830479251.db2.gz FKQWZTHYJYGRCC-UJEKJILKSA-N 1 3 323.437 -0.018 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cn1 ZINC001131519226 830479423 /nfs/dbraw/zinc/47/94/23/830479423.db2.gz ARNGHMMRKQIDBC-CXOJTPOUSA-N 1 3 319.409 -0.511 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)cn1 ZINC001131519226 830479428 /nfs/dbraw/zinc/47/94/28/830479428.db2.gz ARNGHMMRKQIDBC-CXOJTPOUSA-N 1 3 319.409 -0.511 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001131521522 830479627 /nfs/dbraw/zinc/47/96/27/830479627.db2.gz AHLNTZCZGDNRHU-ZMDMRTEPSA-N 1 3 324.425 -0.968 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1)C(=O)N(C)C ZINC001131521522 830479629 /nfs/dbraw/zinc/47/96/29/830479629.db2.gz AHLNTZCZGDNRHU-ZMDMRTEPSA-N 1 3 324.425 -0.968 20 0 DBADHO O=C(NCC[NH2+]CC[C@@H]1CCOC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519444 830479830 /nfs/dbraw/zinc/47/98/30/830479830.db2.gz FKQWZTHYJYGRCC-HCEZTOJASA-N 1 3 323.437 -0.018 20 0 DBADHO O=C(NCCN[C@H]1CCCNC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131791023 830531196 /nfs/dbraw/zinc/53/11/96/830531196.db2.gz ZBMHGKXTIRADEE-UONOGXRCSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC001131791000 830531260 /nfs/dbraw/zinc/53/12/60/830531260.db2.gz YNPUCLDWLMPJFX-JSGCOSHPSA-N 1 3 322.409 -0.628 20 0 DBADHO C[C@@H](NCCNC(=O)c1ccccc1CC[NH+](C)C)C(N)=O ZINC001131798891 830534520 /nfs/dbraw/zinc/53/45/20/830534520.db2.gz BUBHPUKPEWQOPP-GFCCVEGCSA-N 1 3 306.410 -0.016 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001132994940 830727344 /nfs/dbraw/zinc/72/73/44/830727344.db2.gz HAUVJWZLISQLSJ-GFCCVEGCSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCC[NH+](C)C ZINC001133040298 830736405 /nfs/dbraw/zinc/73/64/05/830736405.db2.gz KMVIXVIXKXZJQI-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NCC(F)(F)F ZINC001133291300 830764293 /nfs/dbraw/zinc/76/42/93/830764293.db2.gz OJSMZMDGRLJFLE-VIFPVBQESA-N 1 3 312.336 -0.289 20 0 DBADHO CC(C)NC(=O)NC(=O)[C@H](C)NCCNC(=O)CC[NH+](C)C ZINC001133291108 830764346 /nfs/dbraw/zinc/76/43/46/830764346.db2.gz JUGVDLHFYBXSFB-NSHDSACASA-N 1 3 315.418 -0.733 20 0 DBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NC(C1CC1)C1CC1 ZINC001133297641 830765146 /nfs/dbraw/zinc/76/51/46/830765146.db2.gz OHUKEOKNLAEUMJ-UHFFFAOYSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001133419539 830774588 /nfs/dbraw/zinc/77/45/88/830774588.db2.gz RLDQLFJFLVIQEF-QWHCGFSZSA-N 1 3 319.471 -0.287 20 0 DBADHO CC(C)[C@H](C(=O)NCC[NH2+]CCCS(C)(=O)=O)N(C)C ZINC001133433931 830775592 /nfs/dbraw/zinc/77/55/92/830775592.db2.gz DHQUMKADUAEEEN-GFCCVEGCSA-N 1 3 307.460 -0.287 20 0 DBADHO CC[C@H](C(=O)NCCNCCNS(C)(=O)=O)[NH+](CC)CC ZINC001133690015 830810385 /nfs/dbraw/zinc/81/03/85/830810385.db2.gz GXCQFODTKWZTNE-GFCCVEGCSA-N 1 3 322.475 -0.638 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001133819869 830830406 /nfs/dbraw/zinc/83/04/06/830830406.db2.gz PZXCDZUNZDJGIW-QWHCGFSZSA-N 1 3 317.455 -0.389 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001133834052 830833652 /nfs/dbraw/zinc/83/36/52/830833652.db2.gz MTLIGIWKZSQEHF-KBPBESRZSA-N 1 3 309.414 -0.566 20 0 DBADHO C[C@H]1CCC[N@@H+]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001133834341 830833961 /nfs/dbraw/zinc/83/39/61/830833961.db2.gz UZNHUKSWHKYGJK-ZDUSSCGKSA-N 1 3 312.414 -0.965 20 0 DBADHO C[C@H]1CCC[N@H+]1CC(=O)NCCNCC(=O)N1CCOCC1 ZINC001133834341 830833971 /nfs/dbraw/zinc/83/39/71/830833971.db2.gz UZNHUKSWHKYGJK-ZDUSSCGKSA-N 1 3 312.414 -0.965 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133846325 830838148 /nfs/dbraw/zinc/83/81/48/830838148.db2.gz YTFGHNMXOLRIMV-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133846325 830838154 /nfs/dbraw/zinc/83/81/54/830838154.db2.gz YTFGHNMXOLRIMV-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO Cc1nc(C)n(CC[NH2+]CCNC(=O)CN2CC[C@H](C)C2)n1 ZINC001133846099 830838365 /nfs/dbraw/zinc/83/83/65/830838365.db2.gz TZKIVARUANIFPA-LBPRGKRZSA-N 1 3 308.430 -0.057 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001133853214 830839727 /nfs/dbraw/zinc/83/97/27/830839727.db2.gz FKAHLYUICDMBAG-SNVBAGLBSA-N 1 3 324.347 -0.288 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001133853214 830839730 /nfs/dbraw/zinc/83/97/30/830839730.db2.gz FKAHLYUICDMBAG-SNVBAGLBSA-N 1 3 324.347 -0.288 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001133853246 830839762 /nfs/dbraw/zinc/83/97/62/830839762.db2.gz GVARNRKQDFPXJF-CYBMUJFWSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCC2CCC2)C1 ZINC001133853246 830839771 /nfs/dbraw/zinc/83/97/71/830839771.db2.gz GVARNRKQDFPXJF-CYBMUJFWSA-N 1 3 310.442 -0.050 20 0 DBADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C)C1CC1 ZINC001133866366 830843663 /nfs/dbraw/zinc/84/36/63/830843663.db2.gz LMPFNHJJBILINX-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C)C1CC1 ZINC001133866366 830843672 /nfs/dbraw/zinc/84/36/72/830843672.db2.gz LMPFNHJJBILINX-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001133870972 830846280 /nfs/dbraw/zinc/84/62/80/830846280.db2.gz YBIJNAKPBRKPJY-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NC1CCCC1 ZINC001133870972 830846287 /nfs/dbraw/zinc/84/62/87/830846287.db2.gz YBIJNAKPBRKPJY-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)CC)N(C)C ZINC001133965623 830867110 /nfs/dbraw/zinc/86/71/10/830867110.db2.gz BTOBFNRHFXQVEX-LBPRGKRZSA-N 1 3 307.460 -0.143 20 0 DBADHO C[C@@H](NCCNC(=O)COC[C@H](C)[NH+]1CCCC1)C(N)=O ZINC001134021282 830877852 /nfs/dbraw/zinc/87/78/52/830877852.db2.gz XCWDOJVUVCZZLV-NWDGAFQWSA-N 1 3 300.403 -0.933 20 0 DBADHO O=C(CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1)NC1CC1 ZINC001182623089 833683521 /nfs/dbraw/zinc/68/35/21/833683521.db2.gz DSOBUQNSNQAMLJ-HUUCEWRRSA-N 1 3 320.437 -0.203 20 0 DBADHO CCNC(=O)CN[C@@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001182623013 833683690 /nfs/dbraw/zinc/68/36/90/833683690.db2.gz BLZRIKZAOBDKAR-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO O=C(CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)NC1CC1 ZINC001182623085 833683700 /nfs/dbraw/zinc/68/37/00/833683700.db2.gz DSOBUQNSNQAMLJ-CABCVRRESA-N 1 3 320.437 -0.203 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001182623001 833683739 /nfs/dbraw/zinc/68/37/39/833683739.db2.gz AVKKLSYTLTVULI-KGLIPLIRSA-N 1 3 308.426 -0.393 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001135510548 831078912 /nfs/dbraw/zinc/07/89/12/831078912.db2.gz ARYGTQRAAKDLIQ-UHFFFAOYSA-N 1 3 320.459 -0.931 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001135511433 831078999 /nfs/dbraw/zinc/07/89/99/831078999.db2.gz RVTBQPMGACWSIF-UHFFFAOYSA-N 1 3 302.419 -0.813 20 0 DBADHO CC[C@@H](NCCNC(=O)COC1CC[NH+](C)CC1)C(N)=O ZINC001135963378 831141748 /nfs/dbraw/zinc/14/17/48/831141748.db2.gz IJGUNWUQIVGPOE-GFCCVEGCSA-N 1 3 300.403 -0.933 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001135981049 831144045 /nfs/dbraw/zinc/14/40/45/831144045.db2.gz WWXHKBRXJFCLPE-WDEREUQCSA-N 1 3 315.418 -0.604 20 0 DBADHO CN1CCN(CCC(=O)N(c2ncccn2)C2C[NH2+]C2)CC1 ZINC001143231993 831231557 /nfs/dbraw/zinc/23/15/57/831231557.db2.gz YSPUQECNXJFSON-UHFFFAOYSA-N 1 3 304.398 -0.581 20 0 DBADHO COCCC1([NH3+])CCN(C(=O)CCN2CCN(C)CC2)CC1 ZINC001143238068 831232797 /nfs/dbraw/zinc/23/27/97/831232797.db2.gz WLSUIJAWPOCMSB-UHFFFAOYSA-N 1 3 312.458 -0.020 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)CC1 ZINC001185401413 833794667 /nfs/dbraw/zinc/79/46/67/833794667.db2.gz PRKGDQDAOUYNJT-CYBMUJFWSA-N 1 3 317.455 -0.437 20 0 DBADHO CN(C)C(=O)CN1[C@H]2COC[C@@H]1CN(CC1CC[NH+](C)CC1)C2 ZINC001276696328 833450828 /nfs/dbraw/zinc/45/08/28/833450828.db2.gz ODTACHHNAAKEIU-IYBDPMFKSA-N 1 3 324.469 -0.199 20 0 DBADHO C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001147824563 831409957 /nfs/dbraw/zinc/40/99/57/831409957.db2.gz LPLHMLANGLUMFN-QWRGUYRKSA-N 1 3 313.402 -0.993 20 0 DBADHO COc1cc(CNCCNC(=O)COCC[NH+](C)C)ccn1 ZINC001147842376 831411305 /nfs/dbraw/zinc/41/13/05/831411305.db2.gz VINMZEXZUQEUTL-UHFFFAOYSA-N 1 3 310.398 -0.126 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842368 831411342 /nfs/dbraw/zinc/41/13/42/831411342.db2.gz UVGHYZAGJJCWNJ-UHFFFAOYSA-N 1 3 314.430 -0.861 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001147877194 831414724 /nfs/dbraw/zinc/41/47/24/831414724.db2.gz GEKKOCBKPFQZDS-SNVBAGLBSA-N 1 3 324.347 -0.288 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)NCCNCC(=O)NCC(F)(F)F)C1 ZINC001147877194 831414728 /nfs/dbraw/zinc/41/47/28/831414728.db2.gz GEKKOCBKPFQZDS-SNVBAGLBSA-N 1 3 324.347 -0.288 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147885244 831414906 /nfs/dbraw/zinc/41/49/06/831414906.db2.gz KRGZZHIHEMRQDI-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147885244 831414909 /nfs/dbraw/zinc/41/49/09/831414909.db2.gz KRGZZHIHEMRQDI-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO CCCC[C@H](NCCNC(=O)COCC[NH+](C)C)C(N)=O ZINC001147892022 831415635 /nfs/dbraw/zinc/41/56/35/831415635.db2.gz GWESDHZVXMHVFX-LBPRGKRZSA-N 1 3 302.419 -0.686 20 0 DBADHO CCCCNC(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893831 831415702 /nfs/dbraw/zinc/41/57/02/831415702.db2.gz UXBGMJCGEGYIDK-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO C[C@H](NCCNC(=O)COCC[NH+](C)C)C(=O)NC(C)(C)C ZINC001147891533 831416045 /nfs/dbraw/zinc/41/60/45/831416045.db2.gz BNOWOSPRJFXPIC-LBPRGKRZSA-N 1 3 316.446 -0.426 20 0 DBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NC1CCOCC1 ZINC001147971108 831420362 /nfs/dbraw/zinc/42/03/62/831420362.db2.gz VBJSYTHCVYDHAB-UHFFFAOYSA-N 1 3 324.425 -0.917 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001148638808 831468157 /nfs/dbraw/zinc/46/81/57/831468157.db2.gz SRGGZXJRWWLIGP-CYBMUJFWSA-N 1 3 319.471 -0.141 20 0 DBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@H+](C[C@H](O)COC)C2 ZINC001148652210 831469166 /nfs/dbraw/zinc/46/91/66/831469166.db2.gz ZRIWBHYRKUNHFA-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO CCCN(C)CC(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)COC)C2 ZINC001148652210 831469170 /nfs/dbraw/zinc/46/91/70/831469170.db2.gz ZRIWBHYRKUNHFA-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCOCCO)C3)C1 ZINC001148748127 831473392 /nfs/dbraw/zinc/47/33/92/831473392.db2.gz JLIDRZHBUJXJRZ-AWEZNQCLSA-N 1 3 311.426 -0.519 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CCN(CCOCCO)C3)C1 ZINC001148748127 831473396 /nfs/dbraw/zinc/47/33/96/831473396.db2.gz JLIDRZHBUJXJRZ-AWEZNQCLSA-N 1 3 311.426 -0.519 20 0 DBADHO COC[C@@H](O)CN1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150241179 831601290 /nfs/dbraw/zinc/60/12/90/831601290.db2.gz MPSLRMJSQALVFU-KBPBESRZSA-N 1 3 317.430 -0.848 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)O)CCCO1 ZINC001150547257 831628151 /nfs/dbraw/zinc/62/81/51/831628151.db2.gz QISALESHKZQKPR-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@H](C)O)CCCO1 ZINC001150547257 831628155 /nfs/dbraw/zinc/62/81/55/831628155.db2.gz QISALESHKZQKPR-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001150588706 831630379 /nfs/dbraw/zinc/63/03/79/831630379.db2.gz RFPVCEHKCUNHDG-GJZGRUSLSA-N 1 3 313.442 -0.082 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2CN(CCCO)CCCO2)C1 ZINC001150588706 831630382 /nfs/dbraw/zinc/63/03/82/831630382.db2.gz RFPVCEHKCUNHDG-GJZGRUSLSA-N 1 3 313.442 -0.082 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001150796584 831647559 /nfs/dbraw/zinc/64/75/59/831647559.db2.gz WAYNITSSFABLRP-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001150796584 831647564 /nfs/dbraw/zinc/64/75/64/831647564.db2.gz WAYNITSSFABLRP-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001151049255 831659957 /nfs/dbraw/zinc/65/99/57/831659957.db2.gz LLSKXJGQESLPCL-GFCCVEGCSA-N 1 3 308.382 -0.447 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001151049255 831659960 /nfs/dbraw/zinc/65/99/60/831659960.db2.gz LLSKXJGQESLPCL-GFCCVEGCSA-N 1 3 308.382 -0.447 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NCC(F)(F)F ZINC001151074090 831661831 /nfs/dbraw/zinc/66/18/31/831661831.db2.gz VCJLVJWUUCPPJQ-NXEZZACHSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NCC(F)(F)F ZINC001151074090 831661835 /nfs/dbraw/zinc/66/18/35/831661835.db2.gz VCJLVJWUUCPPJQ-NXEZZACHSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)NCC(F)(F)F ZINC001151074094 831663464 /nfs/dbraw/zinc/66/34/64/831663464.db2.gz VCJLVJWUUCPPJQ-VHSXEESVSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@H](NCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)NCC(F)(F)F ZINC001151074094 831663467 /nfs/dbraw/zinc/66/34/67/831663467.db2.gz VCJLVJWUUCPPJQ-VHSXEESVSA-N 1 3 324.347 -0.289 20 0 DBADHO C[NH+](C)Cc1cccc(C(=O)NCCNCC(=O)NC(N)=O)c1 ZINC001152237291 831735786 /nfs/dbraw/zinc/73/57/86/831735786.db2.gz LSCMDRUCFXEVTQ-UHFFFAOYSA-N 1 3 321.381 -0.738 20 0 DBADHO C[NH+](C)Cc1ccccc1C(=O)NCCN[C@H]1CCNC1=O ZINC001152393171 831747022 /nfs/dbraw/zinc/74/70/22/831747022.db2.gz FQFCYKBKLYDKSG-AWEZNQCLSA-N 1 3 304.394 -0.044 20 0 DBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155791294 831952673 /nfs/dbraw/zinc/95/26/73/831952673.db2.gz VKZWLYSOSRWCJT-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@H]1CCNC[C@H]1F ZINC001157324094 832034232 /nfs/dbraw/zinc/03/42/32/832034232.db2.gz QUMXQVGFASAFQU-UTUOFQBUSA-N 1 3 302.394 -0.316 20 0 DBADHO N[C@H]1CN(C(=O)[C@H]([NH3+])C2CCC3(CC2)OCCO3)C[C@H]1F ZINC001157538126 832051717 /nfs/dbraw/zinc/05/17/17/832051717.db2.gz HMTVIICKTXYLHE-GRYCIOLGSA-N 1 3 301.362 -0.245 20 0 DBADHO CN1CCN(c2ccncc2C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)CC1 ZINC001157548621 832052711 /nfs/dbraw/zinc/05/27/11/832052711.db2.gz RYPJBFLRILOSDL-OLZOCXBDSA-N 1 3 307.373 -0.045 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001157717003 832058112 /nfs/dbraw/zinc/05/81/12/832058112.db2.gz WCBVDVZKYOGFKA-DZKIICNBSA-N 1 3 311.426 -0.018 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001157720543 832058511 /nfs/dbraw/zinc/05/85/11/832058511.db2.gz LNBJKLZAFDNDFL-IHRRRGAJSA-N 1 3 324.425 -0.824 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@](F)(C[NH3+])CC1 ZINC001157741104 832060186 /nfs/dbraw/zinc/06/01/86/832060186.db2.gz SQBZXXNDNRXMBW-ZWNOBZJWSA-N 1 3 303.382 -0.558 20 0 DBADHO CN1CCN(C(=N)Nc2nccc(N3CCC([NH3+])CC3)n2)CC1 ZINC001157915805 832073179 /nfs/dbraw/zinc/07/31/79/832073179.db2.gz VHHOJZSGGXWZKZ-UHFFFAOYSA-N 1 3 318.429 -0.002 20 0 DBADHO C[C@]1(CO)CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)CC[C@H]1O ZINC001157947783 832078414 /nfs/dbraw/zinc/07/84/14/832078414.db2.gz XJEBNGBIAUZDHH-GZBFAFLISA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)CC[C@H]1O ZINC001157947783 832078417 /nfs/dbraw/zinc/07/84/17/832078417.db2.gz XJEBNGBIAUZDHH-GZBFAFLISA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CCN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C[C@H]1O ZINC001157947176 832078473 /nfs/dbraw/zinc/07/84/73/832078473.db2.gz RAUMKQQGJCLHCJ-GZBFAFLISA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CCN(C(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C[C@H]1O ZINC001157947176 832078475 /nfs/dbraw/zinc/07/84/75/832078475.db2.gz RAUMKQQGJCLHCJ-GZBFAFLISA-N 1 3 311.426 -0.548 20 0 DBADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001157998438 832081756 /nfs/dbraw/zinc/08/17/56/832081756.db2.gz FNAHUULFZNREFM-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO O=C([C@@H]1C[C@@H](F)CCN1)N1CC2(C[NH2+]C2)[C@@]2(CCNC2=O)C1 ZINC001158110685 832091210 /nfs/dbraw/zinc/09/12/10/832091210.db2.gz HUVARHBANJRWAN-PGUXBMHVSA-N 1 3 310.373 -0.985 20 0 DBADHO O=C(c1ccc2c(n1)CCNC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158178774 832096289 /nfs/dbraw/zinc/09/62/89/832096289.db2.gz CALXSRJZBSLGAZ-IUODEOHRSA-N 1 3 302.378 -0.212 20 0 DBADHO O=C(N1C[C@@H]2OCC(F)(F)[C@@H]2C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158321086 832105980 /nfs/dbraw/zinc/10/59/80/832105980.db2.gz YWMZLUSKGWCFGI-HNCHTBHHSA-N 1 3 301.337 -0.322 20 0 DBADHO CCOC(=O)[C@@]12C[NH2+]C[C@@]1(C(F)(F)F)CN(C(=O)[C@@H](C)N)C2 ZINC001158384964 832107943 /nfs/dbraw/zinc/10/79/43/832107943.db2.gz UCRVNMWYQBTFRD-JFUSQASVSA-N 1 3 323.315 -0.123 20 0 DBADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1 ZINC001158486991 832117288 /nfs/dbraw/zinc/11/72/88/832117288.db2.gz UPDFRNSKNPLKMK-CABCVRRESA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccc(CNCCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)n1 ZINC001158486991 832117295 /nfs/dbraw/zinc/11/72/95/832117295.db2.gz UPDFRNSKNPLKMK-CABCVRRESA-N 1 3 321.425 -0.121 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H]1C[C@@H](F)CCN1 ZINC001158496485 832118579 /nfs/dbraw/zinc/11/85/79/832118579.db2.gz OWQKDPMSWNDJEF-PJSNJIKXSA-N 1 3 313.373 -0.172 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001158496555 832118834 /nfs/dbraw/zinc/11/88/34/832118834.db2.gz SEEXQBUHFQMSPG-XYJRDEOASA-N 1 3 321.381 -0.969 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001158496555 832118839 /nfs/dbraw/zinc/11/88/39/832118839.db2.gz SEEXQBUHFQMSPG-XYJRDEOASA-N 1 3 321.381 -0.969 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158543961 832120637 /nfs/dbraw/zinc/12/06/37/832120637.db2.gz AQWVRBAFNRZDQI-GTWVPBCASA-N 1 3 315.439 -0.938 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(c1ncc3c(n1)CCNC3)CC2 ZINC001158636988 832126418 /nfs/dbraw/zinc/12/64/18/832126418.db2.gz NTVCHVZSLIZWIM-BBRMVZONSA-N 1 3 317.393 -0.146 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@H]1[NH2+]CC[C@H]1O)C2 ZINC001158855802 832141335 /nfs/dbraw/zinc/14/13/35/832141335.db2.gz IRPGPMYDONBHDF-CABCVRRESA-N 1 3 321.425 -0.143 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@H]1[NH2+]CC[C@@H]1O)C2 ZINC001158855803 832142043 /nfs/dbraw/zinc/14/20/43/832142043.db2.gz IRPGPMYDONBHDF-GJZGRUSLSA-N 1 3 321.425 -0.143 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)[C@@H](N)CC[NH3+])C2 ZINC001158857645 832142147 /nfs/dbraw/zinc/14/21/47/832142147.db2.gz VMBXOULOLSEYJK-LBPRGKRZSA-N 1 3 308.430 -0.189 20 0 DBADHO CC(C)N(C)Cc1[nH]nc2c1CCN(C(=O)[C@@H](N)CC[NH3+])C2 ZINC001158857645 832142150 /nfs/dbraw/zinc/14/21/50/832142150.db2.gz VMBXOULOLSEYJK-LBPRGKRZSA-N 1 3 308.430 -0.189 20 0 DBADHO NC[C@H](N)C(=O)N(c1ncccc1F)[C@@H]1CO[C@]2(CC[NH2+]C2)C1 ZINC001158904927 832142774 /nfs/dbraw/zinc/14/27/74/832142774.db2.gz UZNRNCFZTYXUIP-ITDIGPHOSA-N 1 3 323.372 -0.639 20 0 DBADHO NC[C@H](N)C(=O)N(c1ncccc1F)[C@@H]1CO[C@@]2(CC[NH2+]C2)C1 ZINC001158904928 832142974 /nfs/dbraw/zinc/14/29/74/832142974.db2.gz UZNRNCFZTYXUIP-WBIUFABUSA-N 1 3 323.372 -0.639 20 0 DBADHO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)C1(N)CC1)CC2 ZINC001159190983 832163938 /nfs/dbraw/zinc/16/39/38/832163938.db2.gz PGVBIVQMMPNGNB-UHFFFAOYSA-N 1 3 321.381 -0.658 20 0 DBADHO CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(CCOCCO)C1 ZINC001269355260 832421739 /nfs/dbraw/zinc/42/17/39/832421739.db2.gz FCMZUZIIIIZHDI-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO CCN(C(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(CCOCCO)C1 ZINC001269355260 832421741 /nfs/dbraw/zinc/42/17/41/832421741.db2.gz FCMZUZIIIIZHDI-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO CC[C@H](C(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)N(C)C ZINC001269437710 832434390 /nfs/dbraw/zinc/43/43/90/832434390.db2.gz SVNXBRYXRSAKFD-GFCCVEGCSA-N 1 3 324.425 -0.286 20 0 DBADHO CC[C@@H](C(=O)NCC1([NH2+]CCN2C(=O)CCC2=O)CC1)N(C)C ZINC001269522710 832445351 /nfs/dbraw/zinc/44/53/51/832445351.db2.gz SVNXBRYXRSAKFD-LBPRGKRZSA-N 1 3 324.425 -0.286 20 0 DBADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4c[nH]cn4)CC3)[C@@H]2C1 ZINC001270181002 832509404 /nfs/dbraw/zinc/50/94/04/832509404.db2.gz RDFJFRIMHUNDRA-CHWSQXEVSA-N 1 3 317.393 -0.379 20 0 DBADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C(=O)Cc4c[nH]cn4)CC3)[C@@H]2C1 ZINC001270181002 832509408 /nfs/dbraw/zinc/50/94/08/832509408.db2.gz RDFJFRIMHUNDRA-CHWSQXEVSA-N 1 3 317.393 -0.379 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001270304016 832521310 /nfs/dbraw/zinc/52/13/10/832521310.db2.gz KZZMUGRBPLPGAP-CHWSQXEVSA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2CNCCS(C)(=O)=O)C1 ZINC001270304016 832521315 /nfs/dbraw/zinc/52/13/15/832521315.db2.gz KZZMUGRBPLPGAP-CHWSQXEVSA-N 1 3 317.455 -0.437 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001187232233 833910429 /nfs/dbraw/zinc/91/04/29/833910429.db2.gz XOKWABZERSPFGC-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001271168922 832633822 /nfs/dbraw/zinc/63/38/22/832633822.db2.gz BJTFSUBJNNHXTD-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C(=O)N1C[C@@H]2[C@H](C1)OCCN2CC[NH+](C)C)N1CCCC1 ZINC001271214101 832640064 /nfs/dbraw/zinc/64/00/64/832640064.db2.gz MKVYLBBJQHOKKB-XHSDSOJGSA-N 1 3 324.469 -0.056 20 0 DBADHO CCN(CC)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@H+](C)C[C@@H]12 ZINC001271538207 832679099 /nfs/dbraw/zinc/67/90/99/832679099.db2.gz SKFHCNGUWMEPNW-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]12 ZINC001271538207 832679101 /nfs/dbraw/zinc/67/91/01/832679101.db2.gz SKFHCNGUWMEPNW-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CN1CCC(O)(C(=O)N2[C@@H]3CC[C@H]2CN(CC[NH+](C)C)C3)CC1 ZINC001271804781 832702855 /nfs/dbraw/zinc/70/28/55/832702855.db2.gz QNELQXKHZWUSID-GASCZTMLSA-N 1 3 324.469 -0.320 20 0 DBADHO C[C@@H](C(=O)N(CCO)CC[NH2+]CCO)N1CCCCCC1 ZINC001272271708 832765020 /nfs/dbraw/zinc/76/50/20/832765020.db2.gz LQYDHAIFUQJESW-AWEZNQCLSA-N 1 3 301.431 -0.346 20 0 DBADHO C[NH+](C)CCN1C[C@@]2(CCN(C[C@H]3CCC(=O)N3)C2)OCC1=O ZINC001272525419 832794282 /nfs/dbraw/zinc/79/42/82/832794282.db2.gz SNUYDYCSQVEEBQ-CJNGLKHVSA-N 1 3 324.425 -0.870 20 0 DBADHO COC[C@H](O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001272641780 832815147 /nfs/dbraw/zinc/81/51/47/832815147.db2.gz OJWYZMRAGPALGS-LSDHHAIUSA-N 1 3 313.442 -0.082 20 0 DBADHO Cc1noc([C@]23COC[C@H]2CN(C(=O)[C@@H](N)CCCC[NH3+])C3)n1 ZINC001159472773 832819421 /nfs/dbraw/zinc/81/94/21/832819421.db2.gz YXFXDRZMDHZMAM-TYNCELHUSA-N 1 3 323.397 -0.439 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CC2CC1(C(=O)N1CCCC1)C2 ZINC001159688199 832835427 /nfs/dbraw/zinc/83/54/27/832835427.db2.gz OELZKQSXFCONIU-JZLYGMAVSA-N 1 3 318.421 -0.591 20 0 DBADHO N[C@@H](C[NH3+])C(=O)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001159856090 832851000 /nfs/dbraw/zinc/85/10/00/832851000.db2.gz RKHFFKVWLRTTSL-YUELXQCFSA-N 1 3 322.384 -0.224 20 0 DBADHO N[C@@H](C[NH3+])C(=O)N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001159856081 832852207 /nfs/dbraw/zinc/85/22/07/832852207.db2.gz RKHFFKVWLRTTSL-CFVMTHIKSA-N 1 3 322.384 -0.224 20 0 DBADHO CN1C[C@@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@@H]2C1=O ZINC001159884184 832854533 /nfs/dbraw/zinc/85/45/33/832854533.db2.gz BXUVFWKMFYWFMU-FRRDWIJNSA-N 1 3 306.410 -0.593 20 0 DBADHO CN1C[C@@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@@H]2C1=O ZINC001159884184 832854547 /nfs/dbraw/zinc/85/45/47/832854547.db2.gz BXUVFWKMFYWFMU-FRRDWIJNSA-N 1 3 306.410 -0.593 20 0 DBADHO CN1C[C@@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@@H]2C1=O ZINC001159884183 832855879 /nfs/dbraw/zinc/85/58/79/832855879.db2.gz BXUVFWKMFYWFMU-AGIUHOORSA-N 1 3 306.410 -0.593 20 0 DBADHO CN1C[C@@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@@H]2C1=O ZINC001159884183 832855887 /nfs/dbraw/zinc/85/58/87/832855887.db2.gz BXUVFWKMFYWFMU-AGIUHOORSA-N 1 3 306.410 -0.593 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC1CC1)C1CC1 ZINC001159917498 832858666 /nfs/dbraw/zinc/85/86/66/832858666.db2.gz XPZUAUMPJGQFGB-OAHLLOKOSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001159925505 832859838 /nfs/dbraw/zinc/85/98/38/832859838.db2.gz RPOCBPSHVIBIEK-DGCLKSJQSA-N 1 3 310.398 -0.772 20 0 DBADHO C[C@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)NC(N)=O ZINC001159931648 832860475 /nfs/dbraw/zinc/86/04/75/832860475.db2.gz HPJNKIDIHHIYHW-GXSJLCMTSA-N 1 3 313.402 -0.994 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCNC(=O)C1CC1)C1CC1 ZINC001159932434 832860721 /nfs/dbraw/zinc/86/07/21/832860721.db2.gz RCXQIWBMSFUTII-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CC(=O)NCCC[NH2+]CCS(C)(=O)=O)C1CCC1 ZINC001159997517 832863669 /nfs/dbraw/zinc/86/36/69/832863669.db2.gz PZAKOUPLGXEMTR-UHFFFAOYSA-N 1 3 305.444 -0.389 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[C@@H](O)C1 ZINC001273068897 832872228 /nfs/dbraw/zinc/87/22/28/832872228.db2.gz CTIHPUJKHQYEKX-ILXRZTDVSA-N 1 3 310.442 -0.710 20 0 DBADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[C@@H](O)C1 ZINC001273068897 832872236 /nfs/dbraw/zinc/87/22/36/832872236.db2.gz CTIHPUJKHQYEKX-ILXRZTDVSA-N 1 3 310.442 -0.710 20 0 DBADHO CN(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[C@H](O)C1 ZINC001273068898 832872377 /nfs/dbraw/zinc/87/23/77/832872377.db2.gz CTIHPUJKHQYEKX-KKUMJFAQSA-N 1 3 310.442 -0.710 20 0 DBADHO CN(C)CC[N@H+]1CC[C@H]2[C@@H]1CCN2C(=O)CN1CC[C@H](O)C1 ZINC001273068898 832872384 /nfs/dbraw/zinc/87/23/84/832872384.db2.gz CTIHPUJKHQYEKX-KKUMJFAQSA-N 1 3 310.442 -0.710 20 0 DBADHO CC(=O)OC[C@H](N)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160154936 832877731 /nfs/dbraw/zinc/87/77/31/832877731.db2.gz ARAQKMZFOSOVDP-MJBXVCDLSA-N 1 3 311.382 -0.802 20 0 DBADHO CC(=O)OC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](CC3CC3)C[C@H](C1)O2 ZINC001160154936 832877737 /nfs/dbraw/zinc/87/77/37/832877737.db2.gz ARAQKMZFOSOVDP-MJBXVCDLSA-N 1 3 311.382 -0.802 20 0 DBADHO CC(=O)NCc1ncn2c1CN(C(=O)[C@@H](N)CCC[NH3+])CCC2 ZINC001160323163 832894122 /nfs/dbraw/zinc/89/41/22/832894122.db2.gz INVQVSNUAFKFLD-LBPRGKRZSA-N 1 3 322.413 -0.682 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160404544 832899609 /nfs/dbraw/zinc/89/96/09/832899609.db2.gz OZXNYIOMJNSFSN-GBJTYRQASA-N 1 3 321.421 -0.552 20 0 DBADHO C[NH2+]CC1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001160456283 832906721 /nfs/dbraw/zinc/90/67/21/832906721.db2.gz FRBUUOZFFCRPEE-GFCCVEGCSA-N 1 3 315.439 -0.779 20 0 DBADHO O=C([C@@H]1COC2(CNC2)CN1)N1CCCC[C@@H]1C[NH+]1CCCC1 ZINC001160460752 832907542 /nfs/dbraw/zinc/90/75/42/832907542.db2.gz FHFAWZPZWYKUOW-CABCVRRESA-N 1 3 322.453 -0.206 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCN(CCc2ccncc2)CC1 ZINC001160490678 832910072 /nfs/dbraw/zinc/91/00/72/832910072.db2.gz XLYVUCCXTFCWNA-HNNXBMFYSA-N 1 3 305.426 -0.166 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160506959 832912360 /nfs/dbraw/zinc/91/23/60/832912360.db2.gz SKXZTQJOKDPSLT-OLZOCXBDSA-N 1 3 312.414 -0.708 20 0 DBADHO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001160564945 832917462 /nfs/dbraw/zinc/91/74/62/832917462.db2.gz SPWRDLXJKRXAGJ-NSHDSACASA-N 1 3 301.350 -0.438 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCc2nc(Cl)ncc2C1 ZINC001160575838 832919649 /nfs/dbraw/zinc/91/96/49/832919649.db2.gz KSUODXPZCJALSJ-JTQLQIEISA-N 1 3 307.785 -0.176 20 0 DBADHO CC1(C)CN(C2CN(C(=O)[C@@H](N)C3CC[NH2+]CC3)C2)CCO1 ZINC001160663809 832932308 /nfs/dbraw/zinc/93/23/08/832932308.db2.gz WBJBXAVXTPDLLJ-AWEZNQCLSA-N 1 3 310.442 -0.365 20 0 DBADHO Cn1cnnc1C1CCN(C(=O)[C@H](N)C2CC[NH2+]CC2)CC1 ZINC001160705830 832936332 /nfs/dbraw/zinc/93/63/32/832936332.db2.gz SQKAEIAWIRJOJO-CYBMUJFWSA-N 1 3 306.414 -0.152 20 0 DBADHO N[C@@H](C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2)C1CC[NH2+]CC1 ZINC001160715588 832937559 /nfs/dbraw/zinc/93/75/59/832937559.db2.gz GNDNJTCPRPEHKF-CQSZACIVSA-N 1 3 322.409 -0.641 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)CCC[NH+](C)C ZINC001273575804 832939695 /nfs/dbraw/zinc/93/96/95/832939695.db2.gz KXXQUNLBOALFMN-GFCCVEGCSA-N 1 3 312.414 -0.429 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N1C[C@@H]2COC[C@H](C1)C2(F)F ZINC001160760761 832941990 /nfs/dbraw/zinc/94/19/90/832941990.db2.gz RABXNQVPXJPWLF-AEJSXWLSSA-N 1 3 309.382 -0.254 20 0 DBADHO CCOC(=O)[C@@H]1c2nc[nH]c2CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001160788317 832942589 /nfs/dbraw/zinc/94/25/89/832942589.db2.gz QSYVELMSRWNREN-CABZTGNLSA-N 1 3 309.370 -0.535 20 0 DBADHO CCOC(=O)[C@]12CN(C(=O)[C@@H](N)CC(F)F)C[C@H]1C[NH2+]CC2 ZINC001160813133 832945776 /nfs/dbraw/zinc/94/57/76/832945776.db2.gz VDQGPAQTOQHTBV-ISTVAULSSA-N 1 3 319.352 -0.030 20 0 DBADHO COC(=O)[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CCN1C ZINC001160870322 832954250 /nfs/dbraw/zinc/95/42/50/832954250.db2.gz BWSAJAPQVIRANI-STQMWFEESA-N 1 3 314.430 -0.639 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)N(C)C ZINC001160889315 832956897 /nfs/dbraw/zinc/95/68/97/832956897.db2.gz HYHAVNJDKMQUES-ZIAGYGMSSA-N 1 3 311.430 -0.320 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001160889733 832957361 /nfs/dbraw/zinc/95/73/61/832957361.db2.gz QRDRHWMZTYKOES-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCOC[C@H]1c1cccnc1 ZINC001160950819 832961194 /nfs/dbraw/zinc/96/11/94/832961194.db2.gz HOAHJHYNVDGHRA-KGLIPLIRSA-N 1 3 302.378 -0.210 20 0 DBADHO C[NH+](C)CCN1C[C@@]2(CCN(CCn3ccnc3)C2)OCC1=O ZINC001273784716 832963948 /nfs/dbraw/zinc/96/39/48/832963948.db2.gz GSSDJBGWPVIETK-INIZCTEOSA-N 1 3 321.425 -0.252 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000091 832964030 /nfs/dbraw/zinc/96/40/30/832964030.db2.gz PDGFLTAYCNTFEW-QWHCGFSZSA-N 1 3 307.398 -0.995 20 0 DBADHO O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161000105 832964207 /nfs/dbraw/zinc/96/42/07/832964207.db2.gz PUJITELBNQMOBZ-FMKPAKJESA-N 1 3 323.437 -0.140 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161080979 832972818 /nfs/dbraw/zinc/97/28/18/832972818.db2.gz APLGGTBBSJMHTB-LBPRGKRZSA-N 1 3 311.430 -0.280 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]21 ZINC001161082898 832973580 /nfs/dbraw/zinc/97/35/80/832973580.db2.gz QJSUOTSCVPGZNT-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)CN3CCCC[C@H](N)C3=O)C[C@H]21 ZINC001161082898 832973575 /nfs/dbraw/zinc/97/35/75/832973575.db2.gz QJSUOTSCVPGZNT-HZSPNIEDSA-N 1 3 308.426 -0.121 20 0 DBADHO COC(=O)[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[C@@H]1C ZINC001161117295 832980801 /nfs/dbraw/zinc/98/08/01/832980801.db2.gz FDSHYBJIESHCNC-BRXULGCHSA-N 1 3 309.410 -0.014 20 0 DBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1CNCc2ccnn2C1 ZINC001161152872 832985557 /nfs/dbraw/zinc/98/55/57/832985557.db2.gz AHAGCRSJTCMSLQ-GFCCVEGCSA-N 1 3 323.397 -0.657 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1 ZINC001273928800 832987232 /nfs/dbraw/zinc/98/72/32/832987232.db2.gz FFROXMTXVDJCSM-OAHLLOKOSA-N 1 3 301.431 -0.346 20 0 DBADHO N[C@H](C(=O)N1Cc2ccnn2CC[C@H]1CO)C1CC[NH2+]CC1 ZINC001161172878 832988201 /nfs/dbraw/zinc/98/82/01/832988201.db2.gz YKVLSWXJVSSJCB-KBPBESRZSA-N 1 3 307.398 -0.697 20 0 DBADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001161174636 832988701 /nfs/dbraw/zinc/98/87/01/832988701.db2.gz BIWXRFJNNVJBBV-MGPQQGTHSA-N 1 3 308.426 -0.883 20 0 DBADHO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001161174637 832989052 /nfs/dbraw/zinc/98/90/52/832989052.db2.gz BIWXRFJNNVJBBV-MJBXVCDLSA-N 1 3 308.426 -0.883 20 0 DBADHO CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001161174637 832989054 /nfs/dbraw/zinc/98/90/54/832989054.db2.gz BIWXRFJNNVJBBV-MJBXVCDLSA-N 1 3 308.426 -0.883 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001179763373 833557816 /nfs/dbraw/zinc/55/78/16/833557816.db2.gz JYVPCCYGMZXYEQ-AVGNSLFASA-N 1 3 324.425 -0.288 20 0 DBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929608 833563699 /nfs/dbraw/zinc/56/36/99/833563699.db2.gz RCUCKXLHYHNGOC-AGIUHOORSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180124187 833569957 /nfs/dbraw/zinc/56/99/57/833569957.db2.gz FZHZNLXCPDXXGY-SCRDCRAPSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)NC2CC2)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180124187 833569960 /nfs/dbraw/zinc/56/99/60/833569960.db2.gz FZHZNLXCPDXXGY-SCRDCRAPSA-N 1 3 308.426 -0.204 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC1 ZINC001185230102 833783911 /nfs/dbraw/zinc/78/39/11/833783911.db2.gz LGBMPDVRXBICSF-CYBMUJFWSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1 ZINC001185249453 833785864 /nfs/dbraw/zinc/78/58/64/833785864.db2.gz XZBYVCGZYFMCDZ-NEPJUHHUSA-N 1 3 310.398 -0.676 20 0 DBADHO C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001185650283 833802519 /nfs/dbraw/zinc/80/25/19/833802519.db2.gz FKPGYKLPETVXCO-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001185650283 833802529 /nfs/dbraw/zinc/80/25/29/833802529.db2.gz FKPGYKLPETVXCO-GXTWGEPZSA-N 1 3 308.426 -0.060 20 0 DBADHO CC(C)NC(=O)NCC[NH2+][C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001185926381 833817736 /nfs/dbraw/zinc/81/77/36/833817736.db2.gz SYYXDTDXOXFRAC-GFCCVEGCSA-N 1 3 322.413 -0.150 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001186453089 833850651 /nfs/dbraw/zinc/85/06/51/833850651.db2.gz WSZICZWOTFNHDD-CABCVRRESA-N 1 3 323.441 -0.224 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001186451718 833851585 /nfs/dbraw/zinc/85/15/85/833851585.db2.gz ILUZHBZUVSKDFC-CYBMUJFWSA-N 1 3 324.425 -0.332 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CCN(C(=O)CN2CCC(C)CC2)C1 ZINC001186555293 833856947 /nfs/dbraw/zinc/85/69/47/833856947.db2.gz NUXXBWRXHPFOLC-HUUCEWRRSA-N 1 3 313.442 -0.084 20 0 DBADHO Cn1cncc1CN[C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187114966 833902615 /nfs/dbraw/zinc/90/26/15/833902615.db2.gz DRGRSYPRAGYRHR-CYBMUJFWSA-N 1 3 309.414 -0.311 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CC[C@@H](N[C@H]2CCCNC2=O)C1 ZINC001187115551 833902950 /nfs/dbraw/zinc/90/29/50/833902950.db2.gz LVBSJDXQJGAMIP-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001187322641 833916894 /nfs/dbraw/zinc/91/68/94/833916894.db2.gz PSWFXRWGKHHZTD-VXGBXAGGSA-N 1 3 310.398 -0.676 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H](N[C@H]2CCNC2=O)C1 ZINC001188106648 833966492 /nfs/dbraw/zinc/96/64/92/833966492.db2.gz PWZLHDGGMQZUEO-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001188140028 833969782 /nfs/dbraw/zinc/96/97/82/833969782.db2.gz WPBBRUHCKXYYMV-GHMZBOCLSA-N 1 3 313.402 -0.900 20 0 DBADHO CN1CCN(C(=O)CN2CCC[C@]3(C2)C[N@H+](C)CCO3)CC1 ZINC001277631369 833977294 /nfs/dbraw/zinc/97/72/94/833977294.db2.gz GQYUENKJXZWSKE-MRXNPFEDSA-N 1 3 310.442 -0.443 20 0 DBADHO CN1CCN(C(=O)CN2CCC[C@]3(C2)C[N@@H+](C)CCO3)CC1 ZINC001277631369 833977301 /nfs/dbraw/zinc/97/73/01/833977301.db2.gz GQYUENKJXZWSKE-MRXNPFEDSA-N 1 3 310.442 -0.443 20 0 DBADHO CN(C)C(=O)CNC(=O)[C@@]12C[C@@H]1CCN2CC1CC[NH2+]CC1 ZINC001277821951 833995602 /nfs/dbraw/zinc/99/56/02/833995602.db2.gz PDANPSOAKAAISR-XJKSGUPXSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@@H]1CCC(=O)NC1=O ZINC001277920922 834006407 /nfs/dbraw/zinc/00/64/07/834006407.db2.gz COBLGEPRVFQXEG-WCQYABFASA-N 1 3 324.425 -0.430 20 0 DBADHO C[C@H](O)CN1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1 ZINC001277961332 834014543 /nfs/dbraw/zinc/01/45/43/834014543.db2.gz WONNYKSONJNLCX-HOCLYGCPSA-N 1 3 312.458 -0.415 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@H]2CN(CCOCCO)C[C@H]21 ZINC001188978643 834032203 /nfs/dbraw/zinc/03/22/03/834032203.db2.gz BPYXWVWRZSNNBV-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189470008 834084949 /nfs/dbraw/zinc/08/49/49/834084949.db2.gz BOTWUFXZBKWFQI-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189470008 834084956 /nfs/dbraw/zinc/08/49/56/834084956.db2.gz BOTWUFXZBKWFQI-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189898058 834125371 /nfs/dbraw/zinc/12/53/71/834125371.db2.gz CNGMUAHACHBYID-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001189898058 834125372 /nfs/dbraw/zinc/12/53/72/834125372.db2.gz CNGMUAHACHBYID-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001190900342 834203272 /nfs/dbraw/zinc/20/32/72/834203272.db2.gz OPWCZHKEQVQBRV-BFHYXJOUSA-N 1 3 301.431 -0.133 20 0 DBADHO CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001190900342 834203275 /nfs/dbraw/zinc/20/32/75/834203275.db2.gz OPWCZHKEQVQBRV-BFHYXJOUSA-N 1 3 301.431 -0.133 20 0 DBADHO CN(CCOCCO)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046074 834320271 /nfs/dbraw/zinc/32/02/71/834320271.db2.gz JWEKNLGFQXNPFI-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO COC(=O)CCS(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238242227 834350397 /nfs/dbraw/zinc/35/03/97/834350397.db2.gz NUQYUHVYXTXMHS-LLVKDONJSA-N 1 3 319.427 -0.657 20 0 DBADHO COC(=O)CCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238242227 834350409 /nfs/dbraw/zinc/35/04/09/834350409.db2.gz NUQYUHVYXTXMHS-LLVKDONJSA-N 1 3 319.427 -0.657 20 0 DBADHO COC(=O)CCNC(=S)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363432 834395711 /nfs/dbraw/zinc/39/57/11/834395711.db2.gz NCAHBAQYVWNSKA-LLVKDONJSA-N 1 3 314.455 -0.112 20 0 DBADHO COC(=O)CNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239364238 834396327 /nfs/dbraw/zinc/39/63/27/834396327.db2.gz URQFZIHJECNFJD-JTQLQIEISA-N 1 3 300.428 -0.502 20 0 DBADHO COC(=O)[C@H]1CNCCN1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246023169 834409947 /nfs/dbraw/zinc/40/99/47/834409947.db2.gz MBCUTSYISRQSPL-RRFJBIMHSA-N 1 3 307.394 -0.636 20 0 DBADHO O=C1C[C@@H]2[NH2+]CC[C@@]2(NC2CCC(N3CCOCC3)CC2)N1 ZINC001246152869 834421154 /nfs/dbraw/zinc/42/11/54/834421154.db2.gz QTQUYMQQYZKJDR-VKJZCYHPSA-N 1 3 308.426 -0.203 20 0 DBADHO CC(C)(C)OC(=O)[C@@H]1C[C@H](NCCOCCOCC[NH3+])CN1 ZINC001246283845 834427110 /nfs/dbraw/zinc/42/71/10/834427110.db2.gz JXEIPWVOTMKOKA-STQMWFEESA-N 1 3 317.430 -0.360 20 0 DBADHO COC(=O)[C@H](N)CCNC1C[C@H]2CC(C(=O)OC)C[C@@H](C1)[NH2+]2 ZINC001246333682 834430407 /nfs/dbraw/zinc/43/04/07/834430407.db2.gz LMMAATJEJQCPEP-UDSBESMDSA-N 1 3 313.398 -0.461 20 0 DBADHO CCOC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CCN1 ZINC001246414479 834434470 /nfs/dbraw/zinc/43/44/70/834434470.db2.gz ICIYNUVBABIXGE-SRVKXCTJSA-N 1 3 300.403 -0.757 20 0 DBADHO CC(C)(C)OC(=O)[C@@H]1C[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246403249 834434626 /nfs/dbraw/zinc/43/46/26/834434626.db2.gz DKAXRWOFRPYZGM-WOPDTQHZSA-N 1 3 314.430 -0.369 20 0 DBADHO CN(C[C@@H]1CNCCO1)[C@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1 ZINC001246551068 834440469 /nfs/dbraw/zinc/44/04/69/834440469.db2.gz OUWFAYBEAYDXLV-AGIUHOORSA-N 1 3 314.455 -0.830 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001192946690 834445797 /nfs/dbraw/zinc/44/57/97/834445797.db2.gz DGKVKRYABQYYCT-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001192946690 834445802 /nfs/dbraw/zinc/44/58/02/834445802.db2.gz DGKVKRYABQYYCT-CQSZACIVSA-N 1 3 301.431 -0.130 20 0 DBADHO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@@H+](C1CCNCC1)C2 ZINC001246727507 834451132 /nfs/dbraw/zinc/45/11/32/834451132.db2.gz QJMYLUORXVQBLY-CJNGLKHVSA-N 1 3 311.426 -0.208 20 0 DBADHO CN(C)C(=O)COC[C@]12COC[C@H]1C[N@H+](C1CCNCC1)C2 ZINC001246727507 834451135 /nfs/dbraw/zinc/45/11/35/834451135.db2.gz QJMYLUORXVQBLY-CJNGLKHVSA-N 1 3 311.426 -0.208 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001193103002 834462437 /nfs/dbraw/zinc/46/24/37/834462437.db2.gz OHHGAEAZNLHWOL-KBUPBQIOSA-N 1 3 313.442 -0.086 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193103002 834462441 /nfs/dbraw/zinc/46/24/41/834462441.db2.gz OHHGAEAZNLHWOL-KBUPBQIOSA-N 1 3 313.442 -0.086 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCC[NH2+]C[C@@H]1F)O3 ZINC001247007118 834467842 /nfs/dbraw/zinc/46/78/42/834467842.db2.gz BMVHJEYRDIYHBY-MOLYVOAJSA-N 1 3 319.402 -0.779 20 0 DBADHO C[C@@H]1CC[C@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)C[NH2+]1 ZINC001247008762 834468133 /nfs/dbraw/zinc/46/81/33/834468133.db2.gz LFWASBSXSXDHQI-FHUSYTEZSA-N 1 3 301.412 -0.728 20 0 DBADHO CC1(C)C[C@@H](N2C[C@@]34CNC[C@@H](C[C@@H]3S2(=O)=O)O4)CC[NH2+]1 ZINC001247007877 834468222 /nfs/dbraw/zinc/46/82/22/834468222.db2.gz HEYCQMKWCNHDRD-OPDFLTKYSA-N 1 3 315.439 -0.338 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[NH2+]CC[C@@H]1F)O3 ZINC001247013797 834469079 /nfs/dbraw/zinc/46/90/79/834469079.db2.gz YVEFLIQCIFVHDS-MOLYVOAJSA-N 1 3 319.402 -0.779 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[NH2+]CCC12CC2)O3 ZINC001247010267 834469194 /nfs/dbraw/zinc/46/91/94/834469194.db2.gz UAKLAKLHYYHIJD-UHXUPSOCSA-N 1 3 313.423 -0.727 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247013838 834469317 /nfs/dbraw/zinc/46/93/17/834469317.db2.gz ZNCMASBDUVFVBG-KVSVUVNWSA-N 1 3 301.412 -0.871 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCCC[NH2+]C1)O3 ZINC001247013772 834469454 /nfs/dbraw/zinc/46/94/54/834469454.db2.gz YEWGRXZYURQAIO-NDBYEHHHSA-N 1 3 301.412 -0.727 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CC[NH2+]CC[C@H]1F)O3 ZINC001247013794 834469562 /nfs/dbraw/zinc/46/95/62/834469562.db2.gz YVEFLIQCIFVHDS-BNDIWNMDSA-N 1 3 319.402 -0.779 20 0 DBADHO C[C@H]1CC[NH2+]CC[C@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247012552 834469598 /nfs/dbraw/zinc/46/95/98/834469598.db2.gz UGMJJISNTSSCLS-ZSLBOAEBSA-N 1 3 315.439 -0.481 20 0 DBADHO [NH3+]CCNC(=O)/C=C/c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001247637978 834472205 /nfs/dbraw/zinc/47/22/05/834472205.db2.gz NJEVGSYPZISJJL-ONEGZZNKSA-N 1 3 314.349 -0.135 20 0 DBADHO NC(=O)[C@@H](N)CCc1nc(-c2ccc3c(n2)CC[NH2+]C3)no1 ZINC001249291645 834476408 /nfs/dbraw/zinc/47/64/08/834476408.db2.gz VXSWCXCPPNLBMT-VIFPVBQESA-N 1 3 302.338 -0.478 20 0 DBADHO CCN1CCO[C@@H]2C[N@H+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251016429 834484117 /nfs/dbraw/zinc/48/41/17/834484117.db2.gz JUCAWAAZHOSABP-ARFHVFGLSA-N 1 3 313.442 -0.668 20 0 DBADHO CCN1CCO[C@@H]2C[N@@H+](C[C@H](O)CN3CCOCC3)C[C@@H]2C1 ZINC001251016429 834484120 /nfs/dbraw/zinc/48/41/20/834484120.db2.gz JUCAWAAZHOSABP-ARFHVFGLSA-N 1 3 313.442 -0.668 20 0 DBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193464062 834498845 /nfs/dbraw/zinc/49/88/45/834498845.db2.gz ZYNOOUXBOSRXGY-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCOCCO)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193464062 834498851 /nfs/dbraw/zinc/49/88/51/834498851.db2.gz ZYNOOUXBOSRXGY-LSDHHAIUSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCOCCO)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193464060 834499786 /nfs/dbraw/zinc/49/97/86/834499786.db2.gz ZYNOOUXBOSRXGY-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO CN(CCOCCO)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193464060 834499793 /nfs/dbraw/zinc/49/97/93/834499793.db2.gz ZYNOOUXBOSRXGY-GJZGRUSLSA-N 1 3 313.442 -0.130 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001193640261 834519137 /nfs/dbraw/zinc/51/91/37/834519137.db2.gz FCGBEAVHEQOSNV-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001193640261 834519143 /nfs/dbraw/zinc/51/91/43/834519143.db2.gz FCGBEAVHEQOSNV-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194009959 834558240 /nfs/dbraw/zinc/55/82/40/834558240.db2.gz HBOAJTMHLSUVCB-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194009959 834558248 /nfs/dbraw/zinc/55/82/48/834558248.db2.gz HBOAJTMHLSUVCB-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO COC(=O)[C@@H](N)CCCNC(=[NH2+])N[C@@H]1CC2CCN(CC2)C1 ZINC001254838597 834602710 /nfs/dbraw/zinc/60/27/10/834602710.db2.gz GPEPPZHYZXADAO-OLZOCXBDSA-N 1 3 311.430 -0.135 20 0 DBADHO OC[C@H]1C[C@@H]([NH2+]C2CCC(N3CCOCC3)CC2)[C@H](O)[C@@H]1O ZINC001256679079 834632564 /nfs/dbraw/zinc/63/25/64/834632564.db2.gz BOOMBSRHOMVMCB-YAGDOGMWSA-N 1 3 314.426 -0.678 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@H]3CCOC3)C[C@H]2O)CC1 ZINC001195677577 834714708 /nfs/dbraw/zinc/71/47/08/834714708.db2.gz SXLDHFFXYGVFRQ-MGPQQGTHSA-N 1 3 311.426 -0.474 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC[C@@H]2CCOC2)C[C@H]1O ZINC001195859147 834731223 /nfs/dbraw/zinc/73/12/23/834731223.db2.gz FTRPLNGITUWEJB-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO CCO[C@H](CN1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1)C1CC1 ZINC001195859665 834731642 /nfs/dbraw/zinc/73/16/42/834731642.db2.gz MZDGZNXNJSKACU-RBSFLKMASA-N 1 3 313.442 -0.086 20 0 DBADHO N=C(N)N(CCCC[NH3+])C(=O)c1ccncc1N1CCOCC1 ZINC001198215813 834933065 /nfs/dbraw/zinc/93/30/65/834933065.db2.gz HWMOHZDBHQUYFF-UHFFFAOYSA-N 1 3 320.397 -0.007 20 0 DBADHO CN1CCN(CCCCNC(=O)C[C@@]2(O)CCC[NH2+]C2)CC1 ZINC001263103370 834973202 /nfs/dbraw/zinc/97/32/02/834973202.db2.gz XJEQUTDMBYONEA-INIZCTEOSA-N 1 3 312.458 -0.365 20 0 DBADHO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(CCCCCO)CC1 ZINC001263871007 834993918 /nfs/dbraw/zinc/99/39/18/834993918.db2.gz OLDZPBPMOHAOQD-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(CCCCCO)CC1 ZINC001263871007 834993923 /nfs/dbraw/zinc/99/39/23/834993923.db2.gz OLDZPBPMOHAOQD-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO CCO[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C[NH2+]CCO ZINC001264533423 835035012 /nfs/dbraw/zinc/03/50/12/835035012.db2.gz GPXHUUFSHCEERI-RRFJBIMHSA-N 1 3 313.442 -0.226 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCCN2CCN(CCO)CC2)CC[N@@H+]1C ZINC001265243459 835113576 /nfs/dbraw/zinc/11/35/76/835113576.db2.gz SIQAUBSHZOSYQV-HUUCEWRRSA-N 1 3 312.458 -0.557 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCCN2CCN(CCO)CC2)CC[N@H+]1C ZINC001265243459 835113577 /nfs/dbraw/zinc/11/35/77/835113577.db2.gz SIQAUBSHZOSYQV-HUUCEWRRSA-N 1 3 312.458 -0.557 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC[N@@H+]1C ZINC001200537919 835135366 /nfs/dbraw/zinc/13/53/66/835135366.db2.gz VOTOIPSRNHEYGO-JHJVBQTASA-N 1 3 312.414 -0.981 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCCO[C@H](CNCC(N)=O)C2)CC[N@H+]1C ZINC001200537919 835135371 /nfs/dbraw/zinc/13/53/71/835135371.db2.gz VOTOIPSRNHEYGO-JHJVBQTASA-N 1 3 312.414 -0.981 20 0 DBADHO NC(=O)CNC[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCCO1 ZINC001200528696 835135470 /nfs/dbraw/zinc/13/54/70/835135470.db2.gz MNYHUABRMWLFKI-KGLIPLIRSA-N 1 3 324.425 -0.979 20 0 DBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC001200657968 835143936 /nfs/dbraw/zinc/14/39/36/835143936.db2.gz FWFVEMUNGKWRLN-KBPBESRZSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001265496358 835148013 /nfs/dbraw/zinc/14/80/13/835148013.db2.gz RLJHQVRWWSTPNX-KKOKHZNYSA-N 1 3 310.398 -0.631 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001265504651 835148836 /nfs/dbraw/zinc/14/88/36/835148836.db2.gz DCVMDCQZZARYQA-SRVKXCTJSA-N 1 3 310.398 -0.630 20 0 DBADHO NC(=O)CNC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCCO1 ZINC001200887525 835158568 /nfs/dbraw/zinc/15/85/68/835158568.db2.gz NEYUZPRKZMHVAO-ZDUSSCGKSA-N 1 3 324.425 -0.693 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201277388 835180589 /nfs/dbraw/zinc/18/05/89/835180589.db2.gz QRIYWEGAPXSMCU-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201277387 835180636 /nfs/dbraw/zinc/18/06/36/835180636.db2.gz QRIYWEGAPXSMCU-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1 ZINC001201336285 835183426 /nfs/dbraw/zinc/18/34/26/835183426.db2.gz UCWXQTPZLLZDJP-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[C@@H](C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1)N(C)C ZINC001201410296 835189163 /nfs/dbraw/zinc/18/91/63/835189163.db2.gz FZPZVWOSKTWBRF-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001201808381 835210461 /nfs/dbraw/zinc/21/04/61/835210461.db2.gz CMNXQPHECJVESF-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001201808381 835210471 /nfs/dbraw/zinc/21/04/71/835210471.db2.gz CMNXQPHECJVESF-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H](NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1)C(N)=O ZINC001201871156 835215142 /nfs/dbraw/zinc/21/51/42/835215142.db2.gz GTYPLSRHRUBTBA-CHWSQXEVSA-N 1 3 324.425 -0.837 20 0 DBADHO C[NH+](C)CCOCC(=O)N1CCCO[C@H](CNCCF)C1 ZINC001201863667 835215199 /nfs/dbraw/zinc/21/51/99/835215199.db2.gz OUOFEOJNKGTAOV-CYBMUJFWSA-N 1 3 305.394 -0.259 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CCCO[C@H](CNCC(N)=O)C1 ZINC001201908289 835218246 /nfs/dbraw/zinc/21/82/46/835218246.db2.gz KYDGIBAJLOUNBU-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001202163990 835236023 /nfs/dbraw/zinc/23/60/23/835236023.db2.gz LDAXUPWECAWSPX-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@H](CCNC(=O)CN(C)C1CCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001266149315 835238371 /nfs/dbraw/zinc/23/83/71/835238371.db2.gz UKICGPBSOMQERU-DGCLKSJQSA-N 1 3 324.425 -0.240 20 0 DBADHO CC[C@@H](C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1)N(C)C ZINC001202532298 835253022 /nfs/dbraw/zinc/25/30/22/835253022.db2.gz WXNQKLFWMPTUOA-NSHDSACASA-N 1 3 313.402 -0.898 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001203925097 835311413 /nfs/dbraw/zinc/31/14/13/835311413.db2.gz KOVOFEGLHZJLQY-CYBMUJFWSA-N 1 3 324.425 -0.288 20 0 DBADHO COC[C@H](O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001204794276 835327691 /nfs/dbraw/zinc/32/76/91/835327691.db2.gz ZYIVMRKPOKFULE-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO NC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001205345789 835340531 /nfs/dbraw/zinc/34/05/31/835340531.db2.gz YKKHJFQMKOAYFA-ZIAGYGMSSA-N 1 3 324.425 -0.837 20 0 DBADHO CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702362 835363247 /nfs/dbraw/zinc/36/32/47/835363247.db2.gz YRQXLSMUMDUPQG-QWHCGFSZSA-N 1 3 322.409 -0.819 20 0 DBADHO CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266702361 835363651 /nfs/dbraw/zinc/36/36/51/835363651.db2.gz YRQXLSMUMDUPQG-OLZOCXBDSA-N 1 3 322.409 -0.819 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CC[C@@H](F)[C@@H](N)CC2)O1 ZINC001206156353 835381317 /nfs/dbraw/zinc/38/13/17/835381317.db2.gz QIEGMLHHVBUFDX-RXGFPQBGSA-N 1 3 306.378 -0.379 20 0 DBADHO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CC[C@@H](F)[C@@H](N)CC2)O1 ZINC001206156353 835381324 /nfs/dbraw/zinc/38/13/24/835381324.db2.gz QIEGMLHHVBUFDX-RXGFPQBGSA-N 1 3 306.378 -0.379 20 0 DBADHO CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H](N)[C@@H](F)CC3)[C@@H](O)[C@@H]2O1 ZINC001206154146 835382057 /nfs/dbraw/zinc/38/20/57/835382057.db2.gz GWAPLXHCNJPYSV-FQIARQCESA-N 1 3 304.362 -0.015 20 0 DBADHO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H](N)[C@@H](F)CC3)[C@@H](O)[C@@H]2O1 ZINC001206154146 835382066 /nfs/dbraw/zinc/38/20/66/835382066.db2.gz GWAPLXHCNJPYSV-FQIARQCESA-N 1 3 304.362 -0.015 20 0 DBADHO CN(CCNCC(=O)N(C)CC1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001266989148 835422947 /nfs/dbraw/zinc/42/29/47/835422947.db2.gz TXYQSDXNZSFKMK-UHFFFAOYSA-N 1 3 322.453 -0.001 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001267372444 835496613 /nfs/dbraw/zinc/49/66/13/835496613.db2.gz QBJNNAHXCVMQTP-CHWSQXEVSA-N 1 3 324.425 -0.288 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CCN[C@@H]1CCC(=O)NC1=O ZINC001267372444 835496619 /nfs/dbraw/zinc/49/66/19/835496619.db2.gz QBJNNAHXCVMQTP-CHWSQXEVSA-N 1 3 324.425 -0.288 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCNC(=O)C1CC1 ZINC001268524882 835717085 /nfs/dbraw/zinc/71/70/85/835717085.db2.gz WKURXPIVHHXVHV-PYLYLYNFSA-N 1 3 308.426 -0.131 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@H]2CCCNC2=O)CC[N@@H+]1C ZINC001268542943 835724721 /nfs/dbraw/zinc/72/47/21/835724721.db2.gz SSHJKOREEKDJCX-DGIMOEDKSA-N 1 3 308.426 -0.133 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@H]2CCCNC2=O)CC[N@H+]1C ZINC001268542943 835724726 /nfs/dbraw/zinc/72/47/26/835724726.db2.gz SSHJKOREEKDJCX-DGIMOEDKSA-N 1 3 308.426 -0.133 20 0 DBADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CCN1C(=O)CCC1=O ZINC001268624683 835757390 /nfs/dbraw/zinc/75/73/90/835757390.db2.gz FGVBGSNDSUQXLJ-UPHRSURJSA-N 1 3 322.409 -0.507 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001485218885 1013058889 /nfs/dbraw/zinc/05/88/89/1013058889.db2.gz XTXGDRSRCIHCCS-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485615233 1013297162 /nfs/dbraw/zinc/29/71/62/1013297162.db2.gz YUFBXLCSSOKGPB-SYQHCUMBSA-N 1 3 310.442 -0.243 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001485954916 1013446154 /nfs/dbraw/zinc/44/61/54/1013446154.db2.gz AUFMAILTCLBZQP-VXGBXAGGSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001485954916 1013446169 /nfs/dbraw/zinc/44/61/69/1013446169.db2.gz AUFMAILTCLBZQP-VXGBXAGGSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCc2ccnn2C)C1 ZINC001486033530 1013598491 /nfs/dbraw/zinc/59/84/91/1013598491.db2.gz ITEURANVCGCYLV-ZIAGYGMSSA-N 1 3 323.441 -0.629 20 0 DBADHO C[C@H](O)C[NH2+][C@H](CO)CNC(=O)c1cccc(CN(C)C)c1 ZINC001486066164 1013650737 /nfs/dbraw/zinc/65/07/37/1013650737.db2.gz NDGHWIGELDORFK-WFASDCNBSA-N 1 3 309.410 -0.191 20 0 DBADHO C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001486312220 1013806412 /nfs/dbraw/zinc/80/64/12/1013806412.db2.gz SOHXYCATDQKJOO-VXGBXAGGSA-N 1 3 316.446 -0.753 20 0 DBADHO CC[N@@H+]1CC[C@H](NC[C@]23COCCN2C(=O)COC3)[C@@H](C)C1 ZINC000866554706 977408264 /nfs/dbraw/zinc/40/82/64/977408264.db2.gz ISHVSMOGYYEYNB-OFQRWUPVSA-N 1 3 311.426 -0.066 20 0 DBADHO CC[N@H+]1CC[C@H](NC[C@]23COCCN2C(=O)COC3)[C@@H](C)C1 ZINC000866554706 977408274 /nfs/dbraw/zinc/40/82/74/977408274.db2.gz ISHVSMOGYYEYNB-OFQRWUPVSA-N 1 3 311.426 -0.066 20 0 DBADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051931389 977563704 /nfs/dbraw/zinc/56/37/04/977563704.db2.gz ZOSMCASYBMFTPZ-UKRRQHHQSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1nccc1CNC[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931389 977563714 /nfs/dbraw/zinc/56/37/14/977563714.db2.gz ZOSMCASYBMFTPZ-UKRRQHHQSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051931086 977565180 /nfs/dbraw/zinc/56/51/80/977565180.db2.gz SUGIIVASVJCLMS-CABCVRRESA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cc(CNC[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051931086 977565190 /nfs/dbraw/zinc/56/51/90/977565190.db2.gz SUGIIVASVJCLMS-CABCVRRESA-N 1 3 321.425 -0.311 20 0 DBADHO CN(CCNC(=O)C[C@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001528431936 1014412999 /nfs/dbraw/zinc/41/29/99/1014412999.db2.gz OAHYJNKLKSUXTQ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001528431936 1014413010 /nfs/dbraw/zinc/41/30/10/1014413010.db2.gz OAHYJNKLKSUXTQ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(N[C@@H]1CCC[N@@H+](CCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001052572864 977767916 /nfs/dbraw/zinc/76/79/16/977767916.db2.gz QPQPJUPHFUPVMT-GYMHETDLSA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(N[C@@H]1CCC[N@H+](CCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001052572864 977767927 /nfs/dbraw/zinc/76/79/27/977767927.db2.gz QPQPJUPHFUPVMT-GYMHETDLSA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(N[C@H]1CCC[N@@H+](CCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001052572726 977768871 /nfs/dbraw/zinc/76/88/71/977768871.db2.gz QPQPJUPHFUPVMT-GWUWNPHMSA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(N[C@H]1CCC[N@H+](CCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001052572726 977768891 /nfs/dbraw/zinc/76/88/91/977768891.db2.gz QPQPJUPHFUPVMT-GWUWNPHMSA-N 1 3 323.437 -0.187 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(C(=O)C(F)(F)F)CC1 ZINC001157969191 978155010 /nfs/dbraw/zinc/15/50/10/978155010.db2.gz JINWTVLUTHDCCB-VIFPVBQESA-N 1 3 310.320 -0.324 20 0 DBADHO CNC(=O)CN1CCO[C@H]2CN(CCC3CC[NH+](C)CC3)C[C@H]21 ZINC001207483577 978202794 /nfs/dbraw/zinc/20/27/94/978202794.db2.gz WVKDDQODTPZUON-CVEARBPZSA-N 1 3 324.469 -0.151 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N(C)C)C2)CC[N@@H+]1C ZINC001208070900 978313611 /nfs/dbraw/zinc/31/36/11/978313611.db2.gz TZYKBZVYYWQKBK-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)N2CCC[C@H](NCC(=O)N(C)C)C2)CC[N@H+]1C ZINC001208070900 978313624 /nfs/dbraw/zinc/31/36/24/978313624.db2.gz TZYKBZVYYWQKBK-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1 ZINC001208262204 978329235 /nfs/dbraw/zinc/32/92/35/978329235.db2.gz ZSZPDVTWORHQTM-QWHCGFSZSA-N 1 3 316.421 -0.007 20 0 DBADHO CN(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1)C1CC1 ZINC001208335395 978346890 /nfs/dbraw/zinc/34/68/90/978346890.db2.gz SWWZTYQSMWNZQN-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001208414494 978363758 /nfs/dbraw/zinc/36/37/58/978363758.db2.gz RCYGTABBYQFWTP-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CN1CC2(C1)CC[NH+](C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)CC2 ZINC001209277352 978439520 /nfs/dbraw/zinc/43/95/20/978439520.db2.gz KNXAXDGDSJFSTL-HZSPNIEDSA-N 1 3 314.426 -0.113 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001209302971 978447620 /nfs/dbraw/zinc/44/76/20/978447620.db2.gz IATXGJPOISKSEU-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](N[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209447389 978454990 /nfs/dbraw/zinc/45/49/90/978454990.db2.gz ZQZSWXISFKKEMT-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO C[NH+](C)CCC(=O)N1CCC[C@@H](NCCS(C)(=O)=O)C1 ZINC001209445553 978455177 /nfs/dbraw/zinc/45/51/77/978455177.db2.gz NHLODCZOBWOQJO-GFCCVEGCSA-N 1 3 305.444 -0.437 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001209642022 978468999 /nfs/dbraw/zinc/46/89/99/978468999.db2.gz KXTLAYADXUXONP-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)CN1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210329496 978508431 /nfs/dbraw/zinc/50/84/31/978508431.db2.gz AGBBOVYZLRYZJT-MGPQQGTHSA-N 1 3 311.426 -0.474 20 0 DBADHO CCNC(=O)CN[C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210685794 978528562 /nfs/dbraw/zinc/52/85/62/978528562.db2.gz ZQNVFXQHWITSLD-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001210811188 978533685 /nfs/dbraw/zinc/53/36/85/978533685.db2.gz KWKSEGWEDHWUME-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001211276630 978562475 /nfs/dbraw/zinc/56/24/75/978562475.db2.gz INEPXSUANDYKJU-AWEZNQCLSA-N 1 3 301.431 -0.084 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)CN(C)C(C)C)C1 ZINC001211275983 978562965 /nfs/dbraw/zinc/56/29/65/978562965.db2.gz CWBNDCHIERVYSP-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001211276631 978563309 /nfs/dbraw/zinc/56/33/09/978563309.db2.gz INEPXSUANDYKJU-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)N(C)C ZINC001214645729 978747515 /nfs/dbraw/zinc/74/75/15/978747515.db2.gz GRVJEFVEMUESSM-BPLDGKMQSA-N 1 3 322.453 -0.147 20 0 DBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214861234 978754420 /nfs/dbraw/zinc/75/44/20/978754420.db2.gz MCNDTMOGBRXVAW-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001216511197 978788117 /nfs/dbraw/zinc/78/81/17/978788117.db2.gz MIVMQFVAIQFSOT-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO COC[C@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852341 978795693 /nfs/dbraw/zinc/79/56/93/978795693.db2.gz VBIJKUHRSSBDNZ-MGPQQGTHSA-N 1 3 301.431 -0.230 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2C[NH2+][C@@H]3CCCO[C@@H]32)cc1 ZINC001218167159 978821102 /nfs/dbraw/zinc/82/11/02/978821102.db2.gz WGXBEYSEMLZKBO-XGUBFFRZSA-N 1 3 305.378 -0.060 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C=CC[NH2+]C1 ZINC001218330513 978822224 /nfs/dbraw/zinc/82/22/24/978822224.db2.gz FXGGWHUNEUXFTR-VIFPVBQESA-N 1 3 322.365 -0.333 20 0 DBADHO COc1ccc2nc(NC(=O)[C@H]3C[NH2+]CC34CNC4)nnc2c1 ZINC001218512270 978826523 /nfs/dbraw/zinc/82/65/23/978826523.db2.gz HYMCKZHYVDYIAY-SNVBAGLBSA-N 1 3 314.349 -0.219 20 0 DBADHO CN1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])CN3)nc2)CC1 ZINC001218515230 978827074 /nfs/dbraw/zinc/82/70/74/978827074.db2.gz CZGURVAXYXUNKN-YPMHNXCESA-N 1 3 304.398 -0.539 20 0 DBADHO O=C(Nc1csc(N2CCOCC2)n1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218623120 978838389 /nfs/dbraw/zinc/83/83/89/978838389.db2.gz ZRDZUDVQEIVOMS-JTQLQIEISA-N 1 3 323.422 -0.273 20 0 DBADHO N[C@H]1CCCCN(CC(=O)Nc2cnn(C3C[NH2+]C3)c2)C1=O ZINC001218641839 978841324 /nfs/dbraw/zinc/84/13/24/978841324.db2.gz XIZDWKMQJCFWSS-LBPRGKRZSA-N 1 3 306.370 -0.694 20 0 DBADHO CCOC(=O)c1ncncc1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001218679513 978843755 /nfs/dbraw/zinc/84/37/55/978843755.db2.gz ULPXKEJNMVKUPS-LLVKDONJSA-N 1 3 307.354 -0.081 20 0 DBADHO CCOC(=O)c1ncncc1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001218679151 978844304 /nfs/dbraw/zinc/84/43/04/978844304.db2.gz OOODDNVPMBOONV-MEBBXXQBSA-N 1 3 319.365 -0.209 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)Nc2cncc(C[NH3+])c2)COC1(C)C ZINC001218705733 978846414 /nfs/dbraw/zinc/84/64/14/978846414.db2.gz ZOPNTKLEKWQJRM-CABZTGNLSA-N 1 3 321.381 -0.211 20 0 DBADHO O=C(Nc1ncccc1N1CCOCC1)[C@@H]1C[NH2+]CC12CNC2 ZINC001218712879 978846523 /nfs/dbraw/zinc/84/65/23/978846523.db2.gz KQPLZOOOKRZDBD-LBPRGKRZSA-N 1 3 317.393 -0.334 20 0 DBADHO COC[C@H](C)Oc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)[nH]n1 ZINC001218719984 978847716 /nfs/dbraw/zinc/84/77/16/978847716.db2.gz VYRDMBCQIYBAQT-FIXISWKDSA-N 1 3 323.397 -0.039 20 0 DBADHO CCOC(=O)c1ncc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001218757816 978851032 /nfs/dbraw/zinc/85/10/32/978851032.db2.gz XDDCWHHMJLZIFS-JTQLQIEISA-N 1 3 305.338 -0.599 20 0 DBADHO Cc1ccc2c(c1NC(=O)[C@@H]1C[NH2+]CC13CNC3)CNC2=O ZINC001218820281 978855225 /nfs/dbraw/zinc/85/52/25/978855225.db2.gz SXUGTNBRKSDYFT-LBPRGKRZSA-N 1 3 300.362 -0.014 20 0 DBADHO Nc1ccc(COCCO)c(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001218917559 978859517 /nfs/dbraw/zinc/85/95/17/978859517.db2.gz NHTUAORXCWDTJK-ZDUSSCGKSA-N 1 3 320.393 -0.475 20 0 DBADHO Nc1ccc(COCCO)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218917556 978859794 /nfs/dbraw/zinc/85/97/94/978859794.db2.gz NHTUAORXCWDTJK-CYBMUJFWSA-N 1 3 320.393 -0.475 20 0 DBADHO O=C(Nc1ccc2c(c1)CCNC2=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218934289 978861064 /nfs/dbraw/zinc/86/10/64/978861064.db2.gz AJXDFFWJWIZELY-CYBMUJFWSA-N 1 3 300.362 -0.280 20 0 DBADHO O=C(Nc1ccc2c(c1)CNCCO2)[C@H]1NC(=O)CC12C[NH2+]C2 ZINC001219028021 978864451 /nfs/dbraw/zinc/86/44/51/978864451.db2.gz LSVYAGJKKKSNDK-CQSZACIVSA-N 1 3 316.361 -0.415 20 0 DBADHO O=C(Nc1ccc2c(c1)[nH]c(=O)[nH]c2=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218991069 978864482 /nfs/dbraw/zinc/86/44/82/978864482.db2.gz OXVFKFUVTZLXES-SNVBAGLBSA-N 1 3 315.333 -0.212 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc2c1[C@H]1C[NH2+]C[C@@H]1O2 ZINC001219538421 978961319 /nfs/dbraw/zinc/96/13/19/978961319.db2.gz YVGSXSFTQHPXNV-YVNDNENWSA-N 1 3 318.377 -0.075 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573698 978970189 /nfs/dbraw/zinc/97/01/89/978970189.db2.gz RFBOYKBLZMYISS-ZDUSSCGKSA-N 1 3 314.430 -0.589 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611524 978978457 /nfs/dbraw/zinc/97/84/57/978978457.db2.gz ZFXWSDVQIPMYPV-JOYOIKCWSA-N 1 3 324.347 -0.113 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611156 978978695 /nfs/dbraw/zinc/97/86/95/978978695.db2.gz WROIBCSFPYPVQR-XVKPBYJWSA-N 1 3 311.308 -0.827 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219609942 978979585 /nfs/dbraw/zinc/97/95/85/978979585.db2.gz IEBGXVSVDBLXOQ-ONGXEEELSA-N 1 3 305.304 -0.300 20 0 DBADHO C[C@@H]1C[NH2+]C[C@@H](CNC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001219641227 978987825 /nfs/dbraw/zinc/98/78/25/978987825.db2.gz GQZPNTHRSFNCFX-SRVKXCTJSA-N 1 3 315.439 -0.875 20 0 DBADHO COC(=O)c1csc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001219667386 978989113 /nfs/dbraw/zinc/98/91/13/978989113.db2.gz YBSKGSRAEUITOF-QMMMGPOBSA-N 1 3 310.379 -0.645 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219706270 978997394 /nfs/dbraw/zinc/99/73/94/978997394.db2.gz ZUXXGTYAOMWMFF-QWRGUYRKSA-N 1 3 304.394 -0.200 20 0 DBADHO CS(=O)(=O)c1ccc(CNC(=O)[C@H](N)CCC[NH3+])nc1 ZINC001219716405 978999876 /nfs/dbraw/zinc/99/98/76/978999876.db2.gz MVQSYZSLOSPXME-LLVKDONJSA-N 1 3 300.384 -0.833 20 0 DBADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001219737342 979003030 /nfs/dbraw/zinc/00/30/30/979003030.db2.gz UBKIKHCLWVBGRU-HEHGZKQESA-N 1 3 309.410 -0.360 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)NC[C@@H]2CC3(C[NH2+]C3)CO2)cn1 ZINC001219737228 979003413 /nfs/dbraw/zinc/00/34/13/979003413.db2.gz QVNLAOCDJLXRPU-STQMWFEESA-N 1 3 320.393 -0.025 20 0 DBADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001219737341 979003539 /nfs/dbraw/zinc/00/35/39/979003539.db2.gz UBKIKHCLWVBGRU-DVOMOZLQSA-N 1 3 309.410 -0.360 20 0 DBADHO N[C@H](Cc1c[nH]cn1)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741827 979004404 /nfs/dbraw/zinc/00/44/04/979004404.db2.gz VNRUCFOPLRVGDW-QWHCGFSZSA-N 1 3 307.398 -0.303 20 0 DBADHO N[C@H](Cc1cnc[nH]1)C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219741827 979004411 /nfs/dbraw/zinc/00/44/11/979004411.db2.gz VNRUCFOPLRVGDW-QWHCGFSZSA-N 1 3 307.398 -0.303 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NCC[C@@H]1C[NH2+]Cc2cccn2C1 ZINC001219791764 979017134 /nfs/dbraw/zinc/01/71/34/979017134.db2.gz UUDZZOXCWFHZME-RWMBFGLXSA-N 1 3 321.425 -0.434 20 0 DBADHO O=C(NCC[C@@H]1CCOC12C[NH2+]C2)c1[nH]nc2c1CNCC2 ZINC001219803279 979018646 /nfs/dbraw/zinc/01/86/46/979018646.db2.gz PECWBGFNFVTELB-SNVBAGLBSA-N 1 3 305.382 -0.446 20 0 DBADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)[C@@H]1CNCc2ccnn2C1 ZINC001219801417 979019392 /nfs/dbraw/zinc/01/93/92/979019392.db2.gz ZIYBOHFCDGKWFM-OLZOCXBDSA-N 1 3 319.409 -0.513 20 0 DBADHO O=C(NCc1noc2c1CNCC2)c1noc2c1C[NH2+]CC2 ZINC001219813590 979025223 /nfs/dbraw/zinc/02/52/23/979025223.db2.gz WABFMNBPVWMJFW-UHFFFAOYSA-N 1 3 303.322 -0.116 20 0 DBADHO O=C(N[C@H]1CCc2[nH]c(=O)ccc2C1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219889901 979039211 /nfs/dbraw/zinc/03/92/11/979039211.db2.gz CCPAPGWDSIQUNN-RYUDHWBXSA-N 1 3 302.378 -0.430 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@H]1CCc2[nH]c(=O)ccc2C1 ZINC001219891492 979039247 /nfs/dbraw/zinc/03/92/47/979039247.db2.gz VSHWWYHOVGSYJD-QWRGUYRKSA-N 1 3 310.423 -0.220 20 0 DBADHO CN1CCN(c2cccc(CNC(=O)CNCCC[NH3+])c2)CC1 ZINC001219961593 979050524 /nfs/dbraw/zinc/05/05/24/979050524.db2.gz PBKMFNCMJHKSQY-UHFFFAOYSA-N 1 3 319.453 -0.007 20 0 DBADHO COC(=O)C1(NC(=O)C[C@@H]2CCNC[C@H]2F)CC[NH2+]CC1 ZINC001220001198 979057734 /nfs/dbraw/zinc/05/77/34/979057734.db2.gz LDNKOHLXRBRSDO-WDEREUQCSA-N 1 3 301.362 -0.265 20 0 DBADHO COC(=O)c1ccnc(CNC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001220037571 979071726 /nfs/dbraw/zinc/07/17/26/979071726.db2.gz GFKYXUHIXLQLOG-MLGOLLRUSA-N 1 3 318.377 -0.317 20 0 DBADHO COC(=O)c1ccnc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)c1 ZINC001220038058 979073644 /nfs/dbraw/zinc/07/36/44/979073644.db2.gz QOJQLGWBWNJRMJ-LBPRGKRZSA-N 1 3 304.350 -0.707 20 0 DBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1[nH]nc2ccccc21 ZINC001220047037 979075806 /nfs/dbraw/zinc/07/58/06/979075806.db2.gz OBMIUOIIUKGMGJ-ZDUSSCGKSA-N 1 3 316.409 -0.071 20 0 DBADHO COC(=O)[C@H](CCSC)NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220079568 979086110 /nfs/dbraw/zinc/08/61/10/979086110.db2.gz REHLCSLZBMVKAU-UHIISALHSA-N 1 3 315.439 -0.404 20 0 DBADHO COC(=O)[C@H](CCSC)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220079327 979087531 /nfs/dbraw/zinc/08/75/31/979087531.db2.gz GZYOVJKACSDSSZ-WDEREUQCSA-N 1 3 303.428 -0.276 20 0 DBADHO COC(=O)[C@H](COC(C)(C)C)NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220088576 979091046 /nfs/dbraw/zinc/09/10/46/979091046.db2.gz HVRNJFDRRCRYOS-NWDGAFQWSA-N 1 3 315.414 -0.214 20 0 DBADHO C[NH2+][C@@H](CCCC[NH3+])C(=O)NCc1c(CO)cnc(C)c1[O-] ZINC001220092998 979093186 /nfs/dbraw/zinc/09/31/86/979093186.db2.gz MMROXRKMQVFLQE-ZDUSSCGKSA-N 1 3 310.398 -0.079 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)CSCC[NH3+])[C@@H](C)OC1 ZINC001220139474 979110218 /nfs/dbraw/zinc/11/02/18/979110218.db2.gz SEHFFIWDYXSOTD-SCZZXKLOSA-N 1 3 317.411 -0.642 20 0 DBADHO COCCC[NH+]1CCC(NC(=O)[C@@H](N)Cc2c[nH]cn2)CC1 ZINC001220200194 979133084 /nfs/dbraw/zinc/13/30/84/979133084.db2.gz CSLKXSPTBYAHIT-AWEZNQCLSA-N 1 3 309.414 -0.103 20 0 DBADHO CCO[C@@H](CN1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1)C1CC1 ZINC001220276909 979152008 /nfs/dbraw/zinc/15/20/08/979152008.db2.gz MZDGZNXNJSKACU-ILXRZTDVSA-N 1 3 313.442 -0.086 20 0 DBADHO C[C@]1(C(=O)NCc2ncn3c2CNCCC3)CC[NH2+]C[C@H]1O ZINC001220311101 979161764 /nfs/dbraw/zinc/16/17/64/979161764.db2.gz KKWALRAFBYZJMK-HIFRSBDPSA-N 1 3 307.398 -0.647 20 0 DBADHO O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)[C@H]1CNCc2ccnn2C1 ZINC001220315686 979163959 /nfs/dbraw/zinc/16/39/59/979163959.db2.gz HAFGVXYXJCCRSA-XEZPLFJOSA-N 1 3 319.409 -0.370 20 0 DBADHO O=C(N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2)c1[nH]nc2c1CCNC2 ZINC001220323208 979166974 /nfs/dbraw/zinc/16/69/74/979166974.db2.gz DJXDHRPDFWBYQR-MEBBXXQBSA-N 1 3 305.382 -0.304 20 0 DBADHO O=C(NCCNC(=O)[C@@H]1C[NH2+]CC12CNC2)Nc1ccccc1 ZINC001220340817 979173192 /nfs/dbraw/zinc/17/31/92/979173192.db2.gz PTQSQBTZGPOXST-ZDUSSCGKSA-N 1 3 317.393 -0.267 20 0 DBADHO C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220333684 979173578 /nfs/dbraw/zinc/17/35/78/979173578.db2.gz XTLILZDOHIHJBO-KGLIPLIRSA-N 1 3 310.442 -0.447 20 0 DBADHO NCc1ccc2c(n1)N(C(=O)[C@H]1COC3(C[NH2+]C3)CN1)CCC2 ZINC001220376963 979178987 /nfs/dbraw/zinc/17/89/87/979178987.db2.gz FSUWOZSKEXWHND-CYBMUJFWSA-N 1 3 317.393 -0.850 20 0 DBADHO [NH3+]CCC[C@H]([NH3+])C(=O)Nc1ncc(Br)[n-]c1=O ZINC001220398896 979189876 /nfs/dbraw/zinc/18/98/76/979189876.db2.gz RJEOORILIINTSA-YFKPBYRVSA-N 1 3 304.148 -0.463 20 0 DBADHO O=C(N[C@@H]1C(=O)NCc2ccccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220403191 979192164 /nfs/dbraw/zinc/19/21/64/979192164.db2.gz JTPJRZAKIUOOJV-HACGYAERSA-N 1 3 314.389 -0.327 20 0 DBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc2n[nH]nc2c1 ZINC001220427077 979197518 /nfs/dbraw/zinc/19/75/18/979197518.db2.gz YJSUXMITMVDYSP-GFCCVEGCSA-N 1 3 317.397 -0.676 20 0 DBADHO CC(C)[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)N1CCOCC1 ZINC001220454426 979203473 /nfs/dbraw/zinc/20/34/73/979203473.db2.gz VEVDVAUJSQVMSF-STQMWFEESA-N 1 3 314.430 -0.558 20 0 DBADHO NC[C@H](N)C(=O)N(C(N)=[NH2+])c1ccc(N2CCOCC2)cc1 ZINC001220460299 979206887 /nfs/dbraw/zinc/20/68/87/979206887.db2.gz HLQWFBKJAFWLIH-LBPRGKRZSA-N 1 3 306.370 -0.964 20 0 DBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@H](N)Cc2c[nH]cn2)O1 ZINC001220481944 979210826 /nfs/dbraw/zinc/21/08/26/979210826.db2.gz WSUZWWLNEPWQGA-HKUMRIAESA-N 1 3 311.386 -0.880 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCN(C)CC[NH3+] ZINC001220517370 979221520 /nfs/dbraw/zinc/22/15/20/979221520.db2.gz IZWLXRSJLBMTEP-NSHDSACASA-N 1 3 302.419 -0.687 20 0 DBADHO CCOC(=O)C1=C(NC(=O)C2=NO[C@@]3(CC[NH2+]C3)C2)CCNC1 ZINC001220521481 979223580 /nfs/dbraw/zinc/22/35/80/979223580.db2.gz HICQKLLWMBAJHT-HNNXBMFYSA-N 1 3 322.365 -0.579 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@]2(C)CC[NH2+]C[C@H]2O)CCNC1 ZINC001220521211 979223923 /nfs/dbraw/zinc/22/39/23/979223923.db2.gz AASLORCFGDQRIP-IUODEOHRSA-N 1 3 311.382 -0.726 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]C[C@H]3CCO[C@H]32)CCNC1 ZINC001220523309 979226158 /nfs/dbraw/zinc/22/61/58/979226158.db2.gz MAROWEBDOWDQSA-MPKXVKKWSA-N 1 3 323.393 -0.462 20 0 DBADHO C[C@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)[C@H](O)c1cccc(O)c1 ZINC001220546399 979230881 /nfs/dbraw/zinc/23/08/81/979230881.db2.gz PIAIGDSESJISRU-GDLCADMTSA-N 1 3 305.378 -0.261 20 0 DBADHO C[NH+](C)CCOCC(=O)N[C@@H]1CN(CCCCCF)C[C@@H]1O ZINC001220768700 979281761 /nfs/dbraw/zinc/28/17/61/979281761.db2.gz ZABMKKOFGIVKRY-KGLIPLIRSA-N 1 3 319.421 -0.134 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220799790 979287505 /nfs/dbraw/zinc/28/75/05/979287505.db2.gz HEPBWVPSGWXHNX-GARJFASQSA-N 1 3 319.331 -0.054 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220804804 979290790 /nfs/dbraw/zinc/29/07/90/979290790.db2.gz PVHKQZVKCNWTBT-JBDRJPRFSA-N 1 3 310.320 -0.505 20 0 DBADHO COC(=O)C[C@@H](NC(=O)[C@H]1C[NH2+]CC12CNC2)c1ccccn1 ZINC001220900525 979317717 /nfs/dbraw/zinc/31/77/17/979317717.db2.gz MAFXWZLGHUGGMN-DGCLKSJQSA-N 1 3 318.377 -0.389 20 0 DBADHO COC(=O)C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)c1ccccn1 ZINC001220900524 979318772 /nfs/dbraw/zinc/31/87/72/979318772.db2.gz MAFXWZLGHUGGMN-AAEUAGOBSA-N 1 3 318.377 -0.389 20 0 DBADHO O=C(NCC1CCN(Cc2ccncc2)CC1)[C@H]1C[NH2+]CCN1 ZINC001220926682 979326057 /nfs/dbraw/zinc/32/60/57/979326057.db2.gz WATTVRYAZJFQDW-MRXNPFEDSA-N 1 3 317.437 -0.029 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)NCC1CCN(c2ncccn2)CC1 ZINC001220929856 979327067 /nfs/dbraw/zinc/32/70/67/979327067.db2.gz HOTKJBAIQQVGNT-CYBMUJFWSA-N 1 3 306.414 -0.125 20 0 DBADHO CC(C)(C)OC(=O)CC[C@@H](N)C(=O)NCCO[C@@H]1CC[NH2+]C1 ZINC001220937556 979334139 /nfs/dbraw/zinc/33/41/39/979334139.db2.gz VCZDTWDWQBGDOU-VXGBXAGGSA-N 1 3 315.414 -0.070 20 0 DBADHO CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001221008285 979349090 /nfs/dbraw/zinc/34/90/90/979349090.db2.gz QCCCMIIGQSCGQB-IHRRRGAJSA-N 1 3 322.453 -0.005 20 0 DBADHO [NH3+]CCN(C(=O)[C@@H]1COC2(CNC2)CN1)c1ccc(F)cc1 ZINC001221060592 979355283 /nfs/dbraw/zinc/35/52/83/979355283.db2.gz GOYDUKWETCQVKU-ZDUSSCGKSA-N 1 3 308.357 -0.552 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)NC1(c2cccnc2)CC[NH2+]CC1 ZINC001221124129 979369637 /nfs/dbraw/zinc/36/96/37/979369637.db2.gz XBRZLLCFGCPXLO-RYUDHWBXSA-N 1 3 319.409 -0.372 20 0 DBADHO O=C(NCc1nc2cc[nH]cc-2n1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221194960 979380302 /nfs/dbraw/zinc/38/03/02/979380302.db2.gz XUIGDZNPMDYSPR-MEBBXXQBSA-N 1 3 300.366 -0.227 20 0 DBADHO COC(=O)[C@@](C)(NC(=O)[C@@H]1C[NH2+]CC12CNC2)C(F)(F)F ZINC001221218962 979384199 /nfs/dbraw/zinc/38/41/99/979384199.db2.gz JXHXSPDLDFXRLR-OIBJUYFYSA-N 1 3 309.288 -0.594 20 0 DBADHO COC(=O)[C@](C)(NC(=O)[C@H](N)C1CC[NH2+]CC1)C(F)(F)F ZINC001221221560 979387548 /nfs/dbraw/zinc/38/75/48/979387548.db2.gz QOGQABBQDQWRIB-KCJUWKMLSA-N 1 3 311.304 -0.077 20 0 DBADHO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221339351 979407703 /nfs/dbraw/zinc/40/77/03/979407703.db2.gz HLNRFHYRAULMCD-QWHCGFSZSA-N 1 3 318.377 -0.909 20 0 DBADHO COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@@H](N)C1CC[NH2+]CC1 ZINC001221339356 979408095 /nfs/dbraw/zinc/40/80/95/979408095.db2.gz HPHSHKXJETVPBC-KGLIPLIRSA-N 1 3 320.393 -0.391 20 0 DBADHO CC(C)(C)[C@H](CN1CCOCC1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001221356399 979408450 /nfs/dbraw/zinc/40/84/50/979408450.db2.gz CRZBYNMDWQCKPA-STQMWFEESA-N 1 3 300.447 -0.084 20 0 DBADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@H](N)CCC[NH3+] ZINC001221356297 979409095 /nfs/dbraw/zinc/40/90/95/979409095.db2.gz CRZBYNMDWQCKPA-CHWSQXEVSA-N 1 3 300.447 -0.084 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@@H]3C[NH2+]CC[C@H]3O)CC2)NC1 ZINC001221390169 979410338 /nfs/dbraw/zinc/41/03/38/979410338.db2.gz BDQCBMLUAOEZAO-UKRRQHHQSA-N 1 3 306.410 -0.475 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3CO[C@@H]4C[NH2+]C[C@H]34)CC2)NC1 ZINC001221390540 979410536 /nfs/dbraw/zinc/41/05/36/979410536.db2.gz DTJMRPMUPAMZND-IJEWVQPXSA-N 1 3 318.421 -0.211 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)C3=NO[C@@H]4C[NH2+]C[C@H]34)CC2)NC1 ZINC001221390584 979411338 /nfs/dbraw/zinc/41/13/38/979411338.db2.gz GLXUHETYEJXBDW-GXTWGEPZSA-N 1 3 317.393 -0.471 20 0 DBADHO CC(=O)O[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221399733 979413931 /nfs/dbraw/zinc/41/39/31/979413931.db2.gz STNFGKWZRLRDNU-ARFHVFGLSA-N 1 3 317.389 -0.032 20 0 DBADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@H](N)CCCNC(N)=O)c1 ZINC001221406500 979417228 /nfs/dbraw/zinc/41/72/28/979417228.db2.gz RWUDEBYYHMMWHX-CHWSQXEVSA-N 1 3 323.397 -0.413 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C1CCC1)C1C[NH2+]C1 ZINC001221410869 979419019 /nfs/dbraw/zinc/41/90/19/979419019.db2.gz SJPZUAXNSMMSLL-LEWSCRJBSA-N 1 3 308.426 -0.171 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COC)C[C@H]21 ZINC001221920371 979479814 /nfs/dbraw/zinc/47/98/14/979479814.db2.gz BUTVGTGCGYGZAY-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H]2CCN(C[C@@H](O)COC)C[C@H]21 ZINC001221920371 979479818 /nfs/dbraw/zinc/47/98/18/979479818.db2.gz BUTVGTGCGYGZAY-RBSFLKMASA-N 1 3 313.442 -0.132 20 0 DBADHO c1nc2n(c1CN1CCOC[C@@]3(CNCCO3)C1)CC[NH2+]CC2 ZINC001222186427 979499200 /nfs/dbraw/zinc/49/92/00/979499200.db2.gz HOHICPYWANRQMD-MRXNPFEDSA-N 1 3 321.425 -0.780 20 0 DBADHO CCOC(=O)[C@@H]1CC2(CN1C[C@@H]1COCCN1)CC[NH2+]CC2 ZINC001222216164 979500798 /nfs/dbraw/zinc/50/07/98/979500798.db2.gz YJQKWTTVXQQXNQ-KGLIPLIRSA-N 1 3 311.426 -0.018 20 0 DBADHO COC(=O)[C@@H]1CNCCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001222420128 979511784 /nfs/dbraw/zinc/51/17/84/979511784.db2.gz AIXRYWBAAUNJAU-AWEZNQCLSA-N 1 3 320.393 -0.678 20 0 DBADHO CC[C@H](C(=O)NC1CC[NH+](C[C@H](O)COC)CC1)N(C)C ZINC001227979294 979669082 /nfs/dbraw/zinc/66/90/82/979669082.db2.gz CZZSMYAKWAKYJS-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1)C1CC1 ZINC001350334100 980562074 /nfs/dbraw/zinc/56/20/74/980562074.db2.gz RVQDISKCHQHAHN-KBPBESRZSA-N 1 3 324.425 -0.791 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@@H](CC[NH3+])C1 ZINC001353131150 980780521 /nfs/dbraw/zinc/78/05/21/980780521.db2.gz GVFIKKPSVBMBOA-CYBMUJFWSA-N 1 3 314.430 -0.732 20 0 DBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001353313248 980795869 /nfs/dbraw/zinc/79/58/69/980795869.db2.gz YYWALVIBQRCRNM-KGLIPLIRSA-N 1 3 324.425 -0.694 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@H](O)C2(O)CCOCC2)CC1 ZINC001356571105 980955375 /nfs/dbraw/zinc/95/53/75/980955375.db2.gz XFIVPEJTHWUUBX-AWEZNQCLSA-N 1 3 301.431 -0.884 20 0 DBADHO CN1CCC([N@@H+]2CC[C@@H](NCc3cn(CC(N)=O)nn3)C2)CC1 ZINC001363870947 982683935 /nfs/dbraw/zinc/68/39/35/982683935.db2.gz YZBXPVKMJMYAPB-GFCCVEGCSA-N 1 3 321.429 -0.979 20 0 DBADHO CN1CCC([N@H+]2CC[C@@H](NCc3cn(CC(N)=O)nn3)C2)CC1 ZINC001363870947 982683947 /nfs/dbraw/zinc/68/39/47/982683947.db2.gz YZBXPVKMJMYAPB-GFCCVEGCSA-N 1 3 321.429 -0.979 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001365990752 983643590 /nfs/dbraw/zinc/64/35/90/983643590.db2.gz DTNOOLXEBWKKGP-CABCVRRESA-N 1 3 323.441 -0.224 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001365990752 983643611 /nfs/dbraw/zinc/64/36/11/983643611.db2.gz DTNOOLXEBWKKGP-CABCVRRESA-N 1 3 323.441 -0.224 20 0 DBADHO CNC(=O)CN[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001366055784 983675912 /nfs/dbraw/zinc/67/59/12/983675912.db2.gz DZHFPEWBAOAQER-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NC3CC3)C2)C1 ZINC001366123848 983709585 /nfs/dbraw/zinc/70/95/85/983709585.db2.gz CVQQFIAVTXRNJO-MRVWCRGKSA-N 1 3 308.426 -0.156 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001366165628 983726332 /nfs/dbraw/zinc/72/63/32/983726332.db2.gz BORTWYAGMJVWPP-UMNHJUIQSA-N 1 3 313.402 -0.996 20 0 DBADHO C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001366235708 983747759 /nfs/dbraw/zinc/74/77/59/983747759.db2.gz OBRXPSISADYIGF-ZHMBSYLPSA-N 1 3 320.437 -0.204 20 0 DBADHO C[N@H+]1CCC[C@H]1CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001366235708 983747763 /nfs/dbraw/zinc/74/77/63/983747763.db2.gz OBRXPSISADYIGF-ZHMBSYLPSA-N 1 3 320.437 -0.204 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001366236446 983749562 /nfs/dbraw/zinc/74/95/62/983749562.db2.gz CMVYIOFOANVQSX-MEBFFEOJSA-N 1 3 308.426 -0.493 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001366236446 983749570 /nfs/dbraw/zinc/74/95/70/983749570.db2.gz CMVYIOFOANVQSX-MEBFFEOJSA-N 1 3 308.426 -0.493 20 0 DBADHO CCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C[C@@H](O)COC ZINC001366613657 983879429 /nfs/dbraw/zinc/87/94/29/983879429.db2.gz IKDZHIIRKZRZTP-CABCVRRESA-N 1 3 313.442 -0.226 20 0 DBADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCCNC1=O ZINC001366866904 984032927 /nfs/dbraw/zinc/03/29/27/984032927.db2.gz OLVKLILNAPCQCO-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001366968004 984090429 /nfs/dbraw/zinc/09/04/29/984090429.db2.gz QQFFECLPNKPJBB-AWEZNQCLSA-N 1 3 311.426 -0.330 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@H]1CCN(C[C@@H](O)Cn2cccn2)C1 ZINC001367015271 984126750 /nfs/dbraw/zinc/12/67/50/984126750.db2.gz BRSFUNYWKTVYIF-LSDHHAIUSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)NCC(N)=O ZINC001367139502 984199406 /nfs/dbraw/zinc/19/94/06/984199406.db2.gz OWDLNVURMMVGKM-LLVKDONJSA-N 1 3 300.403 -0.933 20 0 DBADHO CNC(=O)CNC[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC001367395035 984297693 /nfs/dbraw/zinc/29/76/93/984297693.db2.gz IRJPGDAGNSBVSA-LBPRGKRZSA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)[C@@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001367488078 984319259 /nfs/dbraw/zinc/31/92/59/984319259.db2.gz CWMMTDAZUFNANE-LLVKDONJSA-N 1 3 315.418 -0.748 20 0 DBADHO COC[C@H](O)CN(C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001367515310 984330509 /nfs/dbraw/zinc/33/05/09/984330509.db2.gz HPZNWEZKBPXGTB-CABCVRRESA-N 1 3 313.442 -0.274 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C1(N(C)C)CCC1 ZINC001367589112 984394612 /nfs/dbraw/zinc/39/46/12/984394612.db2.gz ACMTXDAHDZFYDM-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H](CN[C@@H](C)C(N)=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001367676419 984532482 /nfs/dbraw/zinc/53/24/82/984532482.db2.gz OMVGFCYNKNOJHY-MNOVXSKESA-N 1 3 310.402 -0.974 20 0 DBADHO CC[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001367699732 984550081 /nfs/dbraw/zinc/55/00/81/984550081.db2.gz QLFZPVJHEGJPBS-UTLUCORTSA-N 1 3 301.391 -0.996 20 0 DBADHO C[C@@H](CNCC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367773190 984611519 /nfs/dbraw/zinc/61/15/19/984611519.db2.gz XEZIBDVGNZGSSE-VHSXEESVSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@@H](CNCC(=O)NCC(F)(F)F)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367773190 984611535 /nfs/dbraw/zinc/61/15/35/984611535.db2.gz XEZIBDVGNZGSSE-VHSXEESVSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@H](NC[C@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001368104113 984874186 /nfs/dbraw/zinc/87/41/86/984874186.db2.gz AOAWLTHDOGGBCV-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001368114759 984877874 /nfs/dbraw/zinc/87/78/74/984877874.db2.gz IVJWJWIYMVNVBO-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001368114759 984877875 /nfs/dbraw/zinc/87/78/75/984877875.db2.gz IVJWJWIYMVNVBO-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](C)[N@@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001368276771 985022683 /nfs/dbraw/zinc/02/26/83/985022683.db2.gz PAAFJNWRYSDCLW-HIFRSBDPSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)CN(C)C(C)C)C1 ZINC001368276771 985022698 /nfs/dbraw/zinc/02/26/98/985022698.db2.gz PAAFJNWRYSDCLW-HIFRSBDPSA-N 1 3 301.431 -0.086 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2C1 ZINC001368363457 985116633 /nfs/dbraw/zinc/11/66/33/985116633.db2.gz KBOBTEAWSXJAKC-ZNMIVQPWSA-N 1 3 313.442 -0.274 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2C1 ZINC001368363457 985116645 /nfs/dbraw/zinc/11/66/45/985116645.db2.gz KBOBTEAWSXJAKC-ZNMIVQPWSA-N 1 3 313.442 -0.274 20 0 DBADHO COC[C@H](C)N1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001368376320 985132464 /nfs/dbraw/zinc/13/24/64/985132464.db2.gz NUNFCCZQANPMMW-DZGCQCFKSA-N 1 3 301.431 -0.084 20 0 DBADHO Cn1nncc1CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490729706 1015100877 /nfs/dbraw/zinc/10/08/77/1015100877.db2.gz WKHIGFDMQXLYBK-CQSZACIVSA-N 1 3 318.425 -0.105 20 0 DBADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC(N)=O)CCC1)N(C)C ZINC001368481942 985213852 /nfs/dbraw/zinc/21/38/52/985213852.db2.gz BHZZBRMOPDQULA-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO CNC(=O)CN[C@H](C)[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001368881608 985537796 /nfs/dbraw/zinc/53/77/96/985537796.db2.gz PRRQHDNHPZOAGV-NEPJUHHUSA-N 1 3 324.429 -0.713 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21)N(C)C ZINC001369138537 985760850 /nfs/dbraw/zinc/76/08/50/985760850.db2.gz ILUHUZCTCOGPCV-LXFSFDBISA-N 1 3 313.442 -0.372 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21)N(C)C ZINC001369138537 985760876 /nfs/dbraw/zinc/76/08/76/985760876.db2.gz ILUHUZCTCOGPCV-LXFSFDBISA-N 1 3 313.442 -0.372 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21)N(C)C ZINC001369138553 985761089 /nfs/dbraw/zinc/76/10/89/985761089.db2.gz ILUHUZCTCOGPCV-ZSAUSMIDSA-N 1 3 313.442 -0.372 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21)N(C)C ZINC001369138553 985761112 /nfs/dbraw/zinc/76/11/12/985761112.db2.gz ILUHUZCTCOGPCV-ZSAUSMIDSA-N 1 3 313.442 -0.372 20 0 DBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1)N(C)C ZINC001369182867 985802134 /nfs/dbraw/zinc/80/21/34/985802134.db2.gz VOIPVBSWCYPTQN-XDQVBPFNSA-N 1 3 310.442 -0.055 20 0 DBADHO CC(C)[C@H](C(=O)N(C)C[C@H](C)NCC(=O)NC(N)=O)[NH+](C)C ZINC001369291983 985847330 /nfs/dbraw/zinc/84/73/30/985847330.db2.gz JQXGRMJUDPUGJG-CMPLNLGQSA-N 1 3 315.418 -0.796 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001369340246 985922108 /nfs/dbraw/zinc/92/21/08/985922108.db2.gz PLGZIFZNWSMOMW-GJZGRUSLSA-N 1 3 323.441 -0.177 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001369465466 986131491 /nfs/dbraw/zinc/13/14/91/986131491.db2.gz GRENFRIEQYGPEJ-STQMWFEESA-N 1 3 314.430 -0.986 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001369465466 986131519 /nfs/dbraw/zinc/13/15/19/986131519.db2.gz GRENFRIEQYGPEJ-STQMWFEESA-N 1 3 314.430 -0.986 20 0 DBADHO C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)C(=O)C(C)(C)N1CCCC1 ZINC001369467716 986143887 /nfs/dbraw/zinc/14/38/87/986143887.db2.gz DOKVAMNHOUCZAK-CHWSQXEVSA-N 1 3 301.431 -0.350 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515749 986261024 /nfs/dbraw/zinc/26/10/24/986261024.db2.gz ZDJFMXBGPHJALD-ZDUSSCGKSA-N 1 3 301.431 -0.132 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001369515749 986261034 /nfs/dbraw/zinc/26/10/34/986261034.db2.gz ZDJFMXBGPHJALD-ZDUSSCGKSA-N 1 3 301.431 -0.132 20 0 DBADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)CN2CCCC2)C1 ZINC001370153376 986619845 /nfs/dbraw/zinc/61/98/45/986619845.db2.gz XZCQBYFOHSYGTB-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001370388860 986720406 /nfs/dbraw/zinc/72/04/06/986720406.db2.gz FZOAPNQXSIYCSY-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001371187350 987266569 /nfs/dbraw/zinc/26/65/69/987266569.db2.gz MFFSBZRQFKNJIF-YRGRVCCFSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCC(=O)NCC1CC1 ZINC001371187350 987266588 /nfs/dbraw/zinc/26/65/88/987266588.db2.gz MFFSBZRQFKNJIF-YRGRVCCFSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)N(C)C1CC1 ZINC001371435504 987347696 /nfs/dbraw/zinc/34/76/96/987347696.db2.gz YVQPENBGMNMIAT-GFCCVEGCSA-N 1 3 308.426 -0.203 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001371592727 987434786 /nfs/dbraw/zinc/43/47/86/987434786.db2.gz ZEZKCWQBEJCEKQ-ZIAGYGMSSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001373455354 988367736 /nfs/dbraw/zinc/36/77/36/988367736.db2.gz PTXZZOJHDKIMIM-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)CN(C)C1CCC1 ZINC001373455354 988367740 /nfs/dbraw/zinc/36/77/40/988367740.db2.gz PTXZZOJHDKIMIM-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001373576473 988463187 /nfs/dbraw/zinc/46/31/87/988463187.db2.gz MFJYSAVTSVPHMN-AWEZNQCLSA-N 1 3 322.453 -0.001 20 0 DBADHO COC[C@H](O)CN1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001373626328 988505114 /nfs/dbraw/zinc/50/51/14/988505114.db2.gz CFEHRGIUXBAYNF-KFWWJZLASA-N 1 3 311.426 -0.474 20 0 DBADHO COC[C@@H](O)CN1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001373626325 988505383 /nfs/dbraw/zinc/50/53/83/988505383.db2.gz CFEHRGIUXBAYNF-ILXRZTDVSA-N 1 3 311.426 -0.474 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001374649127 989084594 /nfs/dbraw/zinc/08/45/94/989084594.db2.gz LBXCSLRVUDBBCP-GFCCVEGCSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001374649127 989084605 /nfs/dbraw/zinc/08/46/05/989084605.db2.gz LBXCSLRVUDBBCP-GFCCVEGCSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cccnc2)C1 ZINC001374653277 989091341 /nfs/dbraw/zinc/09/13/41/989091341.db2.gz KSHWZKPBVJSGIN-HIFRSBDPSA-N 1 3 306.410 -0.010 20 0 DBADHO C[C@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCN1C(=O)CCC1=O ZINC001491483038 1015448024 /nfs/dbraw/zinc/44/80/24/1015448024.db2.gz ZJJQYEOZYXZJTN-GFCCVEGCSA-N 1 3 324.425 -0.286 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)CN[C@H](C)C(N)=O)CC1 ZINC001374662786 989107169 /nfs/dbraw/zinc/10/71/69/989107169.db2.gz PUTTXHLBDRRXNW-YPMHNXCESA-N 1 3 314.430 -0.953 20 0 DBADHO C[C@@H](CNC(=O)c1ccccc1CC[NH+](C)C)NCC(N)=O ZINC001491537360 1015479670 /nfs/dbraw/zinc/47/96/70/1015479670.db2.gz AGPOWZHGYUPENH-LBPRGKRZSA-N 1 3 306.410 -0.016 20 0 DBADHO O=C(CNC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1)N1CCC1 ZINC001375275362 989524353 /nfs/dbraw/zinc/52/43/53/989524353.db2.gz XQXPVESWZQVDSO-CQSZACIVSA-N 1 3 320.437 -0.201 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](N(CCO)CCO)C2)C1 ZINC001375624849 989695808 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COC[C@@H](O)C[N@@H+]1C[C@H]2CN(C(=O)CN(C)C(C)C)C[C@H]2C1 ZINC001376416384 990054591 /nfs/dbraw/zinc/05/45/91/990054591.db2.gz VVPKAZKFMUVXEW-ZNMIVQPWSA-N 1 3 313.442 -0.276 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001376464446 990083753 /nfs/dbraw/zinc/08/37/53/990083753.db2.gz MAHQGIPYWZXLRE-BETUJISGSA-N 1 3 308.426 -0.014 20 0 DBADHO CNC(=O)CN[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001491636141 1015535150 /nfs/dbraw/zinc/53/51/50/1015535150.db2.gz VKTKFPBZVXZGOS-GFCCVEGCSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1)C(N)=O ZINC001376838654 990341599 /nfs/dbraw/zinc/34/15/99/990341599.db2.gz HTOXHJMHYSDYOG-CHWSQXEVSA-N 1 3 324.425 -0.694 20 0 DBADHO CCN1CC[C@H](N[C@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001376857031 990353255 /nfs/dbraw/zinc/35/32/55/990353255.db2.gz UOGZCFUMIAZFNI-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@H]1CCCN(C)C1=O ZINC001376856347 990354042 /nfs/dbraw/zinc/35/40/42/990354042.db2.gz QWVDNAJDIAEMQX-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](CCNC(=O)[C@@H]1CCCN1C)[NH2+]CCS(C)(=O)=O ZINC001377013078 990417168 /nfs/dbraw/zinc/41/71/68/990417168.db2.gz LFSKQJBWPYGVCV-NEPJUHHUSA-N 1 3 305.444 -0.390 20 0 DBADHO CNC(=O)CN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001377273223 990512907 /nfs/dbraw/zinc/51/29/07/990512907.db2.gz RUUXKANQVMWKCZ-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO CCNC(=O)CN[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001377274586 990513909 /nfs/dbraw/zinc/51/39/09/990513909.db2.gz KYQIXELQRDMTTK-OLZOCXBDSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001377290381 990518682 /nfs/dbraw/zinc/51/86/82/990518682.db2.gz WXWYCUNBBCPNHR-QWHCGFSZSA-N 1 3 319.471 -0.191 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCCS(C)(=O)=O)C1 ZINC001377290381 990518686 /nfs/dbraw/zinc/51/86/86/990518686.db2.gz WXWYCUNBBCPNHR-QWHCGFSZSA-N 1 3 319.471 -0.191 20 0 DBADHO Cn1nncc1CNCC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001377358246 990547673 /nfs/dbraw/zinc/54/76/73/990547673.db2.gz UOCAAHUMTPNALO-UHFFFAOYSA-N 1 3 324.429 -0.790 20 0 DBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001377578781 990664342 /nfs/dbraw/zinc/66/43/42/990664342.db2.gz GZKWVNPIIJYXKB-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)[C@H](C)NCCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001377582730 990665853 /nfs/dbraw/zinc/66/58/53/990665853.db2.gz ZTAHBXQNFCICJV-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001377796421 990737243 /nfs/dbraw/zinc/73/72/43/990737243.db2.gz APPOBRVWQNGTOO-MNOVXSKESA-N 1 3 310.402 -0.974 20 0 DBADHO C[C@H](NCC(=O)N1CCOCC1)[C@H](C)NC(=O)CC[NH+](C)C ZINC001377851150 990757415 /nfs/dbraw/zinc/75/74/15/990757415.db2.gz RQGDDRYDJXGQRL-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001377918480 990795817 /nfs/dbraw/zinc/79/58/17/990795817.db2.gz 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ZINC001548578977 1015601556 /nfs/dbraw/zinc/60/15/56/1015601556.db2.gz OJJFEEWETGYLJS-GFCCVEGCSA-N 1 3 324.425 -0.776 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001378753773 991146376 /nfs/dbraw/zinc/14/63/76/991146376.db2.gz PROFNRSLCYBQEE-APIJFGDWSA-N 1 3 322.453 -0.101 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001378753773 991146392 /nfs/dbraw/zinc/14/63/92/991146392.db2.gz PROFNRSLCYBQEE-APIJFGDWSA-N 1 3 322.453 -0.101 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCN2CCNC2=O)C1 ZINC001491792300 1015625040 /nfs/dbraw/zinc/62/50/40/1015625040.db2.gz RPIDBEZWGCNAOM-ZIAGYGMSSA-N 1 3 323.441 -0.456 20 0 DBADHO O=C(NC[C@H](O)CNCc1ccccn1)[C@@H]1C[NH+]2CCC1CC2 ZINC001379213896 991439670 /nfs/dbraw/zinc/43/96/70/991439670.db2.gz UXQHALAADZAPRI-HZPDHXFCSA-N 1 3 318.421 -0.010 20 0 DBADHO CO[C@H](C)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001379230648 991458221 /nfs/dbraw/zinc/45/82/21/991458221.db2.gz QNNQFHWUUJGIBQ-CHWSQXEVSA-N 1 3 301.431 -0.038 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379256810 991485159 /nfs/dbraw/zinc/48/51/59/991485159.db2.gz IJOOQIUARQJJNF-TZMCWYRMSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379256810 991485168 /nfs/dbraw/zinc/48/51/68/991485168.db2.gz IJOOQIUARQJJNF-TZMCWYRMSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379256794 991485602 /nfs/dbraw/zinc/48/56/02/991485602.db2.gz IJOOQIUARQJJNF-GXTWGEPZSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379256794 991485608 /nfs/dbraw/zinc/48/56/08/991485608.db2.gz IJOOQIUARQJJNF-GXTWGEPZSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001379256805 991485736 /nfs/dbraw/zinc/48/57/36/991485736.db2.gz IJOOQIUARQJJNF-OCCSQVGLSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001379256805 991485740 /nfs/dbraw/zinc/48/57/40/991485740.db2.gz IJOOQIUARQJJNF-OCCSQVGLSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001379256799 991485816 /nfs/dbraw/zinc/48/58/16/991485816.db2.gz IJOOQIUARQJJNF-JSGCOSHPSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1nccc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001379256799 991485819 /nfs/dbraw/zinc/48/58/19/991485819.db2.gz IJOOQIUARQJJNF-JSGCOSHPSA-N 1 3 309.414 -0.671 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001379266270 991499819 /nfs/dbraw/zinc/49/98/19/991499819.db2.gz POXLDRDDVQVZIV-GHMZBOCLSA-N 1 3 315.418 -0.652 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)N[C@H](C)C(=O)NC(N)=O ZINC001379266270 991499829 /nfs/dbraw/zinc/49/98/29/991499829.db2.gz POXLDRDDVQVZIV-GHMZBOCLSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC1CC1 ZINC001379326516 991545725 /nfs/dbraw/zinc/54/57/25/991545725.db2.gz NVRVRKGXNXBWNU-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CC1 ZINC001379326516 991545739 /nfs/dbraw/zinc/54/57/39/991545739.db2.gz NVRVRKGXNXBWNU-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(CCN[C@@H](C)C(=O)NC(=O)NC)C(=O)CC[NH+](C)C ZINC001379326429 991545909 /nfs/dbraw/zinc/54/59/09/991545909.db2.gz PHIQMWZLFZPVDZ-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001379343541 991560311 /nfs/dbraw/zinc/56/03/11/991560311.db2.gz OUIOLWZXYNGULR-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(CC)CC(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001379343541 991560321 /nfs/dbraw/zinc/56/03/21/991560321.db2.gz OUIOLWZXYNGULR-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491839459 1015647263 /nfs/dbraw/zinc/64/72/63/1015647263.db2.gz WGMSWUFJKACVFS-GFCCVEGCSA-N 1 3 307.398 -0.131 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)CC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001379397552 991628039 /nfs/dbraw/zinc/62/80/39/991628039.db2.gz SMACWNYPVAVZFJ-GHMZBOCLSA-N 1 3 315.418 -0.606 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)CC[NH+]1CCCCC1 ZINC001379465514 991691261 /nfs/dbraw/zinc/69/12/61/991691261.db2.gz JNJOISKJMMHIFO-LLVKDONJSA-N 1 3 313.402 -0.848 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001379480091 991708942 /nfs/dbraw/zinc/70/89/42/991708942.db2.gz RMWSCIYHOUOKJN-ZIAGYGMSSA-N 1 3 309.414 -0.708 20 0 DBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001379515927 991754698 /nfs/dbraw/zinc/75/46/98/991754698.db2.gz OEULLMSJACQZMX-SMDDNHRTSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CCCOC1)C(=O)Cc1c[nH]cn1 ZINC001379837590 991953710 /nfs/dbraw/zinc/95/37/10/991953710.db2.gz GYFZSZQDRAWUCU-OCCSQVGLSA-N 1 3 310.398 -0.212 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@@H]1CCCNC1=O ZINC001379854824 991973052 /nfs/dbraw/zinc/97/30/52/991973052.db2.gz JYZNKIDJDQRYPM-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@H](O)CN[C@@H]1CCCNC1=O ZINC001379854824 991973060 /nfs/dbraw/zinc/97/30/60/991973060.db2.gz JYZNKIDJDQRYPM-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO C[NH+]1CCC(OCC(=O)N2CCC[C@H]2CNCC(N)=O)CC1 ZINC001380291625 992233789 /nfs/dbraw/zinc/23/37/89/992233789.db2.gz NAPGPBRCAGDNOS-LBPRGKRZSA-N 1 3 312.414 -0.837 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001380288955 992234925 /nfs/dbraw/zinc/23/49/25/992234925.db2.gz ZVBOKPAOLDCCPX-ZDUSSCGKSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@@]3(C[NH3+])C2)CC1=O ZINC001549134124 1015706396 /nfs/dbraw/zinc/70/63/96/1015706396.db2.gz NNOQYKVDAAIUKP-JKIFEVAISA-N 1 3 322.453 -0.016 20 0 DBADHO C[C@@H](NC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1)C(N)=O ZINC001380911511 992586707 /nfs/dbraw/zinc/58/67/07/992586707.db2.gz GNPYPJWWMBXNBM-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@@H](O)C[NH2+]CC1(O)CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001381156343 992690311 /nfs/dbraw/zinc/69/03/11/992690311.db2.gz NOAZKFOHSHXXRE-UONOGXRCSA-N 1 3 313.442 -0.348 20 0 DBADHO CC(C)N(C)CC(=O)NCC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001381234994 992722018 /nfs/dbraw/zinc/72/20/18/992722018.db2.gz ZERXSDJMHXPNDK-JTQLQIEISA-N 1 3 301.391 -0.994 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)CCC[NH+](C)C)CC1 ZINC001381255126 992728508 /nfs/dbraw/zinc/72/85/08/992728508.db2.gz OWAQNKGKINTXFX-ZDUSSCGKSA-N 1 3 301.431 -0.348 20 0 DBADHO CCCN(C)CC(=O)NC1(CO)CC[NH+](CCCO)CC1 ZINC001381254140 992730934 /nfs/dbraw/zinc/73/09/34/992730934.db2.gz AISUVSSGNRFCAR-UHFFFAOYSA-N 1 3 301.431 -0.346 20 0 DBADHO CN(CC(C)(C)C[NH2+][C@H]1CCNC1=O)C(=O)Cc1c[nH]cn1 ZINC001381482045 992812167 /nfs/dbraw/zinc/81/21/67/992812167.db2.gz NCWRCUHVQQWNBM-LBPRGKRZSA-N 1 3 307.398 -0.085 20 0 DBADHO CCNC(=O)NC(=O)CN[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001382121571 992997212 /nfs/dbraw/zinc/99/72/12/992997212.db2.gz ZOGBQHQDLPARPX-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO CN(CC(=O)NC[C@H](CO)[NH2+]CC1CCOCC1)C1CCC1 ZINC001382204740 993051880 /nfs/dbraw/zinc/05/18/80/993051880.db2.gz BDAWUFPXAGQMQM-CQSZACIVSA-N 1 3 313.442 -0.036 20 0 DBADHO [NH3+][C@@H]1CCN(c2cccc(CNC(=O)C[C@@H]3CNCCO3)n2)C1 ZINC001549727506 1015762960 /nfs/dbraw/zinc/76/29/60/1015762960.db2.gz XRLKTRZZRLRGBY-TZMCWYRMSA-N 1 3 319.409 -0.386 20 0 DBADHO C[C@H]1C[C@H](NCC(=O)N(C)C)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001382319644 993147816 /nfs/dbraw/zinc/14/78/16/993147816.db2.gz WGYFUPNHDZGXSL-STQMWFEESA-N 1 3 308.426 -0.251 20 0 DBADHO [NH3+][C@H]1CCN(c2cccc(CNC(=O)C[C@@H]3CNCCO3)n2)C1 ZINC001549727503 1015763378 /nfs/dbraw/zinc/76/33/78/1015763378.db2.gz XRLKTRZZRLRGBY-GXTWGEPZSA-N 1 3 319.409 -0.386 20 0 DBADHO Cc1nc(CNC[C@@H](O)CN(C)C(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001382416638 993229838 /nfs/dbraw/zinc/22/98/38/993229838.db2.gz UWEKECDTMPPTSY-CYBMUJFWSA-N 1 3 324.429 -0.636 20 0 DBADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382447092 993270107 /nfs/dbraw/zinc/27/01/07/993270107.db2.gz XAZIJZIWIQWSDL-HIFRSBDPSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C[C@@H](O)CNCc1ccccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382447092 993270123 /nfs/dbraw/zinc/27/01/23/993270123.db2.gz XAZIJZIWIQWSDL-HIFRSBDPSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](CO)NC(=O)CC[NH+](C)C)CCC1 ZINC001382479962 993312302 /nfs/dbraw/zinc/31/23/02/993312302.db2.gz LCKSBIUMSBIANV-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N[C@H]1C[NH2+]C[C@@H]1c1ccccc1 ZINC001550077814 1015786059 /nfs/dbraw/zinc/78/60/59/1015786059.db2.gz RHRKSCXXNANUDX-YCPHGPKFSA-N 1 3 318.421 -0.042 20 0 DBADHO COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@H](c3cnn(C)c3)C2)CCCCN1 ZINC001550068150 1015785191 /nfs/dbraw/zinc/78/51/91/1015785191.db2.gz XZZBRDOLDXUQSZ-DZKIICNBSA-N 1 3 321.425 -0.168 20 0 DBADHO COC[C@]1(C(=O)N2CC[C@@H](n3cc(CN)nn3)C2)CC[NH2+]C1 ZINC001550096270 1015791569 /nfs/dbraw/zinc/79/15/69/1015791569.db2.gz ILJOITOWHUQZAA-OCCSQVGLSA-N 1 3 308.386 -0.864 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)CO[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097170 1015791779 /nfs/dbraw/zinc/79/17/79/1015791779.db2.gz ALBJHPHBAMDFIO-CHWSQXEVSA-N 1 3 308.386 -0.721 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001550096130 1015792221 /nfs/dbraw/zinc/79/22/21/1015792221.db2.gz WFBAEFUMMMOPPG-MCIONIFRSA-N 1 3 320.397 -0.627 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001550096130 1015792225 /nfs/dbraw/zinc/79/22/25/1015792225.db2.gz WFBAEFUMMMOPPG-MCIONIFRSA-N 1 3 320.397 -0.627 20 0 DBADHO C[C@H](NC(=O)CC[NH+](C)C)C1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001383313431 993614527 /nfs/dbraw/zinc/61/45/27/993614527.db2.gz NBNAXZGBABLVAI-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)[C@@H](N)C(=O)NCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC001550115008 1015795327 /nfs/dbraw/zinc/79/53/27/1015795327.db2.gz VLMPAQJWIOWPFG-GDBMZVCRSA-N 1 3 318.421 -0.083 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC001550203984 1015800518 /nfs/dbraw/zinc/80/05/18/1015800518.db2.gz RSZGNXLYUXLJCT-QWHCGFSZSA-N 1 3 324.425 -0.958 20 0 DBADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001550277749 1015801361 /nfs/dbraw/zinc/80/13/61/1015801361.db2.gz OJVAVPXGSWXRMT-ZKXZWOTCSA-N 1 3 308.426 -0.023 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CCN2C[C@H](O)C[C@@H]2C1 ZINC001550323894 1015801645 /nfs/dbraw/zinc/80/16/45/1015801645.db2.gz AJRLITNNJDBOQL-HUUCEWRRSA-N 1 3 309.410 -0.625 20 0 DBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001383846651 993765611 /nfs/dbraw/zinc/76/56/11/993765611.db2.gz VFCBLFXGKTUJGT-NWDGAFQWSA-N 1 3 307.398 -0.133 20 0 DBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001383846651 993765617 /nfs/dbraw/zinc/76/56/17/993765617.db2.gz VFCBLFXGKTUJGT-NWDGAFQWSA-N 1 3 307.398 -0.133 20 0 DBADHO CN1CCN([C@H]2CCN(C(=O)C3CN(C)CC[N@H+](C)C3)C2)CC1 ZINC001550415517 1015805922 /nfs/dbraw/zinc/80/59/22/1015805922.db2.gz AVBFTAMYKKRYGN-INIZCTEOSA-N 1 3 323.485 -0.672 20 0 DBADHO CN1CCN([C@H]2CCN(C(=O)C3CN(C)CC[N@@H+](C)C3)C2)CC1 ZINC001550415517 1015805928 /nfs/dbraw/zinc/80/59/28/1015805928.db2.gz AVBFTAMYKKRYGN-INIZCTEOSA-N 1 3 323.485 -0.672 20 0 DBADHO CN(C)C[C@@H]1CN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CCO1 ZINC001552087021 1015838201 /nfs/dbraw/zinc/83/82/01/1015838201.db2.gz JODLZDOMXXVWSZ-NWDGAFQWSA-N 1 3 308.386 -0.785 20 0 DBADHO Cc1c([C@@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CNCCO2)cnn1C ZINC001552090031 1015840440 /nfs/dbraw/zinc/84/04/40/1015840440.db2.gz KJHKEGGNAQQQAX-UBHSHLNASA-N 1 3 307.398 -0.864 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001400514475 994199938 /nfs/dbraw/zinc/19/99/38/994199938.db2.gz MRYQNMAGFGBJFN-AEGPPILISA-N 1 3 313.442 -0.228 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001400514475 994199944 /nfs/dbraw/zinc/19/99/44/994199944.db2.gz MRYQNMAGFGBJFN-AEGPPILISA-N 1 3 313.442 -0.228 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@H]2CCCN(C)C2)nn1 ZINC001552169119 1015844859 /nfs/dbraw/zinc/84/48/59/1015844859.db2.gz WCQFDEFFFDOTLM-OUCADQQQSA-N 1 3 322.413 -0.810 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N(C)[C@H]2CCN(C)C2)nn1 ZINC001552257194 1015852053 /nfs/dbraw/zinc/85/20/53/1015852053.db2.gz JOVKLNWDWVEMJZ-OUCADQQQSA-N 1 3 322.413 -0.858 20 0 DBADHO CC1(N2CCOCC2)CCN(C(=O)N2C[C@@H](N)[C@H]([NH3+])C2)CC1 ZINC001552961243 1015871894 /nfs/dbraw/zinc/87/18/94/1015871894.db2.gz UQTIHFCJLHJAGQ-CHWSQXEVSA-N 1 3 311.430 -0.737 20 0 DBADHO Cc1nc(CNC[C@H](O)CNC(=O)[C@@H]2C[NH+]3CCC2CC3)n[nH]1 ZINC001401494487 994595805 /nfs/dbraw/zinc/59/58/05/994595805.db2.gz BJSCZXHOZZHXCK-QWHCGFSZSA-N 1 3 322.413 -0.978 20 0 DBADHO CCN1CC[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C)C1=O ZINC001401592702 994686453 /nfs/dbraw/zinc/68/64/53/994686453.db2.gz YKIWVXQIDWZRHJ-CHWSQXEVSA-N 1 3 314.430 -0.986 20 0 DBADHO C[C@H](CN[C@@H](C)C(=O)NC(N)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001401641404 994725694 /nfs/dbraw/zinc/72/56/94/994725694.db2.gz VUZNTZVVJDDJDH-ZJUUUORDSA-N 1 3 313.402 -0.994 20 0 DBADHO CC(C)CNC(=O)CNC[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001401650507 994730897 /nfs/dbraw/zinc/73/08/97/994730897.db2.gz BNNNXXHVXMALPN-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401651254 994731227 /nfs/dbraw/zinc/73/12/27/994731227.db2.gz JPSUPFVQESVCKC-VXGBXAGGSA-N 1 3 324.429 -0.713 20 0 DBADHO Cn1cnc([C@@H]2CN(C(=O)NC[C@H]3CCCN3C)C[C@H]2[NH3+])c1 ZINC001553433996 1015891203 /nfs/dbraw/zinc/89/12/03/1015891203.db2.gz GRJYRNDWDDGMJF-JHJVBQTASA-N 1 3 306.414 -0.050 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401865820 994832889 /nfs/dbraw/zinc/83/28/89/994832889.db2.gz MHVUNFKSBSNSCG-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401865820 994832893 /nfs/dbraw/zinc/83/28/93/994832893.db2.gz MHVUNFKSBSNSCG-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001401864117 994833416 /nfs/dbraw/zinc/83/34/16/994833416.db2.gz LFQXWLMDQJFSLS-GXTWGEPZSA-N 1 3 308.426 -0.299 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)NC2CC2)C2CC2)C1 ZINC001401864117 994833418 /nfs/dbraw/zinc/83/34/18/994833418.db2.gz LFQXWLMDQJFSLS-GXTWGEPZSA-N 1 3 308.426 -0.299 20 0 DBADHO Cn1nncc1CNC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401869557 994834330 /nfs/dbraw/zinc/83/43/30/994834330.db2.gz OJZPYEZAFOXSHZ-GXTWGEPZSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CNC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401869557 994834338 /nfs/dbraw/zinc/83/43/38/994834338.db2.gz OJZPYEZAFOXSHZ-GXTWGEPZSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401869578 994834876 /nfs/dbraw/zinc/83/48/76/994834876.db2.gz OJZPYEZAFOXSHZ-TZMCWYRMSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CNC[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401869578 994834883 /nfs/dbraw/zinc/83/48/83/994834883.db2.gz OJZPYEZAFOXSHZ-TZMCWYRMSA-N 1 3 306.414 -0.249 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001401876469 994837061 /nfs/dbraw/zinc/83/70/61/994837061.db2.gz RTQMMBOTRYWCCJ-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001553502498 1015895382 /nfs/dbraw/zinc/89/53/82/1015895382.db2.gz KRACISPSJGHMCK-MELADBBJSA-N 1 3 312.414 -0.785 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]21)N(C)C ZINC001386587270 994976433 /nfs/dbraw/zinc/97/64/33/994976433.db2.gz NVNYPVZGFUPMSQ-MRLBHPIUSA-N 1 3 322.453 -0.149 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]21)N(C)C ZINC001386587270 994976446 /nfs/dbraw/zinc/97/64/46/994976446.db2.gz NVNYPVZGFUPMSQ-MRLBHPIUSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)(C(=O)NC[C@]1(O)CC[N@H+](CCO)C1)N1CCCCC1 ZINC001402270704 995024212 /nfs/dbraw/zinc/02/42/12/995024212.db2.gz NAZMLGNPVSHJIK-MRXNPFEDSA-N 1 3 313.442 -0.204 20 0 DBADHO CC(C)(C(=O)NC[C@]1(O)CC[N@@H+](CCO)C1)N1CCCCC1 ZINC001402270704 995024220 /nfs/dbraw/zinc/02/42/20/995024220.db2.gz NAZMLGNPVSHJIK-MRXNPFEDSA-N 1 3 313.442 -0.204 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@@]1(O)CCN(CCn2cccn2)C1 ZINC001402284918 995041082 /nfs/dbraw/zinc/04/10/82/995041082.db2.gz JBLWBDRIHPRCIX-HNNXBMFYSA-N 1 3 309.414 -0.612 20 0 DBADHO O=C(CN[C@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)N1CCC1 ZINC001402362619 995108737 /nfs/dbraw/zinc/10/87/37/995108737.db2.gz MCYSNILFEDVAFI-CQSZACIVSA-N 1 3 320.437 -0.201 20 0 DBADHO C[C@H](O)CN1CCC[C@@](CO)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001402455959 995148328 /nfs/dbraw/zinc/14/83/28/995148328.db2.gz ASODNQVPDXWMNK-XJKSGUPXSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)N(C)C ZINC001402589774 995201952 /nfs/dbraw/zinc/20/19/52/995201952.db2.gz CLEWACHYYMEVOQ-CHWSQXEVSA-N 1 3 314.430 -0.768 20 0 DBADHO C[C@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1)C(=O)N(C)C ZINC001402589786 995202329 /nfs/dbraw/zinc/20/23/29/995202329.db2.gz CLEWACHYYMEVOQ-QWHCGFSZSA-N 1 3 314.430 -0.768 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@H](CC)C(N)=O)C1 ZINC001402598017 995207606 /nfs/dbraw/zinc/20/76/06/995207606.db2.gz LRESFVUHQHXPFF-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N[C@H]1CCNC1=O ZINC001403070468 995396889 /nfs/dbraw/zinc/39/68/89/995396889.db2.gz NUCVOJPNFKNDJI-YPMHNXCESA-N 1 3 312.414 -0.920 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001403224756 995459373 /nfs/dbraw/zinc/45/93/73/995459373.db2.gz CHWLMGBAIBHRDI-HIFRSBDPSA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@@H](C(=O)NC1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC001387780888 995480228 /nfs/dbraw/zinc/48/02/28/995480228.db2.gz QDRLVHARIQHRSD-GJZGRUSLSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@@H](C(=O)NC1CN(C(=O)C2(C[NH+](C)C)CC2)C1)N(C)C ZINC001387819339 995496131 /nfs/dbraw/zinc/49/61/31/995496131.db2.gz AYZONQQSLXOUIW-ZDUSSCGKSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001403399917 995507415 /nfs/dbraw/zinc/50/74/15/995507415.db2.gz DHZGHNIRYHYJGM-XQLPTFJDSA-N 1 3 322.453 -0.147 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001403399917 995507424 /nfs/dbraw/zinc/50/74/24/995507424.db2.gz DHZGHNIRYHYJGM-XQLPTFJDSA-N 1 3 322.453 -0.147 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)CN1CC[C@H](C)C1 ZINC001403508032 995547353 /nfs/dbraw/zinc/54/73/53/995547353.db2.gz HWHGKKTWKQSTAL-JSGCOSHPSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C[C@@H](O)COC)CC[N@@H+]1C ZINC001403559016 995572455 /nfs/dbraw/zinc/57/24/55/995572455.db2.gz AQZXPKJWLZOXDA-HZSPNIEDSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN(C)C[C@@H](O)COC)CC[N@H+]1C ZINC001403559016 995572466 /nfs/dbraw/zinc/57/24/66/995572466.db2.gz AQZXPKJWLZOXDA-HZSPNIEDSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001403619465 995599242 /nfs/dbraw/zinc/59/92/42/995599242.db2.gz AFCGGZLSZXLIRG-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001403619465 995599249 /nfs/dbraw/zinc/59/92/49/995599249.db2.gz AFCGGZLSZXLIRG-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001403620714 995601498 /nfs/dbraw/zinc/60/14/98/995601498.db2.gz IBPKVSWRILCCQA-GHMZBOCLSA-N 1 3 315.418 -0.654 20 0 DBADHO C[C@@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)CCC[NH+](C)C ZINC001403754087 995691421 /nfs/dbraw/zinc/69/14/21/995691421.db2.gz XSPOFNRBRXWZAB-OLZOCXBDSA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001403775857 995698661 /nfs/dbraw/zinc/69/86/61/995698661.db2.gz UJMHIDKOQQSJHW-CHWSQXEVSA-N 1 3 308.426 -0.251 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)C[C@H](O)COC ZINC001403786481 995703595 /nfs/dbraw/zinc/70/35/95/995703595.db2.gz JGSVBAIPBJVVOE-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)C[C@H](O)COC ZINC001403786481 995703598 /nfs/dbraw/zinc/70/35/98/995703598.db2.gz JGSVBAIPBJVVOE-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H](O)C[NH2+]C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C ZINC001403862113 995740004 /nfs/dbraw/zinc/74/00/04/995740004.db2.gz NXLLVJOHKAYORI-OLZOCXBDSA-N 1 3 303.447 -0.246 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2ccnn2C)CC[N@@H+]1C ZINC001403845058 995728231 /nfs/dbraw/zinc/72/82/31/995728231.db2.gz QUNMFHIXBNHWOL-VHDGCEQUSA-N 1 3 323.441 -0.331 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)C[C@@H](O)CNCc2ccnn2C)CC[N@H+]1C ZINC001403845058 995728237 /nfs/dbraw/zinc/72/82/37/995728237.db2.gz QUNMFHIXBNHWOL-VHDGCEQUSA-N 1 3 323.441 -0.331 20 0 DBADHO C[C@@H](NC[C@@H](O)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(N)=O ZINC001403854139 995732142 /nfs/dbraw/zinc/73/21/42/995732142.db2.gz AVKWNCGXYGXPLJ-VXGBXAGGSA-N 1 3 314.430 -0.857 20 0 DBADHO CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001388687612 995733524 /nfs/dbraw/zinc/73/35/24/995733524.db2.gz OBLWCCQTOKJLKR-MCIONIFRSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CNC[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001403870572 995746430 /nfs/dbraw/zinc/74/64/30/995746430.db2.gz FQQUNDGRTDABGH-ZDUSSCGKSA-N 1 3 314.430 -0.983 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001403887670 995756977 /nfs/dbraw/zinc/75/69/77/995756977.db2.gz UYUXFWSHJJKOLL-CQSZACIVSA-N 1 3 311.430 -0.331 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)c1 ZINC001403887662 995758241 /nfs/dbraw/zinc/75/82/41/995758241.db2.gz UYUXFWSHJJKOLL-AWEZNQCLSA-N 1 3 311.430 -0.331 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001404014280 995802735 /nfs/dbraw/zinc/80/27/35/995802735.db2.gz RTMNTETWUIAPRQ-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CCN[C@@H]1CCCNC1=O)C(=O)C12CCC[NH+]1CCC2 ZINC001404331893 995857840 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CC[N@H+](C)CCC(=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001397788870 999132311 /nfs/dbraw/zinc/13/23/11/999132311.db2.gz MQWKOSZPHVAALF-AWEZNQCLSA-N 1 3 301.431 -0.394 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001397788870 999132313 /nfs/dbraw/zinc/13/23/13/999132313.db2.gz MQWKOSZPHVAALF-AWEZNQCLSA-N 1 3 301.431 -0.394 20 0 DBADHO CC[C@H](C(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2)N(C)C ZINC001397982269 999188453 /nfs/dbraw/zinc/18/84/53/999188453.db2.gz RWHNFHBBBGHTIV-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1CCCN(C[C@@H](O)Cn2cccn2)C1 ZINC001398239770 999228455 /nfs/dbraw/zinc/22/84/55/999228455.db2.gz RKTFPIKRHGXBIF-LSDHHAIUSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1)N(C)C ZINC001398552628 999296413 /nfs/dbraw/zinc/29/64/13/999296413.db2.gz JTEGLNNKZCSWLO-AJNGGQMLSA-N 1 3 323.441 -0.179 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1)C1CCC1 ZINC001398618017 999316400 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DBADHO CC(C)[NH+]1CCC(C(=O)NC[C@@]2(O)CCN(CCO)C2)CC1 ZINC001421380836 1000474694 /nfs/dbraw/zinc/47/46/94/1000474694.db2.gz HPDQPSFMBRLWNS-INIZCTEOSA-N 1 3 313.442 -0.348 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)CNC(=O)CN(C)C(C)C ZINC001421766904 1000616301 /nfs/dbraw/zinc/61/63/01/1000616301.db2.gz NYLTWCGDCYWDBD-LLVKDONJSA-N 1 3 315.418 -0.876 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)C(=O)NC)C[C@H]21 ZINC001410159275 1000655679 /nfs/dbraw/zinc/65/56/79/1000655679.db2.gz QGCGRSXAIZHDSV-SYQHCUMBSA-N 1 3 310.442 -0.243 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2CN([C@H](C)C(=O)NC)C[C@H]21 ZINC001410159275 1000655684 /nfs/dbraw/zinc/65/56/84/1000655684.db2.gz QGCGRSXAIZHDSV-SYQHCUMBSA-N 1 3 310.442 -0.243 20 0 DBADHO C[C@H](CN[C@@H]1CCN(C)C1=O)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001421940906 1000675043 /nfs/dbraw/zinc/67/50/43/1000675043.db2.gz UMOYQRBCNRYBIH-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](C(=O)NC1(C[NH2+]CC(=O)NC)CCOCC1)N(C)C ZINC001422001264 1000695042 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314.430 -0.936 20 0 DBADHO C[C@@H](NC[C@H](O)CNC(=O)c1ccc(C[NH+](C)C)cc1)C(N)=O ZINC001422367398 1000845244 /nfs/dbraw/zinc/84/52/44/1000845244.db2.gz GJGVQXWTSSEZDY-RISCZKNCSA-N 1 3 322.409 -0.698 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001422402501 1000861572 /nfs/dbraw/zinc/86/15/72/1000861572.db2.gz RDXXKILIZUZRCU-VXGBXAGGSA-N 1 3 310.402 -0.978 20 0 DBADHO Cc1nc(CNC[C@@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001422402501 1000861574 /nfs/dbraw/zinc/86/15/74/1000861574.db2.gz RDXXKILIZUZRCU-VXGBXAGGSA-N 1 3 310.402 -0.978 20 0 DBADHO C[C@@H](NC[C@H](C)NC(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001422703752 1000978384 /nfs/dbraw/zinc/97/83/84/1000978384.db2.gz IFRKYUVKWVBRJZ-VHSXEESVSA-N 1 3 301.391 -0.994 20 0 DBADHO C[C@H](NCC(N)=O)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001422850362 1001033502 /nfs/dbraw/zinc/03/35/02/1001033502.db2.gz GSKFFRUBRJJHKD-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO C[NH+]1CCC(C(=O)N[C@@H](CN[C@@H]2CCNC2=O)C2CC2)CC1 ZINC001423022584 1001089209 /nfs/dbraw/zinc/08/92/09/1001089209.db2.gz IBTRKPZCBXXLOZ-KGLIPLIRSA-N 1 3 308.426 -0.299 20 0 DBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001423065706 1001105118 /nfs/dbraw/zinc/10/51/18/1001105118.db2.gz APWKGWAMNLNVEH-SNVBAGLBSA-N 1 3 313.402 -0.898 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCc2ccns2)C1 ZINC001423296597 1001238870 /nfs/dbraw/zinc/23/88/70/1001238870.db2.gz BHKHGBGFQOJFLO-NEPJUHHUSA-N 1 3 312.439 -0.296 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](CO)NCCc2ccns2)C1 ZINC001423296597 1001238877 /nfs/dbraw/zinc/23/88/77/1001238877.db2.gz BHKHGBGFQOJFLO-NEPJUHHUSA-N 1 3 312.439 -0.296 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCc2ccns2)C1 ZINC001423296599 1001238934 /nfs/dbraw/zinc/23/89/34/1001238934.db2.gz BHKHGBGFQOJFLO-NWDGAFQWSA-N 1 3 312.439 -0.296 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCCc2ccns2)C1 ZINC001423296599 1001238939 /nfs/dbraw/zinc/23/89/39/1001238939.db2.gz BHKHGBGFQOJFLO-NWDGAFQWSA-N 1 3 312.439 -0.296 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001423477398 1001330603 /nfs/dbraw/zinc/33/06/03/1001330603.db2.gz YDLZWAYEMBIUQN-KBPBESRZSA-N 1 3 311.430 -0.331 20 0 DBADHO O=C(C[NH2+]C[C@H]1CCCN1C(=O)CN1CCCC1)N1CCC1 ZINC001423489212 1001340382 /nfs/dbraw/zinc/34/03/82/1001340382.db2.gz DKLLFPUULDFHHY-CQSZACIVSA-N 1 3 308.426 -0.105 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001424000010 1001542565 /nfs/dbraw/zinc/54/25/65/1001542565.db2.gz XZFHAACQIGICJT-QLFBSQMISA-N 1 3 322.453 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001424000010 1001542577 /nfs/dbraw/zinc/54/25/77/1001542577.db2.gz XZFHAACQIGICJT-QLFBSQMISA-N 1 3 322.453 -0.005 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001424033790 1001550920 /nfs/dbraw/zinc/55/09/20/1001550920.db2.gz DFKZFOKOAWQYNJ-HIFRSBDPSA-N 1 3 301.431 -0.348 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@@H](C)O)C1 ZINC001424033790 1001550924 /nfs/dbraw/zinc/55/09/24/1001550924.db2.gz DFKZFOKOAWQYNJ-HIFRSBDPSA-N 1 3 301.431 -0.348 20 0 DBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@@H]1NCC(=O)N1CCC1 ZINC001424477275 1001648504 /nfs/dbraw/zinc/64/85/04/1001648504.db2.gz HCGRNRGKRGHXLH-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](O)C[NH2+]CC1(O)CCN(C(=O)C2(N(C)C)CCC2)CC1 ZINC001424533787 1001656926 /nfs/dbraw/zinc/65/69/26/1001656926.db2.gz GXWFYTCEPGOLPO-ZDUSSCGKSA-N 1 3 313.442 -0.205 20 0 DBADHO C[C@@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001424838570 1001805261 /nfs/dbraw/zinc/80/52/61/1001805261.db2.gz YRWVZVRTFDWMBG-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21)N(C)C ZINC001425322817 1001956058 /nfs/dbraw/zinc/95/60/58/1001956058.db2.gz ILUHUZCTCOGPCV-ARILJUKYSA-N 1 3 313.442 -0.372 20 0 DBADHO CC[C@H](C(=O)NC[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21)N(C)C ZINC001425322817 1001956074 /nfs/dbraw/zinc/95/60/74/1001956074.db2.gz ILUHUZCTCOGPCV-ARILJUKYSA-N 1 3 313.442 -0.372 20 0 DBADHO CC[C@H](CNC(=O)COC1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001495086183 1016546699 /nfs/dbraw/zinc/54/66/99/1016546699.db2.gz MWMMAHZMSPBSMN-NWDGAFQWSA-N 1 3 314.430 -0.545 20 0 DBADHO CCC[N@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001425365729 1002020010 /nfs/dbraw/zinc/02/00/10/1002020010.db2.gz SEKVGJGFSKYPRY-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CCC[N@@H+](C)CCC(=O)N1CCO[C@H]([C@@H](C)NCC(N)=O)C1 ZINC001425365729 1002020015 /nfs/dbraw/zinc/02/00/15/1002020015.db2.gz SEKVGJGFSKYPRY-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO C[C@@H](NCC(N)=O)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CCO1 ZINC001425367825 1002022709 /nfs/dbraw/zinc/02/27/09/1002022709.db2.gz RAAMMLXRHQOQMF-NEPJUHHUSA-N 1 3 312.414 -0.981 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001425502545 1002137583 /nfs/dbraw/zinc/13/75/83/1002137583.db2.gz ZHTDZOOAXQPDPQ-LSDHHAIUSA-N 1 3 322.453 -0.099 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](C)[NH2+]CCN1CCNC1=O ZINC001425691526 1002288975 /nfs/dbraw/zinc/28/89/75/1002288975.db2.gz GNGFLTWWPGMSAC-ZDUSSCGKSA-N 1 3 313.446 -0.212 20 0 DBADHO CN(C)CCn1nccc1NC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC001425802750 1002455015 /nfs/dbraw/zinc/45/50/15/1002455015.db2.gz GAGYKAQEVBJWMR-AWEZNQCLSA-N 1 3 310.402 -0.367 20 0 DBADHO CN(C)CCn1nccc1NC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC001425802750 1002455019 /nfs/dbraw/zinc/45/50/19/1002455019.db2.gz GAGYKAQEVBJWMR-AWEZNQCLSA-N 1 3 310.402 -0.367 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001425995860 1002608931 /nfs/dbraw/zinc/60/89/31/1002608931.db2.gz BFEZWSCEFJLXHV-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(=O)NC ZINC001425995860 1002608940 /nfs/dbraw/zinc/60/89/40/1002608940.db2.gz BFEZWSCEFJLXHV-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C[C@@H](O)CNCc1cncn1C)C(=O)C1CC[NH+](C)CC1 ZINC001426031675 1002631613 /nfs/dbraw/zinc/63/16/13/1002631613.db2.gz SRCFNIKVIATIJP-HNNXBMFYSA-N 1 3 323.441 -0.329 20 0 DBADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001426039266 1002636462 /nfs/dbraw/zinc/63/64/62/1002636462.db2.gz OBWGPFJLBBLVCZ-CABCVRRESA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C[C@@H](O)CNCc1cccnc1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001426039266 1002636467 /nfs/dbraw/zinc/63/64/67/1002636467.db2.gz OBWGPFJLBBLVCZ-CABCVRRESA-N 1 3 306.410 -0.058 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001415075163 1002651553 /nfs/dbraw/zinc/65/15/53/1002651553.db2.gz BBLMBIPBLOZNAB-VIKVFOODSA-N 1 3 310.442 -0.147 20 0 DBADHO CN1CC[C@@H](N2CC[C@@H]3CN(C(=O)CC[NH+](C)C)C[C@@H]3C2)C1=O ZINC001436462355 1002720976 /nfs/dbraw/zinc/72/09/76/1002720976.db2.gz WXDJFDBUPIYRJA-QLFBSQMISA-N 1 3 322.453 -0.051 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436895602 1002822494 /nfs/dbraw/zinc/82/24/94/1002822494.db2.gz JTHJBMVPKPZLDS-CYDGBPFRSA-N 1 3 314.405 -0.208 20 0 DBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)NC(N)=O ZINC001495683613 1016686528 /nfs/dbraw/zinc/68/65/28/1016686528.db2.gz JMHKDVXHWMHSPA-SNVBAGLBSA-N 1 3 313.402 -0.993 20 0 DBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCN1CCNC1=O ZINC001437206784 1002882926 /nfs/dbraw/zinc/88/29/26/1002882926.db2.gz MSLCATKDDBYSTL-OLZOCXBDSA-N 1 3 311.430 -0.552 20 0 DBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CCN1CCNC1=O ZINC001437206786 1002882998 /nfs/dbraw/zinc/88/29/98/1002882998.db2.gz MSLCATKDDBYSTL-QWHCGFSZSA-N 1 3 311.430 -0.552 20 0 DBADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C[C@@H](O)Cn1cccn1 ZINC001437541397 1003058858 /nfs/dbraw/zinc/05/88/58/1003058858.db2.gz LRYXKEFIJVETBI-CQSZACIVSA-N 1 3 321.425 -0.612 20 0 DBADHO Cc1ncsc1CNC[C@H](O)CNC(=O)CC[NH+](C)C ZINC001439021234 1003837617 /nfs/dbraw/zinc/83/76/17/1003837617.db2.gz CCNYZNOLCHPARF-NSHDSACASA-N 1 3 300.428 -0.030 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001438992328 1003822294 /nfs/dbraw/zinc/82/22/94/1003822294.db2.gz NNDYSWXIEQPLGZ-UKRRQHHQSA-N 1 3 323.441 -0.139 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001438992328 1003822295 /nfs/dbraw/zinc/82/22/95/1003822295.db2.gz NNDYSWXIEQPLGZ-UKRRQHHQSA-N 1 3 323.441 -0.139 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](O)C[NH2+]Cc2cncn2C)CCC1 ZINC001439008447 1003828008 /nfs/dbraw/zinc/82/80/08/1003828008.db2.gz XSRFMLOESSORBD-ZDUSSCGKSA-N 1 3 309.414 -0.529 20 0 DBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439010823 1003829344 /nfs/dbraw/zinc/82/93/44/1003829344.db2.gz FBAOLUKCSBJSOS-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001439010823 1003829345 /nfs/dbraw/zinc/82/93/45/1003829345.db2.gz FBAOLUKCSBJSOS-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001439040946 1003849142 /nfs/dbraw/zinc/84/91/42/1003849142.db2.gz DGWXTLUMLFOIHE-ZDUSSCGKSA-N 1 3 310.398 -0.246 20 0 DBADHO CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001439226182 1003887096 /nfs/dbraw/zinc/88/70/96/1003887096.db2.gz QLFZPVJHEGJPBS-IVZWLZJFSA-N 1 3 301.391 -0.996 20 0 DBADHO CC(C)NC(=O)CNC[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001439239291 1003889936 /nfs/dbraw/zinc/88/99/36/1003889936.db2.gz LCZKDAQEQZPSFZ-GXTWGEPZSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496062010 1016830064 /nfs/dbraw/zinc/83/00/64/1016830064.db2.gz RLURPVROKLKQBZ-BFHYXJOUSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001496062010 1016830069 /nfs/dbraw/zinc/83/00/69/1016830069.db2.gz RLURPVROKLKQBZ-BFHYXJOUSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001496146384 1016852494 /nfs/dbraw/zinc/85/24/94/1016852494.db2.gz ZNXOLWKKBLTCCE-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC2([NH2+]CC(N)=O)CCOCC2)C1 ZINC001439970752 1004160449 /nfs/dbraw/zinc/16/04/49/1004160449.db2.gz UUPLSBQMZPDDHH-LBPRGKRZSA-N 1 3 312.414 -0.932 20 0 DBADHO O=C(NC[C@@H](N[C@@H]1CCNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001418012697 1004162166 /nfs/dbraw/zinc/16/21/66/1004162166.db2.gz YWTUCKKMYZMADE-CHWSQXEVSA-N 1 3 306.410 -0.545 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001440024870 1004201687 /nfs/dbraw/zinc/20/16/87/1004201687.db2.gz SCBRRDOHTZBFPC-GOEBONIOSA-N 1 3 313.442 -0.082 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+](C[C@@H]2CCOC2)C1 ZINC001440024870 1004201699 /nfs/dbraw/zinc/20/16/99/1004201699.db2.gz SCBRRDOHTZBFPC-GOEBONIOSA-N 1 3 313.442 -0.082 20 0 DBADHO CNC(=O)CNC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001418174925 1004244325 /nfs/dbraw/zinc/24/43/25/1004244325.db2.gz STEPICAPTAJMJP-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CNC(=O)[C@H](C)N[C@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001418302941 1004323092 /nfs/dbraw/zinc/32/30/92/1004323092.db2.gz KIOYZDWVKUMQQS-NEPJUHHUSA-N 1 3 314.430 -0.674 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001418343196 1004351270 /nfs/dbraw/zinc/35/12/70/1004351270.db2.gz JPTSSKRHWLDICN-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001418834428 1004683962 /nfs/dbraw/zinc/68/39/62/1004683962.db2.gz WLPXRLDBOQWFMH-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001418834428 1004683967 /nfs/dbraw/zinc/68/39/67/1004683967.db2.gz WLPXRLDBOQWFMH-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN1CC[C@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001418877737 1004693964 /nfs/dbraw/zinc/69/39/64/1004693964.db2.gz FHRQWVIXXRNJFZ-DZGCQCFKSA-N 1 3 322.453 -0.098 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001418915452 1004713246 /nfs/dbraw/zinc/71/32/46/1004713246.db2.gz UBEGDUHJUOBUCH-CYBMUJFWSA-N 1 3 308.426 -0.344 20 0 DBADHO CN(C[C@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCN(C)C1=O ZINC001418937675 1004721766 /nfs/dbraw/zinc/72/17/66/1004721766.db2.gz JCTQHUWAWKGGLX-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC(=O)NC ZINC001419273625 1004847820 /nfs/dbraw/zinc/84/78/20/1004847820.db2.gz PLAAEEINDRKVDR-LLVKDONJSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001419643589 1004926675 /nfs/dbraw/zinc/92/66/75/1004926675.db2.gz CREOVSBJXZOOEU-BJJPWKGXSA-N 1 3 308.426 -0.396 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001419643589 1004926681 /nfs/dbraw/zinc/92/66/81/1004926681.db2.gz CREOVSBJXZOOEU-BJJPWKGXSA-N 1 3 308.426 -0.396 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001419914725 1005016523 /nfs/dbraw/zinc/01/65/23/1005016523.db2.gz TUWUIZSWCYMORQ-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2cncn2C)CC[N@@H+]1C ZINC001420162388 1005128264 /nfs/dbraw/zinc/12/82/64/1005128264.db2.gz ZEIPSOZTWKBRBK-YDHLFZDLSA-N 1 3 323.441 -0.283 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NC[C@@H](O)CNCc2cncn2C)CC[N@H+]1C ZINC001420162388 1005128270 /nfs/dbraw/zinc/12/82/70/1005128270.db2.gz ZEIPSOZTWKBRBK-YDHLFZDLSA-N 1 3 323.441 -0.283 20 0 DBADHO C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)C1(N(C)C)CCC1 ZINC001420297939 1005194013 /nfs/dbraw/zinc/19/40/13/1005194013.db2.gz DKERNAFZMRZLHT-NXEZZACHSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(CCCO)C2)CC[N@@H+]1C ZINC001440175002 1005985694 /nfs/dbraw/zinc/98/56/94/1005985694.db2.gz NVGBAKGWEQHUEX-IIAWOOMASA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@]2(CO)CCCN(CCCO)C2)CC[N@H+]1C ZINC001440175002 1005985701 /nfs/dbraw/zinc/98/57/01/1005985701.db2.gz NVGBAKGWEQHUEX-IIAWOOMASA-N 1 3 313.442 -0.348 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)CN(C)C(C)C)CCO1 ZINC001440403086 1006100730 /nfs/dbraw/zinc/10/07/30/1006100730.db2.gz QTWCHCZFJQUYOU-QWHCGFSZSA-N 1 3 314.430 -0.722 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@](CO)([NH2+]CCO)C1 ZINC001440552906 1006194276 /nfs/dbraw/zinc/19/42/76/1006194276.db2.gz ZJLZYLGNSOHFMA-DZGCQCFKSA-N 1 3 319.421 -0.398 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CC(=O)N2CCC2)[C@@H](C)C1 ZINC001440592762 1006215329 /nfs/dbraw/zinc/21/53/29/1006215329.db2.gz JEKNXYXDAQDRCL-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001440637027 1006247900 /nfs/dbraw/zinc/24/79/00/1006247900.db2.gz QCOYMRWFNQRSNO-GFCCVEGCSA-N 1 3 314.430 -0.855 20 0 DBADHO C[C@H]([NH2+]CC(N)=O)[C@H]1CN(C(=O)C2(N(C)C)CCC2)CCO1 ZINC001441315905 1006578374 /nfs/dbraw/zinc/57/83/74/1006578374.db2.gz JBLAXNUINHSKGH-NWDGAFQWSA-N 1 3 312.414 -0.839 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001441324706 1006583013 /nfs/dbraw/zinc/58/30/13/1006583013.db2.gz CYIMTWGPWPMMJA-STQMWFEESA-N 1 3 324.425 -0.966 20 0 DBADHO CCCN(C)CC(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001430396714 1006843702 /nfs/dbraw/zinc/84/37/02/1006843702.db2.gz FIZHQAQWEOYKGS-UHFFFAOYSA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@H](CNC(=O)C1CC[NH+](C)CC1)N[C@@H](C)C(=O)NC(N)=O ZINC001441940247 1006976394 /nfs/dbraw/zinc/97/63/94/1006976394.db2.gz ONJOYYFVFHKLJP-ZJUUUORDSA-N 1 3 313.402 -0.994 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001442042141 1007126408 /nfs/dbraw/zinc/12/64/08/1007126408.db2.gz WNQVEOWGQBKCKM-OLZOCXBDSA-N 1 3 314.430 -0.986 20 0 DBADHO CC(C)[C@@H](C(=O)N(C)C[C@H](O)CNCC(N)=O)[NH+]1CCCC1 ZINC001442043748 1007132855 /nfs/dbraw/zinc/13/28/55/1007132855.db2.gz XQLJXAFMGOOMEE-OCCSQVGLSA-N 1 3 314.430 -0.999 20 0 DBADHO CN(CCNC(=O)C12CC[NH+](CC1)C2)C(=O)[C@H]1CCCN1C ZINC001431387189 1007390301 /nfs/dbraw/zinc/39/03/01/1007390301.db2.gz KBXBECZMUUFMQV-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@@H]2CCCN(C)C2=O)CC[N@@H+]1C ZINC001443079531 1007782475 /nfs/dbraw/zinc/78/24/75/1007782475.db2.gz QKSZONJAGNFWPS-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)N(C)CCN[C@@H]2CCCN(C)C2=O)CC[N@H+]1C ZINC001443079531 1007782485 /nfs/dbraw/zinc/78/24/85/1007782485.db2.gz QKSZONJAGNFWPS-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001443105801 1007794931 /nfs/dbraw/zinc/79/49/31/1007794931.db2.gz VNOFCUNDLQFHJV-LBPRGKRZSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001432296135 1007882807 /nfs/dbraw/zinc/88/28/07/1007882807.db2.gz ICVAYHCFKRBOQB-CQSZACIVSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C2CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001432455969 1007940810 /nfs/dbraw/zinc/94/08/10/1007940810.db2.gz XRGNJNXURJXQAR-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCCC(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001432471924 1007947029 /nfs/dbraw/zinc/94/70/29/1007947029.db2.gz KGSVYLMHEWKGAG-UHFFFAOYSA-N 1 3 307.398 -0.131 20 0 DBADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@@H]1CCCCN1C ZINC001444615353 1008195882 /nfs/dbraw/zinc/19/58/82/1008195882.db2.gz DHAPVAGUQUOJCE-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H](C[NH2+]C[C@@H](O)Cn1cccn1)N(C)C(=O)Cc1c[nH]cn1 ZINC001444678982 1008218701 /nfs/dbraw/zinc/21/87/01/1008218701.db2.gz HATJRSHZVOPAES-TZMCWYRMSA-N 1 3 320.397 -0.354 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001445202722 1008300634 /nfs/dbraw/zinc/30/06/34/1008300634.db2.gz KVMGKBMSXSFCNY-CQSZACIVSA-N 1 3 321.425 -0.385 20 0 DBADHO Cn1nccc1CNC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001445225062 1008310619 /nfs/dbraw/zinc/31/06/19/1008310619.db2.gz MQHVFGVVFAUBRD-CQSZACIVSA-N 1 3 309.414 -0.671 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCCOC1 ZINC001445251391 1008320122 /nfs/dbraw/zinc/32/01/22/1008320122.db2.gz CWGHNALAPCLVBA-OLZOCXBDSA-N 1 3 310.398 -0.246 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001446991934 1008868298 /nfs/dbraw/zinc/86/82/98/1008868298.db2.gz XYPZRHZBXQZWAN-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1 ZINC001446991934 1008868299 /nfs/dbraw/zinc/86/82/99/1008868299.db2.gz XYPZRHZBXQZWAN-QLFBSQMISA-N 1 3 322.453 -0.003 20 0 DBADHO CCNC(=O)CNC[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001447280713 1009001741 /nfs/dbraw/zinc/00/17/41/1009001741.db2.gz NLZDQQFMMHVGCC-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO Cc1nc(CNC[C@@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001447292515 1009007686 /nfs/dbraw/zinc/00/76/86/1009007686.db2.gz UDRLQNSGISIRMQ-GFCCVEGCSA-N 1 3 310.402 -0.618 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC001447317479 1009023990 /nfs/dbraw/zinc/02/39/90/1009023990.db2.gz ZDUYVFWNTFGFBR-STQMWFEESA-N 1 3 312.414 -0.966 20 0 DBADHO CCNC(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC001447541870 1009150738 /nfs/dbraw/zinc/15/07/38/1009150738.db2.gz PKUHYVOUSGKWMN-STQMWFEESA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@@H](NCC(N)=O)[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001448464172 1009792388 /nfs/dbraw/zinc/79/23/88/1009792388.db2.gz VLQSRNGYLWIGBZ-DGCLKSJQSA-N 1 3 312.414 -0.981 20 0 DBADHO CC(=O)N[C@@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001448626159 1009829669 /nfs/dbraw/zinc/82/96/69/1009829669.db2.gz ALIJSLPIQHYMQN-MNOVXSKESA-N 1 3 314.430 -0.138 20 0 DBADHO C[C@@H](CN(C)C(=O)c1cc(Cl)c[nH]1)[NH2+]CC(=O)NC(N)=O ZINC001448625202 1009830051 /nfs/dbraw/zinc/83/00/51/1009830051.db2.gz CGGWUWSMCQUGLF-ZETCQYMHSA-N 1 3 315.761 -0.087 20 0 DBADHO C[C@H](CN(C)C(=O)[C@H]1CCNC(=O)C1)[NH2+]Cc1cncn1C ZINC001448626663 1009830057 /nfs/dbraw/zinc/83/00/57/1009830057.db2.gz CPVZNASJBCJMIH-NEPJUHHUSA-N 1 3 307.398 -0.117 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1cncn1C ZINC001448626664 1009830186 /nfs/dbraw/zinc/83/01/86/1009830186.db2.gz CPVZNASJBCJMIH-NWDGAFQWSA-N 1 3 307.398 -0.117 20 0 DBADHO C[C@H](CCNC(=O)C1(C[NH+](C)C)CC1)NC(=O)Cn1ncnn1 ZINC001448627882 1009830212 /nfs/dbraw/zinc/83/02/12/1009830212.db2.gz NILHQPIANHNCCP-LLVKDONJSA-N 1 3 323.401 -0.974 20 0 DBADHO CC(C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N[C@@H](C)C(=O)N(C)C ZINC001448626916 1009830268 /nfs/dbraw/zinc/83/02/68/1009830268.db2.gz BIYUORPTTJLJHQ-NEPJUHHUSA-N 1 3 314.430 -0.328 20 0 DBADHO CC(=O)N[C@H](C)C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001448626156 1009830711 /nfs/dbraw/zinc/83/07/11/1009830711.db2.gz ALIJSLPIQHYMQN-GHMZBOCLSA-N 1 3 314.430 -0.138 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCc2cnn(C)c2)C1 ZINC001448910373 1010050463 /nfs/dbraw/zinc/05/04/63/1010050463.db2.gz PXIMGHBAESSBNV-UKRRQHHQSA-N 1 3 323.441 -0.629 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCc2ccc(CO)cc2)C1 ZINC001448952318 1010110797 /nfs/dbraw/zinc/11/07/97/1010110797.db2.gz LEVRVUZLLWJYOZ-HZPDHXFCSA-N 1 3 321.421 -0.303 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](CO)NCc2ccc(CO)cc2)C1 ZINC001448952318 1010110814 /nfs/dbraw/zinc/11/08/14/1010110814.db2.gz LEVRVUZLLWJYOZ-HZPDHXFCSA-N 1 3 321.421 -0.303 20 0 DBADHO CN(CCCNC(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001479812041 1010398074 /nfs/dbraw/zinc/39/80/74/1010398074.db2.gz FMRRFCOVTNFPKY-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCN(C)C1=O ZINC001479812041 1010398092 /nfs/dbraw/zinc/39/80/92/1010398092.db2.gz FMRRFCOVTNFPKY-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1)C1CCC1 ZINC001480141574 1010552371 /nfs/dbraw/zinc/55/23/71/1010552371.db2.gz DZRCXINKXBXHRR-JOCQHMNTSA-N 1 3 306.414 -0.001 20 0 DBADHO C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)N[C@@H]1CCNC1=O ZINC001480485608 1010663909 /nfs/dbraw/zinc/66/39/09/1010663909.db2.gz FFYQKLHJVKKWGW-CHWSQXEVSA-N 1 3 308.426 -0.155 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001480682599 1010738190 /nfs/dbraw/zinc/73/81/90/1010738190.db2.gz GVANNHGPYIOEBE-QWHCGFSZSA-N 1 3 324.425 -0.430 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001480805326 1010765003 /nfs/dbraw/zinc/76/50/03/1010765003.db2.gz PGYJZGALNOJMSB-LLVKDONJSA-N 1 3 322.413 -0.230 20 0 DBADHO CN(CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)C1CCC1 ZINC001450644752 1010779385 /nfs/dbraw/zinc/77/93/85/1010779385.db2.gz AUHYDZDNNMQQSW-CQSZACIVSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)C1CCC1 ZINC001450644752 1010779392 /nfs/dbraw/zinc/77/93/92/1010779392.db2.gz AUHYDZDNNMQQSW-CQSZACIVSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001481231257 1010866419 /nfs/dbraw/zinc/86/64/19/1010866419.db2.gz UPCCAUJJCFVRPM-AWEZNQCLSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)NC(=O)CNCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001481231258 1010867197 /nfs/dbraw/zinc/86/71/97/1010867197.db2.gz UPCCAUJJCFVRPM-CQSZACIVSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001481231443 1010868142 /nfs/dbraw/zinc/86/81/42/1010868142.db2.gz APKIQXDXUUCRHY-BFHYXJOUSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001481231443 1010868147 /nfs/dbraw/zinc/86/81/47/1010868147.db2.gz APKIQXDXUUCRHY-BFHYXJOUSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(CCNCCS(C)(=O)=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001481272167 1010879340 /nfs/dbraw/zinc/87/93/40/1010879340.db2.gz CNRKJOVMJAFYON-UHFFFAOYSA-N 1 3 305.444 -0.579 20 0 DBADHO CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H]1CCNC1=O ZINC001481828881 1011011193 /nfs/dbraw/zinc/01/11/93/1011011193.db2.gz HMFOJUPOOLUXBV-OLZOCXBDSA-N 1 3 308.426 -0.012 20 0 DBADHO CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NCC(=O)NC ZINC001481863849 1011017850 /nfs/dbraw/zinc/01/78/50/1011017850.db2.gz JTBBYXCYKOMVLL-LBPRGKRZSA-N 1 3 314.430 -0.672 20 0 DBADHO CC[C@@H](CNC(=O)CN(C)C(C)C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001481883302 1011022637 /nfs/dbraw/zinc/02/26/37/1011022637.db2.gz XNYVVZKBFWUIPN-QWRGUYRKSA-N 1 3 315.418 -0.606 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001482173673 1011073439 /nfs/dbraw/zinc/07/34/39/1011073439.db2.gz PVFNPDSXBBYNFH-WDEREUQCSA-N 1 3 315.418 -0.748 20 0 DBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001482283853 1011107763 /nfs/dbraw/zinc/10/77/63/1011107763.db2.gz QHUKNVVOOZRVPR-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)C23CCC[NH+]2CCC3)cn1 ZINC001482746658 1011375918 /nfs/dbraw/zinc/37/59/18/1011375918.db2.gz GXFVRFMITLOARK-AWEZNQCLSA-N 1 3 321.425 -0.385 20 0 DBADHO COCC[NH2+]C[C@H](O)CNC(=O)[C@H](C)N1CCCCCC1 ZINC001482773308 1011428629 /nfs/dbraw/zinc/42/86/29/1011428629.db2.gz AAYLGSPYKFXVNS-KBPBESRZSA-N 1 3 301.431 -0.036 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CCc1cnn(C)c1 ZINC001482787637 1011463339 /nfs/dbraw/zinc/46/33/39/1011463339.db2.gz JAUYVVBHKDNVMZ-ZDUSSCGKSA-N 1 3 320.397 -0.696 20 0 DBADHO CC(C)[C@H](C(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001483057909 1011651575 /nfs/dbraw/zinc/65/15/75/1011651575.db2.gz SBPNHSDPCWYSSX-BYVUIAOWSA-N 1 3 324.425 -0.360 20 0 DBADHO C[NH+]1CCC(OCC(=O)NC/C=C\CN[C@H]2CCNC2=O)CC1 ZINC001483077988 1011668051 /nfs/dbraw/zinc/66/80/51/1011668051.db2.gz WZFBJSYMFUTUJG-SFAKSCPVSA-N 1 3 324.425 -0.752 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NCC2CC2)C2CC2)C1 ZINC001483605631 1011965951 /nfs/dbraw/zinc/96/59/51/1011965951.db2.gz PGZRRTKLYWORDL-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H](CNCC(=O)NCC2CC2)C2CC2)C1 ZINC001483605631 1011965962 /nfs/dbraw/zinc/96/59/62/1011965962.db2.gz PGZRRTKLYWORDL-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCOCCO)C2)CC[N@@H+]1C ZINC001484045357 1012274107 /nfs/dbraw/zinc/27/41/07/1012274107.db2.gz QWAQBUFQEWEWLU-FMKPAKJESA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H]1[C@H](C(=O)N[C@@]2(C)CCN(CCOCCO)C2)CC[N@H+]1C ZINC001484045357 1012274125 /nfs/dbraw/zinc/27/41/25/1012274125.db2.gz QWAQBUFQEWEWLU-FMKPAKJESA-N 1 3 313.442 -0.084 20 0 DBADHO CC[C@H](C(=O)NC[C@@]1(O)CCN(CCO)C1)[NH+](CC)CC ZINC001484234263 1012430127 /nfs/dbraw/zinc/43/01/27/1012430127.db2.gz AUVDFKZHTJNXNL-HIFRSBDPSA-N 1 3 301.431 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/nfs/dbraw/zinc/77/44/18/1012774418.db2.gz JQQBYWZETDUSOL-JOCQHMNTSA-N 1 3 323.445 -0.074 20 0 DBADHO CC[C@H](NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O ZINC001484695325 1012834866 /nfs/dbraw/zinc/83/48/66/1012834866.db2.gz COYPYFHIEFWPNJ-OLZOCXBDSA-N 1 3 324.425 -0.837 20 0 DBADHO CC[C@H](NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1)C(N)=O ZINC001484695330 1012835462 /nfs/dbraw/zinc/83/54/62/1012835462.db2.gz COYPYFHIEFWPNJ-STQMWFEESA-N 1 3 324.425 -0.837 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@](CO)([NH2+]CCOC)C1)N(C)C ZINC001484847569 1012877329 /nfs/dbraw/zinc/87/73/29/1012877329.db2.gz DGFNVNRPBFWXFO-ZFWWWQNUSA-N 1 3 301.431 -0.084 20 0 DBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001496997176 1017181014 /nfs/dbraw/zinc/18/10/14/1017181014.db2.gz FAIWPEKAPNSFQH-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C)C(=O)CNC[C@H](O)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001496997176 1017181021 /nfs/dbraw/zinc/18/10/21/1017181021.db2.gz FAIWPEKAPNSFQH-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 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314.430 -0.720 20 0 DBADHO Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001580000917 1020619997 /nfs/dbraw/zinc/61/99/97/1020619997.db2.gz LXCYGANRLZNYOF-CYBMUJFWSA-N 1 3 307.398 -0.138 20 0 DBADHO [NH3+]CCn1cc(C(=O)NC[C@@H]2CCN2C2CCOCC2)nn1 ZINC001580320235 1020690904 /nfs/dbraw/zinc/69/09/04/1020690904.db2.gz UUDDWEXAGGRTMG-LBPRGKRZSA-N 1 3 308.386 -0.780 20 0 DBADHO [NH3+]Cc1ccc2nc(C(=O)N3CC(N[C@H]4CCOC4)C3)cn2c1 ZINC001580341265 1020695627 /nfs/dbraw/zinc/69/56/27/1020695627.db2.gz WREFGEDPOLCUDT-LBPRGKRZSA-N 1 3 315.377 -0.004 20 0 DBADHO O=S(=O)(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CCNCC1 ZINC001580867790 1020809894 /nfs/dbraw/zinc/80/98/94/1020809894.db2.gz UIHRIOOKUQLCHP-CQSZACIVSA-N 1 3 316.471 -0.010 20 0 DBADHO O=S(=O)(N[C@@H]1CC[N@@H+](CC2CCCC2)C1)N1CCNCC1 ZINC001580867790 1020809897 /nfs/dbraw/zinc/80/98/97/1020809897.db2.gz UIHRIOOKUQLCHP-CQSZACIVSA-N 1 3 316.471 -0.010 20 0 DBADHO CN(CC(=O)NCCNC(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001522709951 1021847874 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C[C@@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCn1cncn1 ZINC001568194034 1024874687 /nfs/dbraw/zinc/87/46/87/1024874687.db2.gz PMGJOZHTPCTNFC-UONOGXRCSA-N 1 3 308.430 -0.038 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568791422 1025019556 /nfs/dbraw/zinc/01/95/56/1025019556.db2.gz IVMDPDXTTBLMIY-CHWSQXEVSA-N 1 3 324.425 -0.429 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001568791422 1025019568 /nfs/dbraw/zinc/01/95/68/1025019568.db2.gz IVMDPDXTTBLMIY-CHWSQXEVSA-N 1 3 324.425 -0.429 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001568998177 1025112259 /nfs/dbraw/zinc/11/22/59/1025112259.db2.gz VSVDYYFQBWXGBR-OLZOCXBDSA-N 1 3 319.471 0.000 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568998177 1025112262 /nfs/dbraw/zinc/11/22/62/1025112262.db2.gz VSVDYYFQBWXGBR-OLZOCXBDSA-N 1 3 319.471 0.000 20 0 DBADHO CC(C)[C@@H](C(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1)[NH+](C)C ZINC001569429024 1025248744 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CC(C)Nc1nc(NCCO)nc(N[C@@H](C)CC[NH+](C)C)n1 ZINC000341935918 138116689 /nfs/dbraw/zinc/11/66/89/138116689.db2.gz SYTLVNUHAQSXKA-NSHDSACASA-N 1 3 311.434 -0.886 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)CCCO1 ZINC000372936306 138170289 /nfs/dbraw/zinc/17/02/89/138170289.db2.gz VYYFTAUFKSORHZ-CVEARBPZSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2CN3CCN2CCC3)CCCO1 ZINC000372936306 138170290 /nfs/dbraw/zinc/17/02/90/138170290.db2.gz VYYFTAUFKSORHZ-CVEARBPZSA-N 1 3 324.469 -0.007 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)NC[C@H]1CCCCN1CCO ZINC000418305586 237339427 /nfs/dbraw/zinc/33/94/27/237339427.db2.gz OYVXTMXDDFBUPZ-CQSZACIVSA-N 1 3 313.446 -0.962 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1=O ZINC000425047939 237391059 /nfs/dbraw/zinc/39/10/59/237391059.db2.gz AQXCKKXBGKJNMI-SOUVJXGZSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)CC1=O ZINC000425047939 237391068 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C[N@@H+](C[C@@H](O)CNCCCn1nc2n(c1=O)CCCC2)C1CC1 ZINC000562984440 284018967 /nfs/dbraw/zinc/01/89/67/284018967.db2.gz IAHZPAUDYUYPEI-AWEZNQCLSA-N 1 3 323.441 -0.184 20 0 DBADHO CCN1CCN(C(=O)[C@@H](C)N2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000563214860 284029457 /nfs/dbraw/zinc/02/94/57/284029457.db2.gz GHYJUSCDEBGFPC-HZPDHXFCSA-N 1 3 323.485 -0.482 20 0 DBADHO CN(C)[C@]1(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])CCSC1 ZINC000563588443 284043865 /nfs/dbraw/zinc/04/38/65/284043865.db2.gz MTFDDWFEKDTJLM-OCCSQVGLSA-N 1 3 315.487 -0.292 20 0 DBADHO CCC[N@H+](CC)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563458809 284041115 /nfs/dbraw/zinc/04/11/15/284041115.db2.gz UYBLTRWVWOGPLJ-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO CCC[N@@H+](CC)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000563458809 284041119 /nfs/dbraw/zinc/04/11/19/284041119.db2.gz UYBLTRWVWOGPLJ-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO C[C@H](CNC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C[NH+]1CCCC1 ZINC000563457182 284041398 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VJDCTFHQMJLSJZ-MCIONIFRSA-N 1 3 308.426 -0.345 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CCO1 ZINC000642785876 374571283 /nfs/dbraw/zinc/57/12/83/374571283.db2.gz ORMKNBIAJODSRO-FPMFFAJLSA-N 1 3 324.425 -0.839 20 0 DBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000642785687 374571700 /nfs/dbraw/zinc/57/17/00/374571700.db2.gz DFQMBQKEDFJWNZ-ZIAGYGMSSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000642785944 374573567 /nfs/dbraw/zinc/57/35/67/374573567.db2.gz SUVXWIMZOOTSNQ-UONOGXRCSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000642785893 374574405 /nfs/dbraw/zinc/57/44/05/374574405.db2.gz PBJYOZMRYGTBQG-YOEHRIQHSA-N 1 3 320.437 -0.201 20 0 DBADHO CC(CCN1CCOC[C@@H](O)C1)CC[N@@H+]1CCOC[C@@H](O)C1 ZINC000568730295 374612456 /nfs/dbraw/zinc/61/24/56/374612456.db2.gz VOMNWMXVIMBKJX-HOTGVXAUSA-N 1 3 316.442 -0.211 20 0 DBADHO CC(CCN1CCOC[C@@H](O)C1)CC[N@H+]1CCOC[C@@H](O)C1 ZINC000568730295 374612466 /nfs/dbraw/zinc/61/24/66/374612466.db2.gz VOMNWMXVIMBKJX-HOTGVXAUSA-N 1 3 316.442 -0.211 20 0 DBADHO C[C@@H](CCN1CCOC[C@H](O)C1)CC[N@@H+]1CCOC[C@@H](O)C1 ZINC000568730297 374613825 /nfs/dbraw/zinc/61/38/25/374613825.db2.gz VOMNWMXVIMBKJX-MUJYYYPQSA-N 1 3 316.442 -0.211 20 0 DBADHO C[C@@H](CCN1CCOC[C@H](O)C1)CC[N@H+]1CCOC[C@@H](O)C1 ZINC000568730297 374613835 /nfs/dbraw/zinc/61/38/35/374613835.db2.gz VOMNWMXVIMBKJX-MUJYYYPQSA-N 1 3 316.442 -0.211 20 0 DBADHO C[C@H](CCN1CCOC[C@@H](O)C1)CC[N@@H+]1CCOC[C@H](O)C1 ZINC000568730297 374613844 /nfs/dbraw/zinc/61/38/44/374613844.db2.gz VOMNWMXVIMBKJX-MUJYYYPQSA-N 1 3 316.442 -0.211 20 0 DBADHO C[C@H](CCN1CCOC[C@@H](O)C1)CC[N@H+]1CCOC[C@H](O)C1 ZINC000568730297 374613852 /nfs/dbraw/zinc/61/38/52/374613852.db2.gz VOMNWMXVIMBKJX-MUJYYYPQSA-N 1 3 316.442 -0.211 20 0 DBADHO CC(C)[N@H+](C)CCNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000632254888 374763446 /nfs/dbraw/zinc/76/34/46/374763446.db2.gz CIZDNEBZNPTSEQ-UHFFFAOYSA-N 1 3 320.503 -0.117 20 0 DBADHO CC(C)[N@@H+](C)CCNS(=O)(=O)CCCN1CCN(C)CC1 ZINC000632254888 374763450 /nfs/dbraw/zinc/76/34/50/374763450.db2.gz CIZDNEBZNPTSEQ-UHFFFAOYSA-N 1 3 320.503 -0.117 20 0 DBADHO CN(CC[NH+]1CCCC1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410439637 374812835 /nfs/dbraw/zinc/81/28/35/374812835.db2.gz WCBXQCNOXGQUOH-UONOGXRCSA-N 1 3 308.426 -0.297 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1=O ZINC000152726735 374968753 /nfs/dbraw/zinc/96/87/53/374968753.db2.gz APJKRWJUNWHIBD-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000642910689 374992723 /nfs/dbraw/zinc/99/27/23/374992723.db2.gz LKDNKAQXAKWXEC-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCC[NH2+]C1CC1 ZINC000642919665 375021457 /nfs/dbraw/zinc/02/14/57/375021457.db2.gz DFDYBXXXIOLMIF-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+][C@@H]1CC[C@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000237954558 375048500 /nfs/dbraw/zinc/04/85/00/375048500.db2.gz FDOTVPKYEROBQT-UONOGXRCSA-N 1 3 308.426 -0.120 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627361822 375120272 /nfs/dbraw/zinc/12/02/72/375120272.db2.gz ZXQIFOBRILNOOE-QWHCGFSZSA-N 1 3 314.430 -0.672 20 0 DBADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000635864727 375278217 /nfs/dbraw/zinc/27/82/17/375278217.db2.gz KQPGRZCAXSTZOE-GASCZTMLSA-N 1 3 313.442 -0.009 20 0 DBADHO COCCOCCN(C)CCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000635864727 375278221 /nfs/dbraw/zinc/27/82/21/375278221.db2.gz KQPGRZCAXSTZOE-GASCZTMLSA-N 1 3 313.442 -0.009 20 0 DBADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000635975895 375290496 /nfs/dbraw/zinc/29/04/96/375290496.db2.gz DCPRQUOLEGLKCO-ILXRZTDVSA-N 1 3 311.426 -0.187 20 0 DBADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000635975895 375290504 /nfs/dbraw/zinc/29/05/04/375290504.db2.gz DCPRQUOLEGLKCO-ILXRZTDVSA-N 1 3 311.426 -0.187 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CCC1 ZINC000569836004 375318576 /nfs/dbraw/zinc/31/85/76/375318576.db2.gz VCWUTQYEZXKUHN-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO CC[C@@H]1CN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C[C@H](C)N1 ZINC000620903691 375257235 /nfs/dbraw/zinc/25/72/35/375257235.db2.gz YTMHVEJTOWVFTM-MELADBBJSA-N 1 3 310.442 -0.005 20 0 DBADHO COCC[NH+]1CCC(NC(=O)NCCN2CC[C@@H](O)C2)CC1 ZINC000636647915 375713686 /nfs/dbraw/zinc/71/36/86/375713686.db2.gz KLPGUANSGFGWOX-CQSZACIVSA-N 1 3 314.430 -0.537 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CCN2C1=O ZINC000594881487 375965828 /nfs/dbraw/zinc/96/58/28/375965828.db2.gz VQMPHDNJTFRGDW-BCUIYNNISA-N 1 3 306.410 -0.463 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595266314 375983135 /nfs/dbraw/zinc/98/31/35/375983135.db2.gz PVKIVNBIOSGDEZ-SYQHCUMBSA-N 1 3 321.425 -0.433 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CCN2C1=O ZINC000595266314 375983143 /nfs/dbraw/zinc/98/31/43/375983143.db2.gz PVKIVNBIOSGDEZ-SYQHCUMBSA-N 1 3 321.425 -0.433 20 0 DBADHO CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595264760 375984997 /nfs/dbraw/zinc/98/49/97/375984997.db2.gz CSIPJTUBLGRTKE-HZSPNIEDSA-N 1 3 323.441 -0.186 20 0 DBADHO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000595264760 375985009 /nfs/dbraw/zinc/98/50/09/375985009.db2.gz CSIPJTUBLGRTKE-HZSPNIEDSA-N 1 3 323.441 -0.186 20 0 DBADHO CCC[N@@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595274295 375988610 /nfs/dbraw/zinc/98/86/10/375988610.db2.gz UWOCZCTZKRXLNA-AVGNSLFASA-N 1 3 309.414 -0.576 20 0 DBADHO CCC[N@H+]1CC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000595274295 375988623 /nfs/dbraw/zinc/98/86/23/375988623.db2.gz UWOCZCTZKRXLNA-AVGNSLFASA-N 1 3 309.414 -0.576 20 0 DBADHO C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000595270058 375988777 /nfs/dbraw/zinc/98/87/77/375988777.db2.gz BOKQMTXGAQSGOT-QNWHQSFQSA-N 1 3 309.414 -0.720 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)NCCC3CC[NH2+]CC3)CCN2C1=O ZINC000595271928 375989745 /nfs/dbraw/zinc/98/97/45/375989745.db2.gz QHMSRUZKJAJDEM-OLZOCXBDSA-N 1 3 309.414 -0.671 20 0 DBADHO CC(C)[NH+]1CCN([C@H]2CCN(c3nc(N)nc(N)n3)C2)CC1 ZINC000599058090 376238569 /nfs/dbraw/zinc/23/85/69/376238569.db2.gz QUKAIKTYPUNQRO-NSHDSACASA-N 1 3 306.418 -0.699 20 0 DBADHO CC(C)N1CCN([C@H]2CCN(C(=O)CN3CC[NH2+]CC3)C2)CC1 ZINC000602481509 376447381 /nfs/dbraw/zinc/44/73/81/376447381.db2.gz MEOUDJSRWZWTIK-INIZCTEOSA-N 1 3 323.485 -0.482 20 0 DBADHO CN(C)[C@@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)C1CC1 ZINC000602477224 376447666 /nfs/dbraw/zinc/44/76/66/376447666.db2.gz ZIZNIWCGOXXDFA-FKIZINRSSA-N 1 3 301.456 -0.057 20 0 DBADHO CN(CCN(C)C1CC[NH+](C)CC1)CCN1C(=O)CNC1=O ZINC000162186954 376456443 /nfs/dbraw/zinc/45/64/43/376456443.db2.gz POHYVVPBJDOACF-UHFFFAOYSA-N 1 3 311.430 -0.504 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)CC1=O ZINC000365925628 376919132 /nfs/dbraw/zinc/91/91/32/376919132.db2.gz JLUALMUMWVISJC-MELADBBJSA-N 1 3 308.426 -0.584 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1=O ZINC000365925628 376919140 /nfs/dbraw/zinc/91/91/40/376919140.db2.gz JLUALMUMWVISJC-MELADBBJSA-N 1 3 308.426 -0.584 20 0 DBADHO CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410888324 377111125 /nfs/dbraw/zinc/11/11/25/377111125.db2.gz VDDHKJIQHSJHPC-UONOGXRCSA-N 1 3 310.442 -0.053 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000531721078 377081875 /nfs/dbraw/zinc/08/18/75/377081875.db2.gz CIHHGZUUQUDRDU-KGLIPLIRSA-N 1 3 308.426 -0.297 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000531721078 377081883 /nfs/dbraw/zinc/08/18/83/377081883.db2.gz CIHHGZUUQUDRDU-KGLIPLIRSA-N 1 3 308.426 -0.297 20 0 DBADHO COCC[NH+]1CCC(NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC000263240269 377183258 /nfs/dbraw/zinc/18/32/58/377183258.db2.gz KXKCUCLUGMAZOD-AWEZNQCLSA-N 1 3 314.430 -0.687 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCNC(=O)C1CC1 ZINC000607227202 377307193 /nfs/dbraw/zinc/30/71/93/377307193.db2.gz IDZUVRJJAIBHBZ-UHFFFAOYSA-N 1 3 313.446 -0.353 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1COCCO1 ZINC000607234518 377308380 /nfs/dbraw/zinc/30/83/80/377308380.db2.gz FAGXQDPJFWJKHZ-ZDUSSCGKSA-N 1 3 302.419 -0.463 20 0 DBADHO C[C@@H]1CN(CCC[NH2+]Cc2cn(C)c(=O)n(C)c2=O)CCCO1 ZINC000278022118 377614624 /nfs/dbraw/zinc/61/46/24/377614624.db2.gz WLRRAKPZEOMOEV-CYBMUJFWSA-N 1 3 324.425 -0.326 20 0 DBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)[C@]3(C)CNCCO3)C2)CC1 ZINC000638116282 377841476 /nfs/dbraw/zinc/84/14/76/377841476.db2.gz JEHIOINSITXZDX-BBRMVZONSA-N 1 3 310.442 -0.350 20 0 DBADHO CN(C)CCN(Cc1ccccn1)C(=O)CN1CC[NH2+]CC1 ZINC000638275987 377867997 /nfs/dbraw/zinc/86/79/97/377867997.db2.gz DFPVAOCGIBTBAV-UHFFFAOYSA-N 1 3 305.426 -0.123 20 0 DBADHO C[C@]1(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CNCCO1 ZINC000638335742 377876944 /nfs/dbraw/zinc/87/69/44/377876944.db2.gz MZBPQHLXOBNAGQ-ZBCRRDGASA-N 1 3 310.442 -0.303 20 0 DBADHO C[C@]1(C(=O)NC2CCC([NH+]3CCNCC3)CC2)CNCCO1 ZINC000638335742 377876947 /nfs/dbraw/zinc/87/69/47/377876947.db2.gz MZBPQHLXOBNAGQ-ZBCRRDGASA-N 1 3 310.442 -0.303 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638136929 377851249 /nfs/dbraw/zinc/85/12/49/377851249.db2.gz PGHGGKLKRCWNIC-YCPHGPKFSA-N 1 3 312.458 -0.104 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000638438751 377917331 /nfs/dbraw/zinc/91/73/31/377917331.db2.gz ZGZLQUZKJSLWBN-AWEZNQCLSA-N 1 3 305.378 -0.234 20 0 DBADHO CC(C)[C@@H]1CNCCN1C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000638490834 377943130 /nfs/dbraw/zinc/94/31/30/377943130.db2.gz YRYLPLNOQALDMY-KBPBESRZSA-N 1 3 310.442 -0.147 20 0 DBADHO O=C(CN1CCNCC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000638411111 377901962 /nfs/dbraw/zinc/90/19/62/377901962.db2.gz KTYRBBPRWMIUBS-UHFFFAOYSA-N 1 3 324.469 -0.101 20 0 DBADHO CN(C(=O)[C@]1(C)CNCCO1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638428183 377912760 /nfs/dbraw/zinc/91/27/60/377912760.db2.gz SKKZBMAHDKJAGT-WBVHZDCISA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C(=O)[C@]1(C)CNCCO1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000638428183 377912761 /nfs/dbraw/zinc/91/27/61/377912761.db2.gz SKKZBMAHDKJAGT-WBVHZDCISA-N 1 3 324.469 -0.008 20 0 DBADHO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1COCCN1 ZINC000638613245 378026597 /nfs/dbraw/zinc/02/65/97/378026597.db2.gz UWHQWYGXTKVBAT-HUUCEWRRSA-N 1 3 306.410 -0.450 20 0 DBADHO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1COCCN1 ZINC000638613245 378026603 /nfs/dbraw/zinc/02/66/03/378026603.db2.gz UWHQWYGXTKVBAT-HUUCEWRRSA-N 1 3 306.410 -0.450 20 0 DBADHO C[C@@]1(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)CNCCO1 ZINC000638983235 378279158 /nfs/dbraw/zinc/27/91/58/378279158.db2.gz DTMVEGUGEDDGFH-HNNXBMFYSA-N 1 3 305.382 -0.192 20 0 DBADHO O=C(C[C@@H]1COCCN1)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638983762 378279604 /nfs/dbraw/zinc/27/96/04/378279604.db2.gz DWGHSFDSYCRBPY-GFCCVEGCSA-N 1 3 305.382 -0.192 20 0 DBADHO CN1CCN(CC[NH2+]C[C@@H](O)CN2CCOCC2)CC1(C)C ZINC000583495382 378311704 /nfs/dbraw/zinc/31/17/04/378311704.db2.gz BUBCAZGEUWPIMP-OAHLLOKOSA-N 1 3 314.474 -0.705 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000183379368 378331034 /nfs/dbraw/zinc/33/10/34/378331034.db2.gz MVFDUYIFEGUUIX-ZDUSSCGKSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)S(C)(=O)=O ZINC000617504826 378367169 /nfs/dbraw/zinc/36/71/69/378367169.db2.gz LZUPRKKOVRXSCL-NWDGAFQWSA-N 1 3 307.460 -0.192 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)[C@H]1COCCN1C ZINC000617506646 378369568 /nfs/dbraw/zinc/36/95/68/378369568.db2.gz VBKMZCOWUGCCOF-UONOGXRCSA-N 1 3 300.447 -0.295 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)[C@H]1COCCN1C ZINC000617506646 378369572 /nfs/dbraw/zinc/36/95/72/378369572.db2.gz VBKMZCOWUGCCOF-UONOGXRCSA-N 1 3 300.447 -0.295 20 0 DBADHO CN(C)S(=O)(=O)CC[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000639199440 378370026 /nfs/dbraw/zinc/37/00/26/378370026.db2.gz XWYBTPBABKWNBG-UHFFFAOYSA-N 1 3 307.460 -0.297 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000332235604 378541210 /nfs/dbraw/zinc/54/12/10/378541210.db2.gz OFLPMAXHZOKZGP-BFHYXJOUSA-N 1 3 308.426 -0.121 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000332254266 378541505 /nfs/dbraw/zinc/54/15/05/378541505.db2.gz TUKLXAQQJPIIBH-MCIONIFRSA-N 1 3 308.426 -0.108 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NC1CC[NH2+]CC1 ZINC000332561400 378543712 /nfs/dbraw/zinc/54/37/12/378543712.db2.gz QUIOQYJNHVTBNI-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2C)CC[C@@H]1[NH3+] ZINC000332610211 378546196 /nfs/dbraw/zinc/54/61/96/378546196.db2.gz LIVMTWCKTDHTOZ-RFGFWPKPSA-N 1 3 308.426 -0.123 20 0 DBADHO CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000331728633 378535839 /nfs/dbraw/zinc/53/58/39/378535839.db2.gz ZPFIWGLKPVWIOL-UONOGXRCSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC(NC(=O)C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000331728633 378535847 /nfs/dbraw/zinc/53/58/47/378535847.db2.gz ZPFIWGLKPVWIOL-UONOGXRCSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000331603527 378536100 /nfs/dbraw/zinc/53/61/00/378536100.db2.gz HVYGAJFAKCTHOQ-RWMBFGLXSA-N 1 3 324.425 -0.478 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000331603527 378536106 /nfs/dbraw/zinc/53/61/06/378536106.db2.gz HVYGAJFAKCTHOQ-RWMBFGLXSA-N 1 3 324.425 -0.478 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000331603544 378536155 /nfs/dbraw/zinc/53/61/55/378536155.db2.gz HVYGAJFAKCTHOQ-YNEHKIRRSA-N 1 3 324.425 -0.478 20 0 DBADHO C[C@@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000331603544 378536159 /nfs/dbraw/zinc/53/61/59/378536159.db2.gz HVYGAJFAKCTHOQ-YNEHKIRRSA-N 1 3 324.425 -0.478 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1=O ZINC000353432263 378659273 /nfs/dbraw/zinc/65/92/73/378659273.db2.gz VLUMRIGPXMUCDX-BFHYXJOUSA-N 1 3 308.426 -0.536 20 0 DBADHO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[C@@]1(F)CCNC1 ZINC000367179865 378757269 /nfs/dbraw/zinc/75/72/69/378757269.db2.gz QQOCLIRUHZXDMD-GXSJLCMTSA-N 1 3 312.311 -0.360 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000354897865 378771666 /nfs/dbraw/zinc/77/16/66/378771666.db2.gz JBVCINUDZWBPRO-MRXNPFEDSA-N 1 3 324.469 -0.053 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000354897865 378771670 /nfs/dbraw/zinc/77/16/70/378771670.db2.gz JBVCINUDZWBPRO-MRXNPFEDSA-N 1 3 324.469 -0.053 20 0 DBADHO C[NH+](C)C1(CNC(=O)[C@H]2CN3CCN2CCC3)CCOCC1 ZINC000367196583 378800215 /nfs/dbraw/zinc/80/02/15/378800215.db2.gz NDIZNXDRHFGMEC-CQSZACIVSA-N 1 3 310.442 -0.397 20 0 DBADHO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000355354130 378807956 /nfs/dbraw/zinc/80/79/56/378807956.db2.gz RKFMCGJLWMOIIU-OAGGEKHMSA-N 1 3 322.453 -0.302 20 0 DBADHO CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CN4CCN3CCC4)[C@@H]2C1 ZINC000355354130 378807963 /nfs/dbraw/zinc/80/79/63/378807963.db2.gz RKFMCGJLWMOIIU-OAGGEKHMSA-N 1 3 322.453 -0.302 20 0 DBADHO CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000355354103 378808132 /nfs/dbraw/zinc/80/81/32/378808132.db2.gz RKFMCGJLWMOIIU-JYJNAYRXSA-N 1 3 322.453 -0.302 20 0 DBADHO CC[N@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CN4CCN3CCC4)[C@H]2C1 ZINC000355354103 378808141 /nfs/dbraw/zinc/80/81/41/378808141.db2.gz RKFMCGJLWMOIIU-JYJNAYRXSA-N 1 3 322.453 -0.302 20 0 DBADHO C[C@@H](C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)C1C[NH2+]C1 ZINC000357250453 378932740 /nfs/dbraw/zinc/93/27/40/378932740.db2.gz UDTZLEZHXMXOHQ-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCOCC[NH+](C)C ZINC000360278996 379249670 /nfs/dbraw/zinc/24/96/70/379249670.db2.gz MDDWKVLNNHSRBC-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000361827176 379389651 /nfs/dbraw/zinc/38/96/51/379389651.db2.gz FLMBBLNVBAKGJX-ZIAGYGMSSA-N 1 3 308.426 -0.154 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000361827176 379389660 /nfs/dbraw/zinc/38/96/60/379389660.db2.gz FLMBBLNVBAKGJX-ZIAGYGMSSA-N 1 3 308.426 -0.154 20 0 DBADHO CN1CCN(c2ncc(CNCCOCC[NH+](C)C)cn2)CC1 ZINC000361951626 379402991 /nfs/dbraw/zinc/40/29/91/379402991.db2.gz LFOVPYNWFWNTGT-UHFFFAOYSA-N 1 3 322.457 -0.104 20 0 DBADHO N[C@H](CC(F)F)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000582421371 379651282 /nfs/dbraw/zinc/65/12/82/379651282.db2.gz AKWKNKIYDLTCDK-NXEZZACHSA-N 1 3 306.357 -0.185 20 0 DBADHO C[C@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582410501 379648887 /nfs/dbraw/zinc/64/88/87/379648887.db2.gz PIQRUIJGCNMTHB-NWDGAFQWSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582410501 379648894 /nfs/dbraw/zinc/64/88/94/379648894.db2.gz PIQRUIJGCNMTHB-NWDGAFQWSA-N 1 3 308.426 -0.156 20 0 DBADHO O=C(C[C@H]1CNCCO1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000374524522 379659649 /nfs/dbraw/zinc/65/96/49/379659649.db2.gz WGGRUBLYVOCZEM-QWRGUYRKSA-N 1 3 324.347 -0.683 20 0 DBADHO CCCN(C(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[C@H]1CC[NH2+]C1 ZINC000178909124 379735433 /nfs/dbraw/zinc/73/54/33/379735433.db2.gz GHQGYXOJFKZNIC-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CCC[NH2+]2)cn1 ZINC000178812361 379738049 /nfs/dbraw/zinc/73/80/49/379738049.db2.gz BWJYITAHLAYKEX-GFCCVEGCSA-N 1 3 322.413 -0.359 20 0 DBADHO CCN1CCN(C[C@@H](C)CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000187981596 379769460 /nfs/dbraw/zinc/76/94/60/379769460.db2.gz KQYLORPRLVXNDC-SOUVJXGZSA-N 1 3 312.458 -0.247 20 0 DBADHO CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000187946103 379769520 /nfs/dbraw/zinc/76/95/20/379769520.db2.gz PTNJPUCJWYZVEA-UONOGXRCSA-N 1 3 324.425 -0.870 20 0 DBADHO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000584778737 379843651 /nfs/dbraw/zinc/84/36/51/379843651.db2.gz WSYIANUWAVZANI-YPMHNXCESA-N 1 3 322.413 -0.503 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000584778736 379843771 /nfs/dbraw/zinc/84/37/71/379843771.db2.gz WSYIANUWAVZANI-WCQYABFASA-N 1 3 322.413 -0.503 20 0 DBADHO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCCOCCN(C)C ZINC000419779867 379968348 /nfs/dbraw/zinc/96/83/48/379968348.db2.gz PZYIBIDGVYSDTF-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419785077 379968759 /nfs/dbraw/zinc/96/87/59/379968759.db2.gz YHFVKEMQHVEHBF-OLZOCXBDSA-N 1 3 314.430 -0.686 20 0 DBADHO C[NH+](C)CCOCCNC(=O)C(=O)NC[C@@H](N)c1ccccc1 ZINC000419783354 379969847 /nfs/dbraw/zinc/96/98/47/379969847.db2.gz VLYYIWYKELZQKP-CQSZACIVSA-N 1 3 322.409 -0.503 20 0 DBADHO C[NH2+][C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C1 ZINC000419689629 379954634 /nfs/dbraw/zinc/95/46/34/379954634.db2.gz ARGUAMRYMBBEHS-OLZOCXBDSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCCNCC1 ZINC000419698482 379956820 /nfs/dbraw/zinc/95/68/20/379956820.db2.gz SYXVQCFCEZZKPE-CYBMUJFWSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCCNCC1 ZINC000419698482 379956826 /nfs/dbraw/zinc/95/68/26/379956826.db2.gz SYXVQCFCEZZKPE-CYBMUJFWSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000419894270 379990120 /nfs/dbraw/zinc/99/01/20/379990120.db2.gz QVKSUGYVDTYPSW-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420022391 380018800 /nfs/dbraw/zinc/01/88/00/380018800.db2.gz VUGOTGITTSEPLL-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000420111279 380028320 /nfs/dbraw/zinc/02/83/20/380028320.db2.gz GMKKBUIREYQPQG-QWHCGFSZSA-N 1 3 314.430 -0.863 20 0 DBADHO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCCNCCOC)C1 ZINC000420188962 380041687 /nfs/dbraw/zinc/04/16/87/380041687.db2.gz UILBSPIYAVTYKI-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000420205170 380043481 /nfs/dbraw/zinc/04/34/81/380043481.db2.gz RQPNEDAJTXPYOB-ZDUSSCGKSA-N 1 3 314.430 -0.863 20 0 DBADHO CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000420192858 380044543 /nfs/dbraw/zinc/04/45/43/380044543.db2.gz INPPOPULOGYSIJ-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CCOCCCN1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@@H](C)C1 ZINC000249472505 380114729 /nfs/dbraw/zinc/11/47/29/380114729.db2.gz UQGSYOKBOVYMRW-RYUDHWBXSA-N 1 3 300.403 -0.092 20 0 DBADHO NC1(C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CCOCC1 ZINC000261913529 380162164 /nfs/dbraw/zinc/16/21/64/380162164.db2.gz UAKXENQWPXQXIH-SNVBAGLBSA-N 1 3 324.347 -0.553 20 0 DBADHO C[C@H]1OCCN[C@@H]1C(=O)NCC1CCN(CC[NH+](C)C)CC1 ZINC000262071318 380169433 /nfs/dbraw/zinc/16/94/33/380169433.db2.gz BQOGHJAFRPSPKF-HIFRSBDPSA-N 1 3 312.458 -0.247 20 0 DBADHO C[C@@H]1CN(C[C@H](O)CNC[C@H](O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000580445208 380269706 /nfs/dbraw/zinc/26/97/06/380269706.db2.gz NVMDQSNCPNOTIU-LVQVYYBASA-N 1 3 315.458 -0.497 20 0 DBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H](O)CN2CCCC2)C[C@@H](C)O1 ZINC000580445208 380269714 /nfs/dbraw/zinc/26/97/14/380269714.db2.gz NVMDQSNCPNOTIU-LVQVYYBASA-N 1 3 315.458 -0.497 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@@H]1C[NH3+] ZINC000423216302 380316505 /nfs/dbraw/zinc/31/65/05/380316505.db2.gz RNSIAVFXAWJUDL-KGLIPLIRSA-N 1 3 310.442 -0.016 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000423061556 380309316 /nfs/dbraw/zinc/30/93/16/380309316.db2.gz KXFCIYUYOXSRDF-LSDHHAIUSA-N 1 3 318.421 -0.040 20 0 DBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423067372 380310557 /nfs/dbraw/zinc/31/05/57/380310557.db2.gz ZFOJPACXXGLDOB-OKILXGFUSA-N 1 3 310.442 -0.290 20 0 DBADHO C[C@H]1CCN(C(=O)C(=O)N(C)CCN2CCCC2)C[C@@H]1C[NH3+] ZINC000423216300 380314860 /nfs/dbraw/zinc/31/48/60/380314860.db2.gz RNSIAVFXAWJUDL-KBPBESRZSA-N 1 3 310.442 -0.016 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423515015 380340651 /nfs/dbraw/zinc/34/06/51/380340651.db2.gz SMSNDKSHDATFDP-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000423501239 380341608 /nfs/dbraw/zinc/34/16/08/380341608.db2.gz BEUVEMGDSDSJJL-GXTWGEPZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000423529083 380344035 /nfs/dbraw/zinc/34/40/35/380344035.db2.gz VGBHHUJPXXNXCY-INIZCTEOSA-N 1 3 308.426 -0.249 20 0 DBADHO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000423588438 380347689 /nfs/dbraw/zinc/34/76/89/380347689.db2.gz FABYIAJCMUWMER-BFHYXJOUSA-N 1 3 310.442 -0.019 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)CCO1 ZINC000643498778 380485947 /nfs/dbraw/zinc/48/59/47/380485947.db2.gz UKKNOYODLBDCPW-ZIAGYGMSSA-N 1 3 324.425 -0.741 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000626862371 380489939 /nfs/dbraw/zinc/48/99/39/380489939.db2.gz FKNZMBNWHNKONN-QWHCGFSZSA-N 1 3 322.413 -0.360 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000643500364 380491047 /nfs/dbraw/zinc/49/10/47/380491047.db2.gz KQJWODDHTFABQM-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CC[C@H](NC(=O)C(=O)Nc2cnn(CCN(C)C)c2)C[NH2+]1 ZINC000626889531 380501741 /nfs/dbraw/zinc/50/17/41/380501741.db2.gz FNTZBAVDKHSYKR-RYUDHWBXSA-N 1 3 322.413 -0.360 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)C1 ZINC000643505792 380502949 /nfs/dbraw/zinc/50/29/49/380502949.db2.gz PGMHRXGAWPPRDO-MGPQQGTHSA-N 1 3 308.426 -0.251 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC1CCN(CCN(C)C)CC1 ZINC000626931010 380511142 /nfs/dbraw/zinc/51/11/42/380511142.db2.gz OHPWVAUTAXYTOU-UHFFFAOYSA-N 1 3 315.462 -0.452 20 0 DBADHO COCCN(C)CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626938500 380512866 /nfs/dbraw/zinc/51/28/66/380512866.db2.gz FPCSNWQDSSPOSU-UHFFFAOYSA-N 1 3 302.419 -0.238 20 0 DBADHO CN1CCC[C@@H](NC(=O)NCc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000626945417 380513799 /nfs/dbraw/zinc/51/37/99/380513799.db2.gz IYAANFVTCNYFKB-DGCLKSJQSA-N 1 3 307.402 -0.294 20 0 DBADHO [NH3+]CCNC(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1 ZINC000612911571 380460084 /nfs/dbraw/zinc/46/00/84/380460084.db2.gz LYTGJPDMHCYVMS-LBPRGKRZSA-N 1 3 321.429 -0.333 20 0 DBADHO CN(C)Cc1cccc(NC(=O)C(=O)NC[C@@H](O)C[NH+](C)C)c1 ZINC000097362555 380480953 /nfs/dbraw/zinc/48/09/53/380480953.db2.gz WFUYSFQFJKNZOJ-CQSZACIVSA-N 1 3 322.409 -0.275 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643516811 380543843 /nfs/dbraw/zinc/54/38/43/380543843.db2.gz XNNGMHUZBJEDFP-KEYYUXOJSA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@H]1N(C)C ZINC000643520768 380547681 /nfs/dbraw/zinc/54/76/81/380547681.db2.gz MLZFVPDQTXMXOM-XJKCOSOUSA-N 1 3 308.426 -0.393 20 0 DBADHO C[NH+](C)CCOCCNC(=O)N[C@H]1CCCN(CCCO)C1 ZINC000458687503 380768439 /nfs/dbraw/zinc/76/84/39/380768439.db2.gz HEUFJJZEDQQJIQ-AWEZNQCLSA-N 1 3 316.446 -0.289 20 0 DBADHO NS(=O)(=O)CCCN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000641799771 380972040 /nfs/dbraw/zinc/97/20/40/380972040.db2.gz RARUQQWCZCVLIP-CHWSQXEVSA-N 1 3 305.444 -0.117 20 0 DBADHO CN(C)CCCS(=O)(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000631941063 381028695 /nfs/dbraw/zinc/02/86/95/381028695.db2.gz NDHCJFOVFGEGGF-ZDUSSCGKSA-N 1 3 319.471 -0.045 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626982700 381048107 /nfs/dbraw/zinc/04/81/07/381048107.db2.gz PDMDXTUGZDJKQP-GFCCVEGCSA-N 1 3 300.403 -0.486 20 0 DBADHO CCN(CC[NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000626964533 381040525 /nfs/dbraw/zinc/04/05/25/381040525.db2.gz TTYAYBXWGAMXEU-ZDUSSCGKSA-N 1 3 313.446 -0.081 20 0 DBADHO CN(C)C(=O)CCN1CCC(NC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000626973824 381043859 /nfs/dbraw/zinc/04/38/59/381043859.db2.gz IKUKZQFPXGMXCC-CYBMUJFWSA-N 1 3 311.430 -0.410 20 0 DBADHO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)C2 ZINC000627118055 381095479 /nfs/dbraw/zinc/09/54/79/381095479.db2.gz OQDMMTAXHRMPIX-GASCZTMLSA-N 1 3 320.397 -0.218 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC000627116148 381095956 /nfs/dbraw/zinc/09/59/56/381095956.db2.gz GGHYMFAPSWYHDK-CQSZACIVSA-N 1 3 314.430 -0.225 20 0 DBADHO C[C@H]1CC[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)C[NH2+]1 ZINC000627209746 381147348 /nfs/dbraw/zinc/14/73/48/381147348.db2.gz IMSNBMDFOWNHID-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H]1CC[C@H](NC(=O)N2C[C@@H](c3cnn(C)c3)[C@H](N)C2)C[NH2+]1 ZINC000627210067 381147433 /nfs/dbraw/zinc/14/74/33/381147433.db2.gz LJMNXNCFVROXOG-VZZFWQQMSA-N 1 3 306.414 -0.003 20 0 DBADHO C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCOCCC[NH3+] ZINC000627215906 381151095 /nfs/dbraw/zinc/15/10/95/381151095.db2.gz LIEAPMWBAQSJRM-AWEZNQCLSA-N 1 3 315.462 -0.323 20 0 DBADHO C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CN3CCN2CCC3)C1 ZINC000614066359 381227515 /nfs/dbraw/zinc/22/75/15/381227515.db2.gz CXMRNIAPMJQARZ-GOEBONIOSA-N 1 3 310.442 -0.709 20 0 DBADHO CN(C)CCn1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000614071002 381228154 /nfs/dbraw/zinc/22/81/54/381228154.db2.gz NOOBGJQBRSBJJJ-MRXNPFEDSA-N 1 3 323.441 -0.027 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000126274624 381329718 /nfs/dbraw/zinc/32/97/18/381329718.db2.gz PPTVKSIHCJLICH-ZFWWWQNUSA-N 1 3 316.446 -0.291 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000545175947 381432020 /nfs/dbraw/zinc/43/20/20/381432020.db2.gz MOKLFOVBCAEJAO-OCCSQVGLSA-N 1 3 300.403 -0.927 20 0 DBADHO COCCN1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000545175947 381432028 /nfs/dbraw/zinc/43/20/28/381432028.db2.gz MOKLFOVBCAEJAO-OCCSQVGLSA-N 1 3 300.403 -0.927 20 0 DBADHO CO[C@@]1(CNC(=O)N(CCN(C)C)CC[NH+](C)C)CCOC1 ZINC000547317890 381472880 /nfs/dbraw/zinc/47/28/80/381472880.db2.gz WDGNUIALUJIJDT-OAHLLOKOSA-N 1 3 316.446 -0.073 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccoc1 ZINC000549789746 381566884 /nfs/dbraw/zinc/56/68/84/381566884.db2.gz BMDJBDOWLBDIPF-UHFFFAOYSA-N 1 3 310.398 -0.152 20 0 DBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000619898469 381627951 /nfs/dbraw/zinc/62/79/51/381627951.db2.gz GNLQWJAXHLXLRN-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000619898469 381627961 /nfs/dbraw/zinc/62/79/61/381627961.db2.gz GNLQWJAXHLXLRN-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000619898470 381628066 /nfs/dbraw/zinc/62/80/66/381628066.db2.gz GNLQWJAXHLXLRN-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000619898470 381628073 /nfs/dbraw/zinc/62/80/73/381628073.db2.gz GNLQWJAXHLXLRN-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H]1CN1CCOCC1 ZINC000566017700 381635019 /nfs/dbraw/zinc/63/50/19/381635019.db2.gz IJIGBYMBLBYUJY-JKSUJKDBSA-N 1 3 315.458 -0.278 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1CN1CCOCC1 ZINC000566017700 381635027 /nfs/dbraw/zinc/63/50/27/381635027.db2.gz IJIGBYMBLBYUJY-JKSUJKDBSA-N 1 3 315.458 -0.278 20 0 DBADHO O=C(CN1CCN(CC[C@@H]2CCC[NH2+]C2)CC1)N1CCOCC1 ZINC000566302713 381649746 /nfs/dbraw/zinc/64/97/46/381649746.db2.gz NDCAJVBTVDJAQD-INIZCTEOSA-N 1 3 324.469 -0.148 20 0 DBADHO CC1CC[NH+](C[C@H](O)CNC(=O)CNC[C@H]2CCCO2)CC1 ZINC000566180060 381639568 /nfs/dbraw/zinc/63/95/68/381639568.db2.gz XLBHMTARKQJTOJ-HUUCEWRRSA-N 1 3 313.442 -0.036 20 0 DBADHO C[N@H+](CCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000566507727 381660971 /nfs/dbraw/zinc/66/09/71/381660971.db2.gz AOAFTVUXAQPIND-UONOGXRCSA-N 1 3 323.441 -0.186 20 0 DBADHO C[N@@H+](CCCCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C1CC1 ZINC000566507727 381660977 /nfs/dbraw/zinc/66/09/77/381660977.db2.gz AOAFTVUXAQPIND-UONOGXRCSA-N 1 3 323.441 -0.186 20 0 DBADHO C[N@H+](CCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000566507725 381661998 /nfs/dbraw/zinc/66/19/98/381661998.db2.gz AOAFTVUXAQPIND-KBPBESRZSA-N 1 3 323.441 -0.186 20 0 DBADHO C[N@@H+](CCCCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC1 ZINC000566507725 381662003 /nfs/dbraw/zinc/66/20/03/381662003.db2.gz AOAFTVUXAQPIND-KBPBESRZSA-N 1 3 323.441 -0.186 20 0 DBADHO NC(=O)NC(=O)CC[NH2+]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000567687997 381709940 /nfs/dbraw/zinc/70/99/40/381709940.db2.gz GWNDCLDUDURPGK-QWHCGFSZSA-N 1 3 312.414 -0.071 20 0 DBADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566984878 381676999 /nfs/dbraw/zinc/67/69/99/381676999.db2.gz WCPZRRLQHOZRLX-YNEHKIRRSA-N 1 3 311.430 -0.332 20 0 DBADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566984878 381677006 /nfs/dbraw/zinc/67/70/06/381677006.db2.gz WCPZRRLQHOZRLX-YNEHKIRRSA-N 1 3 311.430 -0.332 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)O ZINC000567448789 381697369 /nfs/dbraw/zinc/69/73/69/381697369.db2.gz TYRPMKQJOFUPDY-UHFFFAOYSA-N 1 3 316.446 -0.833 20 0 DBADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000568294012 381753479 /nfs/dbraw/zinc/75/34/79/381753479.db2.gz IQFKBERYJICNER-MGPQQGTHSA-N 1 3 323.441 -0.186 20 0 DBADHO C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000568294011 381754688 /nfs/dbraw/zinc/75/46/88/381754688.db2.gz IQFKBERYJICNER-MCIONIFRSA-N 1 3 323.441 -0.186 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CC4)CC3)CCN2C1=O ZINC000568297758 381754959 /nfs/dbraw/zinc/75/49/59/381754959.db2.gz VLFUSRLTJKYSHS-ZIAGYGMSSA-N 1 3 321.425 -0.433 20 0 DBADHO O=C(NC1CNC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000568374115 381756805 /nfs/dbraw/zinc/75/68/05/381756805.db2.gz QEFBWUZXYLIEMX-RISCZKNCSA-N 1 3 306.410 -0.450 20 0 DBADHO O=C(NC1CNC1)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000568374115 381756813 /nfs/dbraw/zinc/75/68/13/381756813.db2.gz QEFBWUZXYLIEMX-RISCZKNCSA-N 1 3 306.410 -0.450 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)NCCC[NH+]3CCCCC3)CCN2C1=O ZINC000572663504 381796818 /nfs/dbraw/zinc/79/68/18/381796818.db2.gz QWNPKMDIRYYRCP-KGLIPLIRSA-N 1 3 323.441 -0.184 20 0 DBADHO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000574292110 381860312 /nfs/dbraw/zinc/86/03/12/381860312.db2.gz MCOCWBYKSIRICD-DGAVXFQQSA-N 1 3 323.441 -0.187 20 0 DBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)C1 ZINC000575794090 381898074 /nfs/dbraw/zinc/89/80/74/381898074.db2.gz IJPTZOSIMXQCHC-MCIONIFRSA-N 1 3 308.426 -0.108 20 0 DBADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CC(=O)N(C)C1=O ZINC000575850681 381901030 /nfs/dbraw/zinc/90/10/30/381901030.db2.gz NUKBEFNFFAYFEC-QWHCGFSZSA-N 1 3 324.425 -0.347 20 0 DBADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@@H]1CC(=O)N(C)C1=O ZINC000575850681 381901041 /nfs/dbraw/zinc/90/10/41/381901041.db2.gz NUKBEFNFFAYFEC-QWHCGFSZSA-N 1 3 324.425 -0.347 20 0 DBADHO C[NH+](C)C1CCN(CCNC[C@@H](O)CN2CCOCC2)CC1 ZINC000577275410 381957444 /nfs/dbraw/zinc/95/74/44/381957444.db2.gz XTCGINGVBZTNKV-MRXNPFEDSA-N 1 3 314.474 -0.705 20 0 DBADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCC1 ZINC000580557900 381943819 /nfs/dbraw/zinc/94/38/19/381943819.db2.gz MFBYJIXYHZUTNF-STQMWFEESA-N 1 3 308.426 -0.025 20 0 DBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)CCOC1CNC1 ZINC000578618540 382023089 /nfs/dbraw/zinc/02/30/89/382023089.db2.gz FGXIHDLSYPOQAS-LBPRGKRZSA-N 1 3 312.414 -0.789 20 0 DBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581245215 382136518 /nfs/dbraw/zinc/13/65/18/382136518.db2.gz HGBWPKLAYLGXDV-MCIONIFRSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H](C2CC2)[NH+](C)C)CC1=O ZINC000072996134 382322292 /nfs/dbraw/zinc/32/22/92/382322292.db2.gz HWAYBCLBJDHSLB-UONOGXRCSA-N 1 3 310.442 -0.147 20 0 DBADHO CS(=O)(=O)C1(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)CCNCC1 ZINC000621699279 382500644 /nfs/dbraw/zinc/50/06/44/382500644.db2.gz QKBYTSOKQJFLCK-YPMHNXCESA-N 1 3 315.439 -0.507 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)CCC1 ZINC000621839999 382515009 /nfs/dbraw/zinc/51/50/09/382515009.db2.gz BLQLJDSSHNNPBK-BLLLJJGKSA-N 1 3 308.426 -0.073 20 0 DBADHO Nc1nc(N)nc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)n1 ZINC000624052759 382597501 /nfs/dbraw/zinc/59/75/01/382597501.db2.gz OWIUDRIOKZYKKJ-LLVKDONJSA-N 1 3 307.402 -0.222 20 0 DBADHO Nc1nc(N)nc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000624093166 382600343 /nfs/dbraw/zinc/60/03/43/382600343.db2.gz PUHWPTVMDPJHFX-LBPRGKRZSA-N 1 3 315.381 -0.703 20 0 DBADHO Nc1nc(N)nc(NCc2ccccc2C[N@H+]2CC[C@H](O)C2)n1 ZINC000624093166 382600346 /nfs/dbraw/zinc/60/03/46/382600346.db2.gz PUHWPTVMDPJHFX-LBPRGKRZSA-N 1 3 315.381 -0.703 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)NCCOCCC[NH3+] ZINC000627488697 382633705 /nfs/dbraw/zinc/63/37/05/382633705.db2.gz GNVGEHFJQLMEJY-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000627357534 382618088 /nfs/dbraw/zinc/61/80/88/382618088.db2.gz IQSCFJOUMHGHHE-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N(C)CCOCC[NH3+])C1 ZINC000627357573 382618261 /nfs/dbraw/zinc/61/82/61/382618261.db2.gz JOYWYTKBSDJRSK-ZDUSSCGKSA-N 1 3 314.430 -0.732 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C[NH2+]1 ZINC000627380443 382620205 /nfs/dbraw/zinc/62/02/05/382620205.db2.gz PYTFQBFJTWHXKC-BNOWGMLFSA-N 1 3 308.426 -0.156 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000627459050 382628891 /nfs/dbraw/zinc/62/88/91/382628891.db2.gz YNBPYZUBVXIUBU-ZOBORPQBSA-N 1 3 308.426 -0.062 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)[C@@H]1CCN(C(C)C)C1 ZINC000627465114 382629965 /nfs/dbraw/zinc/62/99/65/382629965.db2.gz XSQLGEPBTNSQED-CYBMUJFWSA-N 1 3 314.430 -0.720 20 0 DBADHO CN(C)CCN(CCN(C)C)S(=O)(=O)CCC[NH+](C)C ZINC000631897835 382644511 /nfs/dbraw/zinc/64/45/11/382644511.db2.gz QYMBSOVNDQWGEO-UHFFFAOYSA-N 1 3 308.492 -0.307 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000633029672 382680141 /nfs/dbraw/zinc/68/01/41/382680141.db2.gz BDXOWGMAMLXOCQ-TXEJJXNPSA-N 1 3 320.397 -0.654 20 0 DBADHO CC(C)N1CCCN(C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000633085767 382681543 /nfs/dbraw/zinc/68/15/43/382681543.db2.gz GLRKBAULRBAZGM-OKILXGFUSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633095722 382682001 /nfs/dbraw/zinc/68/20/01/382682001.db2.gz YQIMLEXSNYMZBT-MQYQWHSLSA-N 1 3 308.426 -0.252 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCCCC[C@@H]([NH3+])C3)C[C@@H]21 ZINC000633109785 382683291 /nfs/dbraw/zinc/68/32/91/382683291.db2.gz JDVKSOMPIPNVHV-MCIONIFRSA-N 1 3 308.426 -0.121 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(N)=O ZINC000170628293 285279708 /nfs/dbraw/zinc/27/97/08/285279708.db2.gz SBNHKALMUOSWQF-OLZOCXBDSA-N 1 3 313.446 -0.082 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)[C@@H](C)NC(N)=O ZINC000170628293 285279710 /nfs/dbraw/zinc/27/97/10/285279710.db2.gz SBNHKALMUOSWQF-OLZOCXBDSA-N 1 3 313.446 -0.082 20 0 DBADHO CC[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000649472640 392077552 /nfs/dbraw/zinc/07/75/52/392077552.db2.gz CLOKNOAQKJSQSI-RWMBFGLXSA-N 1 3 316.446 -0.740 20 0 DBADHO CC[C@H](C(=O)N[C@H](CO)CNC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000649472640 392077560 /nfs/dbraw/zinc/07/75/60/392077560.db2.gz CLOKNOAQKJSQSI-RWMBFGLXSA-N 1 3 316.446 -0.740 20 0 DBADHO CC(C)C[C@@H](CN)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000649266980 392025059 /nfs/dbraw/zinc/02/50/59/392025059.db2.gz HNEZGYCIPYIKJP-NSHDSACASA-N 1 3 305.444 -0.357 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649318559 392033607 /nfs/dbraw/zinc/03/36/07/392033607.db2.gz VZPOELKIZDRGGV-MQYQWHSLSA-N 1 3 308.426 -0.204 20 0 DBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)[C@]1(N)[C@@H]2CCCO[C@H]2C1(C)C ZINC000647080747 392413561 /nfs/dbraw/zinc/41/35/61/392413561.db2.gz INYAJJGGMAISHB-BRXULGCHSA-N 1 3 310.442 -0.461 20 0 DBADHO O=C(C[C@@H]1COCCN1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000647085682 392414969 /nfs/dbraw/zinc/41/49/69/392414969.db2.gz BPTOYGAJUBRMJC-SHARSMKWSA-N 1 3 310.442 -0.303 20 0 DBADHO O=C(C[C@@H]1COCCN1)NC1CCC([NH+]2CCNCC2)CC1 ZINC000647085682 392414980 /nfs/dbraw/zinc/41/49/80/392414980.db2.gz BPTOYGAJUBRMJC-SHARSMKWSA-N 1 3 310.442 -0.303 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000556721061 392423869 /nfs/dbraw/zinc/42/38/69/392423869.db2.gz ZOLWLMOVNLMWJK-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000556721061 392423871 /nfs/dbraw/zinc/42/38/71/392423871.db2.gz ZOLWLMOVNLMWJK-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419898269 392479782 /nfs/dbraw/zinc/47/97/82/392479782.db2.gz PHRCLNYPMXZGST-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCc1ccncc1 ZINC000559280257 392482545 /nfs/dbraw/zinc/48/25/45/392482545.db2.gz VOMDSHMUMHZTRP-UHFFFAOYSA-N 1 3 321.425 -0.350 20 0 DBADHO C[C@H](O)C[NH+]1CCC(CN(C)[C@@H](C)C(=O)NC(N)=O)CC1 ZINC000105862014 392503006 /nfs/dbraw/zinc/50/30/06/392503006.db2.gz ASUJETIRMXDRPM-QWRGUYRKSA-N 1 3 300.403 -0.406 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449702204 392551456 /nfs/dbraw/zinc/55/14/56/392551456.db2.gz CYYMJDGJMWBUAN-OLZOCXBDSA-N 1 3 310.442 -0.099 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)[C@H]3CNCCC3(F)F)C[C@H]2[NH3+])cn1 ZINC000648180902 392571745 /nfs/dbraw/zinc/57/17/45/392571745.db2.gz SYDALQNFHBBLIW-QJPTWQEYSA-N 1 3 313.352 -0.082 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)N[C@H]3CCCN(C)C3)C[C@H]2[NH3+])cn1 ZINC000644196981 392692740 /nfs/dbraw/zinc/69/27/40/392692740.db2.gz JMTGWLFGRUSERZ-MELADBBJSA-N 1 3 306.414 -0.050 20 0 DBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580182215 392660780 /nfs/dbraw/zinc/66/07/80/392660780.db2.gz WULIMXXLQPPJAU-MCIONIFRSA-N 1 3 308.426 -0.536 20 0 DBADHO CC(C)(O)C[NH+]1CCC(NCCNC(=O)c2ccn[nH]2)CC1 ZINC000647909784 392925179 /nfs/dbraw/zinc/92/51/79/392925179.db2.gz KVEQCSMUAFCPEX-UHFFFAOYSA-N 1 3 309.414 -0.036 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@H+](C)C1CC1 ZINC000645263643 392928581 /nfs/dbraw/zinc/92/85/81/392928581.db2.gz SCZTZJYMMAXAQQ-GFCCVEGCSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCC[N@@H+](C)C1CC1 ZINC000645263643 392928588 /nfs/dbraw/zinc/92/85/88/392928588.db2.gz SCZTZJYMMAXAQQ-GFCCVEGCSA-N 1 3 311.430 -0.158 20 0 DBADHO [NH3+]C[C@H]1CN(C(=O)CN2CCNCC2)CC[C@H]1C(F)(F)F ZINC000638563308 392967803 /nfs/dbraw/zinc/96/78/03/392967803.db2.gz OBCAISREAXWYNJ-WDEREUQCSA-N 1 3 308.348 -0.123 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)CN2CCNCC2)CC[C@@H]1C(F)(F)F ZINC000638563306 392968296 /nfs/dbraw/zinc/96/82/96/392968296.db2.gz OBCAISREAXWYNJ-MNOVXSKESA-N 1 3 308.348 -0.123 20 0 DBADHO CN1CCC[C@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417274774 393026761 /nfs/dbraw/zinc/02/67/61/393026761.db2.gz ASNBIEPNTBHXRT-STQMWFEESA-N 1 3 311.430 -0.423 20 0 DBADHO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000330864033 393037480 /nfs/dbraw/zinc/03/74/80/393037480.db2.gz YDPGSUNJKQONRI-IJEWVQPXSA-N 1 3 313.442 -0.132 20 0 DBADHO COC(=O)[C@](C)(O)C[N@H+]1CC[C@H](N2CCN(C)CC2)[C@H](C)C1 ZINC000330864033 393037485 /nfs/dbraw/zinc/03/74/85/393037485.db2.gz YDPGSUNJKQONRI-IJEWVQPXSA-N 1 3 313.442 -0.132 20 0 DBADHO C[C@@H](NC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)[C@H](C)[NH3+] ZINC000417419542 393043884 /nfs/dbraw/zinc/04/38/84/393043884.db2.gz DEJACLXPURKYNI-YNEHKIRRSA-N 1 3 313.446 -0.036 20 0 DBADHO CC[NH2+]CCNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417429642 393045647 /nfs/dbraw/zinc/04/56/47/393045647.db2.gz NMUZTUISOYTWAB-ZDUSSCGKSA-N 1 3 313.446 -0.162 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1=O ZINC000343618154 393075084 /nfs/dbraw/zinc/07/50/84/393075084.db2.gz HSQCKPWTMFFRIW-WMLDXEAASA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000332616413 393329546 /nfs/dbraw/zinc/32/95/46/393329546.db2.gz SKTXJMGYDDCTSW-FQUUOJAGSA-N 1 3 308.426 -0.062 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351515622 393278817 /nfs/dbraw/zinc/27/88/17/393278817.db2.gz CJIXGJLMNRAJQJ-QWHCGFSZSA-N 1 3 312.414 -0.918 20 0 DBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2CNCCO2)CC1 ZINC000418770020 393503489 /nfs/dbraw/zinc/50/34/89/393503489.db2.gz QHYWEXFOSVLRFZ-UONOGXRCSA-N 1 3 314.430 -0.633 20 0 DBADHO C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](Cc1ccccc1)N(C)C ZINC000418828139 393506739 /nfs/dbraw/zinc/50/67/39/393506739.db2.gz CTDBAXRXJQWHKA-JSGCOSHPSA-N 1 3 306.410 -0.261 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000418853593 393517374 /nfs/dbraw/zinc/51/73/74/393517374.db2.gz SLUUGUNKBDGUPJ-UKRRQHHQSA-N 1 3 320.437 -0.014 20 0 DBADHO C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](Cc1ccccc1)CN(C)C ZINC000418875868 393525594 /nfs/dbraw/zinc/52/55/94/393525594.db2.gz LDEHGAMMIQDZEW-TZMCWYRMSA-N 1 3 306.410 -0.261 20 0 DBADHO CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418881876 393525649 /nfs/dbraw/zinc/52/56/49/393525649.db2.gz YCLAHYWKZHJJIB-CABCVRRESA-N 1 3 318.421 -0.246 20 0 DBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@H]1NC(C)(C)O[C@@H]1C ZINC000419159090 393546123 /nfs/dbraw/zinc/54/61/23/393546123.db2.gz YSLWXFVKPUHWOC-IJLUTSLNSA-N 1 3 314.430 -0.328 20 0 DBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCC1C[NH2+]C1 ZINC000419031065 393535018 /nfs/dbraw/zinc/53/50/18/393535018.db2.gz UTOSCAFTDHXUBV-UPJWGTAASA-N 1 3 310.442 -0.195 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000419409231 393573486 /nfs/dbraw/zinc/57/34/86/393573486.db2.gz MPHAIZYXHDOGEG-MCIONIFRSA-N 1 3 310.442 -0.051 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000419418243 393575103 /nfs/dbraw/zinc/57/51/03/393575103.db2.gz YAUVFFZGSYYXHZ-UONOGXRCSA-N 1 3 310.442 -0.051 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000419403066 393571921 /nfs/dbraw/zinc/57/19/21/393571921.db2.gz DGIOOPIRGGLZFC-UHFFFAOYSA-N 1 3 308.426 -0.130 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000419405863 393572526 /nfs/dbraw/zinc/57/25/26/393572526.db2.gz HYMFUYYWDLLTIH-OLZOCXBDSA-N 1 3 312.414 -0.979 20 0 DBADHO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000423588442 393601026 /nfs/dbraw/zinc/60/10/26/393601026.db2.gz FABYIAJCMUWMER-MELADBBJSA-N 1 3 310.442 -0.019 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000419447464 393579730 /nfs/dbraw/zinc/57/97/30/393579730.db2.gz HGVCHGSKGAJYQL-QWHCGFSZSA-N 1 3 314.430 -0.733 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000419453836 393579839 /nfs/dbraw/zinc/57/98/39/393579839.db2.gz SJXYLZQWRDSQEH-OLZOCXBDSA-N 1 3 314.430 -0.733 20 0 DBADHO CC[C@H](C)N(C)CCNC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000419526544 393587255 /nfs/dbraw/zinc/58/72/55/393587255.db2.gz UBOUVKSVOUBFFH-IHRRRGAJSA-N 1 3 310.442 -0.099 20 0 DBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000423766232 393619970 /nfs/dbraw/zinc/61/99/70/393619970.db2.gz XZVLBVSBVJVVJE-JKSUJKDBSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H]2CNCCO2)CC1 ZINC000423766232 393619974 /nfs/dbraw/zinc/61/99/74/393619974.db2.gz XZVLBVSBVJVVJE-JKSUJKDBSA-N 1 3 324.469 -0.007 20 0 DBADHO N[C@H]1Cc2ccccc2N(C(=O)CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000424071839 393626830 /nfs/dbraw/zinc/62/68/30/393626830.db2.gz FJEKWZRONQZNCD-STQMWFEESA-N 1 3 302.378 -0.229 20 0 DBADHO Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000424465097 393641146 /nfs/dbraw/zinc/64/11/46/393641146.db2.gz JMJJRSQJFFUVNU-INIZCTEOSA-N 1 3 320.393 -0.425 20 0 DBADHO [NH3+]CCNC(=O)C(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000424523547 393645923 /nfs/dbraw/zinc/64/59/23/393645923.db2.gz OQZVMGUAVYEBPL-LSDHHAIUSA-N 1 3 316.405 -0.206 20 0 DBADHO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)C1 ZINC000646003253 393739656 /nfs/dbraw/zinc/73/96/56/393739656.db2.gz YCXJWXYGZJYCFX-HZPDHXFCSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCC[C@@H](N2CCN(C(=O)CNC[C@H]3CCCO3)CC2)C1 ZINC000646003253 393739660 /nfs/dbraw/zinc/73/96/60/393739660.db2.gz YCXJWXYGZJYCFX-HZPDHXFCSA-N 1 3 324.469 -0.007 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1=O ZINC000655246588 411638196 /nfs/dbraw/zinc/63/81/96/411638196.db2.gz LQJBTYQFCPZILT-MELADBBJSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)CN1CCN(C)CC1 ZINC000653124581 411645961 /nfs/dbraw/zinc/64/59/61/411645961.db2.gz ASGCIZICDYXBKL-YCPHGPKFSA-N 1 3 310.442 -0.778 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642801248 411663180 /nfs/dbraw/zinc/66/31/80/411663180.db2.gz NHHFHAWDFLJZDE-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655417420 411678549 /nfs/dbraw/zinc/67/85/49/411678549.db2.gz KMEHIABQHOWESO-QMTHXVAHSA-N 1 3 305.386 -0.458 20 0 DBADHO CCO[C@@H]1CN(C(=O)NCCCN(C)CCOC)C[C@H]1C[NH3+] ZINC000652131166 411761145 /nfs/dbraw/zinc/76/11/45/411761145.db2.gz OHFYMGFOEBXHIZ-ZIAGYGMSSA-N 1 3 316.446 -0.040 20 0 DBADHO CCO[C@@H]1CN(C(=O)NCCN(C)CCOC)C[C@H]1C[NH3+] ZINC000652145775 411767242 /nfs/dbraw/zinc/76/72/42/411767242.db2.gz ZCVAANWZPYGQIF-CHWSQXEVSA-N 1 3 302.419 -0.430 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cn1 ZINC000652620197 411808029 /nfs/dbraw/zinc/80/80/29/411808029.db2.gz CHIVLCQSXJXUOT-NSHDSACASA-N 1 3 308.386 -0.667 20 0 DBADHO CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000652705057 411819567 /nfs/dbraw/zinc/81/95/67/411819567.db2.gz ZDUFVTBBNJSDMZ-ZDUSSCGKSA-N 1 3 314.430 -0.815 20 0 DBADHO CC(C)C[N@@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000652705057 411819568 /nfs/dbraw/zinc/81/95/68/411819568.db2.gz ZDUFVTBBNJSDMZ-ZDUSSCGKSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000652732166 411826734 /nfs/dbraw/zinc/82/67/34/411826734.db2.gz FAWZWBGCBLEQCE-ZDUSSCGKSA-N 1 3 312.414 -0.883 20 0 DBADHO C[C@H]1C[C@@H](NC(=O)N(CCN(C)C)CC(=O)N(C)C)CC[NH2+]1 ZINC000659538691 411833919 /nfs/dbraw/zinc/83/39/19/411833919.db2.gz BACGASPKLRIKTC-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC[C@@H](Cc1ccccc1)N(C)C ZINC000659674944 411860161 /nfs/dbraw/zinc/86/01/61/411860161.db2.gz PQIWDVBHNJROFQ-UKRRQHHQSA-N 1 3 320.437 0.000 20 0 DBADHO CC[N@H+](C)C[C@H](O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000653588500 411879776 /nfs/dbraw/zinc/87/97/76/411879776.db2.gz YUHBMIMQIFHKKE-LSDHHAIUSA-N 1 3 312.458 -0.287 20 0 DBADHO CC[N@@H+](C)C[C@H](O)CN1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000653588500 411879779 /nfs/dbraw/zinc/87/97/79/411879779.db2.gz YUHBMIMQIFHKKE-LSDHHAIUSA-N 1 3 312.458 -0.287 20 0 DBADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968981 411981717 /nfs/dbraw/zinc/98/17/17/411981717.db2.gz CWXRMDQQTZPWJP-SBJFKYEJSA-N 1 3 308.426 -0.165 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656020896 411988016 /nfs/dbraw/zinc/98/80/16/411988016.db2.gz VUANTZLATVCHNE-MCIONIFRSA-N 1 3 308.426 -0.027 20 0 DBADHO O=C(NC1CC[NH2+]CC1)C(=O)N[C@@H]1CCCN2CCCC[C@@H]12 ZINC000656019257 411988946 /nfs/dbraw/zinc/98/89/46/411988946.db2.gz DGVRAYWGNNLJLE-KGLIPLIRSA-N 1 3 308.426 -0.012 20 0 DBADHO CS(=O)(=O)N1CCN(CCN[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000656196023 411999518 /nfs/dbraw/zinc/99/95/18/411999518.db2.gz UAIDBRCZHVSIMR-QWHCGFSZSA-N 1 3 304.460 -0.577 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCNC1=O ZINC000656390029 412005160 /nfs/dbraw/zinc/00/51/60/412005160.db2.gz ZBRIOGDOHWIXCX-ZDUSSCGKSA-N 1 3 313.446 -0.353 20 0 DBADHO CN(C)CCNC(=O)C1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000656696737 412010491 /nfs/dbraw/zinc/01/04/91/412010491.db2.gz LCNDTQDOKJMWBY-MRXNPFEDSA-N 1 3 313.442 -0.082 20 0 DBADHO CC[NH+]1CCC(N2CCC(C(=O)NC(CO)CO)CC2)CC1 ZINC000654976195 411959058 /nfs/dbraw/zinc/95/90/58/411959058.db2.gz GDOLMWHSRFYNNN-UHFFFAOYSA-N 1 3 313.442 -0.348 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000658643197 412063362 /nfs/dbraw/zinc/06/33/62/412063362.db2.gz HCYJUEYJPWEJLD-CABCVRRESA-N 1 3 322.453 -0.051 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000658643197 412063365 /nfs/dbraw/zinc/06/33/65/412063365.db2.gz HCYJUEYJPWEJLD-CABCVRRESA-N 1 3 322.453 -0.051 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000658612919 412064001 /nfs/dbraw/zinc/06/40/01/412064001.db2.gz JRDCCWBUSHUGDA-KGLIPLIRSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000658612919 412064002 /nfs/dbraw/zinc/06/40/02/412064002.db2.gz JRDCCWBUSHUGDA-KGLIPLIRSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000659359946 412085555 /nfs/dbraw/zinc/08/55/55/412085555.db2.gz XPKFELRKMFXJPD-LBPRGKRZSA-N 1 3 316.471 -0.440 20 0 DBADHO C[NH+](C)C1(CNC(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)CCC1 ZINC000659485830 412090196 /nfs/dbraw/zinc/09/01/96/412090196.db2.gz LGCJKGZERPJZCW-UHFFFAOYSA-N 1 3 308.386 -0.076 20 0 DBADHO COCC[NH2+]CCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000659527469 412092232 /nfs/dbraw/zinc/09/22/32/412092232.db2.gz LVPUOZRBDURVDZ-AWEZNQCLSA-N 1 3 314.430 -0.225 20 0 DBADHO COCCNCCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659528314 412092638 /nfs/dbraw/zinc/09/26/38/412092638.db2.gz QPRNYCURNYZEIN-CQSZACIVSA-N 1 3 316.446 -0.025 20 0 DBADHO C[C@H]([NH3+])C[C@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659556178 412093498 /nfs/dbraw/zinc/09/34/98/412093498.db2.gz QVTJGLXUJGMZGA-RYUDHWBXSA-N 1 3 301.435 -0.226 20 0 DBADHO C[C@H]1CCN(C(=O)NCc2nc(C[NH3+])cc(=O)[n-]2)C[C@H]1C[NH3+] ZINC000659629453 412096461 /nfs/dbraw/zinc/09/64/61/412096461.db2.gz SXSPDOMCECURCK-VHSXEESVSA-N 1 3 308.386 -0.233 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000659676188 412101369 /nfs/dbraw/zinc/10/13/69/412101369.db2.gz FUMGJMXAOOPLOU-QWHCGFSZSA-N 1 3 314.430 -0.672 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659698449 412107268 /nfs/dbraw/zinc/10/72/68/412107268.db2.gz NLORJGWZRSJHND-CHWSQXEVSA-N 1 3 314.405 -0.268 20 0 DBADHO CC1CC[NH+](CCNC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)CC1 ZINC000659698449 412107271 /nfs/dbraw/zinc/10/72/71/412107271.db2.gz NLORJGWZRSJHND-CHWSQXEVSA-N 1 3 314.405 -0.268 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659696527 412108343 /nfs/dbraw/zinc/10/83/43/412108343.db2.gz BWLMFCFNQOQHBJ-UHFFFAOYSA-N 1 3 308.426 -0.297 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CCCC1 ZINC000659704928 412109080 /nfs/dbraw/zinc/10/90/80/412109080.db2.gz QCYZKHLQJQQLJK-CYBMUJFWSA-N 1 3 308.426 -0.025 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659717017 412113181 /nfs/dbraw/zinc/11/31/81/412113181.db2.gz DILVTELGXSZAOK-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000659738687 412118266 /nfs/dbraw/zinc/11/82/66/412118266.db2.gz ILRBHAMCPKXFQX-AGIUHOORSA-N 1 3 312.414 -0.839 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC3(CC[NH2+]3)CC2)C1 ZINC000659738626 412118328 /nfs/dbraw/zinc/11/83/28/412118328.db2.gz HGLWIDQYMURYOC-CYBMUJFWSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(NCC12CC(C1)C[NH2+]2)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000659740408 412120005 /nfs/dbraw/zinc/12/00/05/412120005.db2.gz ANNNTMDRDCRTGT-UYJPIKCFSA-N 1 3 306.410 -0.449 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000659751028 412122583 /nfs/dbraw/zinc/12/25/83/412122583.db2.gz RQVOSHDJHHYTEA-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662250714 412175285 /nfs/dbraw/zinc/17/52/85/412175285.db2.gz MLCHEHBITPVDLG-STQMWFEESA-N 1 3 317.455 -0.231 20 0 DBADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](N)COC(C)C)CC1 ZINC000662383552 412181018 /nfs/dbraw/zinc/18/10/18/412181018.db2.gz BZHCZYZUTAGPAH-AWEZNQCLSA-N 1 3 300.447 -0.118 20 0 DBADHO CN1CCC[C@H](N2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)C1 ZINC000662760568 412199560 /nfs/dbraw/zinc/19/95/60/412199560.db2.gz WYBOKLFURASAQR-ZNMIVQPWSA-N 1 3 310.442 -0.411 20 0 DBADHO CN(C(=O)C[C@H]1COCCN1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899478 412210216 /nfs/dbraw/zinc/21/02/16/412210216.db2.gz DILBBTGSFGELHP-HOCLYGCPSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C(=O)C[C@H]1COCCN1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000662899478 412210220 /nfs/dbraw/zinc/21/02/20/412210220.db2.gz DILBBTGSFGELHP-HOCLYGCPSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C)C(=O)C1(NC/C=C/C[NH2+]C2(C(=O)N(C)C)CC2)CC1 ZINC000660800087 412148263 /nfs/dbraw/zinc/14/82/63/412148263.db2.gz ISXCRDSOEJZLSD-AATRIKPKSA-N 1 3 308.426 -0.037 20 0 DBADHO O=C(NC[C@@H]1CCCN(C[C@@H]2CNCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000662264256 412174604 /nfs/dbraw/zinc/17/46/04/412174604.db2.gz HDKYOWUMEPJTLR-KKUMJFAQSA-N 1 3 310.442 -0.445 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC[C@H](C)[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664785979 412261761 /nfs/dbraw/zinc/26/17/61/412261761.db2.gz UUWLNRCFHPNJKW-BFHYXJOUSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC[C@H](C)[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664785979 412261763 /nfs/dbraw/zinc/26/17/63/412261763.db2.gz UUWLNRCFHPNJKW-BFHYXJOUSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CCN([C@@H](C)CC[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664785979 412261764 /nfs/dbraw/zinc/26/17/64/412261764.db2.gz UUWLNRCFHPNJKW-BFHYXJOUSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CCN([C@@H](C)CC[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664785979 412261766 /nfs/dbraw/zinc/26/17/66/412261766.db2.gz UUWLNRCFHPNJKW-BFHYXJOUSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC[C@@H](C)[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000664785981 412261814 /nfs/dbraw/zinc/26/18/14/412261814.db2.gz UUWLNRCFHPNJKW-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC[C@@H](C)[N@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000664785981 412261816 /nfs/dbraw/zinc/26/18/16/412261816.db2.gz UUWLNRCFHPNJKW-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CC[N@@H+](CC[C@@H](C)N2CC[C@H](C(=O)NC)C2)C1 ZINC000664785981 412261818 /nfs/dbraw/zinc/26/18/18/412261818.db2.gz UUWLNRCFHPNJKW-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CC[N@H+](CC[C@@H](C)N2CC[C@H](C(=O)NC)C2)C1 ZINC000664785981 412261820 /nfs/dbraw/zinc/26/18/20/412261820.db2.gz UUWLNRCFHPNJKW-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1nnn(C)n1 ZINC000664774832 412261857 /nfs/dbraw/zinc/26/18/57/412261857.db2.gz KJNCGADNNYCYHK-NSHDSACASA-N 1 3 312.422 -0.719 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1nnn(C)n1 ZINC000664774832 412261858 /nfs/dbraw/zinc/26/18/58/412261858.db2.gz KJNCGADNNYCYHK-NSHDSACASA-N 1 3 312.422 -0.719 20 0 DBADHO CN(CC[NH+]1CCCCC1)C(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000662963503 412218846 /nfs/dbraw/zinc/21/88/46/412218846.db2.gz QENGZDRMWMFYHL-CHWSQXEVSA-N 1 3 314.405 -0.172 20 0 DBADHO CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1(N)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663491554 412234502 /nfs/dbraw/zinc/23/45/02/412234502.db2.gz JBBRQEMJXHEKJF-HWWQOWPSSA-N 1 3 309.410 -0.280 20 0 DBADHO C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccn(CCN(C)C)n2)C[NH2+]1 ZINC000626890638 412311912 /nfs/dbraw/zinc/31/19/12/412311912.db2.gz QUPHPIKLAWBHPV-NWDGAFQWSA-N 1 3 322.413 -0.360 20 0 DBADHO CN1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000446767818 412290126 /nfs/dbraw/zinc/29/01/26/412290126.db2.gz FOEULPPLCZLOGU-LBPRGKRZSA-N 1 3 322.413 -0.406 20 0 DBADHO CN1CC[C@](O)(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000358458032 412293880 /nfs/dbraw/zinc/29/38/80/412293880.db2.gz BZWPUAYUWFNGRE-AWEZNQCLSA-N 1 3 310.402 -0.367 20 0 DBADHO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000626864464 412446245 /nfs/dbraw/zinc/44/62/45/412446245.db2.gz DEYWKEXWLBGCST-NWDGAFQWSA-N 1 3 322.413 -0.360 20 0 DBADHO C[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)[C@H]1C[NH3+] ZINC000429183124 287336887 /nfs/dbraw/zinc/33/68/87/287336887.db2.gz FAVOHSCFPDIZBG-RDBSUJKOSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H](CC(N)=O)NC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC000665758245 418939466 /nfs/dbraw/zinc/93/94/66/418939466.db2.gz CGUAVQKYKIXIQW-RYUDHWBXSA-N 1 3 301.435 -0.179 20 0 DBADHO C[C@@H](CC(N)=O)NC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC000665758245 418939470 /nfs/dbraw/zinc/93/94/70/418939470.db2.gz CGUAVQKYKIXIQW-RYUDHWBXSA-N 1 3 301.435 -0.179 20 0 DBADHO CO[C@H](C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000668302384 544424481 /nfs/dbraw/zinc/42/44/81/544424481.db2.gz GBZQXTHJQJWLLL-KGLIPLIRSA-N 1 3 301.431 -0.010 20 0 DBADHO CO[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)[C@@H]1CCOC1 ZINC000668302386 544424822 /nfs/dbraw/zinc/42/48/22/544424822.db2.gz GBZQXTHJQJWLLL-ZIAGYGMSSA-N 1 3 301.431 -0.010 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000669473302 544569172 /nfs/dbraw/zinc/56/91/72/544569172.db2.gz VCOGQDOHMCQBAS-MJBXVCDLSA-N 1 3 314.430 -0.145 20 0 DBADHO CN1C[C@H](C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)NC1=O ZINC000667641707 544746690 /nfs/dbraw/zinc/74/66/90/544746690.db2.gz ALDSWJGHXOTRCI-CQSZACIVSA-N 1 3 323.441 -0.315 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000685303239 545028829 /nfs/dbraw/zinc/02/88/29/545028829.db2.gz NWJRZSWCNYOINR-UXOAXIEHSA-N 1 3 322.453 -0.006 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000685307954 545028883 /nfs/dbraw/zinc/02/88/83/545028883.db2.gz ZTOUCSVJHZGQKV-BPLDGKMQSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000685307954 545028885 /nfs/dbraw/zinc/02/88/85/545028885.db2.gz ZTOUCSVJHZGQKV-BPLDGKMQSA-N 1 3 320.437 -0.108 20 0 DBADHO CN(C)CC[N@H+](C)CCCN(C)C(=O)CN1CCN(C)CC1 ZINC000685861298 545034314 /nfs/dbraw/zinc/03/43/14/545034314.db2.gz RQXIWLJBMKFJDD-UHFFFAOYSA-N 1 3 313.490 -0.424 20 0 DBADHO CN(C)CC[N@@H+](C)CCCN(C)C(=O)CN1CCN(C)CC1 ZINC000685861298 545034315 /nfs/dbraw/zinc/03/43/15/545034315.db2.gz RQXIWLJBMKFJDD-UHFFFAOYSA-N 1 3 313.490 -0.424 20 0 DBADHO CN(CCCN(C)C(=O)CN1CCN(C)CC1)CC[NH+](C)C ZINC000685861298 545034316 /nfs/dbraw/zinc/03/43/16/545034316.db2.gz RQXIWLJBMKFJDD-UHFFFAOYSA-N 1 3 313.490 -0.424 20 0 DBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCC[NH3+] ZINC000418842778 265752572 /nfs/dbraw/zinc/75/25/72/265752572.db2.gz BQGFIRKWQHIXLX-CQSZACIVSA-N 1 3 306.410 -0.260 20 0 DBADHO CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418881880 265755667 /nfs/dbraw/zinc/75/56/67/265755667.db2.gz YCLAHYWKZHJJIB-HUUCEWRRSA-N 1 3 318.421 -0.246 20 0 DBADHO CC1CC[NH+](CCCNC(=O)C(=O)N(CCN)CCO)CC1 ZINC000418996680 265759979 /nfs/dbraw/zinc/75/99/79/265759979.db2.gz JYDIOABLIHOXII-UHFFFAOYSA-N 1 3 314.430 -0.996 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)NCC[NH3+])Cc2ccccc2C1 ZINC000419360992 265785003 /nfs/dbraw/zinc/78/50/03/265785003.db2.gz AHPJIDHBFRFNAQ-UHFFFAOYSA-N 1 3 304.394 -0.723 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000419404289 265786418 /nfs/dbraw/zinc/78/64/18/265786418.db2.gz FSCKSOFVNCCAKB-CQSZACIVSA-N 1 3 310.442 -0.050 20 0 DBADHO O=C(C[C@H]1C[NH2+]CCO1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000430874671 266015325 /nfs/dbraw/zinc/01/53/25/266015325.db2.gz GFEHDIDGAQSJBZ-AWEZNQCLSA-N 1 3 324.425 -0.869 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000431030899 266017633 /nfs/dbraw/zinc/01/76/33/266017633.db2.gz SPPPKRVBINIYJD-CQSZACIVSA-N 1 3 312.458 -0.103 20 0 DBADHO CC(C)[C@@H](C[NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000433162895 266038334 /nfs/dbraw/zinc/03/83/34/266038334.db2.gz NMDMYRVYINLQOC-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CNC(=O)NC(=O)CCN1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436055184 266066831 /nfs/dbraw/zinc/06/68/31/266066831.db2.gz RFBBFIWVPLMJAY-NSHDSACASA-N 1 3 313.402 -0.848 20 0 DBADHO CCOC(=O)N1CCN(C(=O)CN2CCC(C[NH3+])CC2)CC1 ZINC000496830889 266246129 /nfs/dbraw/zinc/24/61/29/266246129.db2.gz VTQDVGXVQUJNSQ-UHFFFAOYSA-N 1 3 312.414 -0.042 20 0 DBADHO COc1ccc([C@H](C[NH3+])CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000515171517 266269200 /nfs/dbraw/zinc/26/92/00/266269200.db2.gz QXMKKVMFBVTPTB-FMKPAKJESA-N 1 3 318.421 -0.019 20 0 DBADHO CN(C)CCOCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000516059561 266276945 /nfs/dbraw/zinc/27/69/45/266276945.db2.gz LFFPAOLHXVOCTK-GFCCVEGCSA-N 1 3 310.402 -0.662 20 0 DBADHO C[C@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000518960527 266305377 /nfs/dbraw/zinc/30/53/77/266305377.db2.gz CKNBPSJRGCJAQW-IGQOVBAYSA-N 1 3 306.410 -0.641 20 0 DBADHO COCCN(C)CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000520401452 266317879 /nfs/dbraw/zinc/31/78/79/266317879.db2.gz KFVWEBOQSQTHHG-LBPRGKRZSA-N 1 3 310.402 -0.662 20 0 DBADHO CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@@H]2CNCCO2)CC1 ZINC000418770018 278545690 /nfs/dbraw/zinc/54/56/90/278545690.db2.gz QHYWEXFOSVLRFZ-KBPBESRZSA-N 1 3 314.430 -0.633 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000331417447 288126283 /nfs/dbraw/zinc/12/62/83/288126283.db2.gz SUQCPLJJJOTMGR-MRVWCRGKSA-N 1 3 308.426 -0.075 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)C1 ZINC000332676793 289290207 /nfs/dbraw/zinc/29/02/07/289290207.db2.gz OFMXYTSPKKLSSK-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H]2CNCCO2)CC1 ZINC000262009581 290083380 /nfs/dbraw/zinc/08/33/80/290083380.db2.gz SVUOGIHJIUSNHD-ZFWWWQNUSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H]1C[C@H](CN2CCN(C(=O)CN3CCOCC3)CC2)CC[NH2+]1 ZINC000414683747 297400112 /nfs/dbraw/zinc/40/01/12/297400112.db2.gz ULYBETUEVXUFEJ-HZPDHXFCSA-N 1 3 324.469 -0.149 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000572593275 332125083 /nfs/dbraw/zinc/12/50/83/332125083.db2.gz AZSJVUILJRTAPG-HZSPNIEDSA-N 1 3 306.410 -0.639 20 0 DBADHO COCCNCCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000569583010 332145550 /nfs/dbraw/zinc/14/55/50/332145550.db2.gz FZIZPDQGMRHROC-UHFFFAOYSA-N 1 3 302.419 -0.368 20 0 DBADHO CSC[C@H](C)NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000583222863 337278057 /nfs/dbraw/zinc/27/80/57/337278057.db2.gz ZENHFTBAPAVMGZ-LBPRGKRZSA-N 1 3 318.487 -0.194 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000583269955 337297516 /nfs/dbraw/zinc/29/75/16/337297516.db2.gz MIFSRBLXFBOEAF-YRGRVCCFSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000583269955 337297517 /nfs/dbraw/zinc/29/75/17/337297517.db2.gz MIFSRBLXFBOEAF-YRGRVCCFSA-N 1 3 308.426 -0.075 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000584411436 337321298 /nfs/dbraw/zinc/32/12/98/337321298.db2.gz YVMZDKZNZVCUFY-NHYWBVRUSA-N 1 3 319.409 -0.064 20 0 DBADHO CN(C)[C@]1(CNC(=O)c2cn(CCC[NH3+])nn2)CCSC1 ZINC000567807713 341634494 /nfs/dbraw/zinc/63/44/94/341634494.db2.gz VEXBHNXMWPEPEC-ZDUSSCGKSA-N 1 3 312.443 -0.206 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000574400840 341757473 /nfs/dbraw/zinc/75/74/73/341757473.db2.gz YVBYEKRXJZGRDD-HNNXBMFYSA-N 1 3 321.425 -0.223 20 0 DBADHO C[NH+](C)C1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC1 ZINC000576600073 341854617 /nfs/dbraw/zinc/85/46/17/341854617.db2.gz TZRJUAOQKRIGAU-RYUDHWBXSA-N 1 3 309.414 -0.576 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418500819 533762935 /nfs/dbraw/zinc/76/29/35/533762935.db2.gz ZLWLPUGJBMXCNS-ZDUSSCGKSA-N 1 3 313.446 -0.127 20 0 DBADHO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CN2CCN1CCC2 ZINC000343825575 520290348 /nfs/dbraw/zinc/29/03/48/520290348.db2.gz LKNFLLGSEXUQPH-LSDHHAIUSA-N 1 3 312.458 -0.151 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333796131 520574414 /nfs/dbraw/zinc/57/44/14/520574414.db2.gz HAYACVJQSSDWLP-NHAGDIPZSA-N 1 3 323.441 -0.600 20 0 DBADHO CCN1CC[NH+](CCCCNC(=O)[C@@H]2NCCO[C@@H]2C)CC1 ZINC000344312541 521678848 /nfs/dbraw/zinc/67/88/48/521678848.db2.gz NQVKIWAZBFGLLP-HUUCEWRRSA-N 1 3 312.458 -0.103 20 0 DBADHO CC[NH+]1CCN(CCCCNC(=O)[C@@H]2NCCO[C@@H]2C)CC1 ZINC000344312541 521678850 /nfs/dbraw/zinc/67/88/50/521678850.db2.gz NQVKIWAZBFGLLP-HUUCEWRRSA-N 1 3 312.458 -0.103 20 0 DBADHO CCN1CCO[C@H](C(=O)NCCC[N@H+](C)CCN(C)C)C1 ZINC000365680786 521707342 /nfs/dbraw/zinc/70/73/42/521707342.db2.gz SBSWZSIEAVCVBD-AWEZNQCLSA-N 1 3 300.447 -0.293 20 0 DBADHO CCN1CCO[C@H](C(=O)NCCC[N@@H+](C)CCN(C)C)C1 ZINC000365680786 521707344 /nfs/dbraw/zinc/70/73/44/521707344.db2.gz SBSWZSIEAVCVBD-AWEZNQCLSA-N 1 3 300.447 -0.293 20 0 DBADHO CCN1CCO[C@H](C(=O)NCCCN(C)CC[NH+](C)C)C1 ZINC000365680786 521707346 /nfs/dbraw/zinc/70/73/46/521707346.db2.gz SBSWZSIEAVCVBD-AWEZNQCLSA-N 1 3 300.447 -0.293 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1=O ZINC000368216656 521769975 /nfs/dbraw/zinc/76/99/75/521769975.db2.gz RVCOFWBYTFGOND-STQMWFEESA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1=O ZINC000343618153 521770551 /nfs/dbraw/zinc/77/05/51/521770551.db2.gz HSQCKPWTMFFRIW-RHSMWYFYSA-N 1 3 322.453 -0.001 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1=O ZINC000368216653 521774524 /nfs/dbraw/zinc/77/45/24/521774524.db2.gz RVCOFWBYTFGOND-CHWSQXEVSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)[C@@]1(CNC(=O)N2CCO[C@H](C[NH3+])C2)CCSC1 ZINC000333356675 522062556 /nfs/dbraw/zinc/06/25/56/522062556.db2.gz KJRJGOWFLIRIHE-DGCLKSJQSA-N 1 3 302.444 -0.207 20 0 DBADHO CN(C)[C@]1(CNC(=O)N2CCO[C@H](C[NH3+])C2)CCSC1 ZINC000333356677 522110383 /nfs/dbraw/zinc/11/03/83/522110383.db2.gz KJRJGOWFLIRIHE-YPMHNXCESA-N 1 3 302.444 -0.207 20 0 DBADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000332188547 523479847 /nfs/dbraw/zinc/47/98/47/523479847.db2.gz XHRUGELUJNRDFR-MGPQQGTHSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000332188547 523479855 /nfs/dbraw/zinc/47/98/55/523479855.db2.gz XHRUGELUJNRDFR-MGPQQGTHSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000332550473 523481364 /nfs/dbraw/zinc/48/13/64/523481364.db2.gz JIXOQEBTCPFYJW-BFHYXJOUSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CCCN(C)CC(=O)N1CCOCC1)CC[NH+](C)C ZINC000344026420 524061074 /nfs/dbraw/zinc/06/10/74/524061074.db2.gz JQDCKJVEHOQMCM-UHFFFAOYSA-N 1 3 300.447 -0.340 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344023590 524077636 /nfs/dbraw/zinc/07/76/36/524077636.db2.gz AYWTWCFOZOMWNJ-GFCCVEGCSA-N 1 3 301.435 -0.354 20 0 DBADHO C[C@H](C[NH+](C)C)NC(=O)CSCC(=O)N[C@@H](C)CN(C)C ZINC000346137515 524290153 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ZINC000981645302 665864256 /nfs/dbraw/zinc/86/42/56/665864256.db2.gz ACTIJUIJHLUZKS-CKDBGZEDSA-N 1 3 323.437 -0.234 20 0 DBADHO O=C([C@@H]1C[N@H+]2CC3CC2(C3)CO1)N1CCCN(CCCO)CC1 ZINC000981645302 665864258 /nfs/dbraw/zinc/86/42/58/665864258.db2.gz ACTIJUIJHLUZKS-CKDBGZEDSA-N 1 3 323.437 -0.234 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001020542129 663834514 /nfs/dbraw/zinc/83/45/14/663834514.db2.gz WBJRNNFWEWXMQL-JOCQHMNTSA-N 1 3 306.414 -0.106 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020584997 663868977 /nfs/dbraw/zinc/86/89/77/663868977.db2.gz BTPMJQFELRWZRP-MGPQQGTHSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC001020586281 663869766 /nfs/dbraw/zinc/86/97/66/663869766.db2.gz JZBMGOYQMZUIFS-IHRRRGAJSA-N 1 3 323.441 -0.267 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@H]2C[C@H]([NH2+][C@H]3CCC(=O)NC3=O)C2)C1 ZINC001020588706 663870062 /nfs/dbraw/zinc/87/00/62/663870062.db2.gz 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C[C@H](NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1)C1CN(CCO)C1 ZINC000970168783 663933960 /nfs/dbraw/zinc/93/39/60/663933960.db2.gz HBJQFYZCLNICNM-RDNPCOENSA-N 1 3 309.410 -0.722 20 0 DBADHO C[C@@H](NC(=O)[C@H]1CN2CC3CC2(C3)CO1)C1C[NH+](CCCO)C1 ZINC000970168542 663933994 /nfs/dbraw/zinc/93/39/94/663933994.db2.gz CPDDPZRXRGKJBP-RZZRIIHNSA-N 1 3 323.437 -0.332 20 0 DBADHO NC(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC000970447322 663991976 /nfs/dbraw/zinc/99/19/76/663991976.db2.gz KQAHMNGTUVRVCL-CQSZACIVSA-N 1 3 308.426 -0.216 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000970717997 664040095 /nfs/dbraw/zinc/04/00/95/664040095.db2.gz RJAHEABTDHCHFH-CQSZACIVSA-N 1 3 308.426 -0.105 20 0 DBADHO CN1CCN(CCCNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000091138012 664159080 /nfs/dbraw/zinc/15/90/80/664159080.db2.gz SIGOWXKTSKJFAV-ZDUSSCGKSA-N 1 3 300.472 -0.165 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001022089184 664211010 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308.426 -0.156 20 0 DBADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)N(C)C ZINC001011158921 664365927 /nfs/dbraw/zinc/36/59/27/664365927.db2.gz JBWXDVKYCYIKNV-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](C(=O)N1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)N(C)C ZINC001011158921 664365931 /nfs/dbraw/zinc/36/59/31/664365931.db2.gz JBWXDVKYCYIKNV-KGLIPLIRSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911027971 674666603 /nfs/dbraw/zinc/66/66/03/674666603.db2.gz GEWHVBGIOTXDFW-REWJHTLYSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000911027973 674666810 /nfs/dbraw/zinc/66/68/10/674666810.db2.gz GEWHVBGIOTXDFW-RFQIPJPRSA-N 1 3 310.442 -0.053 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000911004900 674667438 /nfs/dbraw/zinc/66/74/38/674667438.db2.gz UOKZBZUCPAOKNY-BFHYXJOUSA-N 1 3 324.425 -0.778 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892573999 664945136 /nfs/dbraw/zinc/94/51/36/664945136.db2.gz CSVMFMFYQHIOJV-IHRRRGAJSA-N 1 3 323.441 -0.328 20 0 DBADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)[C@H]1C[NH+]2CCC1CC2 ZINC001025787573 665086207 /nfs/dbraw/zinc/08/62/07/665086207.db2.gz UURTZESKBNZRHA-VQJWOFKYSA-N 1 3 318.421 -0.737 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000911145928 674682459 /nfs/dbraw/zinc/68/24/59/674682459.db2.gz HWCFETSMZPMPIL-RTXFEEFZSA-N 1 3 308.426 -0.219 20 0 DBADHO CN1CCC[C@H]([NH2+][C@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001019774961 665096575 /nfs/dbraw/zinc/09/65/75/665096575.db2.gz PGXVWHKACDTCQP-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)N1CCNCC1 ZINC000020567331 665107849 /nfs/dbraw/zinc/10/78/49/665107849.db2.gz RIJIIRQBPYLXAZ-CYBMUJFWSA-N 1 3 304.460 -0.010 20 0 DBADHO C[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)N1CCNCC1 ZINC000020567331 665107853 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308.426 -0.073 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CC([NH2+]CC(=O)N2CCC2)C1 ZINC000999834714 678752179 /nfs/dbraw/zinc/75/21/79/678752179.db2.gz VJPGWRHDHALVGN-UHFFFAOYSA-N 1 3 308.426 -0.107 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999895445 678757382 /nfs/dbraw/zinc/75/73/82/678757382.db2.gz BDIPMZONTQGPKP-CYBMUJFWSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC(NC(=O)CN3CCC(C)(C)C3)C2)C1 ZINC000999895445 678757390 /nfs/dbraw/zinc/75/73/90/678757390.db2.gz BDIPMZONTQGPKP-CYBMUJFWSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H](n3ccnn3)[C@@H](N(C)C)C2)CC[N@@H+]1C ZINC000925347064 678812257 /nfs/dbraw/zinc/81/22/57/678812257.db2.gz WTRGKXXMZUMPOC-XDQVBPFNSA-N 1 3 321.429 -0.133 20 0 DBADHO C[C@H]1[C@@H](NC(=O)N2C[C@@H](n3ccnn3)[C@@H](N(C)C)C2)CC[N@H+]1C ZINC000925347064 678812258 /nfs/dbraw/zinc/81/22/58/678812258.db2.gz WTRGKXXMZUMPOC-XDQVBPFNSA-N 1 3 321.429 -0.133 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H](NCC(N)=O)C2)cn1 ZINC001000431790 678840314 /nfs/dbraw/zinc/84/03/14/678840314.db2.gz LNTXJJXVXZJNOE-CYBMUJFWSA-N 1 3 322.413 -0.876 20 0 DBADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001000715046 678867451 /nfs/dbraw/zinc/86/74/51/678867451.db2.gz OYYUNTYXISOSEH-GJZGRUSLSA-N 1 3 309.410 -0.410 20 0 DBADHO O=C(NCC1=CCN(CCO)CC1)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001000715046 678867456 /nfs/dbraw/zinc/86/74/56/678867456.db2.gz OYYUNTYXISOSEH-GJZGRUSLSA-N 1 3 309.410 -0.410 20 0 DBADHO O=C(CN[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1)N1CCC1 ZINC001000710994 678867648 /nfs/dbraw/zinc/86/76/48/678867648.db2.gz MNUCBQJVDIXWMJ-CQSZACIVSA-N 1 3 320.437 -0.105 20 0 DBADHO O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001001647157 678945257 /nfs/dbraw/zinc/94/52/57/678945257.db2.gz SFUMSIKYHYJVPS-ISXOHVOVSA-N 1 3 323.437 -0.330 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001001978009 678964113 /nfs/dbraw/zinc/96/41/13/678964113.db2.gz PBRWFWUDBZCWLC-KGLIPLIRSA-N 1 3 308.426 -0.393 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001001978009 678964115 /nfs/dbraw/zinc/96/41/15/678964115.db2.gz PBRWFWUDBZCWLC-KGLIPLIRSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001001999869 678965424 /nfs/dbraw/zinc/96/54/24/678965424.db2.gz SRELPUZXORVFPZ-ZFWWWQNUSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001001999869 678965426 /nfs/dbraw/zinc/96/54/26/678965426.db2.gz SRELPUZXORVFPZ-ZFWWWQNUSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001002000887 678965867 /nfs/dbraw/zinc/96/58/67/678965867.db2.gz YAEPRHKAOGNESR-UKRRQHHQSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001002000887 678965869 /nfs/dbraw/zinc/96/58/69/678965869.db2.gz YAEPRHKAOGNESR-UKRRQHHQSA-N 1 3 322.453 -0.146 20 0 DBADHO CC[C@H](C(=O)N1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)N(C)C ZINC001003331438 679033804 /nfs/dbraw/zinc/03/38/04/679033804.db2.gz PFJKAQIPPPGXMC-CQSZACIVSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CCCCC1 ZINC000842015866 805579994 /nfs/dbraw/zinc/57/99/94/805579994.db2.gz PFEPDQPQMLTDQV-MJBXVCDLSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)CN1CCN(C)CC1 ZINC000844192374 805653325 /nfs/dbraw/zinc/65/33/25/805653325.db2.gz OMMGLMVMAUXPOL-GJZGRUSLSA-N 1 3 312.458 -0.245 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=S)NCC[NH+](C)C ZINC000849292710 805862922 /nfs/dbraw/zinc/86/29/22/805862922.db2.gz IHBJIXDMKYFLLT-UHFFFAOYSA-N 1 3 303.476 -0.626 20 0 DBADHO [NH3+]CCn1cc(C(=O)NC[C@@H]2NCCc3ccccc32)nn1 ZINC000851635097 805921815 /nfs/dbraw/zinc/92/18/15/805921815.db2.gz ICEXYWUKXSWRID-ZDUSSCGKSA-N 1 3 300.366 -0.146 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001317069283 806081497 /nfs/dbraw/zinc/08/14/97/806081497.db2.gz IYSFCWQAYGIMQC-LBPRGKRZSA-N 1 3 320.459 -0.934 20 0 DBADHO CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)CCCC[NH+](C)C ZINC001317651837 806217650 /nfs/dbraw/zinc/21/76/50/806217650.db2.gz ZNUXZULFLALJJD-GFCCVEGCSA-N 1 3 312.414 -0.429 20 0 DBADHO CN(CCNCC(=O)N(C)C1CC1)C(=O)C12CC[NH+](CC1)C2 ZINC001317654522 806217696 /nfs/dbraw/zinc/21/76/96/806217696.db2.gz MUTXOILCEVOJRB-UHFFFAOYSA-N 1 3 308.426 -0.249 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861572401 806275190 /nfs/dbraw/zinc/27/51/90/806275190.db2.gz RENYQMRYIULPDS-STQMWFEESA-N 1 3 300.403 -0.615 20 0 DBADHO C[C@H]([NH3+])CN(C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000861569774 806275366 /nfs/dbraw/zinc/27/53/66/806275366.db2.gz DPUGDYPUEGYNPV-STQMWFEESA-N 1 3 313.446 -0.082 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861572051 806275863 /nfs/dbraw/zinc/27/58/63/806275863.db2.gz MJFCXQCGKLDXDX-UONOGXRCSA-N 1 3 314.430 -0.273 20 0 DBADHO C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)N1CCN(C)CC1 ZINC001318757793 806325920 /nfs/dbraw/zinc/32/59/20/806325920.db2.gz WCPNRNSSVBMROX-HUUCEWRRSA-N 1 3 311.474 -0.626 20 0 DBADHO C[C@@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@@H]1CCCN1C ZINC001319435404 806378122 /nfs/dbraw/zinc/37/81/22/806378122.db2.gz CRZMQKMELKNZOL-RYUDHWBXSA-N 1 3 320.459 -0.934 20 0 DBADHO Cn1nnnc1CCN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000866661862 806446981 /nfs/dbraw/zinc/44/69/81/806446981.db2.gz VEBUAVBCIXOUET-CHWSQXEVSA-N 1 3 321.429 -0.667 20 0 DBADHO C[C@H](CN1CCOCC1)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711785 806452274 /nfs/dbraw/zinc/45/22/74/806452274.db2.gz NPODZXRYPFMUHY-TUVASFSCSA-N 1 3 324.425 -0.426 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]C[C@H](O)Cn1cccn1 ZINC001321000512 806553566 /nfs/dbraw/zinc/55/35/66/806553566.db2.gz ZEGDXAPWQUOCFO-MQQKUOPWSA-N 1 3 321.425 -0.400 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)C1 ZINC001321251016 806595007 /nfs/dbraw/zinc/59/50/07/806595007.db2.gz PLVLAYOWRFRRHH-TYHIMRJMSA-N 1 3 308.426 -0.179 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)C1 ZINC001321251016 806595013 /nfs/dbraw/zinc/59/50/13/806595013.db2.gz PLVLAYOWRFRRHH-TYHIMRJMSA-N 1 3 308.426 -0.179 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870999438 806615837 /nfs/dbraw/zinc/61/58/37/806615837.db2.gz OGTHKCMUEXVUGZ-XQQFMLRXSA-N 1 3 310.398 -0.278 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001321966639 806694005 /nfs/dbraw/zinc/69/40/05/806694005.db2.gz QLJZKENFURXZFS-NSHDSACASA-N 1 3 305.444 -0.533 20 0 DBADHO CN(CCC[NH2+]CCCS(C)(=O)=O)C(=O)[C@H]1CCCN1C ZINC001322441904 806739979 /nfs/dbraw/zinc/73/99/79/806739979.db2.gz GMKRNEGPBCCBHR-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875236897 806740232 /nfs/dbraw/zinc/74/02/32/806740232.db2.gz GKLYAAQOOFDRPF-HZSPNIEDSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000875236897 806740237 /nfs/dbraw/zinc/74/02/37/806740237.db2.gz GKLYAAQOOFDRPF-HZSPNIEDSA-N 1 3 312.414 -0.785 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CC12CCC2 ZINC000875862963 806768629 /nfs/dbraw/zinc/76/86/29/806768629.db2.gz JJPNIBYIXKPFJV-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CNCCO1 ZINC000876916510 806814765 /nfs/dbraw/zinc/81/47/65/806814765.db2.gz BYDRVAKKPAYVGR-STQMWFEESA-N 1 3 307.398 -0.166 20 0 DBADHO O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1[nH]nc2c1CNCC2 ZINC000877331685 806832755 /nfs/dbraw/zinc/83/27/55/806832755.db2.gz QAWHZPCTDZKKAU-LLVKDONJSA-N 1 3 319.409 -0.056 20 0 DBADHO O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1[nH]nc2c1CNCC2 ZINC000877331686 806833394 /nfs/dbraw/zinc/83/33/94/806833394.db2.gz QAWHZPCTDZKKAU-NSHDSACASA-N 1 3 319.409 -0.056 20 0 DBADHO C[C@H](CNS(=O)(=O)N1CCNCC1)C[NH+]1CCCCC1 ZINC000040862215 803762023 /nfs/dbraw/zinc/76/20/23/803762023.db2.gz LVMGSLGGKIDACD-CYBMUJFWSA-N 1 3 304.460 -0.152 20 0 DBADHO CC(C)N1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCCO ZINC001278165671 803762658 /nfs/dbraw/zinc/76/26/58/803762658.db2.gz YQRZRZFFTUXEJK-UONOGXRCSA-N 1 3 301.431 -0.302 20 0 DBADHO COC[C@@H](C)NC(=[NH2+])NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000104191969 803804212 /nfs/dbraw/zinc/80/42/12/803804212.db2.gz QDVKXHNDQRKTGG-CHWSQXEVSA-N 1 3 313.446 -0.132 20 0 DBADHO CN(C[C@H](O)C[NH2+]CCc1cnn(C)c1)C(=O)Cc1c[nH]cn1 ZINC001278811519 803834184 /nfs/dbraw/zinc/83/41/84/803834184.db2.gz VNPIKMSQZNXINV-CQSZACIVSA-N 1 3 320.397 -0.663 20 0 DBADHO CN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001283548288 804527008 /nfs/dbraw/zinc/52/70/08/804527008.db2.gz ZSVFWTFIUMKWAE-LBPRGKRZSA-N 1 3 307.398 -0.131 20 0 DBADHO CN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001283548288 804527013 /nfs/dbraw/zinc/52/70/13/804527013.db2.gz ZSVFWTFIUMKWAE-LBPRGKRZSA-N 1 3 307.398 -0.131 20 0 DBADHO Cn1cncc1CCN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000883439025 807014482 /nfs/dbraw/zinc/01/44/82/807014482.db2.gz HJYZOJHOZJUKJO-MJBXVCDLSA-N 1 3 305.382 -0.171 20 0 DBADHO CN(C[C@H](O)C[NH2+]CC[C@@H]1CCCO1)C(=O)Cc1c[nH]cn1 ZINC001284446598 804709393 /nfs/dbraw/zinc/70/93/93/804709393.db2.gz LHWLSURLGWEYQB-KGLIPLIRSA-N 1 3 310.398 -0.070 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000793935810 804742093 /nfs/dbraw/zinc/74/20/93/804742093.db2.gz HOJOYIOYRIZTNV-ZIAGYGMSSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000793935810 804742097 /nfs/dbraw/zinc/74/20/97/804742097.db2.gz HOJOYIOYRIZTNV-ZIAGYGMSSA-N 1 3 324.425 -0.824 20 0 DBADHO COC(=O)[C@]12CN(C[C@H](O)C[NH+]3CCCC3)C[C@H]1COCC2 ZINC000796520282 804771590 /nfs/dbraw/zinc/77/15/90/804771590.db2.gz RTLCZKIBWMFPLS-SQWLQELKSA-N 1 3 312.410 -0.045 20 0 DBADHO CON(C)C(=O)CC[NH2+]CCCN1CCC[C@@H](C(N)=O)C1 ZINC000819003722 805120218 /nfs/dbraw/zinc/12/02/18/805120218.db2.gz GUGDMLRJTBQHTF-GFCCVEGCSA-N 1 3 300.403 -0.427 20 0 DBADHO CON(C)C(=O)CCNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000819003722 805120226 /nfs/dbraw/zinc/12/02/26/805120226.db2.gz GUGDMLRJTBQHTF-GFCCVEGCSA-N 1 3 300.403 -0.427 20 0 DBADHO CON(C)C(=O)CCNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000819003722 805120231 /nfs/dbraw/zinc/12/02/31/805120231.db2.gz GUGDMLRJTBQHTF-GFCCVEGCSA-N 1 3 300.403 -0.427 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)CC1 ZINC000820074480 805143277 /nfs/dbraw/zinc/14/32/77/805143277.db2.gz JPEOQKJOIRMKPJ-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CCNC(=O)CC1 ZINC000820074480 805143281 /nfs/dbraw/zinc/14/32/81/805143281.db2.gz JPEOQKJOIRMKPJ-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO CO[C@@H](CN)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000884401020 807047788 /nfs/dbraw/zinc/04/77/88/807047788.db2.gz BPXOXMYFIFFVMW-GJZGRUSLSA-N 1 3 307.394 -0.157 20 0 DBADHO CO[C@@H](CN)C(=O)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000884401020 807047795 /nfs/dbraw/zinc/04/77/95/807047795.db2.gz BPXOXMYFIFFVMW-GJZGRUSLSA-N 1 3 307.394 -0.157 20 0 DBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000884560340 807056456 /nfs/dbraw/zinc/05/64/56/807056456.db2.gz VARYDNVMBJDUGB-RDBSUJKOSA-N 1 3 324.425 -0.694 20 0 DBADHO CCN(C(=O)C(=O)NCCN(C)CCCOC)[C@@H]1CC[NH2+]C1 ZINC000884587300 807058855 /nfs/dbraw/zinc/05/88/55/807058855.db2.gz FVKAHMOXEREUJY-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCSC1 ZINC000884612517 807059835 /nfs/dbraw/zinc/05/98/35/807059835.db2.gz MWPFAWALUVQGAL-MJVIPROJSA-N 1 3 312.439 -0.887 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884617204 807061203 /nfs/dbraw/zinc/06/12/03/807061203.db2.gz JIXFBBONXBGAFZ-MJBXVCDLSA-N 1 3 308.426 -0.060 20 0 DBADHO C[NH2+][C@@H](C)CCNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC001325363038 807063980 /nfs/dbraw/zinc/06/39/80/807063980.db2.gz RERMLOCVSRQXCY-SMDDNHRTSA-N 1 3 316.471 -0.346 20 0 DBADHO C[NH2+][C@H](C)CCNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC001325363036 807064089 /nfs/dbraw/zinc/06/40/89/807064089.db2.gz RERMLOCVSRQXCY-RISCZKNCSA-N 1 3 316.471 -0.346 20 0 DBADHO CCN(C(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)[C@H]1CC[NH2+]C1 ZINC000887066173 807148983 /nfs/dbraw/zinc/14/89/83/807148983.db2.gz FKNIHWPOCDUBRL-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC(OCCC[NH3+])CC1 ZINC001326310058 807169653 /nfs/dbraw/zinc/16/96/53/807169653.db2.gz VKBLGFIHLUUOMJ-AWEZNQCLSA-N 1 3 314.430 -0.558 20 0 DBADHO COC1(C(=O)NCCCCN2CCN(C)CC2)CC[NH2+]CC1 ZINC001326407407 807178409 /nfs/dbraw/zinc/17/84/09/807178409.db2.gz COZJIVMVAVNTAR-UHFFFAOYSA-N 1 3 312.458 -0.101 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H](F)C1 ZINC001326500440 807187743 /nfs/dbraw/zinc/18/77/43/807187743.db2.gz CGYXNQBBCQRRHW-ZDUSSCGKSA-N 1 3 316.421 -0.101 20 0 DBADHO C[C@@]1(C2CCN(CCN3CC[NH2+]CC3)CC2)NC(=O)NC1=O ZINC001326583919 807195208 /nfs/dbraw/zinc/19/52/08/807195208.db2.gz POYHGUDANQIUBQ-HNNXBMFYSA-N 1 3 309.414 -0.798 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000889761875 807202463 /nfs/dbraw/zinc/20/24/63/807202463.db2.gz HVRHZNAEBANEMH-XHSDSOJGSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889761875 807202469 /nfs/dbraw/zinc/20/24/69/807202469.db2.gz HVRHZNAEBANEMH-XHSDSOJGSA-N 1 3 322.453 -0.566 20 0 DBADHO CN1CCN(CCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000899991421 807279731 /nfs/dbraw/zinc/27/97/31/807279731.db2.gz MFKFPDSJRWVNPA-INIZCTEOSA-N 1 3 312.458 -0.413 20 0 DBADHO CN1CCN(CCCNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)CC1 ZINC000899991421 807279739 /nfs/dbraw/zinc/27/97/39/807279739.db2.gz MFKFPDSJRWVNPA-INIZCTEOSA-N 1 3 312.458 -0.413 20 0 DBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001327498095 807293437 /nfs/dbraw/zinc/29/34/37/807293437.db2.gz JAWDLZHTOWFPJK-AAEUAGOBSA-N 1 3 312.414 -0.839 20 0 DBADHO CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900675779 807318658 /nfs/dbraw/zinc/31/86/58/807318658.db2.gz VOSHFRYDHJJLQF-YSVLISHTSA-N 1 3 324.469 -0.274 20 0 DBADHO CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000900675779 807318667 /nfs/dbraw/zinc/31/86/67/807318667.db2.gz VOSHFRYDHJJLQF-YSVLISHTSA-N 1 3 324.469 -0.274 20 0 DBADHO CN1C[C@H](O)C[C@]1(C)C(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000900675779 807318676 /nfs/dbraw/zinc/31/86/76/807318676.db2.gz VOSHFRYDHJJLQF-YSVLISHTSA-N 1 3 324.469 -0.274 20 0 DBADHO COCCOC[C@H](O)CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC001327979360 807364451 /nfs/dbraw/zinc/36/44/51/807364451.db2.gz VXZGUWZOVBLRMB-BZUAXINKSA-N 1 3 316.442 -0.022 20 0 DBADHO NS(=O)(=O)CCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903505435 807390934 /nfs/dbraw/zinc/39/09/34/807390934.db2.gz BLUDENJDQUEZMX-OKILXGFUSA-N 1 3 316.471 -0.434 20 0 DBADHO NS(=O)(=O)CCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903505435 807390942 /nfs/dbraw/zinc/39/09/42/807390942.db2.gz BLUDENJDQUEZMX-OKILXGFUSA-N 1 3 316.471 -0.434 20 0 DBADHO COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1CN(C[C@H](C)CS(C)(=O)=O)C2 ZINC000903493753 807391039 /nfs/dbraw/zinc/39/10/39/807391039.db2.gz WLUUYZXUORTNIQ-FMSGJZPZSA-N 1 3 318.439 -0.121 20 0 DBADHO CNC(=O)NC(=O)CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508854 807392623 /nfs/dbraw/zinc/39/26/23/807392623.db2.gz XJUMBTFXWWHKDU-OKILXGFUSA-N 1 3 323.441 -0.267 20 0 DBADHO CNC(=O)NC(=O)CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508854 807392632 /nfs/dbraw/zinc/39/26/32/807392632.db2.gz XJUMBTFXWWHKDU-OKILXGFUSA-N 1 3 323.441 -0.267 20 0 DBADHO CS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC000903508842 807392720 /nfs/dbraw/zinc/39/27/20/807392720.db2.gz WZXASRRGQBCEMU-OKILXGFUSA-N 1 3 316.471 -0.564 20 0 DBADHO CS(=O)(=O)NCCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC000903508842 807392727 /nfs/dbraw/zinc/39/27/27/807392727.db2.gz WZXASRRGQBCEMU-OKILXGFUSA-N 1 3 316.471 -0.564 20 0 DBADHO C[C@@](Cn1cccn1)(NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(N)=O ZINC000903830066 807416879 /nfs/dbraw/zinc/41/68/79/807416879.db2.gz RTRFSYOHOSZHOM-HIFRSBDPSA-N 1 3 321.425 -0.125 20 0 DBADHO COCCNC(=O)CN1CCN(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903878192 807418503 /nfs/dbraw/zinc/41/85/03/807418503.db2.gz SJVHYGYUYVIMIP-MQVJKMGUSA-N 1 3 324.469 -0.103 20 0 DBADHO COCCCNC(=O)C1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001328489503 807432609 /nfs/dbraw/zinc/43/26/09/807432609.db2.gz AFIZUSIVBGJPMG-UHFFFAOYSA-N 1 3 312.458 -0.244 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000905005772 807437038 /nfs/dbraw/zinc/43/70/38/807437038.db2.gz GDPYPHFXQDAASE-MLGOLLRUSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000905012513 807440109 /nfs/dbraw/zinc/44/01/09/807440109.db2.gz MGGWRXZVUMKPJE-INIZCTEOSA-N 1 3 308.426 -0.105 20 0 DBADHO COCCC[NH+]1CCC(NC[C@H](O)C2(O)CCOCC2)CC1 ZINC000905088296 807445098 /nfs/dbraw/zinc/44/50/98/807445098.db2.gz HVFKHQOILJPYSP-HNNXBMFYSA-N 1 3 316.442 -0.021 20 0 DBADHO CN1CCN(CCCNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC001328594161 807446476 /nfs/dbraw/zinc/44/64/76/807446476.db2.gz SAJTYQCEZSGGQN-UHFFFAOYSA-N 1 3 323.445 -0.616 20 0 DBADHO CN1CCN(CC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1(C)C ZINC000905248463 807450749 /nfs/dbraw/zinc/45/07/49/807450749.db2.gz UGMJVLHNABBBSQ-HOCLYGCPSA-N 1 3 315.458 -0.496 20 0 DBADHO CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C[C@H](O)CN2CCCC2)C1 ZINC000905701485 807466834 /nfs/dbraw/zinc/46/68/34/807466834.db2.gz DYMSZWDTLQWRFH-HZSPNIEDSA-N 1 3 315.414 -0.518 20 0 DBADHO C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CN(C)CCN1C ZINC000906780816 807499874 /nfs/dbraw/zinc/49/98/74/807499874.db2.gz SCVGHWUTYSRPDA-UKRRQHHQSA-N 1 3 311.474 -0.770 20 0 DBADHO C[C@@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CN(C)CCN1C ZINC000906780816 807499877 /nfs/dbraw/zinc/49/98/77/807499877.db2.gz SCVGHWUTYSRPDA-UKRRQHHQSA-N 1 3 311.474 -0.770 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000908201948 807579565 /nfs/dbraw/zinc/57/95/65/807579565.db2.gz NNAWHPYFTRWVMT-LZWOXQAQSA-N 1 3 311.426 -0.499 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)C1 ZINC000908201948 807579570 /nfs/dbraw/zinc/57/95/70/807579570.db2.gz NNAWHPYFTRWVMT-LZWOXQAQSA-N 1 3 311.426 -0.499 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H](CO)CN2CCCC2)n1 ZINC000908203234 807579878 /nfs/dbraw/zinc/57/98/78/807579878.db2.gz LJIGQARDAXTNKQ-CYBMUJFWSA-N 1 3 309.414 -0.369 20 0 DBADHO C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000908541783 807599251 /nfs/dbraw/zinc/59/92/51/807599251.db2.gz QPKSJUCRKLVWIO-HOCLYGCPSA-N 1 3 313.442 -0.204 20 0 DBADHO C[N@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCCCN2CCO)C1 ZINC000908541783 807599256 /nfs/dbraw/zinc/59/92/56/807599256.db2.gz QPKSJUCRKLVWIO-HOCLYGCPSA-N 1 3 313.442 -0.204 20 0 DBADHO CS(=O)(=O)NC[C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923303398 807656827 /nfs/dbraw/zinc/65/68/27/807656827.db2.gz LIWPPNZHPBZOIB-QWHCGFSZSA-N 1 3 317.455 -0.374 20 0 DBADHO NCC(C[NH3+])NCC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000923354457 807661800 /nfs/dbraw/zinc/66/18/00/807661800.db2.gz PRHGFIAMGVTJLM-UHFFFAOYSA-N 1 3 305.426 -0.794 20 0 DBADHO CNS(=O)(=O)C[C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923412116 807666260 /nfs/dbraw/zinc/66/62/60/807666260.db2.gz PFSACIUWPFSTSS-CHWSQXEVSA-N 1 3 317.455 -0.374 20 0 DBADHO C[C@H]1CN(CC(=O)N2CCN(C(=O)C3CC3)CC2)CC[C@@H]1C[NH3+] ZINC000923498660 807674473 /nfs/dbraw/zinc/67/44/73/807674473.db2.gz KNMUOULJBMLCDU-DZGCQCFKSA-N 1 3 322.453 -0.016 20 0 DBADHO COc1ccccc1[C@H](N)CNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923562444 807678327 /nfs/dbraw/zinc/67/83/27/807678327.db2.gz JDOLETUAFJRFLI-GFCCVEGCSA-N 1 3 314.411 -0.565 20 0 DBADHO CN1CCN(CCCCNS(=O)(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000923586519 807682514 /nfs/dbraw/zinc/68/25/14/807682514.db2.gz FLIBMSHULRVBBM-AWEZNQCLSA-N 1 3 318.487 -0.315 20 0 DBADHO CN1CCN(CCCCNS(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000923586520 807682692 /nfs/dbraw/zinc/68/26/92/807682692.db2.gz FLIBMSHULRVBBM-CQSZACIVSA-N 1 3 318.487 -0.315 20 0 DBADHO CC[C@H]1CCCCN1CCNS(=O)(=O)N1CC[NH2+]CC1 ZINC000923610480 807687196 /nfs/dbraw/zinc/68/71/96/807687196.db2.gz GFLADFYZSOLPCF-ZDUSSCGKSA-N 1 3 304.460 -0.010 20 0 DBADHO CN1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923629792 807693431 /nfs/dbraw/zinc/69/34/31/807693431.db2.gz GSRWSXVOMBSSGT-QWHCGFSZSA-N 1 3 302.444 -0.448 20 0 DBADHO [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2S(=O)(=O)C2CNC2)C1 ZINC000923651512 807696156 /nfs/dbraw/zinc/69/61/56/807696156.db2.gz GPBSZNOQEIUXJI-RAIGVLPGSA-N 1 3 303.428 -0.351 20 0 DBADHO CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)N2CCNCC2)CC1 ZINC000923657688 807698469 /nfs/dbraw/zinc/69/84/69/807698469.db2.gz CLAIHJNULQMFBH-ZDUSSCGKSA-N 1 3 316.471 -0.154 20 0 DBADHO [NH3+]C[C@H]1CN(S(=O)(=O)C2CNC2)CC[C@@H]1C(F)(F)F ZINC000923660734 807698592 /nfs/dbraw/zinc/69/85/92/807698592.db2.gz CSQWMYYPZNQATL-CBAPKCEASA-N 1 3 301.334 -0.253 20 0 DBADHO [NH3+][C@H]1CN(S(=O)(=O)N2CCNCC2)CC[C@@H]1C(F)(F)F ZINC000923677689 807702672 /nfs/dbraw/zinc/70/26/72/807702672.db2.gz NAZAJYOZOZRJOD-IUCAKERBSA-N 1 3 316.349 -0.652 20 0 DBADHO [NH3+]C[C@@]1(c2ccccc2)C[C@H](NS(=O)(=O)N2CCNCC2)C1 ZINC000923741768 807708048 /nfs/dbraw/zinc/70/80/48/807708048.db2.gz VVFYFPSZKSUYEE-GASCZTMLSA-N 1 3 324.450 -0.215 20 0 DBADHO CN(C)CCn1nccc1NC(=O)NCCN1CCC([NH3+])CC1 ZINC000926130527 807755412 /nfs/dbraw/zinc/75/54/12/807755412.db2.gz LRQHBEJAWNSCPM-UHFFFAOYSA-N 1 3 323.445 -0.011 20 0 DBADHO COCC[C@@H]([NH3+])C(=O)NCCCN1CCC(C(=O)OC)CC1 ZINC001330879920 807756123 /nfs/dbraw/zinc/75/61/23/807756123.db2.gz NSZRGMWBUPZGDG-CYBMUJFWSA-N 1 3 315.414 -0.259 20 0 DBADHO CN(C[C@H]1CCCN1C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000926382615 807766388 /nfs/dbraw/zinc/76/63/88/807766388.db2.gz MWYPAIHKAAJJEG-BFHYXJOUSA-N 1 3 308.426 -0.251 20 0 DBADHO CN1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCC1(C)C 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C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001076569461 821773062 /nfs/dbraw/zinc/77/30/62/821773062.db2.gz XXLQXBGOBAPZEN-RRFJBIMHSA-N 1 3 318.425 -0.238 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]3CN(CCn4cncn4)C[C@H]32)C1 ZINC001076569461 821773068 /nfs/dbraw/zinc/77/30/68/821773068.db2.gz XXLQXBGOBAPZEN-RRFJBIMHSA-N 1 3 318.425 -0.238 20 0 DBADHO C[C@@H]1C[N@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001080161023 824007666 /nfs/dbraw/zinc/00/76/66/824007666.db2.gz JMIYOHLRBXQQEM-QVCPJDEESA-N 1 3 323.437 -0.332 20 0 DBADHO C[C@@H]1C[N@@H+](CCCO)C[C@H]1NC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001080161023 824007673 /nfs/dbraw/zinc/00/76/73/824007673.db2.gz JMIYOHLRBXQQEM-QVCPJDEESA-N 1 3 323.437 -0.332 20 0 DBADHO CCN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001080630907 824067425 /nfs/dbraw/zinc/06/74/25/824067425.db2.gz VJWCOKGMCSVMHI-GFCCVEGCSA-N 1 3 319.409 -0.037 20 0 DBADHO CCN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001080630907 824067428 /nfs/dbraw/zinc/06/74/28/824067428.db2.gz VJWCOKGMCSVMHI-GFCCVEGCSA-N 1 3 319.409 -0.037 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082447697 824439871 /nfs/dbraw/zinc/43/98/71/824439871.db2.gz LHIHVYOSFVEFPM-MCIONIFRSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)N1CCC1 ZINC001082741815 824462283 /nfs/dbraw/zinc/46/22/83/824462283.db2.gz DPWQPQCVJYHEFM-RRFJBIMHSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCc1cnnn1C ZINC001082919897 824470584 /nfs/dbraw/zinc/47/05/84/824470584.db2.gz JLLIFQBIVVLPQA-YRGRVCCFSA-N 1 3 306.414 -0.297 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCc1cnnn1C ZINC001082919897 824470587 /nfs/dbraw/zinc/47/05/87/824470587.db2.gz JLLIFQBIVVLPQA-YRGRVCCFSA-N 1 3 306.414 -0.297 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21)C1CCC1 ZINC001114414223 828691042 /nfs/dbraw/zinc/69/10/42/828691042.db2.gz ORDSLWIKHCKTTM-FOLVSLTJSA-N 1 3 318.425 -0.191 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21)C1CCC1 ZINC001114414223 828691045 /nfs/dbraw/zinc/69/10/45/828691045.db2.gz ORDSLWIKHCKTTM-FOLVSLTJSA-N 1 3 318.425 -0.191 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CCC1 ZINC001114406962 828688866 /nfs/dbraw/zinc/68/88/66/828688866.db2.gz OBSJVIYKAUKXFO-RQJABVFESA-N 1 3 320.437 -0.252 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H]4CCN(C)C4=O)C[C@H]32)CCC1 ZINC001114406962 828688867 /nfs/dbraw/zinc/68/88/67/828688867.db2.gz OBSJVIYKAUKXFO-RQJABVFESA-N 1 3 320.437 -0.252 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001114411866 828690282 /nfs/dbraw/zinc/69/02/82/828690282.db2.gz MBDAXYABNLGVIR-CTASWTNQSA-N 1 3 320.437 -0.204 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)C1CCC1 ZINC001114411866 828690287 /nfs/dbraw/zinc/69/02/87/828690287.db2.gz MBDAXYABNLGVIR-CTASWTNQSA-N 1 3 320.437 -0.204 20 0 DBADHO O=C(N[C@@H]1CN(C[C@H]2CCOC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959162 824842409 /nfs/dbraw/zinc/84/24/09/824842409.db2.gz JJCUKYIFMVHRHI-MCIONIFRSA-N 1 3 309.410 -0.720 20 0 DBADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114488814 828700796 /nfs/dbraw/zinc/70/07/96/828700796.db2.gz UASOBYCVXDJTEB-MQYQWHSLSA-N 1 3 313.442 -0.230 20 0 DBADHO CCN(C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114488814 828700801 /nfs/dbraw/zinc/70/08/01/828700801.db2.gz UASOBYCVXDJTEB-MQYQWHSLSA-N 1 3 313.442 -0.230 20 0 DBADHO NC(=O)CN[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001085200399 825002782 /nfs/dbraw/zinc/00/27/82/825002782.db2.gz HXJWTNRKYGNWHB-MGPQQGTHSA-N 1 3 308.426 -0.170 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21 ZINC001114751281 828737021 /nfs/dbraw/zinc/73/70/21/828737021.db2.gz XHKICPKIONLOLX-NHAGDIPZSA-N 1 3 306.414 -0.334 20 0 DBADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN3CC4CC3(C4)CO2)C1 ZINC001086432602 825256969 /nfs/dbraw/zinc/25/69/69/825256969.db2.gz ZURLZJSKJFOYFW-CCQVXWAESA-N 1 3 323.437 -0.285 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115080810 828784040 /nfs/dbraw/zinc/78/40/40/828784040.db2.gz FQAGBSLVSFBUDJ-ZAZJYDDPSA-N 1 3 322.409 -0.820 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115080810 828784046 /nfs/dbraw/zinc/78/40/46/828784046.db2.gz FQAGBSLVSFBUDJ-ZAZJYDDPSA-N 1 3 322.409 -0.820 20 0 DBADHO CN(C(=O)[C@@H](N)C1CCC2(CC1)OCCO2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161222041 832992143 /nfs/dbraw/zinc/99/21/43/832992143.db2.gz ULGDMTMWIXQFMJ-RFQIPJPRSA-N 1 3 309.410 -0.077 20 0 DBADHO NC(=O)c1ccc(C[C@H](N)C(=O)N2CC[C@](F)(C[NH3+])C2)cc1 ZINC001161246620 832994629 /nfs/dbraw/zinc/99/46/29/832994629.db2.gz NALWMVMAYSJUOF-WFASDCNBSA-N 1 3 308.357 -0.445 20 0 DBADHO COC(=O)[C@H]1CN(C)CCN1C(=O)[C@@H](N)CCCC[NH+](C)C ZINC001161237539 832994774 /nfs/dbraw/zinc/99/47/74/832994774.db2.gz MCGVQAXBCABMAC-QWHCGFSZSA-N 1 3 314.430 -0.639 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CCC(N2CCCOC2=O)CC1 ZINC001161264137 832996717 /nfs/dbraw/zinc/99/67/17/832996717.db2.gz JKNDDGWXCLTWCE-CYBMUJFWSA-N 1 3 322.409 -0.371 20 0 DBADHO C[C@@H](C(N)=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001092937531 826076001 /nfs/dbraw/zinc/07/60/01/826076001.db2.gz VIOBTCIXKONGKW-MBNYWOFBSA-N 1 3 310.442 -0.114 20 0 DBADHO CC(=O)NCCN1CCC2(CCN(CC[NH+](C)C)C2=O)CC1 ZINC001273998823 833002238 /nfs/dbraw/zinc/00/22/38/833002238.db2.gz FWPXIIWDBSOPEZ-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2(C[NH2+]CCCO)CCOCC2)C1 ZINC001274002915 833004344 /nfs/dbraw/zinc/00/43/44/833004344.db2.gz SKXGBDIKLCULDA-CQSZACIVSA-N 1 3 313.442 -0.034 20 0 DBADHO CC[C@@H](C(=O)NC1(C[NH2+]CCCO)CCOCC1)N(C)C ZINC001274002409 833004582 /nfs/dbraw/zinc/00/45/82/833004582.db2.gz LCVUTHCPCSNLJI-ZDUSSCGKSA-N 1 3 301.431 -0.036 20 0 DBADHO N[C@@H](Cc1c[nH]cn1)C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161381794 833011808 /nfs/dbraw/zinc/01/18/08/833011808.db2.gz QBBJYDQZUIQJEH-KGLIPLIRSA-N 1 3 307.398 -0.397 20 0 DBADHO O=C(N1CC(=O)NC2(CCCC2)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161416950 833015051 /nfs/dbraw/zinc/01/50/51/833015051.db2.gz NMMVYOUSJMLMBU-MLGOLLRUSA-N 1 3 306.410 -0.543 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1CNCc1nncn1C ZINC001094219954 826208462 /nfs/dbraw/zinc/20/84/62/826208462.db2.gz XZYWABPPVAGXOV-HZSPNIEDSA-N 1 3 320.441 -0.049 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1CNCc1nncn1C ZINC001094219954 826208468 /nfs/dbraw/zinc/20/84/68/826208468.db2.gz XZYWABPPVAGXOV-HZSPNIEDSA-N 1 3 320.441 -0.049 20 0 DBADHO CCCCOC(=O)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)C1 ZINC001161460661 833021590 /nfs/dbraw/zinc/02/15/90/833021590.db2.gz MQLARZQBKOTADQ-QWHCGFSZSA-N 1 3 309.410 -0.013 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@@H](N)CC(F)F)CC2 ZINC001161479415 833023344 /nfs/dbraw/zinc/02/33/44/833023344.db2.gz KTHLNRZFGCRMFG-RWEMILLDSA-N 1 3 305.325 -0.278 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@H]1CN(C(=O)c1[nH]nc3c1CNC3)CC2 ZINC001161484897 833025027 /nfs/dbraw/zinc/02/50/27/833025027.db2.gz YHUGTEOMXJJVMJ-NHYWBVRUSA-N 1 3 319.365 -0.620 20 0 DBADHO CN1C(=O)CC[C@@H]2CN(C(=O)[C@@H](N)CSCC[NH3+])CC[C@@H]21 ZINC001161484922 833025059 /nfs/dbraw/zinc/02/50/59/833025059.db2.gz YUUSGXAHVFNYBI-WOPDTQHZSA-N 1 3 314.455 -0.525 20 0 DBADHO C[C@@]1(C[NH3+])CCCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001161490330 833025924 /nfs/dbraw/zinc/02/59/24/833025924.db2.gz YTYMZAXLNXUSSD-AAEUAGOBSA-N 1 3 315.439 -0.650 20 0 DBADHO C[C@@H]1CN(C2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C2)C[C@H](C)O1 ZINC001161500688 833028363 /nfs/dbraw/zinc/02/83/63/833028363.db2.gz YEFMMPULQBHEOM-TYNCELHUSA-N 1 3 310.442 -0.367 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCC([NH+](CCO)CCO)CC1)C1CC1 ZINC001098391425 826475016 /nfs/dbraw/zinc/47/50/16/826475016.db2.gz CPYKXNMLZUZNDU-OAHLLOKOSA-N 1 3 313.442 -0.396 20 0 DBADHO CC[C@H](C(=O)N1CCC([N@H+](CCO)C[C@H](C)O)CC1)N(C)C ZINC001098404377 826478348 /nfs/dbraw/zinc/47/83/48/826478348.db2.gz KJVDSJFOIPXECN-DZGCQCFKSA-N 1 3 315.458 -0.007 20 0 DBADHO CC[C@H](C(=O)N1CCC([N@@H+](CCO)C[C@H](C)O)CC1)N(C)C ZINC001098404377 826478353 /nfs/dbraw/zinc/47/83/53/826478353.db2.gz KJVDSJFOIPXECN-DZGCQCFKSA-N 1 3 315.458 -0.007 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH+](CCO)CCO)CC2)C1 ZINC001098478035 826489759 /nfs/dbraw/zinc/48/97/59/826489759.db2.gz SHTZACOCOROAQW-CQSZACIVSA-N 1 3 313.442 -0.394 20 0 DBADHO CCCN(C)CC(=O)N1CCC([N@H+](CCO)CCCO)CC1 ZINC001098540480 826498202 /nfs/dbraw/zinc/49/82/02/826498202.db2.gz OBQCSBFAZLWZOX-UHFFFAOYSA-N 1 3 315.458 -0.004 20 0 DBADHO CCCN(C)CC(=O)N1CCC([N@@H+](CCO)CCCO)CC1 ZINC001098540480 826498204 /nfs/dbraw/zinc/49/82/04/826498204.db2.gz OBQCSBFAZLWZOX-UHFFFAOYSA-N 1 3 315.458 -0.004 20 0 DBADHO CCCN(C)CC(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098540447 826498540 /nfs/dbraw/zinc/49/85/40/826498540.db2.gz MLBXQGAADMIMIQ-UHFFFAOYSA-N 1 3 301.431 -0.394 20 0 DBADHO C[C@@H](O)C[N@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562232 826499145 /nfs/dbraw/zinc/49/91/45/826499145.db2.gz UWYKTKOSLXAMMB-CQSZACIVSA-N 1 3 313.442 -0.252 20 0 DBADHO C[C@@H](O)C[N@@H+](CCO)C1CCN(C(=O)CN2CCCC2)CC1 ZINC001098562232 826499149 /nfs/dbraw/zinc/49/91/49/826499149.db2.gz UWYKTKOSLXAMMB-CQSZACIVSA-N 1 3 313.442 -0.252 20 0 DBADHO C[NH+](C)CCCC(=O)NC/C=C/CN[C@@H]1CCC(=O)NC1=O ZINC001274318384 833060906 /nfs/dbraw/zinc/06/09/06/833060906.db2.gz OLFPRUCPQZRUIS-AAOUONPWSA-N 1 3 310.398 -0.605 20 0 DBADHO C[NH+]1CCC(C(=O)NC/C=C\CN[C@H]2CCCNC2=O)CC1 ZINC001274330877 833064347 /nfs/dbraw/zinc/06/43/47/833064347.db2.gz HAXCONOIAAORPQ-SFAKSCPVSA-N 1 3 308.426 -0.131 20 0 DBADHO CNC(=O)CN1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC[NH+](C)C ZINC001099529400 826569176 /nfs/dbraw/zinc/56/91/76/826569176.db2.gz PJPAMNLIUVNNBP-XGUBFFRZSA-N 1 3 322.453 -0.147 20 0 DBADHO CS(=O)(=O)N(CC[NH3+])c1cnccc1N1CCOCC1 ZINC001162128320 833076563 /nfs/dbraw/zinc/07/65/63/833076563.db2.gz BLPLXKCGLYBENJ-UHFFFAOYSA-N 1 3 300.384 -0.357 20 0 DBADHO CN(CC(=O)N1CCC(O)(C[NH2+]CCCO)CC1)C1CCC1 ZINC001274529188 833090737 /nfs/dbraw/zinc/09/07/37/833090737.db2.gz WNTLTINISDKSEV-UHFFFAOYSA-N 1 3 313.442 -0.204 20 0 DBADHO Cn1nccc1CCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986943 826760291 /nfs/dbraw/zinc/76/02/91/826760291.db2.gz RKSRALACHQWBRB-LSDHHAIUSA-N 1 3 323.441 -0.534 20 0 DBADHO CC(C)OCCN1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989266 826762258 /nfs/dbraw/zinc/76/22/58/826762258.db2.gz PWCKXGKTDSZJNN-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO CCOC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274566282 833101391 /nfs/dbraw/zinc/10/13/91/833101391.db2.gz NXRQWWRLKMJRFK-GDBMZVCRSA-N 1 3 313.442 -0.130 20 0 DBADHO CCOC[C@H](O)C[N@H+]1CC[C@@]2(CCN(CCN(C)C)C2=O)C1 ZINC001274566282 833101392 /nfs/dbraw/zinc/10/13/92/833101392.db2.gz NXRQWWRLKMJRFK-GDBMZVCRSA-N 1 3 313.442 -0.130 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100073256 826824347 /nfs/dbraw/zinc/82/43/47/826824347.db2.gz AXUHPOCRNDBOSK-UONOGXRCSA-N 1 3 311.426 -0.330 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074935 826827105 /nfs/dbraw/zinc/82/71/05/826827105.db2.gz VQZYWUAQUWYCMG-KBPBESRZSA-N 1 3 317.430 -0.848 20 0 DBADHO CCOCCN1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074937 826827378 /nfs/dbraw/zinc/82/73/78/826827378.db2.gz VQZYWUAQUWYCMG-UONOGXRCSA-N 1 3 317.430 -0.848 20 0 DBADHO C[NH+](C)CCOCC(=O)N[C@H]1CCN(CCCF)C[C@H]1O ZINC001100077163 826829636 /nfs/dbraw/zinc/82/96/36/826829636.db2.gz YEGHVPGQWRXBIM-QWHCGFSZSA-N 1 3 305.394 -0.524 20 0 DBADHO O=C(CC[NH+]1CCCCC1)N[C@@H]1CCN(CCCO)C[C@@H]1O ZINC001100127786 826879913 /nfs/dbraw/zinc/87/99/13/826879913.db2.gz YVCHVKWKEMKPIF-CABCVRRESA-N 1 3 313.442 -0.204 20 0 DBADHO CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872428 833121943 /nfs/dbraw/zinc/12/19/43/833121943.db2.gz RFXMEKXSUCCOOF-UYJPIKCFSA-N 1 3 324.425 -0.918 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001274753141 833125073 /nfs/dbraw/zinc/12/50/73/833125073.db2.gz MXGVCGAZBBPXHK-DGCLKSJQSA-N 1 3 317.455 -0.533 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100675946 826999555 /nfs/dbraw/zinc/99/95/55/826999555.db2.gz DLUTZZPVVGSXLQ-NFOMZHRRSA-N 1 3 313.442 -0.036 20 0 DBADHO CCCN(C)CC(=O)NCC1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001100901779 827041235 /nfs/dbraw/zinc/04/12/35/827041235.db2.gz OCMBXAZRPMBXBT-UHFFFAOYSA-N 1 3 319.471 -0.143 20 0 DBADHO COCOCCCN1C[C@@H]2COC[C@H](C1)N2CC[NH+](C)C ZINC001274934805 833141240 /nfs/dbraw/zinc/14/12/40/833141240.db2.gz HEGUVICMDWNLNR-GASCZTMLSA-N 1 3 301.431 -0.056 20 0 DBADHO CC[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001275085258 833149991 /nfs/dbraw/zinc/14/99/91/833149991.db2.gz RCEUQJCGDNPYLH-STQMWFEESA-N 1 3 308.426 -0.393 20 0 DBADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CC(=O)N(C)C)C[C@H]2CC1 ZINC001275199415 833159120 /nfs/dbraw/zinc/15/91/20/833159120.db2.gz LPMIWIZCEVIIPC-OKILXGFUSA-N 1 3 310.442 -0.193 20 0 DBADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CC(=O)N(C)C)C[C@H]2CC1 ZINC001275199415 833159124 /nfs/dbraw/zinc/15/91/24/833159124.db2.gz LPMIWIZCEVIIPC-OKILXGFUSA-N 1 3 310.442 -0.193 20 0 DBADHO C[C@@H]1CN([C@@H]2CCN(C)C2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102320542 827197922 /nfs/dbraw/zinc/19/79/22/827197922.db2.gz HNEALYCWNLIZIH-MGPQQGTHSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1CN([C@H]2CCC(=O)NC2=O)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102319034 827198183 /nfs/dbraw/zinc/19/81/83/827198183.db2.gz WAZVQIGAXPXIJD-UPJWGTAASA-N 1 3 324.425 -0.573 20 0 DBADHO CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102781968 827247065 /nfs/dbraw/zinc/24/70/65/827247065.db2.gz FKRHIZANCVZTNP-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)[C@H]2CCCN2C)C1 ZINC001102781968 827247075 /nfs/dbraw/zinc/24/70/75/827247075.db2.gz FKRHIZANCVZTNP-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(CC(N)=O)C[C@H]1CCNC(=O)C1CC[NH+](C)CC1 ZINC001103395849 827284939 /nfs/dbraw/zinc/28/49/39/827284939.db2.gz PAZQJTOSHOOXEJ-TZMCWYRMSA-N 1 3 310.442 -0.112 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001275417122 833177204 /nfs/dbraw/zinc/17/72/04/833177204.db2.gz BBRKPUQUFDMIGF-QWHCGFSZSA-N 1 3 313.446 -0.308 20 0 DBADHO CN(c1nc(Cl)nc2c1CC[NH2+]CC2)S(=O)(=O)CCN ZINC001164287365 833200461 /nfs/dbraw/zinc/20/04/61/833200461.db2.gz PCWGHXOCVHEFHX-UHFFFAOYSA-N 1 3 319.818 -0.457 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1CNCc1nncn1C ZINC001106622509 827665842 /nfs/dbraw/zinc/66/58/42/827665842.db2.gz BTKOLSURBTUXBG-CHWSQXEVSA-N 1 3 308.430 -0.049 20 0 DBADHO c1nc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc2c1CNCC2 ZINC001165344814 833242296 /nfs/dbraw/zinc/24/22/96/833242296.db2.gz TZOHFPMLGJSLQD-MRXNPFEDSA-N 1 3 319.409 -0.292 20 0 DBADHO C[NH+](C)CCCC(=O)NCCCNCC(=O)Nc1cnccn1 ZINC001165366896 833243746 /nfs/dbraw/zinc/24/37/46/833243746.db2.gz GCDZCRCTFFWJKT-UHFFFAOYSA-N 1 3 322.413 -0.147 20 0 DBADHO CC(C)[C@H](C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O)N(C)C ZINC001166010955 833263399 /nfs/dbraw/zinc/26/33/99/833263399.db2.gz XLGJWCGCJDMJSF-DGCLKSJQSA-N 1 3 312.414 -0.526 20 0 DBADHO CC1(C)CCN(CC(=O)NCCC[NH2+]CCOCCO)C1 ZINC001166736743 833280072 /nfs/dbraw/zinc/28/00/72/833280072.db2.gz SIUVHDZQTYIBJF-UHFFFAOYSA-N 1 3 301.431 -0.177 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001166626672 833276555 /nfs/dbraw/zinc/27/65/55/833276555.db2.gz IXENKFDAJMGRGF-VXGBXAGGSA-N 1 3 310.398 -0.628 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001166644362 833276973 /nfs/dbraw/zinc/27/69/73/833276973.db2.gz APNHWJWUQFSCQY-CABCVRRESA-N 1 3 323.441 -0.176 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CCNC(=O)C2CC2)C1 ZINC001166677535 833277522 /nfs/dbraw/zinc/27/75/22/833277522.db2.gz JNCOINSAHDYRPJ-CYBMUJFWSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H]1CCN(CC(=O)NCCC[NH2+]CCN2C(=O)CCC2=O)C1 ZINC001166677360 833277546 /nfs/dbraw/zinc/27/75/46/833277546.db2.gz IANYWNHDBUKXRY-ZDUSSCGKSA-N 1 3 324.425 -0.427 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166687345 833277651 /nfs/dbraw/zinc/27/76/51/833277651.db2.gz OGQMXDHOVJWMFW-AWEZNQCLSA-N 1 3 302.394 -0.220 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001166676836 833277669 /nfs/dbraw/zinc/27/76/69/833277669.db2.gz CYZZTXRFLFDLRM-VXGBXAGGSA-N 1 3 310.398 -0.771 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1ccon1 ZINC001166691767 833278166 /nfs/dbraw/zinc/27/81/66/833278166.db2.gz MQGSHFQRNJMJHM-NEPJUHHUSA-N 1 3 323.397 -0.093 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCCNCC(=O)Nc1ccon1 ZINC001166691767 833278168 /nfs/dbraw/zinc/27/81/68/833278168.db2.gz MQGSHFQRNJMJHM-NEPJUHHUSA-N 1 3 323.397 -0.093 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769050 828045048 /nfs/dbraw/zinc/04/50/48/828045048.db2.gz KFKLEESESRYDMA-LOWVWBTDSA-N 1 3 305.382 -0.333 20 0 DBADHO CNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH]cn1)C2 ZINC001108769049 828046090 /nfs/dbraw/zinc/04/60/90/828046090.db2.gz KFKLEESESRYDMA-GVXVVHGQSA-N 1 3 305.382 -0.333 20 0 DBADHO COC[C@@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281397 828252687 /nfs/dbraw/zinc/25/26/87/828252687.db2.gz QBDWHOUQUSIELD-BARDWOONSA-N 1 3 323.437 -0.189 20 0 DBADHO COC[C@H](O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111281398 828252738 /nfs/dbraw/zinc/25/27/38/828252738.db2.gz QBDWHOUQUSIELD-TUVASFSCSA-N 1 3 323.437 -0.189 20 0 DBADHO CN1CCN(C(=N)Nc2nccc(N3CC[NH2+]CC3)n2)CC1 ZINC001168736107 833327505 /nfs/dbraw/zinc/32/75/05/833327505.db2.gz JPCWTEWKJHKCBF-UHFFFAOYSA-N 1 3 304.402 -0.520 20 0 DBADHO CN1[C@@H]2CC[C@H]1C[C@@H]([NH2+]CCN1CCS(=O)(=O)CC1)C2 ZINC001169113932 833334955 /nfs/dbraw/zinc/33/49/55/833334955.db2.gz VHXMOWRCTCZIDB-BTTYYORXSA-N 1 3 301.456 -0.068 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCOCC1 ZINC001117036393 828933877 /nfs/dbraw/zinc/93/38/77/828933877.db2.gz RNHIEZQDNWGGNU-UHFFFAOYSA-N 1 3 314.430 -0.767 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)C[C@@H]21 ZINC001117911100 829020761 /nfs/dbraw/zinc/02/07/61/829020761.db2.gz FACWLWSINSYRNP-ILXRZTDVSA-N 1 3 320.437 -0.154 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[N@H+]4CCC[C@H]4C3)C[C@@H]21 ZINC001117911100 829020771 /nfs/dbraw/zinc/02/07/71/829020771.db2.gz FACWLWSINSYRNP-ILXRZTDVSA-N 1 3 320.437 -0.154 20 0 DBADHO CC[NH+]1CCN(CCCNC(=O)[C@@H](NC)c2cnn(C)c2)CC1 ZINC001118216416 829051867 /nfs/dbraw/zinc/05/18/67/829051867.db2.gz JIURMTJSBVGVAC-HNNXBMFYSA-N 1 3 322.457 -0.176 20 0 DBADHO COCCNCC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001118270061 829060287 /nfs/dbraw/zinc/06/02/87/829060287.db2.gz UGMIRNMFYTWPLR-UHFFFAOYSA-N 1 3 312.458 -0.292 20 0 DBADHO CC(C)[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)N1CCN(C)CC1 ZINC001118277761 829061364 /nfs/dbraw/zinc/06/13/64/829061364.db2.gz MDZIEHXGUFMFEK-GJZGRUSLSA-N 1 3 313.490 -0.346 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001171770681 833374588 /nfs/dbraw/zinc/37/45/88/833374588.db2.gz XISACUPHEPIACB-CQSZACIVSA-N 1 3 311.430 -0.318 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001171762804 833374632 /nfs/dbraw/zinc/37/46/32/833374632.db2.gz LWAIDSXZRCZKFZ-AWEZNQCLSA-N 1 3 319.446 -0.552 20 0 DBADHO O=C(CNCCCNC(=O)C12CC[NH+](CC1)C2)Nc1ccon1 ZINC001171303259 833368710 /nfs/dbraw/zinc/36/87/10/833368710.db2.gz CJILPFZXDDLVGX-UHFFFAOYSA-N 1 3 321.381 -0.195 20 0 DBADHO CN(C)c1ccncc1C(=O)NCCC[NH2+]Cc1nnnn1C ZINC001171353754 833368994 /nfs/dbraw/zinc/36/89/94/833368994.db2.gz BGSRASJDDIJKTA-UHFFFAOYSA-N 1 3 318.385 -0.419 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]CC(=O)NCCOCC ZINC001171757018 833374282 /nfs/dbraw/zinc/37/42/82/833374282.db2.gz FEOHMBQZMFCOAK-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@]4(C3)CCCC[NH2+]4)C[C@@H]21 ZINC001119635992 829285826 /nfs/dbraw/zinc/28/58/26/829285826.db2.gz HUPKBQBYNCHWIC-KEYYUXOJSA-N 1 3 320.437 -0.107 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@H](CF)C1 ZINC001120440383 829373204 /nfs/dbraw/zinc/37/32/04/829373204.db2.gz YDSZVBTYEQWKQO-CYBMUJFWSA-N 1 3 316.421 -0.244 20 0 DBADHO C[C@@H](CN1CCOCC1)C(=O)NCCC[NH2+]Cc1cnn(C)n1 ZINC001176161999 833401577 /nfs/dbraw/zinc/40/15/77/833401577.db2.gz SMOSJIHHQWMLDC-ZDUSSCGKSA-N 1 3 324.429 -0.621 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)CCC[NH2+]CCS(C)(=O)=O)C1 ZINC001276227449 833413394 /nfs/dbraw/zinc/41/33/94/833413394.db2.gz SVUDQQMBKGWDAV-ZDUSSCGKSA-N 1 3 319.471 -0.189 20 0 DBADHO CCN(CC)CCCNC(=O)[C@]12C[NH2+]C[C@H]1CS(=O)(=O)C2 ZINC001121973785 829534163 /nfs/dbraw/zinc/53/41/63/829534163.db2.gz AQGSCYPVCISGRC-JSGCOSHPSA-N 1 3 317.455 -0.531 20 0 DBADHO CC(C)N(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O ZINC001176986796 833444732 /nfs/dbraw/zinc/44/47/32/833444732.db2.gz VZTLXZLEVVWALW-SNVBAGLBSA-N 1 3 301.391 -0.994 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCCC[NH2+]CCOCCO ZINC001176986891 833444906 /nfs/dbraw/zinc/44/49/06/833444906.db2.gz XUTMYQISYQRQOZ-AWEZNQCLSA-N 1 3 301.431 -0.034 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C)N(C)C ZINC001179553919 833550515 /nfs/dbraw/zinc/55/05/15/833550515.db2.gz FTKQUWVVNGEURM-XUXIUFHCSA-N 1 3 301.431 -0.087 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001176985977 833445051 /nfs/dbraw/zinc/44/50/51/833445051.db2.gz AIGJYDRJKTZYHX-CHWSQXEVSA-N 1 3 324.425 -0.238 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001127066044 829980828 /nfs/dbraw/zinc/98/08/28/829980828.db2.gz IDXBACRNCKSDRL-RYUDHWBXSA-N 1 3 310.398 -0.630 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@H]1CCC(=O)NC1=O ZINC001127066044 829980831 /nfs/dbraw/zinc/98/08/31/829980831.db2.gz IDXBACRNCKSDRL-RYUDHWBXSA-N 1 3 310.398 -0.630 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001127065777 829981405 /nfs/dbraw/zinc/98/14/05/829981405.db2.gz FHGKMEZXBROCHL-LLVKDONJSA-N 1 3 313.402 -0.979 20 0 DBADHO CNC(=O)NC(=O)CNCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065777 829981410 /nfs/dbraw/zinc/98/14/10/829981410.db2.gz FHGKMEZXBROCHL-LLVKDONJSA-N 1 3 313.402 -0.979 20 0 DBADHO CCCCNC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127475399 830014264 /nfs/dbraw/zinc/01/42/64/830014264.db2.gz UZMUCTMYCYMXLM-AWEZNQCLSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@@H](NCCNC(=O)c1ccn(CC[NH+](C)C)n1)C(=O)N(C)C ZINC001127562289 830017654 /nfs/dbraw/zinc/01/76/54/830017654.db2.gz FXFLQNHVPDXMPB-GFCCVEGCSA-N 1 3 324.429 -0.759 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575782 830018948 /nfs/dbraw/zinc/01/89/48/830018948.db2.gz BKLIVETYMNCTLR-UHFFFAOYSA-N 1 3 324.429 -0.758 20 0 DBADHO CN(C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127766364 830027866 /nfs/dbraw/zinc/02/78/66/830027866.db2.gz VLLPXBCLACWCRC-UONOGXRCSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC001127766364 830027871 /nfs/dbraw/zinc/02/78/71/830027871.db2.gz VLLPXBCLACWCRC-UONOGXRCSA-N 1 3 324.425 -0.824 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780166 830031109 /nfs/dbraw/zinc/03/11/09/830031109.db2.gz WJONRZNWNMWEMR-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780166 830031112 /nfs/dbraw/zinc/03/11/12/830031112.db2.gz WJONRZNWNMWEMR-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780253 830032112 /nfs/dbraw/zinc/03/21/12/830032112.db2.gz XTWNHQWSNXZXGQ-ZIAGYGMSSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001127780253 830032115 /nfs/dbraw/zinc/03/21/15/830032115.db2.gz XTWNHQWSNXZXGQ-ZIAGYGMSSA-N 1 3 307.398 -0.511 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001128533868 830096037 /nfs/dbraw/zinc/09/60/37/830096037.db2.gz RZWZCSSZFFGURK-CHWSQXEVSA-N 1 3 316.421 -0.007 20 0 DBADHO CC(C)C[N@@H+]1CC[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001129326932 830172682 /nfs/dbraw/zinc/17/26/82/830172682.db2.gz CWIBJHGNIDMBGE-STQMWFEESA-N 1 3 324.425 -0.525 20 0 DBADHO CC(C)C[N@H+]1CC[C@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)C1 ZINC001129326932 830172685 /nfs/dbraw/zinc/17/26/85/830172685.db2.gz CWIBJHGNIDMBGE-STQMWFEESA-N 1 3 324.425 -0.525 20 0 DBADHO CN(C)C1(C(=O)NCC[NH2+]CCN2C(=O)CCC2=O)CCC1 ZINC001129364377 830175449 /nfs/dbraw/zinc/17/54/49/830175449.db2.gz UXPNDICZOCZRHA-UHFFFAOYSA-N 1 3 310.398 -0.675 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC001129449928 830182164 /nfs/dbraw/zinc/18/21/64/830182164.db2.gz SHIRZGYRXUSROL-IAQYHMDHSA-N 1 3 310.442 -0.053 20 0 DBADHO CN(CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)C1CCC1 ZINC001129532233 830187131 /nfs/dbraw/zinc/18/71/31/830187131.db2.gz WFJXNSQNDJJZND-ZDUSSCGKSA-N 1 3 306.414 -0.045 20 0 DBADHO CN(CC(=O)NCC[NH2+]CCN(C)S(C)(=O)=O)C1CCC1 ZINC001129531754 830187352 /nfs/dbraw/zinc/18/73/52/830187352.db2.gz IWTWILOPGNMLPF-UHFFFAOYSA-N 1 3 320.459 -0.932 20 0 DBADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001129855545 830218803 /nfs/dbraw/zinc/21/88/03/830218803.db2.gz HHZFDLIUGUFYBF-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H](NCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001129855545 830218807 /nfs/dbraw/zinc/21/88/07/830218807.db2.gz HHZFDLIUGUFYBF-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(=O)NC(N)=O ZINC001129855543 830219073 /nfs/dbraw/zinc/21/90/73/830219073.db2.gz HHZFDLIUGUFYBF-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](NCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(=O)NC(N)=O ZINC001129855543 830219079 /nfs/dbraw/zinc/21/90/79/830219079.db2.gz HHZFDLIUGUFYBF-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)[C@@H](C(=O)NCC[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001129950564 830232710 /nfs/dbraw/zinc/23/27/10/830232710.db2.gz WLMIWVQPZVRZMP-AWEZNQCLSA-N 1 3 312.414 -0.573 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]C[C@@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130136968 830268991 /nfs/dbraw/zinc/26/89/91/830268991.db2.gz BTKKLSMSDQHUIE-MCIONIFRSA-N 1 3 324.429 -0.659 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]CCOCCNC(C)=O ZINC001130425275 830320498 /nfs/dbraw/zinc/32/04/98/830320498.db2.gz RGXBFGBWUXTVDJ-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO CN1CCC[C@H](NCCNC(=O)C23CCC[NH+]2CCC3)C1=O ZINC001130808938 830387516 /nfs/dbraw/zinc/38/75/16/830387516.db2.gz YIKYCHRWEQYEJH-ZDUSSCGKSA-N 1 3 308.426 -0.059 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519958 830478850 /nfs/dbraw/zinc/47/88/50/830478850.db2.gz PBXYSGIDUKECFC-MFOWVQHXSA-N 1 3 324.425 -0.966 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519958 830478852 /nfs/dbraw/zinc/47/88/52/830478852.db2.gz PBXYSGIDUKECFC-MFOWVQHXSA-N 1 3 324.425 -0.966 20 0 DBADHO COCCCC[NH2+]CCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131522176 830480658 /nfs/dbraw/zinc/48/06/58/830480658.db2.gz VNXHYFUQRXMCCU-BBBYJDLNSA-N 1 3 311.426 -0.018 20 0 DBADHO O=C(CNCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)NC1CC1 ZINC001131790531 830529669 /nfs/dbraw/zinc/52/96/69/830529669.db2.gz OYPWVMNVEJUUSS-HNNXBMFYSA-N 1 3 308.426 -0.155 20 0 DBADHO O=C(NCCN[C@H]1CCC(=O)NC1=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001131790999 830531422 /nfs/dbraw/zinc/53/14/22/830531422.db2.gz YNPUCLDWLMPJFX-GXTWGEPZSA-N 1 3 322.409 -0.628 20 0 DBADHO C[NH+](C)C1(CC(=O)NCCN[C@@H]2CCC(=O)NC2=O)CCCC1 ZINC001131840554 830542161 /nfs/dbraw/zinc/54/21/61/830542161.db2.gz OBCQRXRDROJEOT-GFCCVEGCSA-N 1 3 324.425 -0.238 20 0 DBADHO CCC[N@@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001132738190 830688904 /nfs/dbraw/zinc/68/89/04/830688904.db2.gz WNDYXPCJQMFDDJ-LLVKDONJSA-N 1 3 313.402 -0.991 20 0 DBADHO CCC[N@H+]1CCC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001132738190 830688908 /nfs/dbraw/zinc/68/89/08/830688908.db2.gz WNDYXPCJQMFDDJ-LLVKDONJSA-N 1 3 313.402 -0.991 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001132893403 830711107 /nfs/dbraw/zinc/71/11/07/830711107.db2.gz PCKJCUDHYGRZRG-DCAQKATOSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001132893403 830711109 /nfs/dbraw/zinc/71/11/09/830711109.db2.gz PCKJCUDHYGRZRG-DCAQKATOSA-N 1 3 313.402 -0.994 20 0 DBADHO C[NH+](C)CCCC(=O)NCCNCC(=O)NCc1cccnc1 ZINC001133040148 830736670 /nfs/dbraw/zinc/73/66/70/830736670.db2.gz CVUBPYOKQUEHCX-UHFFFAOYSA-N 1 3 321.425 -0.255 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133288478 830763117 /nfs/dbraw/zinc/76/31/17/830763117.db2.gz XRSSXDMQQXGHGF-UHFFFAOYSA-N 1 3 314.430 -0.813 20 0 DBADHO C[C@H](NCCNC(=O)CC[NH+](C)C)C(=O)NCc1ccco1 ZINC001133291015 830764380 /nfs/dbraw/zinc/76/43/80/830764380.db2.gz HUNLKYZLLCSYBT-LBPRGKRZSA-N 1 3 310.398 -0.058 20 0 DBADHO C[NH+](C)CCC(=O)NCCNCC(=O)NCc1ccccc1 ZINC001133294807 830764519 /nfs/dbraw/zinc/76/45/19/830764519.db2.gz VFRHUSXDGUTWTK-UHFFFAOYSA-N 1 3 306.410 -0.040 20 0 DBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133833785 830832930 /nfs/dbraw/zinc/83/29/30/830832930.db2.gz GKMDQNVXWJWMCM-NSHDSACASA-N 1 3 313.402 -0.978 20 0 DBADHO CCNC(=O)NC(=O)CNCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133833785 830832938 /nfs/dbraw/zinc/83/29/38/830832938.db2.gz GKMDQNVXWJWMCM-NSHDSACASA-N 1 3 313.402 -0.978 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)CN1CCC[C@H]1C)CS(C)(=O)=O ZINC001133833702 830833518 /nfs/dbraw/zinc/83/35/18/830833518.db2.gz CSCQOUOYCNIXSK-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@H]2CCNC(=O)CC2)C1 ZINC001133846148 830837825 /nfs/dbraw/zinc/83/78/25/830837825.db2.gz UXJVUAYKQXDDCX-UONOGXRCSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCNC(=O)CC2)C1 ZINC001133846146 830838533 /nfs/dbraw/zinc/83/85/33/830838533.db2.gz UXJVUAYKQXDDCX-KBPBESRZSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H](NCCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C(N)=O ZINC001133856404 830838725 /nfs/dbraw/zinc/83/87/25/830838725.db2.gz DSCPVHFQZBROJT-HZMBPMFUSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@H](NCCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1)C(N)=O ZINC001133856404 830838734 /nfs/dbraw/zinc/83/87/34/830838734.db2.gz DSCPVHFQZBROJT-HZMBPMFUSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001133866174 830842241 /nfs/dbraw/zinc/84/22/41/830842241.db2.gz JSEYEGFGPICFOI-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCCNCC(=O)N1CCCCC1 ZINC001133866174 830842246 /nfs/dbraw/zinc/84/22/46/830842246.db2.gz JSEYEGFGPICFOI-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869668 830844254 /nfs/dbraw/zinc/84/42/54/830844254.db2.gz ISBDHBIPVAPZCK-QWHCGFSZSA-N 1 3 314.430 -0.957 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133869668 830844260 /nfs/dbraw/zinc/84/42/60/830844260.db2.gz ISBDHBIPVAPZCK-QWHCGFSZSA-N 1 3 314.430 -0.957 20 0 DBADHO C[C@H](NCCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(N)=O ZINC001133890466 830849614 /nfs/dbraw/zinc/84/96/14/830849614.db2.gz RWQNCKYAFJCTKO-LBPRGKRZSA-N 1 3 306.410 -0.016 20 0 DBADHO C[C@@H](NCCNC(=O)c1ccc(CC[NH+](C)C)cc1)C(N)=O ZINC001133890465 830849774 /nfs/dbraw/zinc/84/97/74/830849774.db2.gz RWQNCKYAFJCTKO-GFCCVEGCSA-N 1 3 306.410 -0.016 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O)N(C)C ZINC001133965593 830866267 /nfs/dbraw/zinc/86/62/67/830866267.db2.gz AJFPDZAYAAIDLH-NEPJUHHUSA-N 1 3 307.460 -0.287 20 0 DBADHO CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)N(C)C ZINC001133983033 830870089 /nfs/dbraw/zinc/87/00/89/830870089.db2.gz VWBRIZSHFZGJNR-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](COCC(=O)NCCN[C@H]1CCNC1=O)[NH+]1CCCC1 ZINC001134058603 830885221 /nfs/dbraw/zinc/88/52/21/830885221.db2.gz VLSYJIZJCYGXBP-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO C[N@@H+]1C[C@H](C(=O)NCCNCC(N)=O)[C@@H](c2ccccc2)C1 ZINC001134126252 830894265 /nfs/dbraw/zinc/89/42/65/830894265.db2.gz HSLIOUJLBHRTSY-KGLIPLIRSA-N 1 3 304.394 -0.477 20 0 DBADHO C[N@H+]1C[C@H](C(=O)NCCNCC(N)=O)[C@@H](c2ccccc2)C1 ZINC001134126252 830894274 /nfs/dbraw/zinc/89/42/74/830894274.db2.gz HSLIOUJLBHRTSY-KGLIPLIRSA-N 1 3 304.394 -0.477 20 0 DBADHO C[C@@H](C(=O)NCCN[C@@H]1CCC(=O)NC1=O)[NH+]1CCCCCC1 ZINC001134756677 830974311 /nfs/dbraw/zinc/97/43/11/830974311.db2.gz IVNUITJTBYFPBW-QWHCGFSZSA-N 1 3 324.425 -0.238 20 0 DBADHO COC[C@@H](O)C[NH2+]CCNC(=O)[C@H]1CCCCN1C(C)C ZINC001134763179 830975543 /nfs/dbraw/zinc/97/55/43/830975543.db2.gz OTRIFBDLKBCFLC-UONOGXRCSA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@@H](NCCNC(=O)c1cnn(CC[NH+](C)C)c1)C(=O)N(C)C ZINC001135118147 831012809 /nfs/dbraw/zinc/01/28/09/831012809.db2.gz HKVYQHWGKBKSHZ-GFCCVEGCSA-N 1 3 324.429 -0.759 20 0 DBADHO C[NH+](C)Cc1ccc(C(=O)NCCNCC(=O)NC(N)=O)cc1 ZINC001135336803 831052791 /nfs/dbraw/zinc/05/27/91/831052791.db2.gz KTMBGAVXISSJCB-UHFFFAOYSA-N 1 3 321.381 -0.738 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CCCNS(=O)(=O)CC ZINC001135511202 831078826 /nfs/dbraw/zinc/07/88/26/831078826.db2.gz LVOVVLDPWHRIEE-UHFFFAOYSA-N 1 3 322.475 -0.637 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CCCS(=O)(=O)CC ZINC001135512899 831080192 /nfs/dbraw/zinc/08/01/92/831080192.db2.gz AZQFJMLJCLXMBF-UHFFFAOYSA-N 1 3 307.460 -0.141 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC001135511637 831081180 /nfs/dbraw/zinc/08/11/80/831081180.db2.gz WNDCXEHTPKLOGL-ZIAGYGMSSA-N 1 3 319.446 -0.554 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001185401876 833794632 /nfs/dbraw/zinc/79/46/32/833794632.db2.gz XUMWAKIHCUJWIA-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC1 ZINC001146383112 831278834 /nfs/dbraw/zinc/27/88/34/831278834.db2.gz CPMNMYINJUNOSJ-CYBMUJFWSA-N 1 3 324.425 -0.382 20 0 DBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC[N@H+](C)CC ZINC001146718704 831292536 /nfs/dbraw/zinc/29/25/36/831292536.db2.gz FWDCPBRJOBCVDM-UHFFFAOYSA-N 1 3 315.418 -0.730 20 0 DBADHO CCCNC(=O)NC(=O)CNCCNC(=O)CC[N@@H+](C)CC ZINC001146718704 831292542 /nfs/dbraw/zinc/29/25/42/831292542.db2.gz FWDCPBRJOBCVDM-UHFFFAOYSA-N 1 3 315.418 -0.730 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCCCOC ZINC001146710255 831292716 /nfs/dbraw/zinc/29/27/16/831292716.db2.gz IIOIUVKFMPJCRM-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCN[C@@H](C)C(=O)NCCCOC ZINC001146710255 831292722 /nfs/dbraw/zinc/29/27/22/831292722.db2.gz IIOIUVKFMPJCRM-ZDUSSCGKSA-N 1 3 316.446 -0.425 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)CC1 ZINC001185400761 833794402 /nfs/dbraw/zinc/79/44/02/833794402.db2.gz IGPYXDPYINSSRS-CQSZACIVSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)C(=O)CN1CCO[C@H]2CN(CC3CC[NH+](C)CC3)C[C@H]21 ZINC001276696184 833450448 /nfs/dbraw/zinc/45/04/48/833450448.db2.gz MIOADYHFAXOSEY-CVEARBPZSA-N 1 3 324.469 -0.199 20 0 DBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@H+](C[C@H](O)COC)C2)N(C)C ZINC001147772700 831407150 /nfs/dbraw/zinc/40/71/50/831407150.db2.gz AILJLHJFTKOWDI-UONOGXRCSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)COC)C2)N(C)C ZINC001147772700 831407153 /nfs/dbraw/zinc/40/71/53/831407153.db2.gz AILJLHJFTKOWDI-UONOGXRCSA-N 1 3 313.442 -0.132 20 0 DBADHO C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)C1 ZINC001147824561 831409706 /nfs/dbraw/zinc/40/97/06/831409706.db2.gz LPLHMLANGLUMFN-GHMZBOCLSA-N 1 3 313.402 -0.993 20 0 DBADHO CN(C)c1cc(CNCCNC(=O)COCC[NH+](C)C)ccn1 ZINC001147842285 831411178 /nfs/dbraw/zinc/41/11/78/831411178.db2.gz PNOOSJRANMFPFX-UHFFFAOYSA-N 1 3 323.441 -0.068 20 0 DBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC(C)(C)C ZINC001147842339 831411273 /nfs/dbraw/zinc/41/12/73/831411273.db2.gz SQEWRKKPQSNYMW-UHFFFAOYSA-N 1 3 302.419 -0.815 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147877205 831414236 /nfs/dbraw/zinc/41/42/36/831414236.db2.gz GPHQRYPSAOYXKZ-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147877205 831414241 /nfs/dbraw/zinc/41/42/41/831414241.db2.gz GPHQRYPSAOYXKZ-CQSZACIVSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C)N(C)C(=O)[C@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893397 831415767 /nfs/dbraw/zinc/41/57/67/831415767.db2.gz PEDADQVACQXZHN-ZDUSSCGKSA-N 1 3 316.446 -0.474 20 0 DBADHO O=C(CNCCNC(=O)C12CC[NH+](CC1)C2)NCC(F)(F)F ZINC001147970649 831420261 /nfs/dbraw/zinc/42/02/61/831420261.db2.gz NTBIQEDTKDSEFU-UHFFFAOYSA-N 1 3 322.331 -0.534 20 0 DBADHO C[C@H]1CN(C(=O)CNCCNC(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001147994577 831421190 /nfs/dbraw/zinc/42/11/90/831421190.db2.gz KMRJIXRHQVVZBM-ZDUSSCGKSA-N 1 3 324.425 -0.965 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148359967 831447729 /nfs/dbraw/zinc/44/77/29/831447729.db2.gz IBKWQRLXBQXUHD-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001148571157 831463762 /nfs/dbraw/zinc/46/37/62/831463762.db2.gz YINSFNXZWYBFPN-UHFFFAOYSA-N 1 3 322.475 -0.685 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCNCCN(C)S(C)(=O)=O ZINC001148571157 831463769 /nfs/dbraw/zinc/46/37/69/831463769.db2.gz YINSFNXZWYBFPN-UHFFFAOYSA-N 1 3 322.475 -0.685 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001148638698 831467092 /nfs/dbraw/zinc/46/70/92/831467092.db2.gz NXJMSBOEOJPYRH-UHFFFAOYSA-N 1 3 319.471 -0.141 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC001148638784 831467120 /nfs/dbraw/zinc/46/71/20/831467120.db2.gz RLDXCASSDNKRNO-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001148638809 831467239 /nfs/dbraw/zinc/46/72/39/831467239.db2.gz SRGGZXJRWWLIGP-ZDUSSCGKSA-N 1 3 319.471 -0.141 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001148643260 831467726 /nfs/dbraw/zinc/46/77/26/831467726.db2.gz WVZXCGRLSIMWOK-ZDUSSCGKSA-N 1 3 305.419 -0.942 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001149123179 831497627 /nfs/dbraw/zinc/49/76/27/831497627.db2.gz IJPFGVMJYDPVLZ-NSHDSACASA-N 1 3 303.370 -0.255 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@H]1CN(CCO)CCCO1)[NH+](C)C ZINC001149881602 831578038 /nfs/dbraw/zinc/57/80/38/831578038.db2.gz PHGPIKDTSCQHTC-KGLIPLIRSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@H+](CCCO)CCCO2)C1 ZINC001150326389 831607514 /nfs/dbraw/zinc/60/75/14/831607514.db2.gz XVJISPHUKYLOQU-LSDHHAIUSA-N 1 3 313.442 -0.082 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H]2C[N@@H+](CCCO)CCCO2)C1 ZINC001150326389 831607517 /nfs/dbraw/zinc/60/75/17/831607517.db2.gz XVJISPHUKYLOQU-LSDHHAIUSA-N 1 3 313.442 -0.082 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001150547025 831628049 /nfs/dbraw/zinc/62/80/49/831628049.db2.gz MTFLTGRTFPWDJX-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001150547025 831628052 /nfs/dbraw/zinc/62/80/52/831628052.db2.gz MTFLTGRTFPWDJX-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001150626794 831635384 /nfs/dbraw/zinc/63/53/84/831635384.db2.gz YXGAEVGSAKPUHS-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001150626794 831635383 /nfs/dbraw/zinc/63/53/83/831635383.db2.gz YXGAEVGSAKPUHS-CQSZACIVSA-N 1 3 301.431 -0.082 20 0 DBADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001151049607 831660587 /nfs/dbraw/zinc/66/05/87/831660587.db2.gz UGMLLZKOETVAGE-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CCCN(C(=O)CNCCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001151049607 831660588 /nfs/dbraw/zinc/66/05/88/831660588.db2.gz UGMLLZKOETVAGE-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152432904 831750502 /nfs/dbraw/zinc/75/05/02/831750502.db2.gz PXAMDMXJKCNQLK-UHFFFAOYSA-N 1 3 301.435 -0.260 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1 ZINC001152427298 831750963 /nfs/dbraw/zinc/75/09/63/831750963.db2.gz VVZJYWLDZUIGKN-ZDUSSCGKSA-N 1 3 319.471 -0.143 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCNS(C)(=O)=O ZINC001152457370 831753185 /nfs/dbraw/zinc/75/31/85/831753185.db2.gz CRBLWKNXJNLPOV-LBPRGKRZSA-N 1 3 320.459 -0.884 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCC(=O)NC1=O ZINC001152459135 831753478 /nfs/dbraw/zinc/75/34/78/831753478.db2.gz ZOYAVQRMYQMGEF-NEPJUHHUSA-N 1 3 310.398 -0.628 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001152457974 831753586 /nfs/dbraw/zinc/75/35/86/831753586.db2.gz JZEWJOLYWOGFQB-CYBMUJFWSA-N 1 3 311.430 -0.408 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001152479818 831754031 /nfs/dbraw/zinc/75/40/31/831754031.db2.gz KQMNNGAVALOOGW-CABCVRRESA-N 1 3 323.441 -0.176 20 0 DBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCN1C ZINC001155791594 831952664 /nfs/dbraw/zinc/95/26/64/831952664.db2.gz XPFJYNVJCSZCPQ-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@H]1C[C@@H](OC)CCN1 ZINC001157344588 832035549 /nfs/dbraw/zinc/03/55/49/832035549.db2.gz PPJDTWWRMWZXGT-SDDRHHMPSA-N 1 3 300.403 -0.887 20 0 DBADHO CN[C@H](C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1)[C@@H](C)O ZINC001157379916 832040149 /nfs/dbraw/zinc/04/01/49/832040149.db2.gz RDRDKSIPOXHQDJ-AGIUHOORSA-N 1 3 314.430 -0.809 20 0 DBADHO CNC(=O)C1CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC1 ZINC001157494842 832047321 /nfs/dbraw/zinc/04/73/21/832047321.db2.gz BYUHZINPVXPCGM-CYBMUJFWSA-N 1 3 308.426 -0.155 20 0 DBADHO CNC(=O)C1CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC1 ZINC001157494842 832047326 /nfs/dbraw/zinc/04/73/26/832047326.db2.gz BYUHZINPVXPCGM-CYBMUJFWSA-N 1 3 308.426 -0.155 20 0 DBADHO N[C@H]1CN(C(=O)c2ccc3c(c2)[C@@H]2C[NH2+]C[C@H]2NC3=O)C[C@H]1F ZINC001157559744 832052906 /nfs/dbraw/zinc/05/29/06/832052906.db2.gz IPEATSXMJOMEAM-RFQIPJPRSA-N 1 3 318.352 -0.393 20 0 DBADHO CN(C[C@H]1CNCCO1)C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH2+]1 ZINC001157720544 832058007 /nfs/dbraw/zinc/05/80/07/832058007.db2.gz LNBJKLZAFDNDFL-RDBSUJKOSA-N 1 3 324.425 -0.824 20 0 DBADHO CN(C[C@H]1CNCCO1)C(=O)c1cccnc1O[C@H]1CC[NH2+]C1 ZINC001157720184 832058100 /nfs/dbraw/zinc/05/81/00/832058100.db2.gz BVJOUBNRBZFQIY-QWHCGFSZSA-N 1 3 320.393 -0.117 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001157717006 832058220 /nfs/dbraw/zinc/05/82/20/832058220.db2.gz WCBVDVZKYOGFKA-YCPHGPKFSA-N 1 3 311.426 -0.018 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001157720168 832058637 /nfs/dbraw/zinc/05/86/37/832058637.db2.gz BLEFIAOYJRAOQK-JYJNAYRXSA-N 1 3 321.421 -0.246 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N1CCC[C@@](F)(C[NH3+])CC1 ZINC001157741098 832060058 /nfs/dbraw/zinc/06/00/58/832060058.db2.gz SQBZXXNDNRXMBW-GWCFXTLKSA-N 1 3 303.382 -0.558 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC(=O)N(C2CC2)C(=O)C1 ZINC001157862468 832067253 /nfs/dbraw/zinc/06/72/53/832067253.db2.gz FATAESYVXIAWRE-LBPRGKRZSA-N 1 3 310.398 -0.595 20 0 DBADHO N[C@@H](C(=O)N1C[C@H](CO)[C@@H](C(F)(F)F)C1)C1CC[NH2+]CC1 ZINC001157877641 832069486 /nfs/dbraw/zinc/06/94/86/832069486.db2.gz LVCHWULVLCFOIK-OUAUKWLOSA-N 1 3 309.332 -0.058 20 0 DBADHO C[C@]1(CO)CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)CC[C@@H]1O ZINC001157947786 832077664 /nfs/dbraw/zinc/07/76/64/832077664.db2.gz XJEBNGBIAUZDHH-VNHYZAJKSA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)CC[C@@H]1O ZINC001157947786 832077668 /nfs/dbraw/zinc/07/76/68/832077668.db2.gz XJEBNGBIAUZDHH-VNHYZAJKSA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C[C@H]1O ZINC001157947180 832078295 /nfs/dbraw/zinc/07/82/95/832078295.db2.gz RAUMKQQGJCLHCJ-UMVBOHGHSA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@H]1O ZINC001157947180 832078303 /nfs/dbraw/zinc/07/83/03/832078303.db2.gz RAUMKQQGJCLHCJ-UMVBOHGHSA-N 1 3 311.426 -0.548 20 0 DBADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001157999534 832082144 /nfs/dbraw/zinc/08/21/44/832082144.db2.gz SIEPCEQSCFOYKZ-STQMWFEESA-N 1 3 324.425 -0.776 20 0 DBADHO CCOC(=O)[C@@H]1CNCCN1C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001157999534 832082148 /nfs/dbraw/zinc/08/21/48/832082148.db2.gz SIEPCEQSCFOYKZ-STQMWFEESA-N 1 3 324.425 -0.776 20 0 DBADHO CN[C@H](Cc1ccccc1)C(=O)N1CC(=O)NC[C@@]12CC[NH2+]C2 ZINC001158091751 832089150 /nfs/dbraw/zinc/08/91/50/832089150.db2.gz IABVXCWJWUJEAP-PBHICJAKSA-N 1 3 316.405 -0.492 20 0 DBADHO O=C(c1cncc2c1CCNC2)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158179415 832096594 /nfs/dbraw/zinc/09/65/94/832096594.db2.gz LXWJDXUYCUAMHW-IUODEOHRSA-N 1 3 302.378 -0.212 20 0 DBADHO O=C([C@H]1CNC[C@@H](F)C1)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158260775 832100988 /nfs/dbraw/zinc/10/09/88/832100988.db2.gz GVWMTUBVEWWNGA-NEPJUHHUSA-N 1 3 322.388 -0.353 20 0 DBADHO Cn1nnc2c1ncnc2N1CCC([N@@H+]2CC[C@H](N)C2)CC1 ZINC001158270518 832102013 /nfs/dbraw/zinc/10/20/13/832102013.db2.gz UMPSYUCKMKDRCD-JTQLQIEISA-N 1 3 302.386 -0.240 20 0 DBADHO Cn1nnc2c1ncnc2N1CCC([N@H+]2CC[C@H](N)C2)CC1 ZINC001158270518 832102017 /nfs/dbraw/zinc/10/20/17/832102017.db2.gz UMPSYUCKMKDRCD-JTQLQIEISA-N 1 3 302.386 -0.240 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158532954 832120992 /nfs/dbraw/zinc/12/09/92/832120992.db2.gz FZHUURPSTSXWCD-ZGMNHVEMSA-N 1 3 319.409 -0.731 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158578146 832122524 /nfs/dbraw/zinc/12/25/24/832122524.db2.gz KQEMKELRGSMBPD-XKQOKNHGSA-N 1 3 305.419 -0.382 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576623 832122733 /nfs/dbraw/zinc/12/27/33/832122733.db2.gz CICOGZNWRCJGOK-XWLWVQCSSA-N 1 3 300.378 -0.626 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158567216 832122859 /nfs/dbraw/zinc/12/28/59/832122859.db2.gz GRERTIFRJGMCKV-DRZSPHRISA-N 1 3 309.389 -0.175 20 0 DBADHO CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)C[C@@H](O)C[NH3+])C2 ZINC001158855105 832141720 /nfs/dbraw/zinc/14/17/20/832141720.db2.gz CHNWJRPGYFZTEL-LLVKDONJSA-N 1 3 309.414 -0.156 20 0 DBADHO COC[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH3+])Cc2cn(C)nc21 ZINC001159018328 832152070 /nfs/dbraw/zinc/15/20/70/832152070.db2.gz MEQMEEUQRRIEQR-STQMWFEESA-N 1 3 309.414 -0.051 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)NCCC[NH2+]CC(=O)N(C)C ZINC001159154703 832159634 /nfs/dbraw/zinc/15/96/34/832159634.db2.gz BIZBEQCJTSVVQG-GFCCVEGCSA-N 1 3 304.410 -0.150 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCn1cncn1 ZINC001270023200 832491520 /nfs/dbraw/zinc/49/15/20/832491520.db2.gz WNXCOGKEEBZNFV-KGLIPLIRSA-N 1 3 306.414 -0.047 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001187221141 833911057 /nfs/dbraw/zinc/91/10/57/833911057.db2.gz SVLNDLQYLJGDPJ-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001271168920 832633740 /nfs/dbraw/zinc/63/37/40/832633740.db2.gz BJTFSUBJNNHXTD-QWHCGFSZSA-N 1 3 313.446 -0.212 20 0 DBADHO CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCN1CCNC1=O)N(C)C ZINC001271168914 832633832 /nfs/dbraw/zinc/63/38/32/832633832.db2.gz BJTFSUBJNNHXTD-CHWSQXEVSA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271210713 832639356 /nfs/dbraw/zinc/63/93/56/832639356.db2.gz ZVNZKBAWWFNOTG-NWDGAFQWSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271210713 832639358 /nfs/dbraw/zinc/63/93/58/832639358.db2.gz ZVNZKBAWWFNOTG-NWDGAFQWSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@H](C(=O)N1C[C@@H]2OCCN(CC[NH+](C)C)[C@H]2C1)N1CCCC1 ZINC001271214100 832640142 /nfs/dbraw/zinc/64/01/42/832640142.db2.gz MKVYLBBJQHOKKB-PMPSAXMXSA-N 1 3 324.469 -0.056 20 0 DBADHO CN1CCC(O)(C(=O)N2CC[C@H]3[C@@H]2CCN3CC[NH+](C)C)CC1 ZINC001271803355 832703083 /nfs/dbraw/zinc/70/30/83/832703083.db2.gz CRQJDRWUPPBEHF-GJZGRUSLSA-N 1 3 324.469 -0.320 20 0 DBADHO CCCN1CC2(C1)COCC(=O)N2CCCN1CC[NH+](C)CC1 ZINC001272457084 832787251 /nfs/dbraw/zinc/78/72/51/832787251.db2.gz PYNYGHWWLTXCGY-UHFFFAOYSA-N 1 3 324.469 -0.053 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@@H](O)C[NH2+]CCO)C1 ZINC001272520736 832793343 /nfs/dbraw/zinc/79/33/43/832793343.db2.gz KCKQNTJKZGGARQ-FZMZJTMJSA-N 1 3 305.394 -0.742 20 0 DBADHO O=C([C@@H]1COC2(CNC2)CN1)N1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001159291390 832802368 /nfs/dbraw/zinc/80/23/68/832802368.db2.gz OFZYBUKSYSJPHD-AWEZNQCLSA-N 1 3 320.437 -0.739 20 0 DBADHO O=C([C@@H]1COC2(CNC2)CN1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001159291390 832802380 /nfs/dbraw/zinc/80/23/80/832802380.db2.gz OFZYBUKSYSJPHD-AWEZNQCLSA-N 1 3 320.437 -0.739 20 0 DBADHO CCOC[C@@H]1CN(C(=O)[C@@H](N)CCC[NH3+])Cc2cnn(C)c21 ZINC001159394920 832812319 /nfs/dbraw/zinc/81/23/19/832812319.db2.gz SQTSGLWBCNMXLI-STQMWFEESA-N 1 3 309.414 -0.051 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001159915786 832858412 /nfs/dbraw/zinc/85/84/12/832858412.db2.gz NVNZXYPNFLWPNU-LBPRGKRZSA-N 1 3 305.444 -0.533 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)C1CC1 ZINC001159915785 832858717 /nfs/dbraw/zinc/85/87/17/832858717.db2.gz NVNZXYPNFLWPNU-GFCCVEGCSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H]([NH2+]CCCNC(=O)[C@@H](C1CC1)N(C)C)C(=O)NC(N)=O ZINC001159931650 832861020 /nfs/dbraw/zinc/86/10/20/832861020.db2.gz HPJNKIDIHHIYHW-MWLCHTKSSA-N 1 3 313.402 -0.994 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001159932793 832861443 /nfs/dbraw/zinc/86/14/43/832861443.db2.gz VNLJCUCGVFIFFR-CYBMUJFWSA-N 1 3 319.471 -0.143 20 0 DBADHO CN(CC(=O)NCCC[NH2+]CCNS(C)(=O)=O)C1CCC1 ZINC001160003367 832863909 /nfs/dbraw/zinc/86/39/09/832863909.db2.gz LIJDKPFGDHJXOR-UHFFFAOYSA-N 1 3 320.459 -0.884 20 0 DBADHO CC(=O)N1CCC[C@@]2(C1)CN(C(=O)[C@H](N)CCC[NH3+])CCO2 ZINC001160180282 832881271 /nfs/dbraw/zinc/88/12/71/832881271.db2.gz SKUFNKNVSLYAMT-UKRRQHHQSA-N 1 3 312.414 -0.708 20 0 DBADHO CN(C)CCN1CC2(CN(C[C@@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144897 832884739 /nfs/dbraw/zinc/88/47/39/832884739.db2.gz TZMMAUTURMJCGU-OAHLLOKOSA-N 1 3 324.469 -0.197 20 0 DBADHO CN(C)CCN1CC2(CN(C[C@@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273144897 832884749 /nfs/dbraw/zinc/88/47/49/832884749.db2.gz TZMMAUTURMJCGU-OAHLLOKOSA-N 1 3 324.469 -0.197 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H](OCC2CC2)[C@H]2COC[C@H]21 ZINC001160404543 832899461 /nfs/dbraw/zinc/89/94/61/832899461.db2.gz OZXNYIOMJNSFSN-BYNSBNAKSA-N 1 3 321.421 -0.552 20 0 DBADHO CC(C)[C@@H](C(=O)NCCC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001160428308 832902341 /nfs/dbraw/zinc/90/23/41/832902341.db2.gz ZNKOCFJOURGXGV-MNOVXSKESA-N 1 3 315.418 -0.748 20 0 DBADHO CCN(CC[NH2+]CCCS(C)(=O)=O)C(=O)[C@@H]1CCCN1C ZINC001273297798 832908545 /nfs/dbraw/zinc/90/85/45/832908545.db2.gz BOEIYIYBXVVPTQ-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO CC(C)CC(=O)NC1CCN(C(=O)[C@@H]2C[NH2+]CC23CNC3)CC1 ZINC001160498405 832910461 /nfs/dbraw/zinc/91/04/61/832910461.db2.gz KFJNZYSESIHWBV-AWEZNQCLSA-N 1 3 322.453 -0.051 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001160506965 832912961 /nfs/dbraw/zinc/91/29/61/832912961.db2.gz SKXZTQJOKDPSLT-STQMWFEESA-N 1 3 312.414 -0.708 20 0 DBADHO N[C@H](C(=O)N1CCN(c2cccnn2)CC1)C1CC[NH2+]CC1 ZINC001160569171 832917339 /nfs/dbraw/zinc/91/73/39/832917339.db2.gz ATYVIZUBOSXYFO-AWEZNQCLSA-N 1 3 304.398 -0.548 20 0 DBADHO NC[C@H](N)C(=O)N1c2ccccc2C(=O)NC12CC[NH2+]CC2 ZINC001160585405 832921274 /nfs/dbraw/zinc/92/12/74/832921274.db2.gz JWIWCUXEBIGQFX-NSHDSACASA-N 1 3 303.366 -0.871 20 0 DBADHO COC(=O)C[C@@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CCO1 ZINC001160595956 832922974 /nfs/dbraw/zinc/92/29/74/832922974.db2.gz JYEIVOBHKLUJCE-OLZOCXBDSA-N 1 3 315.414 -0.164 20 0 DBADHO Cc1ccnc(N2CCN(C(=O)[C@@H]3C[NH2+]CC34CNC4)CC2)c1 ZINC001160603318 832924489 /nfs/dbraw/zinc/92/44/89/832924489.db2.gz VUUPRMWRNPFOKE-AWEZNQCLSA-N 1 3 315.421 -0.152 20 0 DBADHO CCOc1ccc(C[C@H](N)C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)cc1 ZINC001160652976 832931347 /nfs/dbraw/zinc/93/13/47/832931347.db2.gz STHBLFHPIKVFII-QLFBSQMISA-N 1 3 307.394 -0.124 20 0 DBADHO CN[C@@H](COCc1ccccc1)C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160652542 832931402 /nfs/dbraw/zinc/93/14/02/832931402.db2.gz GASUAHYHDXGXOS-QLFBSQMISA-N 1 3 307.394 -0.288 20 0 DBADHO CC1(C)CN(C2CN(C(=O)[C@H](N)C3CC[NH2+]CC3)C2)CCO1 ZINC001160663810 832932243 /nfs/dbraw/zinc/93/22/43/832932243.db2.gz WBJBXAVXTPDLLJ-CQSZACIVSA-N 1 3 310.442 -0.365 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC2(CC1)CC(=O)NC(=O)C2 ZINC001160716050 832937405 /nfs/dbraw/zinc/93/74/05/832937405.db2.gz OMJHUNMHEUJOGR-NSHDSACASA-N 1 3 310.398 -0.512 20 0 DBADHO O=C(N1CCc2ccc(=O)[nH]c2CC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160755884 832940868 /nfs/dbraw/zinc/94/08/68/832940868.db2.gz WJJHNNXAFIQFMX-CXAGYDPISA-N 1 3 316.405 -0.087 20 0 DBADHO CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)CCC[NH3+])CC2 ZINC001160805643 832944918 /nfs/dbraw/zinc/94/49/18/832944918.db2.gz DUKSOFDCCANKED-NSHDSACASA-N 1 3 323.397 -0.489 20 0 DBADHO CCOC(=O)[C@]12CN(C(=O)C(N)C(F)(F)F)C[C@H]1C[NH2+]CC2 ZINC001160812018 832945567 /nfs/dbraw/zinc/94/55/67/832945567.db2.gz FCEAPUCXWPPKIQ-VDDIYKPWSA-N 1 3 323.315 -0.123 20 0 DBADHO COC(=O)[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)C2 ZINC001160819966 832946900 /nfs/dbraw/zinc/94/69/00/832946900.db2.gz PNGWVSJGQQEKOB-GMIGGYDBSA-N 1 3 321.421 -0.014 20 0 DBADHO Nc1cccnc1N1CCN(C(=O)[C@H]2C[NH2+]CC23CNC3)CC1 ZINC001160825621 832947975 /nfs/dbraw/zinc/94/79/75/832947975.db2.gz FYJDYXNSOYDRJL-GFCCVEGCSA-N 1 3 316.409 -0.879 20 0 DBADHO CC[C@H](C(=O)N(CC)CC[NH2+][C@H]1CCC(=O)NC1=O)N(C)C ZINC001273710259 832956518 /nfs/dbraw/zinc/95/65/18/832956518.db2.gz ODFQUQXTURMDRX-NWDGAFQWSA-N 1 3 312.414 -0.430 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N(c1ncccn1)C1C[NH2+]C1 ZINC001160916494 832960351 /nfs/dbraw/zinc/96/03/51/832960351.db2.gz YVKVQTIBJGKOFW-LBPRGKRZSA-N 1 3 301.354 -0.915 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1CCOC[C@@H]1c1cccnc1 ZINC001160950820 832961350 /nfs/dbraw/zinc/96/13/50/832961350.db2.gz HOAHJHYNVDGHRA-UONOGXRCSA-N 1 3 302.378 -0.210 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N2C[C@@H]([NH3+])CC(F)(F)C2)C1=O ZINC001160973455 832963138 /nfs/dbraw/zinc/96/31/38/832963138.db2.gz VKRBAJKRQSBFJW-UWVGGRQHSA-N 1 3 304.341 -0.479 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160970742 832963514 /nfs/dbraw/zinc/96/35/14/832963514.db2.gz AVXQPJDTAHCWGS-AEJSXWLSSA-N 1 3 304.341 -0.481 20 0 DBADHO O=C([C@@H]1CC[C@]2(C1)CNCCO2)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161000108 832964242 /nfs/dbraw/zinc/96/42/42/832964242.db2.gz PUJITELBNQMOBZ-YCPHGPKFSA-N 1 3 323.437 -0.140 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161009371 832965245 /nfs/dbraw/zinc/96/52/45/832965245.db2.gz VGXIQXSWSFYIQQ-AVGNSLFASA-N 1 3 324.425 -0.960 20 0 DBADHO CN(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001161058290 832970740 /nfs/dbraw/zinc/97/07/40/832970740.db2.gz QZNKIMTUARUVNH-SDDRHHMPSA-N 1 3 315.439 -0.509 20 0 DBADHO O=C(N1Cc2ccnn2CC[C@@H]1CO)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001161172430 832988375 /nfs/dbraw/zinc/98/83/75/832988375.db2.gz UKSDUVDDTJIOEI-XNRPHZJLSA-N 1 3 319.409 -0.825 20 0 DBADHO N[C@@H](C(=O)N1Cc2ccnn2CC[C@@H]1CO)C1CC[NH2+]CC1 ZINC001161172881 832988770 /nfs/dbraw/zinc/98/87/70/832988770.db2.gz YKVLSWXJVSSJCB-ZIAGYGMSSA-N 1 3 307.398 -0.697 20 0 DBADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]2C1 ZINC001161174635 832989036 /nfs/dbraw/zinc/98/90/36/832989036.db2.gz BIWXRFJNNVJBBV-MCIONIFRSA-N 1 3 308.426 -0.883 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+]C[C@@H](O)COC)[C@@H]1C)N(C)C ZINC001179553918 833550695 /nfs/dbraw/zinc/55/06/95/833550695.db2.gz FTKQUWVVNGEURM-CRWXNKLISA-N 1 3 301.431 -0.087 20 0 DBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001180124700 833570674 /nfs/dbraw/zinc/57/06/74/833570674.db2.gz NJJQEODJPDIZDA-AVGNSLFASA-N 1 3 317.455 -0.438 20 0 DBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180124700 833570676 /nfs/dbraw/zinc/57/06/76/833570676.db2.gz NJJQEODJPDIZDA-AVGNSLFASA-N 1 3 317.455 -0.438 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001181652837 833638597 /nfs/dbraw/zinc/63/85/97/833638597.db2.gz QWVJVYRVGGCWEJ-OLZOCXBDSA-N 1 3 317.455 -0.294 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC001181652904 833638885 /nfs/dbraw/zinc/63/88/85/833638885.db2.gz RKQKRKUKHMWIPH-KGLIPLIRSA-N 1 3 308.426 -0.203 20 0 DBADHO CN1CCC(O)(C(=O)n2ccc([C@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001182032784 833652233 /nfs/dbraw/zinc/65/22/33/833652233.db2.gz IZPLXDSKAYFFHK-LLVKDONJSA-N 1 3 305.382 -0.116 20 0 DBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)C2(O)CCN(C)CC2)O1 ZINC001182036778 833653384 /nfs/dbraw/zinc/65/33/84/833653384.db2.gz XFTRHMGCUCKTKH-UPJWGTAASA-N 1 3 315.414 -0.716 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001182964295 833697726 /nfs/dbraw/zinc/69/77/26/833697726.db2.gz KZOHTKKKOSHHMQ-VXGBXAGGSA-N 1 3 302.394 -0.397 20 0 DBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001183229851 833710653 /nfs/dbraw/zinc/71/06/53/833710653.db2.gz QMRXLDINOPOUQD-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1 ZINC001183229851 833710651 /nfs/dbraw/zinc/71/06/51/833710651.db2.gz QMRXLDINOPOUQD-UONOGXRCSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)N(C)C ZINC001183590781 833724167 /nfs/dbraw/zinc/72/41/67/833724167.db2.gz DNOOKEXVQZBMAE-QLFBSQMISA-N 1 3 323.441 -0.225 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183759951 833735338 /nfs/dbraw/zinc/73/53/38/833735338.db2.gz SLHXIMMUWTZBCN-SNVBAGLBSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001183759951 833735340 /nfs/dbraw/zinc/73/53/40/833735340.db2.gz SLHXIMMUWTZBCN-SNVBAGLBSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1)C(=O)NC1CC1 ZINC001184876557 833774366 /nfs/dbraw/zinc/77/43/66/833774366.db2.gz KBNBCCBURUANBK-MRVWCRGKSA-N 1 3 308.426 -0.062 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)N(C)C ZINC001185446570 833795110 /nfs/dbraw/zinc/79/51/10/833795110.db2.gz OLUCSJSTNXOBHL-ZIAGYGMSSA-N 1 3 301.431 -0.228 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001186496825 833853109 /nfs/dbraw/zinc/85/31/09/833853109.db2.gz RUEQELKLAJXTRA-CYBMUJFWSA-N 1 3 319.471 -0.047 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001187106491 833902865 /nfs/dbraw/zinc/90/28/65/833902865.db2.gz IHNRTMFTWVVUIM-CHWSQXEVSA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001187106491 833902870 /nfs/dbraw/zinc/90/28/70/833902870.db2.gz IHNRTMFTWVVUIM-CHWSQXEVSA-N 1 3 317.455 -0.437 20 0 DBADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187818537 833951507 /nfs/dbraw/zinc/95/15/07/833951507.db2.gz QMMDISULXCNGNJ-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)C(=O)CN[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187818537 833951513 /nfs/dbraw/zinc/95/15/13/833951513.db2.gz QMMDISULXCNGNJ-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)C(=O)CN1CC[C@H]2C[N@@H+](CC(=O)NC3CC3)C[C@H]2CC1 ZINC001277630078 833977704 /nfs/dbraw/zinc/97/77/04/833977704.db2.gz BSKNHYJYVBXKIL-OKILXGFUSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C(=O)CN1CC[C@H]2C[N@H+](CC(=O)NC3CC3)C[C@H]2CC1 ZINC001277630078 833977707 /nfs/dbraw/zinc/97/77/07/833977707.db2.gz BSKNHYJYVBXKIL-OKILXGFUSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(Nc1nnco1)C1=NO[C@@H]2CN(CC3CC[NH2+]CC3)C[C@H]12 ZINC001277823233 833995523 /nfs/dbraw/zinc/99/55/23/833995523.db2.gz CPNYHFBPQICJKQ-WDEREUQCSA-N 1 3 320.353 -0.306 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001189660534 834103365 /nfs/dbraw/zinc/10/33/65/834103365.db2.gz UYWNQKFGLSHADL-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN([C@H]3CCNC3=O)C[C@H]21 ZINC001189660534 834103370 /nfs/dbraw/zinc/10/33/70/834103370.db2.gz UYWNQKFGLSHADL-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO O=S(=O)([N-]C[C@@]1(C(F)(F)F)CC[NH2+]C1)[C@@H]1CC[NH2+]C1 ZINC001238169968 834348967 /nfs/dbraw/zinc/34/89/67/834348967.db2.gz MXRUSEQULMDCHN-RKDXNWHRSA-N 1 3 301.334 -0.190 20 0 DBADHO Cn1cnc(S(=O)(=O)NC[C@H]2CCC3(CCNCC3)[NH2+]2)c1 ZINC001238240320 834350032 /nfs/dbraw/zinc/35/00/32/834350032.db2.gz GPFWEPRIKUWGDZ-LLVKDONJSA-N 1 3 313.427 -0.427 20 0 DBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CC[C@H]2NCCO[C@H]21 ZINC001238325600 834351630 /nfs/dbraw/zinc/35/16/30/834351630.db2.gz JSCAFAKUKBTYHR-MJBXVCDLSA-N 1 3 317.455 -0.328 20 0 DBADHO COC(=O)[C@H](CCCC[NH3+])[N-]S(=O)(=O)CC1CC[NH2+]CC1 ZINC001238356125 834355388 /nfs/dbraw/zinc/35/53/88/834355388.db2.gz MLNFTKZKDUZUMN-LBPRGKRZSA-N 1 3 321.443 -0.424 20 0 DBADHO CCOC(=O)C1([N-]S(=O)(=O)C2CC[NH2+]CC2)CC[NH2+]CC1 ZINC001238887362 834368965 /nfs/dbraw/zinc/36/89/65/834368965.db2.gz LTXWIKVMKHJNBH-UHFFFAOYSA-N 1 3 319.427 -0.657 20 0 DBADHO CCOC(=O)[C@@H]1CC2(CN1S(=O)(=O)CCN)CC[NH2+]CC2 ZINC001239003072 834377230 /nfs/dbraw/zinc/37/72/30/834377230.db2.gz YWSXFCCOQOVYOO-NSHDSACASA-N 1 3 319.427 -0.718 20 0 DBADHO O=C1C[C@H]2[NH2+]CC[C@]2(NC(=S)NCCN2CCCCC2)N1 ZINC001239367313 834396187 /nfs/dbraw/zinc/39/61/87/834396187.db2.gz QBGVJZMWIKKYFP-BXUZGUMPSA-N 1 3 311.455 -0.486 20 0 DBADHO O=C1C[C@H]2[NH2+]CC[C@@]2(NC(=S)NCCN2CCCCC2)N1 ZINC001239367319 834396603 /nfs/dbraw/zinc/39/66/03/834396603.db2.gz QBGVJZMWIKKYFP-RISCZKNCSA-N 1 3 311.455 -0.486 20 0 DBADHO S=C(NCCN1CCCCC1)N1CCNC[C@@]12CC[NH2+]C2 ZINC001239424954 834398315 /nfs/dbraw/zinc/39/83/15/834398315.db2.gz ZTBRFOKGEYOGRP-HNNXBMFYSA-N 1 3 311.499 -0.016 20 0 DBADHO COC(=O)[C@@H]1CN(C(=S)NCCN2CCCCC2)C[C@H]1[NH3+] ZINC001239452948 834400305 /nfs/dbraw/zinc/40/03/05/834400305.db2.gz SRVANCGULQPDMJ-VXGBXAGGSA-N 1 3 314.455 -0.221 20 0 DBADHO O[C@H](CNCc1noc2c1CNCC2)CC1(O)CC[NH2+]CC1 ZINC001245980935 834406465 /nfs/dbraw/zinc/40/64/65/834406465.db2.gz DNQDISVRUAGOPS-NSHDSACASA-N 1 3 310.398 -0.725 20 0 DBADHO CCOC[C@@H](O)C[N@@H+]1C[C@H]2CNCC[C@@]2(C(=O)OCC)C1 ZINC001246046007 834413728 /nfs/dbraw/zinc/41/37/28/834413728.db2.gz MKZUFQAKJVTGDA-VNHYZAJKSA-N 1 3 300.399 -0.142 20 0 DBADHO CCOC[C@@H](O)C[N@H+]1C[C@H]2CNCC[C@@]2(C(=O)OCC)C1 ZINC001246046007 834413735 /nfs/dbraw/zinc/41/37/35/834413735.db2.gz MKZUFQAKJVTGDA-VNHYZAJKSA-N 1 3 300.399 -0.142 20 0 DBADHO C[C@@H](CN1CC[NH2+]CC1)N[C@H]1CN[C@H](C(=O)OC(C)(C)C)C1 ZINC001246079174 834416506 /nfs/dbraw/zinc/41/65/06/834416506.db2.gz JGUCOUSPNRLDPQ-MJBXVCDLSA-N 1 3 312.458 -0.058 20 0 DBADHO CS(=O)(=O)c1ccc(CN[C@H]2CCNC3(C[NH2+]C3)C2)nc1 ZINC001246120639 834417369 /nfs/dbraw/zinc/41/73/69/834417369.db2.gz ORFAXEZBJSXGQC-NSHDSACASA-N 1 3 310.423 -0.331 20 0 DBADHO O=C1C[C@H]2[NH2+]CC[C@@]2(NC2CCC(N3CCOCC3)CC2)N1 ZINC001246152866 834421240 /nfs/dbraw/zinc/42/12/40/834421240.db2.gz QTQUYMQQYZKJDR-UWTIDYAISA-N 1 3 308.426 -0.203 20 0 DBADHO O=C([C@@H]1C[C@@H](N[C@@H]2CCNC[C@H]2F)C[NH2+]1)N1CCSC1 ZINC001246217887 834424539 /nfs/dbraw/zinc/42/45/39/834424539.db2.gz MKMIVOIMXTWSHD-KKOKHZNYSA-N 1 3 302.419 -0.461 20 0 DBADHO COC(=O)C1C[C@@H]2CC([NH2+]CCN3CCNCC3=O)C[C@H](C1)N2 ZINC001246356359 834431424 /nfs/dbraw/zinc/43/14/24/834431424.db2.gz NOMVZTWDROLJDA-LLZFXZEUSA-N 1 3 324.425 -0.920 20 0 DBADHO CC(C)(C)OC(=O)C[C@H](N[C@H]1CCNC2(C[NH2+]C2)C1)C(N)=O ZINC001246443320 834435751 /nfs/dbraw/zinc/43/57/51/834435751.db2.gz MYIPRUBHDVGNMZ-QWRGUYRKSA-N 1 3 312.414 -0.744 20 0 DBADHO COC(=O)C1C[C@@H]2CC(N(C)C[C@H]3CNCCO3)C[C@H](C1)[NH2+]2 ZINC001246562118 834440799 /nfs/dbraw/zinc/44/07/99/834440799.db2.gz YFZLQJJWMCMVGN-OYNNJRIESA-N 1 3 311.426 -0.021 20 0 DBADHO c1nc2n(n1)C1(CC[NH2+]CC1)CN(C1C[C@@H]3COC[C@H](C1)N3)C2 ZINC001246648711 834444366 /nfs/dbraw/zinc/44/43/66/834444366.db2.gz YYMGROMVBNJWPG-PBWFPOADSA-N 1 3 318.425 -0.308 20 0 DBADHO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@@H+](C3CCNCC3)C[C@H]2C1 ZINC001246745375 834453031 /nfs/dbraw/zinc/45/30/31/834453031.db2.gz HJFSNTWWCAOKJW-OLZOCXBDSA-N 1 3 316.471 -0.202 20 0 DBADHO CN(C)S(=O)(=O)N1CC[C@@H]2C[N@H+](C3CCNCC3)C[C@H]2C1 ZINC001246745375 834453034 /nfs/dbraw/zinc/45/30/34/834453034.db2.gz HJFSNTWWCAOKJW-OLZOCXBDSA-N 1 3 316.471 -0.202 20 0 DBADHO COC(=O)[C@@H]1CC[C@H](N2CCC[C@@H](N3CC(C[NH3+])C3)C2)CN1 ZINC001246869669 834460456 /nfs/dbraw/zinc/46/04/56/834460456.db2.gz HBKHVIUEPNVCHF-ZNMIVQPWSA-N 1 3 310.442 -0.365 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1C1CC2(C1)CC[NH2+]C2)O3 ZINC001247011950 834469131 /nfs/dbraw/zinc/46/91/31/834469131.db2.gz RGIZNFUNMPQJNW-ISDWTXNASA-N 1 3 313.423 -0.727 20 0 DBADHO F[C@H]1CN([C@H]2CCNC3(C[NH2+]C3)C2)CC[C@H]1N1CCOCC1 ZINC001247014094 834469224 /nfs/dbraw/zinc/46/92/24/834469224.db2.gz CPZAZEDRZKEUQA-SOUVJXGZSA-N 1 3 312.433 -0.175 20 0 DBADHO O=S1(=O)[C@@H]2CC[NH2+]CC[C@@H]2CN1[C@H]1CC[C@@H]2NCCO[C@@H]21 ZINC001247013802 834469334 /nfs/dbraw/zinc/46/93/34/834469334.db2.gz YWQUHSJUNDLSCV-HTOAHKCRSA-N 1 3 315.439 -0.481 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001193642098 834519238 /nfs/dbraw/zinc/51/92/38/834519238.db2.gz MGLVEEITDFBKKC-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001193642098 834519244 /nfs/dbraw/zinc/51/92/44/834519244.db2.gz MGLVEEITDFBKKC-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CC(C)(C)[NH2+]C[C@@H](O)CNCC1CCN(S(C)(=O)=O)CC1 ZINC001253410918 834570381 /nfs/dbraw/zinc/57/03/81/834570381.db2.gz XGUSJEQGCSVUSA-ZDUSSCGKSA-N 1 3 321.487 -0.003 20 0 DBADHO CC(C)(C)NC[C@@H](O)C[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC001253410918 834570383 /nfs/dbraw/zinc/57/03/83/834570383.db2.gz XGUSJEQGCSVUSA-ZDUSSCGKSA-N 1 3 321.487 -0.003 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CN(CCC[C@H]2CCOC2)C[C@H]1O ZINC001195859149 834731974 /nfs/dbraw/zinc/73/19/74/834731974.db2.gz FTRPLNGITUWEJB-RRFJBIMHSA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+](C)CCC(=O)N1CCCN(C[C@H](O)Cn2cccn2)CC1 ZINC001197036803 834828502 /nfs/dbraw/zinc/82/85/02/834828502.db2.gz JIEGEEPSNHJVOL-HNNXBMFYSA-N 1 3 323.441 -0.270 20 0 DBADHO COCCCCN1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197820245 834906334 /nfs/dbraw/zinc/90/63/34/834906334.db2.gz ZEIFHFPBIRRVIR-ZIAGYGMSSA-N 1 3 311.426 -0.330 20 0 DBADHO C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CCN(CCCCCO)CC1 ZINC001263871008 834994313 /nfs/dbraw/zinc/99/43/13/834994313.db2.gz OLDZPBPMOHAOQD-HOTGVXAUSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CCN(CCCCCO)CC1 ZINC001263871008 834994321 /nfs/dbraw/zinc/99/43/21/834994321.db2.gz OLDZPBPMOHAOQD-HOTGVXAUSA-N 1 3 324.469 -0.319 20 0 DBADHO COCCOc1ncc(C(=O)N(CCCC[NH3+])C(=N)N)cn1 ZINC001199254385 835003542 /nfs/dbraw/zinc/00/35/42/835003542.db2.gz FRDVVABXZLFNLV-UHFFFAOYSA-N 1 3 310.358 -0.424 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001199788251 835056371 /nfs/dbraw/zinc/05/63/71/835056371.db2.gz NCVKIDVUTNSHNU-CYBMUJFWSA-N 1 3 317.455 -0.294 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC001199787649 835057374 /nfs/dbraw/zinc/05/73/74/835057374.db2.gz CBTVTUVKLSEMPU-CQSZACIVSA-N 1 3 308.426 -0.060 20 0 DBADHO CNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC001200657970 835144064 /nfs/dbraw/zinc/14/40/64/835144064.db2.gz FWFVEMUNGKWRLN-KGLIPLIRSA-N 1 3 324.425 -0.824 20 0 DBADHO O=C([C@H]1CN2CCC[C@H]2CO1)N1CCC([NH2+]CCCO)CC1 ZINC001200657726 835144304 /nfs/dbraw/zinc/14/43/04/835144304.db2.gz AFIMHNIWGKIELV-LSDHHAIUSA-N 1 3 311.426 -0.187 20 0 DBADHO C[C@H](NC[C@H]1CN(C(=O)CCC[NH+](C)C)CCCO1)C(N)=O ZINC001201262947 835179412 /nfs/dbraw/zinc/17/94/12/835179412.db2.gz WHOPMVBKFQKTLN-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+]CC(=O)NC)C1 ZINC001201677761 835202633 /nfs/dbraw/zinc/20/26/33/835202633.db2.gz CTOWUDJORFCPCD-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[C@@H](C(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1)N(C)C ZINC001202532284 835253574 /nfs/dbraw/zinc/25/35/74/835253574.db2.gz WRYJVOBYNZYXSD-ZDUSSCGKSA-N 1 3 319.471 -0.048 20 0 DBADHO CCN(CC)CC(=O)N1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC001203010375 835277912 /nfs/dbraw/zinc/27/79/12/835277912.db2.gz LFIGIRCTQIFAJC-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001203455678 835297307 /nfs/dbraw/zinc/29/73/07/835297307.db2.gz JLOMQHDLOJDRQJ-CYBMUJFWSA-N 1 3 324.425 -0.286 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC001203925568 835311605 /nfs/dbraw/zinc/31/16/05/835311605.db2.gz SMLDUMQUJSNREL-UHFFFAOYSA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@H+](CCOCCO)C2)C1 ZINC001266533785 835331316 /nfs/dbraw/zinc/33/13/16/835331316.db2.gz QOGWOMKYIGLJDX-CABCVRRESA-N 1 3 313.442 -0.225 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@@H]2CC[N@@H+](CCOCCO)C2)C1 ZINC001266533785 835331322 /nfs/dbraw/zinc/33/13/22/835331322.db2.gz QOGWOMKYIGLJDX-CABCVRRESA-N 1 3 313.442 -0.225 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001266569707 835339714 /nfs/dbraw/zinc/33/97/14/835339714.db2.gz JCGWBIVUCIMFNG-RYUDHWBXSA-N 1 3 310.398 -0.678 20 0 DBADHO CNC(=O)C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)N(C)C)CC1 ZINC001205461448 835344122 /nfs/dbraw/zinc/34/41/22/835344122.db2.gz JPEJEIARIBRYIV-HNNXBMFYSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(Cc1ccc(N2CC[NH2+]CC2)nc1)C[C@@H]1CNCCO1 ZINC001205537474 835347433 /nfs/dbraw/zinc/34/74/33/835347433.db2.gz HHZLVFZLASLUIU-HNNXBMFYSA-N 1 3 305.426 -0.089 20 0 DBADHO CS(=O)(=O)N1CCC(CN2CCCC[C@@](O)(C[NH3+])C2)CC1 ZINC001205662913 835350511 /nfs/dbraw/zinc/35/05/11/835350511.db2.gz FIETVZSMYKXZMA-CQSZACIVSA-N 1 3 319.471 -0.166 20 0 DBADHO CN(C)C1(C(=O)N(C)CC[NH2+]CCCS(C)(=O)=O)CCC1 ZINC001266724533 835368502 /nfs/dbraw/zinc/36/85/02/835368502.db2.gz RSWVTOUKJINPHI-UHFFFAOYSA-N 1 3 319.471 -0.047 20 0 DBADHO CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H](N)[C@H](F)CC3)[C@@H](O)[C@@H]2O1 ZINC001206154148 835382539 /nfs/dbraw/zinc/38/25/39/835382539.db2.gz GWAPLXHCNJPYSV-QKFSQAGISA-N 1 3 304.362 -0.015 20 0 DBADHO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H](N)[C@H](F)CC3)[C@@H](O)[C@@H]2O1 ZINC001206154148 835382546 /nfs/dbraw/zinc/38/25/46/835382546.db2.gz GWAPLXHCNJPYSV-QKFSQAGISA-N 1 3 304.362 -0.015 20 0 DBADHO C[C@@H](C[NH2+]CCN1C(=O)CCC1=O)N(C)C(=O)[C@H]1CCCN1C ZINC001268055219 835626882 /nfs/dbraw/zinc/62/68/82/835626882.db2.gz NFVZYEWJGMRLML-QWHCGFSZSA-N 1 3 324.425 -0.334 20 0 DBADHO C[C@H](C[NH2+]CCNS(C)(=O)=O)N(C)C(=O)[C@H]1CCCN1C ZINC001268078286 835629104 /nfs/dbraw/zinc/62/91/04/835629104.db2.gz CRZMQKMELKNZOL-VXGBXAGGSA-N 1 3 320.459 -0.934 20 0 DBADHO C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1=O)NC(=O)CN(C)C1CCC1 ZINC001268375203 835679560 /nfs/dbraw/zinc/67/95/60/835679560.db2.gz ZYNNLPLQTJAVOL-AAEUAGOBSA-N 1 3 324.425 -0.240 20 0 DBADHO CN1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCNC(=O)C1CC1 ZINC001268524880 835717371 /nfs/dbraw/zinc/71/73/71/835717371.db2.gz WKURXPIVHHXVHV-BAABZTOOSA-N 1 3 308.426 -0.131 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)CC[N@@H+]1C ZINC001268542947 835724283 /nfs/dbraw/zinc/72/42/83/835724283.db2.gz SSHJKOREEKDJCX-HUZDROCFSA-N 1 3 308.426 -0.133 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@@H]2CCCNC2=O)CC[N@H+]1C ZINC001268542947 835724289 /nfs/dbraw/zinc/72/42/89/835724289.db2.gz SSHJKOREEKDJCX-HUZDROCFSA-N 1 3 308.426 -0.133 20 0 DBADHO O=C(CN1CCCC1)NC/C=C/C[NH2+]CCN1C(=O)CCC1=O ZINC001268624682 835756787 /nfs/dbraw/zinc/75/67/87/835756787.db2.gz FGVBGSNDSUQXLJ-OWOJBTEDSA-N 1 3 322.409 -0.507 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NC(=O)NC ZINC001485218905 1013058041 /nfs/dbraw/zinc/05/80/41/1013058041.db2.gz XTXGDRSRCIHCCS-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H]1CCC(=O)NC1=O ZINC001485962472 1013451238 /nfs/dbraw/zinc/45/12/38/1013451238.db2.gz YGYRABSWRBGVSB-NEPJUHHUSA-N 1 3 312.414 -0.432 20 0 DBADHO C[C@@H](O)C[NH2+][C@@H](CO)CNC(=O)c1cccc(CN(C)C)c1 ZINC001486066162 1013652536 /nfs/dbraw/zinc/65/25/36/1013652536.db2.gz NDGHWIGELDORFK-IUODEOHRSA-N 1 3 309.410 -0.191 20 0 DBADHO C[C@@H](O)C[NH2+][C@H](CO)CNC(=O)c1cccc(CN(C)C)c1 ZINC001486066161 1013653165 /nfs/dbraw/zinc/65/31/65/1013653165.db2.gz NDGHWIGELDORFK-DOMZBBRYSA-N 1 3 309.410 -0.191 20 0 DBADHO C[C@@H]1C[C@@H](NCCS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001486122207 1013686325 /nfs/dbraw/zinc/68/63/25/1013686325.db2.gz PXCDEVYAEKXERC-CHWSQXEVSA-N 1 3 319.471 -0.048 20 0 DBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001486283392 1013785694 /nfs/dbraw/zinc/78/56/94/1013785694.db2.gz WOWAEUIJISWFOM-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001486283392 1013785704 /nfs/dbraw/zinc/78/57/04/1013785704.db2.gz WOWAEUIJISWFOM-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C[C@@H](O)CNCc1cnn(C)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001486312332 1013805934 /nfs/dbraw/zinc/80/59/34/1013805934.db2.gz XMYRCQMGKMPSEP-AWEZNQCLSA-N 1 3 321.425 -0.575 20 0 DBADHO C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001486312213 1013806021 /nfs/dbraw/zinc/80/60/21/1013806021.db2.gz SOHXYCATDQKJOO-NEPJUHHUSA-N 1 3 316.446 -0.753 20 0 DBADHO CN(CCO)C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001486358702 1013830194 /nfs/dbraw/zinc/83/01/94/1013830194.db2.gz HXEADPIVAXVCMB-AWEZNQCLSA-N 1 3 301.431 -0.394 20 0 DBADHO Cn1cc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051931089 977562836 /nfs/dbraw/zinc/56/28/36/977562836.db2.gz SUGIIVASVJCLMS-LSDHHAIUSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cc(CNC[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051931089 977562842 /nfs/dbraw/zinc/56/28/42/977562842.db2.gz SUGIIVASVJCLMS-LSDHHAIUSA-N 1 3 321.425 -0.311 20 0 DBADHO CCCN(C)CC(=O)N(C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001528435945 1014413110 /nfs/dbraw/zinc/41/31/10/1014413110.db2.gz URGROBJTRCSHFG-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC001488535009 1014459321 /nfs/dbraw/zinc/45/93/21/1014459321.db2.gz WOUGAFZMBVFPKD-FRRDWIJNSA-N 1 3 308.426 -0.347 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001208063428 978314975 /nfs/dbraw/zinc/31/49/75/978314975.db2.gz NEGJFBKDMJRACT-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001208261592 978328193 /nfs/dbraw/zinc/32/81/93/978328193.db2.gz QEMGDFCLMDSUND-NEPJUHHUSA-N 1 3 302.394 -0.268 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCCO)C1 ZINC001208638975 978395491 /nfs/dbraw/zinc/39/54/91/978395491.db2.gz NBLCCJLEAPZGLE-GYMHETDLSA-N 1 3 323.437 -0.187 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCC[C@H](N[C@H]3CCNC3=O)C2)CC1 ZINC001209302990 978446741 /nfs/dbraw/zinc/44/67/41/978446741.db2.gz ILBIYIHMDSPMPX-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H](N[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001209447387 978455966 /nfs/dbraw/zinc/45/59/66/978455966.db2.gz ZQZSWXISFKKEMT-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001210220748 978502449 /nfs/dbraw/zinc/50/24/49/978502449.db2.gz WLWDHUZSJPOELU-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001210811119 978533613 /nfs/dbraw/zinc/53/36/13/978533613.db2.gz JLNMEDJXUUHRNQ-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064515 978552735 /nfs/dbraw/zinc/55/27/35/978552735.db2.gz OJQCKXAYLIKEEU-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211064515 978552747 /nfs/dbraw/zinc/55/27/47/978552747.db2.gz OJQCKXAYLIKEEU-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064514 978554078 /nfs/dbraw/zinc/55/40/78/978554078.db2.gz OJQCKXAYLIKEEU-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211064514 978554086 /nfs/dbraw/zinc/55/40/86/978554086.db2.gz OJQCKXAYLIKEEU-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001211279144 978562883 /nfs/dbraw/zinc/56/28/83/978562883.db2.gz WATMEBAZOLYJGI-STQMWFEESA-N 1 3 324.425 -0.288 20 0 DBADHO CCOC(=O)[C@H]1CNCCN1Cc1cnc2n1CC[NH2+]CC2 ZINC001211352679 978568197 /nfs/dbraw/zinc/56/81/97/978568197.db2.gz BSPILVTXPLTANZ-CYBMUJFWSA-N 1 3 307.398 -0.634 20 0 DBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001214847835 978754756 /nfs/dbraw/zinc/75/47/56/978754756.db2.gz UYYPIKICORVDPM-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1N[C@@H]1CCN(C)C1=O ZINC001215413723 978767846 /nfs/dbraw/zinc/76/78/46/978767846.db2.gz JQVOOUMLPJDCQV-MGPQQGTHSA-N 1 3 322.453 -0.005 20 0 DBADHO CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1C ZINC001215540010 978773272 /nfs/dbraw/zinc/77/32/72/978773272.db2.gz GLNRPWQWNMNHTP-BFHYXJOUSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCc1cnn(C)c1 ZINC001216401551 978785457 /nfs/dbraw/zinc/78/54/57/978785457.db2.gz LHSQPGYENMYQNL-UKRRQHHQSA-N 1 3 323.441 -0.065 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001216511336 978788026 /nfs/dbraw/zinc/78/80/26/978788026.db2.gz NXNDWUMQPVHNDO-MGPQQGTHSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216752912 978791268 /nfs/dbraw/zinc/79/12/68/978791268.db2.gz ZYXCQAASKZYQFV-VNHYZAJKSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001216752912 978791276 /nfs/dbraw/zinc/79/12/76/978791276.db2.gz ZYXCQAASKZYQFV-VNHYZAJKSA-N 1 3 322.453 -0.005 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1C[NH2+][C@H](C)C1 ZINC001218038003 978818925 /nfs/dbraw/zinc/81/89/25/978818925.db2.gz WGQYWQIKDUYXHP-RKDXNWHRSA-N 1 3 324.381 -0.110 20 0 DBADHO COC(=O)c1nc(C(C)(C)[NH3+])n(C)c(=O)c1O[C@@H]1CCN(C)C1 ZINC001218038998 978819317 /nfs/dbraw/zinc/81/93/17/978819317.db2.gz QISDNGMWHXTBBU-SECBINFHSA-N 1 3 324.381 -0.156 20 0 DBADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(O[C@H]2C[NH2+]CCOC2)c1 ZINC001218047221 978819390 /nfs/dbraw/zinc/81/93/90/978819390.db2.gz HSXSQGSYSMXRNU-STQMWFEESA-N 1 3 323.393 -0.283 20 0 DBADHO CN(C)C(=O)[C@@H](N)Cc1ccc(O)c(OC[C@H]2C[NH2+]CCO2)c1 ZINC001218178480 978820340 /nfs/dbraw/zinc/82/03/40/978820340.db2.gz VYDMSCIMBVSZMG-OLZOCXBDSA-N 1 3 323.393 -0.283 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H](C)C1C[NH2+]C1 ZINC001218194762 978820802 /nfs/dbraw/zinc/82/08/02/978820802.db2.gz MZJBEDVTJQDBGJ-MRVPVSSYSA-N 1 3 324.381 -0.253 20 0 DBADHO Cn1ccnc1NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCC[NH3+] ZINC001218498621 978825233 /nfs/dbraw/zinc/82/52/33/978825233.db2.gz XHVBADJJMKBBSC-RYUDHWBXSA-N 1 3 322.413 -0.194 20 0 DBADHO CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218512354 978826646 /nfs/dbraw/zinc/82/66/46/978826646.db2.gz JXXDBAMFBDXYAF-VIFPVBQESA-N 1 3 307.354 -0.358 20 0 DBADHO CCCN=c1c(N)c(Cl)ncn1C(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218571402 978832443 /nfs/dbraw/zinc/83/24/43/978832443.db2.gz HFAUYOIDKJNYIY-SECBINFHSA-N 1 3 324.816 -0.121 20 0 DBADHO CCCN=c1c(N)c(Cl)ncn1C(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218571403 978833119 /nfs/dbraw/zinc/83/31/19/978833119.db2.gz HFAUYOIDKJNYIY-VIFPVBQESA-N 1 3 324.816 -0.121 20 0 DBADHO COC(=O)c1cc(C)cnc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218578709 978833847 /nfs/dbraw/zinc/83/38/47/978833847.db2.gz MAPIHTRLVXJXDD-NSHDSACASA-N 1 3 304.350 -0.076 20 0 DBADHO CN1CCN(c2ncc(NC(=O)[C@H](N)CCC[NH3+])cn2)CC1 ZINC001218579654 978834408 /nfs/dbraw/zinc/83/44/08/978834408.db2.gz JLRZOKRBRFGCHF-GFCCVEGCSA-N 1 3 307.402 -0.767 20 0 DBADHO O=C(Nc1cnn(C2CCOCC2)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218589370 978835153 /nfs/dbraw/zinc/83/51/53/978835153.db2.gz YSAARGGTUVIYSM-CYBMUJFWSA-N 1 3 305.382 -0.018 20 0 DBADHO CC(=O)Nc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)ncn1 ZINC001218611447 978837049 /nfs/dbraw/zinc/83/70/49/978837049.db2.gz XHXCJXVPQYOCTO-QMTHXVAHSA-N 1 3 304.354 -0.427 20 0 DBADHO O=C(Nc1cnn(C2C[NH2+]C2)c1)[C@H]1CNCc2ccnn2C1 ZINC001218640154 978839591 /nfs/dbraw/zinc/83/95/91/978839591.db2.gz KBIXSEGWYKRUAR-JTQLQIEISA-N 1 3 301.354 -0.418 20 0 DBADHO CCOC(=O)c1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)n(C)n1 ZINC001218636726 978839602 /nfs/dbraw/zinc/83/96/02/978839602.db2.gz GBXZCTONMMWPKM-VIFPVBQESA-N 1 3 307.354 -0.656 20 0 DBADHO N[C@@H]1C[NH2+][C@H](C(=O)Nc2ncnc3c2ncn3[C@@H]2CCCO2)C1 ZINC001218644637 978840603 /nfs/dbraw/zinc/84/06/03/978840603.db2.gz YHLRJGBTFIFZHA-GUBZILKMSA-N 1 3 317.353 -0.237 20 0 DBADHO Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218662632 978842148 /nfs/dbraw/zinc/84/21/48/978842148.db2.gz ZPTUSRCPNPTUAG-SNVBAGLBSA-N 1 3 324.406 -0.459 20 0 DBADHO Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@H]1CNCC12C[NH2+]C2 ZINC001218662632 978842151 /nfs/dbraw/zinc/84/21/51/978842151.db2.gz ZPTUSRCPNPTUAG-SNVBAGLBSA-N 1 3 324.406 -0.459 20 0 DBADHO Cc1nc2nc[nH]c2c(NC(=O)[C@H](N)CN2CCC([NH3+])CC2)n1 ZINC001218699800 978845096 /nfs/dbraw/zinc/84/50/96/978845096.db2.gz QSWREVRHNLDTBT-SNVBAGLBSA-N 1 3 318.385 -0.650 20 0 DBADHO CN1CCNC[C@@H]1C(=O)N(c1ncccc1N)C1CC[NH2+]CC1 ZINC001218696405 978845867 /nfs/dbraw/zinc/84/58/67/978845867.db2.gz UPBYCLLDFMMSSW-CQSZACIVSA-N 1 3 318.425 -0.348 20 0 DBADHO CCOC(=O)c1nc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1C ZINC001218707565 978846875 /nfs/dbraw/zinc/84/68/75/978846875.db2.gz RVSHOGYEEKWKNK-VIFPVBQESA-N 1 3 307.354 -0.656 20 0 DBADHO COC[C@@H](C)Oc1cc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)[nH]n1 ZINC001218720202 978848169 /nfs/dbraw/zinc/84/81/69/978848169.db2.gz XWEMTTIKZFBYTD-ZJUUUORDSA-N 1 3 309.370 -0.429 20 0 DBADHO CN1CCNC[C@@H]1C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218730773 978848281 /nfs/dbraw/zinc/84/82/81/978848281.db2.gz FDZAUOLAWMRGSR-CHWSQXEVSA-N 1 3 305.382 -0.336 20 0 DBADHO CCc1c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(C(N)=O)nn1C ZINC001218788465 978851887 /nfs/dbraw/zinc/85/18/87/978851887.db2.gz POBRXMDNRZMTFH-RFAUZJTJSA-N 1 3 320.397 -0.781 20 0 DBADHO COc1nc(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c(C)c(OC)n1 ZINC001218768290 978852306 /nfs/dbraw/zinc/85/23/06/978852306.db2.gz JPXUHEGLSPEGRW-MEBBXXQBSA-N 1 3 321.381 -0.060 20 0 DBADHO CCOc1cc(C(N)=O)ccc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218816262 978854485 /nfs/dbraw/zinc/85/44/85/978854485.db2.gz QPOWZZGGDGTGDE-LLVKDONJSA-N 1 3 318.377 -0.068 20 0 DBADHO O=C(Nc1ccc2c(c1)C(=O)NCCO2)[C@@H]1C[NH2+]CC12CNC2 ZINC001218816536 978854871 /nfs/dbraw/zinc/85/48/71/978854871.db2.gz IBQZWLLBHHMAGY-LBPRGKRZSA-N 1 3 316.361 -0.444 20 0 DBADHO CN(C)S(=O)(=O)c1ccccc1NC(=O)[C@@H](N)CCC[NH3+] ZINC001218894810 978858213 /nfs/dbraw/zinc/85/82/13/978858213.db2.gz VNFUFUSKZXITQN-JTQLQIEISA-N 1 3 314.411 -0.058 20 0 DBADHO Nc1ccc(OCCO)c(NC(=O)[C@@H](N)C2CC[NH2+]CC2)c1 ZINC001218919329 978859589 /nfs/dbraw/zinc/85/95/89/978859589.db2.gz NBPQWCZNQOUKOJ-AWEZNQCLSA-N 1 3 308.382 -0.095 20 0 DBADHO COC(=O)c1c(O)cccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218988503 978862760 /nfs/dbraw/zinc/86/27/60/978862760.db2.gz WHDACTKICQFTSA-VIFPVBQESA-N 1 3 305.334 -0.074 20 0 DBADHO [NH3+]Cc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)cc1 ZINC001219345560 978918774 /nfs/dbraw/zinc/91/87/74/978918774.db2.gz UBNVHMLOLJLNCA-LBPRGKRZSA-N 1 3 309.391 -0.140 20 0 DBADHO Nc1ccc(-c2nc(=O)on2C(=O)[C@H]2C[NH2+]CC23CNC3)cc1 ZINC001219386397 978930286 /nfs/dbraw/zinc/93/02/86/978930286.db2.gz IXWOLXFMPKZDCQ-LLVKDONJSA-N 1 3 315.333 -0.465 20 0 DBADHO O=C(NCCN1CCCCC1=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001219568028 978968629 /nfs/dbraw/zinc/96/86/29/978968629.db2.gz WKCCOOGMGPECOF-ZDUSSCGKSA-N 1 3 308.426 -0.011 20 0 DBADHO O=C(NCCN1CCCCC1=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001219568028 978968632 /nfs/dbraw/zinc/96/86/32/978968632.db2.gz WKCCOOGMGPECOF-ZDUSSCGKSA-N 1 3 308.426 -0.011 20 0 DBADHO Cc1cccn2c(CNC(=O)[C@]34C[NH2+]C[C@H]3CNCC4)nnc12 ZINC001219597311 978976044 /nfs/dbraw/zinc/97/60/44/978976044.db2.gz HMBDOZBTBYFXNF-MLGOLLRUSA-N 1 3 314.393 -0.147 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611155 978978940 /nfs/dbraw/zinc/97/89/40/978978940.db2.gz WROIBCSFPYPVQR-XCBNKYQSSA-N 1 3 311.308 -0.827 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219614339 978981013 /nfs/dbraw/zinc/98/10/13/978981013.db2.gz XPOCQTWHBOYZIB-PTOFAABTSA-N 1 3 324.347 -0.113 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671779 978991930 /nfs/dbraw/zinc/99/19/30/978991930.db2.gz PUJOULPTAUMPCI-NEPJUHHUSA-N 1 3 305.444 -0.215 20 0 DBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@H]1CC2(C[NH2+]C2)CO1 ZINC001219739061 979004705 /nfs/dbraw/zinc/00/47/05/979004705.db2.gz GHSUESMTSKNBKY-OLZOCXBDSA-N 1 3 312.414 -0.885 20 0 DBADHO CC(=O)NCCCC[C@H](N)C(=O)NC[C@@H]1CC2(C[NH2+]C2)CO1 ZINC001219739062 979005270 /nfs/dbraw/zinc/00/52/70/979005270.db2.gz GHSUESMTSKNBKY-STQMWFEESA-N 1 3 312.414 -0.885 20 0 DBADHO NC(=O)c1ccc(C[C@H](N)C(=O)NC[C@]2(F)CCC[NH2+]C2)cc1 ZINC001219768431 979010047 /nfs/dbraw/zinc/01/00/47/979010047.db2.gz MNPGCDXUGLNNHQ-BBRMVZONSA-N 1 3 322.384 -0.137 20 0 DBADHO CC(=O)OC[C@H](N)C(=O)NC1CCN(C2CC[NH2+]CC2)CC1 ZINC001219794274 979016576 /nfs/dbraw/zinc/01/65/76/979016576.db2.gz VTYWFYUNHFOMOY-AWEZNQCLSA-N 1 3 312.414 -0.791 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)cn1 ZINC001219831779 979025775 /nfs/dbraw/zinc/02/57/75/979025775.db2.gz XVXDFPIYOQXDKQ-MQYQWHSLSA-N 1 3 320.393 -0.027 20 0 DBADHO O=C(NC[C@H]1C[C@@H]2C[NH2+]C[C@@H]2O1)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001219831238 979026508 /nfs/dbraw/zinc/02/65/08/979026508.db2.gz CQWSUIWXLXGSJC-SQCNAZHOSA-N 1 3 309.410 -0.362 20 0 DBADHO O=C(NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21)[C@@H]1CC[C@]2(C1)CNCCO2 ZINC001219850214 979031627 /nfs/dbraw/zinc/03/16/27/979031627.db2.gz OAJKBDJCWAVRSO-HNLJFRNMSA-N 1 3 323.437 -0.114 20 0 DBADHO CN[C@@H](COCc1ccccc1)C(=O)N[C@H]1CO[C@@H]2C[NH2+]C[C@H]12 ZINC001219854303 979031765 /nfs/dbraw/zinc/03/17/65/979031765.db2.gz HHVVSNHHQSKANJ-FXUDXRNXSA-N 1 3 319.405 -0.106 20 0 DBADHO [NH3+][C@@H]1CN[C@H](C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC001219940640 979046683 /nfs/dbraw/zinc/04/66/83/979046683.db2.gz ASPNXUDCEDFJJY-KBPBESRZSA-N 1 3 310.442 -0.173 20 0 DBADHO N[C@@H]1C[NH2+][C@H](C(=O)NCC2(N3CCOCC3)CCCCC2)C1 ZINC001219940640 979046697 /nfs/dbraw/zinc/04/66/97/979046697.db2.gz ASPNXUDCEDFJJY-KBPBESRZSA-N 1 3 310.442 -0.173 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945289 979048820 /nfs/dbraw/zinc/04/88/20/979048820.db2.gz GVHZOYKODCGHLV-NEPJUHHUSA-N 1 3 303.428 -0.091 20 0 DBADHO COC(=O)C1(NC(=O)[C@@H]2CNCc3ccnn3C2)CC[NH2+]CC1 ZINC001219999630 979057783 /nfs/dbraw/zinc/05/77/83/979057783.db2.gz ZHLHKUVGFWAMPE-LLVKDONJSA-N 1 3 321.381 -0.986 20 0 DBADHO COC(=O)c1ccnc(CNC(=O)[C@H](N)C2CC[NH2+]CC2)c1 ZINC001220037574 979072691 /nfs/dbraw/zinc/07/26/91/979072691.db2.gz GJEHWGNFRLDBLL-CYBMUJFWSA-N 1 3 306.366 -0.189 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)n2ccc(C[NH3+])cc2=N)COC1(C)C ZINC001220045197 979076734 /nfs/dbraw/zinc/07/67/34/979076734.db2.gz PQHNFJLLHZOOFN-ONGXEEELSA-N 1 3 321.381 -0.623 20 0 DBADHO Cc1ncc(CO)c(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c1[O-] ZINC001220093014 979092639 /nfs/dbraw/zinc/09/26/39/979092639.db2.gz MYLJIIWRKRPAJP-ZDUSSCGKSA-N 1 3 308.382 -0.469 20 0 DBADHO CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)NC(=N)SCC[NH3+] ZINC001220106260 979095136 /nfs/dbraw/zinc/09/51/36/979095136.db2.gz HBXLRKWXWCGWNS-IUCAKERBSA-N 1 3 303.432 -0.393 20 0 DBADHO O=C(NC[C@H](O)c1ccc(O)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220113448 979099711 /nfs/dbraw/zinc/09/97/11/979099711.db2.gz UCTWZEZOYBWSDP-IVMMDQJWSA-N 1 3 305.378 -0.259 20 0 DBADHO O=C(N[C@@H]1CCC[C@]2(CC[NH2+]C2)C1)[C@H]1COC2(CNC2)CN1 ZINC001220164125 979122058 /nfs/dbraw/zinc/12/20/58/979122058.db2.gz YYILHLHPHJJOCG-NFAWXSAZSA-N 1 3 308.426 -0.645 20 0 DBADHO Cn1ccc(CNC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)cc1=O ZINC001220179170 979126540 /nfs/dbraw/zinc/12/65/40/979126540.db2.gz FWAAEXAOEXLHLD-ZDUSSCGKSA-N 1 3 304.394 -0.124 20 0 DBADHO Cn1ccc(CNC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)cc1=O ZINC001220179170 979126554 /nfs/dbraw/zinc/12/65/54/979126554.db2.gz FWAAEXAOEXLHLD-ZDUSSCGKSA-N 1 3 304.394 -0.124 20 0 DBADHO O=C(NCC1(N2CCCC2)COC1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220197571 979134049 /nfs/dbraw/zinc/13/40/49/979134049.db2.gz JZKHWFBIHBEWCR-CZUORRHYSA-N 1 3 308.426 -0.834 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H]1C[C@H]1F ZINC001220212614 979137172 /nfs/dbraw/zinc/13/71/72/979137172.db2.gz PZRARLBPOLVTGF-KXNHARMFSA-N 1 3 300.378 -0.340 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N(CC[NH3+])c2cccnc2)C1=O ZINC001220263790 979148298 /nfs/dbraw/zinc/14/82/98/979148298.db2.gz XWJPKJQWOODVTK-ZDUSSCGKSA-N 1 3 305.382 -0.287 20 0 DBADHO C[C@@]1(C(=O)NCc2ncn3c2CNCCC3)CC[NH2+]C[C@@H]1O ZINC001220311099 979160586 /nfs/dbraw/zinc/16/05/86/979160586.db2.gz KKWALRAFBYZJMK-DZGCQCFKSA-N 1 3 307.398 -0.647 20 0 DBADHO O=C(N[C@H]1CO[C@]2(C1)CCC[NH2+]C2)c1[nH]nc2c1CCNC2 ZINC001220323206 979166340 /nfs/dbraw/zinc/16/63/40/979166340.db2.gz DJXDHRPDFWBYQR-BMIGLBTASA-N 1 3 305.382 -0.304 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N[C@@H]2CO[C@]3(C2)CCC[NH2+]C3)C1=O ZINC001220321047 979166420 /nfs/dbraw/zinc/16/64/20/979166420.db2.gz RRDVSGKQADNLGW-XEZPLFJOSA-N 1 3 324.425 -0.647 20 0 DBADHO O=C(N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2)c1[nH]nc2c1CCNC2 ZINC001220323207 979167596 /nfs/dbraw/zinc/16/75/96/979167596.db2.gz DJXDHRPDFWBYQR-BONVTDFDSA-N 1 3 305.382 -0.304 20 0 DBADHO COC(=O)C[C@H](NC(=O)[C@@H](N)CCC[NH3+])C(=O)OC(C)(C)C ZINC001220378459 979180734 /nfs/dbraw/zinc/18/07/34/979180734.db2.gz AIXAKNJJGYKCJB-UWVGGRQHSA-N 1 3 317.386 -0.558 20 0 DBADHO O=C(NC[C@@H](CO)Cc1ccccc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220405844 979192439 /nfs/dbraw/zinc/19/24/39/979192439.db2.gz DVXOZTFCIBDWHO-GJZGRUSLSA-N 1 3 303.406 -0.237 20 0 DBADHO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H](N)Cc2c[nH]cn2)O1 ZINC001220481945 979209818 /nfs/dbraw/zinc/20/98/18/979209818.db2.gz WSUZWWLNEPWQGA-SFTQSGBHSA-N 1 3 311.386 -0.880 20 0 DBADHO CN[C@H](C(=O)NCCOCCOCC[NH3+])[C@@H](C)OC(C)(C)C ZINC001220519346 979222308 /nfs/dbraw/zinc/22/23/08/979222308.db2.gz KWSRMJSSUYJVSI-OLZOCXBDSA-N 1 3 319.446 -0.114 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H](N)Cc2cncn2C)CC[NH2+]C1 ZINC001220521980 979223384 /nfs/dbraw/zinc/22/33/84/979223384.db2.gz WCBIKQUTKMOYDU-LBPRGKRZSA-N 1 3 321.381 -0.783 20 0 DBADHO CCOC(=O)C1=C(NC(=O)C[C@H]2C[C@H]3C[NH2+]C[C@H]3O2)CCNC1 ZINC001220521463 979224809 /nfs/dbraw/zinc/22/48/09/979224809.db2.gz GYIHEQDEGFRQFM-MISXGVKJSA-N 1 3 323.393 -0.320 20 0 DBADHO CCOC(=O)C1=C(NC(=O)CN2CCC[C@@H]([NH2+]C)C2)CCNC1 ZINC001220523174 979226642 /nfs/dbraw/zinc/22/66/42/979226642.db2.gz KVBCPYLUWGVDRG-GFCCVEGCSA-N 1 3 324.425 -0.403 20 0 DBADHO CCOC(=O)C1=C(NC(=O)CN2CCC[C@H]([NH2+]C)C2)CCNC1 ZINC001220523175 979229138 /nfs/dbraw/zinc/22/91/38/979229138.db2.gz KVBCPYLUWGVDRG-LBPRGKRZSA-N 1 3 324.425 -0.403 20 0 DBADHO N[C@@H](C(=O)NCc1ccccc1-n1cnnn1)C1CC[NH2+]CC1 ZINC001220670397 979264534 /nfs/dbraw/zinc/26/45/34/979264534.db2.gz JIOZQYJYZOYPFV-CQSZACIVSA-N 1 3 315.381 -0.395 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)NC[C@@H]1CC[NH2+][C@H]1c1cccnc1 ZINC001220788822 979283750 /nfs/dbraw/zinc/28/37/50/979283750.db2.gz GSNUEUYZSNMZFH-RMVXASLFSA-N 1 3 324.450 -0.056 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220799792 979288088 /nfs/dbraw/zinc/28/80/88/979288088.db2.gz HEPBWVPSGWXHNX-VWYCJHECSA-N 1 3 319.331 -0.054 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220800269 979290579 /nfs/dbraw/zinc/29/05/79/979290579.db2.gz OALVVHICAYUFHA-CIUDSAMLSA-N 1 3 311.304 -0.077 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220804824 979291504 /nfs/dbraw/zinc/29/15/04/979291504.db2.gz PVHKQZVKCNWTBT-XSPKLOCKSA-N 1 3 310.320 -0.505 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220804823 979291976 /nfs/dbraw/zinc/29/19/76/979291976.db2.gz PVHKQZVKCNWTBT-RBXMUDONSA-N 1 3 310.320 -0.505 20 0 DBADHO COc1ccc(CNC(=O)[C@@H](N)CSCC[NH3+])c(OC)n1 ZINC001220823601 979292974 /nfs/dbraw/zinc/29/29/74/979292974.db2.gz OVMUNTSABRKCHF-JTQLQIEISA-N 1 3 314.411 -0.266 20 0 DBADHO [NH3+]Cc1ccccc1CNC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220855306 979306144 /nfs/dbraw/zinc/30/61/44/979306144.db2.gz TZRGZDUUYOLWMZ-CYBMUJFWSA-N 1 3 323.418 -0.462 20 0 DBADHO CCOC(=O)C1(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CNC1 ZINC001220851270 979307394 /nfs/dbraw/zinc/30/73/94/979307394.db2.gz OHRJCASCZKZBFW-CYBMUJFWSA-N 1 3 303.362 -0.278 20 0 DBADHO CS(=O)(=O)N1CCC(CNC(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC001220926581 979325893 /nfs/dbraw/zinc/32/58/93/979325893.db2.gz SALCSQAIGYXAMB-LBPRGKRZSA-N 1 3 320.459 -0.770 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)NCC1CCN(c2ncccn2)CC1 ZINC001220929857 979326125 /nfs/dbraw/zinc/32/61/25/979326125.db2.gz HOTKJBAIQQVGNT-ZDUSSCGKSA-N 1 3 306.414 -0.125 20 0 DBADHO CN[C@@H](CC(=O)OC(C)(C)C)C(=O)NCCO[C@H]1CC[NH2+]C1 ZINC001220936981 979331141 /nfs/dbraw/zinc/33/11/41/979331141.db2.gz LCTHPRGTJCMJMT-RYUDHWBXSA-N 1 3 315.414 -0.199 20 0 DBADHO COCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220976004 979335366 /nfs/dbraw/zinc/33/53/66/979335366.db2.gz FJNVSDCCLSSTKT-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO COCCCCCN1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976004 979335379 /nfs/dbraw/zinc/33/53/79/979335379.db2.gz FJNVSDCCLSSTKT-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO CCOC(=O)[C@@H]1CCOC[C@@H]1NC(=O)[C@H](N)C1CC[NH2+]CC1 ZINC001220961071 979338726 /nfs/dbraw/zinc/33/87/26/979338726.db2.gz YXRGKHXMWFHUSY-FRRDWIJNSA-N 1 3 313.398 -0.602 20 0 DBADHO COc1cc(C)[nH]c(=O)c1CNC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221016686 979348333 /nfs/dbraw/zinc/34/83/33/979348333.db2.gz ZDWSJCCVRHJGLS-NSHDSACASA-N 1 3 306.366 -0.471 20 0 DBADHO O=C(N[C@H]1CC[C@H](N2CCOCC2)CC1)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001221056651 979356493 /nfs/dbraw/zinc/35/64/93/979356493.db2.gz XBPIQUHLURQWHO-KCYZZUKISA-N 1 3 322.453 -0.303 20 0 DBADHO COC(=O)[C@](C)(NC(=O)[C@H]1C[NH2+]CC12CNC2)C(F)(F)F ZINC001221218963 979385029 /nfs/dbraw/zinc/38/50/29/979385029.db2.gz JXHXSPDLDFXRLR-XCBNKYQSSA-N 1 3 309.288 -0.594 20 0 DBADHO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221244258 979389447 /nfs/dbraw/zinc/38/94/47/979389447.db2.gz UKHJAZIPRIREFX-TYCJUYHCSA-N 1 3 321.421 -0.111 20 0 DBADHO COC(=O)[C@H]1C2CCC(CC2)[C@@H]1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001221244257 979391727 /nfs/dbraw/zinc/39/17/27/979391727.db2.gz UKHJAZIPRIREFX-LSUUEXMVSA-N 1 3 321.421 -0.111 20 0 DBADHO N[C@H](C(=O)NCCNC(=O)c1cccs1)C1CC[NH2+]CC1 ZINC001221309188 979399542 /nfs/dbraw/zinc/39/95/42/979399542.db2.gz KDYJETCRVLQJFV-LBPRGKRZSA-N 1 3 310.423 -0.079 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NCCNC(=O)c1cccs1 ZINC001221309799 979400005 /nfs/dbraw/zinc/40/00/05/979400005.db2.gz WBPTVKITVWEOKH-VIFPVBQESA-N 1 3 316.452 -0.387 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@H]1c2ccccc2NC1=O ZINC001221309999 979401324 /nfs/dbraw/zinc/40/13/24/979401324.db2.gz ZTEOCISHODHLDO-QWRGUYRKSA-N 1 3 308.407 -0.142 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1Cc2ccccc2CN1 ZINC001221398904 979413274 /nfs/dbraw/zinc/41/32/74/979413274.db2.gz JVDGYYYKEFUORD-GJZGRUSLSA-N 1 3 316.405 -0.315 20 0 DBADHO CC(=O)O[C@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221399739 979413855 /nfs/dbraw/zinc/41/38/55/979413855.db2.gz STNFGKWZRLRDNU-XHSDSOJGSA-N 1 3 317.389 -0.032 20 0 DBADHO C[NH+]1CCC(CO)(NC(=O)[C@@H](N)Cc2cccc(O)c2)CC1 ZINC001221403367 979414067 /nfs/dbraw/zinc/41/40/67/979414067.db2.gz SIOXSFPRUOLOIZ-AWEZNQCLSA-N 1 3 307.394 -0.165 20 0 DBADHO CN1CCC(CO)(NC(=O)[C@@H]2CCCN([C@H]3CC[NH2+]C3)C2)CC1 ZINC001221402933 979415347 /nfs/dbraw/zinc/41/53/47/979415347.db2.gz NWYGCZFEXPKRDW-CABCVRRESA-N 1 3 324.469 -0.367 20 0 DBADHO N[C@H]1CCCCN(CC(=O)N[C@H](C2CCC2)C2C[NH2+]C2)C1=O ZINC001221409752 979418524 /nfs/dbraw/zinc/41/85/24/979418524.db2.gz OKQJMEYMNFXHRX-DZGCQCFKSA-N 1 3 308.426 -0.170 20 0 DBADHO [NH3+]CCNC(=O)c1cccc(CN2CC3(C2)CNCCO3)c1 ZINC001222441923 979510931 /nfs/dbraw/zinc/51/09/31/979510931.db2.gz XHOWMQJRWZNMJG-UHFFFAOYSA-N 1 3 304.394 -0.451 20 0 DBADHO COC(=O)[C@H]1CNCCN1Cc1cccc(C(=O)NCC[NH3+])c1 ZINC001222420129 979511090 /nfs/dbraw/zinc/51/10/90/979511090.db2.gz AIXRYWBAAUNJAU-CQSZACIVSA-N 1 3 320.393 -0.678 20 0 DBADHO CN(CCNC(=O)C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC001325820563 979720616 /nfs/dbraw/zinc/72/06/16/979720616.db2.gz ARXZKKLMHWOZMO-CQSZACIVSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CCNC(=O)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC001325820563 979720619 /nfs/dbraw/zinc/72/06/19/979720619.db2.gz ARXZKKLMHWOZMO-CQSZACIVSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCOCCO)C1 ZINC001326224135 979731828 /nfs/dbraw/zinc/73/18/28/979731828.db2.gz LKGSJZCMKLYTMO-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO CO[C@H](C)CNC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC001347355203 980215490 /nfs/dbraw/zinc/21/54/90/980215490.db2.gz AGFVYAPJMGOENQ-GFCCVEGCSA-N 1 3 302.419 -0.911 20 0 DBADHO CC(C)(CNC(=O)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CCCCC1 ZINC001349983535 980530211 /nfs/dbraw/zinc/53/02/11/980530211.db2.gz UPDYJUXFVZGVPB-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C12CC(C1)C[NH2+]2 ZINC001353527628 980807401 /nfs/dbraw/zinc/80/74/01/980807401.db2.gz WIOBRPAVGHYFFN-MFOWVQHXSA-N 1 3 308.426 -0.203 20 0 DBADHO COCCN1CC[C@H](NC(=O)[C@@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001357396958 981053786 /nfs/dbraw/zinc/05/37/86/981053786.db2.gz MJDYJLHCSMMBGP-STQMWFEESA-N 1 3 312.414 -0.979 20 0 DBADHO CN1CCN(Cc2ccc(CNC(=O)CNCC[NH3+])cc2)CC1 ZINC001357431179 981059492 /nfs/dbraw/zinc/05/94/92/981059492.db2.gz PJMBEKRMXKXKNL-UHFFFAOYSA-N 1 3 319.453 -0.402 20 0 DBADHO COCCNCC(=O)N1CCc2[nH]cnc2C12CC[NH2+]CC2 ZINC001358052385 981110996 /nfs/dbraw/zinc/11/09/96/981110996.db2.gz VMEUVIATTQDPBX-UHFFFAOYSA-N 1 3 307.398 -0.391 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001530648441 1014760718 /nfs/dbraw/zinc/76/07/18/1014760718.db2.gz FRLJRVWSMNZDFF-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC(NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001530648441 1014760725 /nfs/dbraw/zinc/76/07/25/1014760725.db2.gz FRLJRVWSMNZDFF-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1C[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C(C)(C)C1 ZINC001363618749 982538856 /nfs/dbraw/zinc/53/88/56/982538856.db2.gz PVWXFALRIMCSJI-CHWSQXEVSA-N 1 3 310.442 -0.147 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([N@H+](CCO)C[C@H](C)O)C1 ZINC001365879494 983570519 /nfs/dbraw/zinc/57/05/19/983570519.db2.gz XLZNHVFYHIKJSG-GJZGRUSLSA-N 1 3 315.458 -0.006 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([N@@H+](CCO)C[C@H](C)O)C1 ZINC001365879494 983570526 /nfs/dbraw/zinc/57/05/26/983570526.db2.gz XLZNHVFYHIKJSG-GJZGRUSLSA-N 1 3 315.458 -0.006 20 0 DBADHO C[C@@H](N[C@H]1CCN(C(=O)CCC[NH+](C)C)C1)C(=O)NC(N)=O ZINC001366096697 983689402 /nfs/dbraw/zinc/68/94/02/983689402.db2.gz BFTYJWXPFVYALT-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO CN(C(=O)C[NH2+][C@H]1CCN(C(=O)CN2CCCC2)C1)C1CC1 ZINC001366103353 983698229 /nfs/dbraw/zinc/69/82/29/983698229.db2.gz OGOIOJJGYHGMJD-ZDUSSCGKSA-N 1 3 308.426 -0.107 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001366124922 983709627 /nfs/dbraw/zinc/70/96/27/983709627.db2.gz MUVBHLAHHUZSHY-NAKRPEOUSA-N 1 3 313.402 -0.853 20 0 DBADHO CCCNC(=O)CN[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001366272319 983768401 /nfs/dbraw/zinc/76/84/01/983768401.db2.gz DTCDAQLIEUYZML-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C ZINC001366822081 984007498 /nfs/dbraw/zinc/00/74/98/984007498.db2.gz MJPWLEXTUUZBJQ-GHMZBOCLSA-N 1 3 315.418 -0.781 20 0 DBADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001366855300 984024862 /nfs/dbraw/zinc/02/48/62/984024862.db2.gz TYMFXEHVOAIBSE-KBPBESRZSA-N 1 3 310.442 -0.146 20 0 DBADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001366855300 984024877 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RWPXBWOSLOSNMH-AIEDFZFUSA-N 1 3 322.453 -0.006 20 0 DBADHO CCN1CC[C@@H](N[C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001376857035 990353356 /nfs/dbraw/zinc/35/33/56/990353356.db2.gz UOGZCFUMIAZFNI-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO COC[C@H](O)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)N(C)C)C1 ZINC001376900399 990376172 /nfs/dbraw/zinc/37/61/72/990376172.db2.gz GNJORQMVOYUWIC-MJBXVCDLSA-N 1 3 301.431 -0.230 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H](C[NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001376952569 990398694 /nfs/dbraw/zinc/39/86/94/990398694.db2.gz DOURHXMEMAUXRY-MCIONIFRSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@H](C(=O)NC1(C[NH2+][C@@H](C)C(N)=O)CCOCC1)N(C)C ZINC001377198189 990481015 /nfs/dbraw/zinc/48/10/15/990481015.db2.gz NHPZVPDWKBQVHR-NWDGAFQWSA-N 1 3 314.430 -0.545 20 0 DBADHO CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)C(C)C ZINC001491681742 1015566318 /nfs/dbraw/zinc/56/63/18/1015566318.db2.gz HFTSZDVCVWXQBA-NSHDSACASA-N 1 3 315.418 -0.733 20 0 DBADHO COC[C@@H](O)C[NH2+]C1(C)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001377306930 990527044 /nfs/dbraw/zinc/52/70/44/990527044.db2.gz UUDWUMDDTVYLOT-ZDUSSCGKSA-N 1 3 310.398 -0.070 20 0 DBADHO COCCN1CCC(CO)(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001377565787 990656689 /nfs/dbraw/zinc/65/66/89/990656689.db2.gz KYAKHHUVMWBJFV-UHFFFAOYSA-N 1 3 313.442 -0.082 20 0 DBADHO COC[C@H](C)N1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001377580000 990663910 /nfs/dbraw/zinc/66/39/10/990663910.db2.gz PYNRQPXITOXEEZ-UONOGXRCSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@H](C)N1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001377580000 990663916 /nfs/dbraw/zinc/66/39/16/990663916.db2.gz PYNRQPXITOXEEZ-UONOGXRCSA-N 1 3 313.442 -0.084 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@H]1CCNC1=O ZINC001377582319 990665796 /nfs/dbraw/zinc/66/57/96/990665796.db2.gz XFWRVFHQCDUUSL-RYUDHWBXSA-N 1 3 302.394 -0.397 20 0 DBADHO CNC(=O)CN1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001377717275 990705263 /nfs/dbraw/zinc/70/52/63/990705263.db2.gz WVSRZASBAJPPTB-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CNC(=O)CN1CC[C@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001377717275 990705266 /nfs/dbraw/zinc/70/52/66/990705266.db2.gz WVSRZASBAJPPTB-UONOGXRCSA-N 1 3 310.442 -0.098 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@H+](C)[C@H]2CCNC2=O)C1 ZINC001377761859 990724458 /nfs/dbraw/zinc/72/44/58/990724458.db2.gz QCAAWEZWVGBZCE-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H](C[N@@H+](C)[C@H]2CCNC2=O)C1 ZINC001377761859 990724465 /nfs/dbraw/zinc/72/44/65/990724465.db2.gz QCAAWEZWVGBZCE-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](NC(=O)CN(C)C1CCC1)[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001377806204 990741156 /nfs/dbraw/zinc/74/11/56/990741156.db2.gz LJSZPBTYAPQBGW-UWVGGRQHSA-N 1 3 313.402 -0.852 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001377821776 990745699 /nfs/dbraw/zinc/74/56/99/990745699.db2.gz JUPBBZVNNMXOKY-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001377821776 990745704 /nfs/dbraw/zinc/74/57/04/990745704.db2.gz JUPBBZVNNMXOKY-ZNMIVQPWSA-N 1 3 313.442 -0.084 20 0 DBADHO C[NH+](C)CCC(=O)N[C@@H]1CCCN(C[C@@H](O)Cn2cccn2)C1 ZINC001377874928 990768034 /nfs/dbraw/zinc/76/80/34/990768034.db2.gz RKTFPIKRHGXBIF-HUUCEWRRSA-N 1 3 323.441 -0.224 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001377918499 990795725 /nfs/dbraw/zinc/79/57/25/990795725.db2.gz VGHMIPZUUREQNT-ZJUUUORDSA-N 1 3 301.391 -0.996 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001377918470 990796227 /nfs/dbraw/zinc/79/62/27/990796227.db2.gz VGHMIPZUUREQNT-NXEZZACHSA-N 1 3 301.391 -0.996 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@H]1CCN(C[C@@H](O)COC)C1 ZINC001378185639 990876521 /nfs/dbraw/zinc/87/65/21/990876521.db2.gz ALQPOOBSORAZFN-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@H]1CCN(C[C@@H](O)COC)C1 ZINC001378185639 990876522 /nfs/dbraw/zinc/87/65/22/990876522.db2.gz ALQPOOBSORAZFN-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO COc1cccc(C[C@H](N)C(=O)N[C@H]2COC3(C[NH2+]C3)C2)c1 ZINC001548568252 1015597853 /nfs/dbraw/zinc/59/78/53/1015597853.db2.gz GACNCPPTNWXZMM-OCCSQVGLSA-N 1 3 305.378 -0.188 20 0 DBADHO C[C@H]1CN(C(=O)Cc2c[nH]cn2)CC[C@@H]1[NH2+]CC(=O)N(C)C ZINC001378893198 991231377 /nfs/dbraw/zinc/23/13/77/991231377.db2.gz AUAAFSOVZHYDLV-AAEUAGOBSA-N 1 3 307.398 -0.133 20 0 DBADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001378931037 991240697 /nfs/dbraw/zinc/24/06/97/991240697.db2.gz AKYVWKRZWOVCMJ-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)[C@@H](C)N(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001378931037 991240704 /nfs/dbraw/zinc/24/07/04/991240704.db2.gz AKYVWKRZWOVCMJ-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001378931044 991241381 /nfs/dbraw/zinc/24/13/81/991241381.db2.gz AKYVWKRZWOVCMJ-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)[C@H](C)N(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001378931044 991241394 /nfs/dbraw/zinc/24/13/94/991241394.db2.gz AKYVWKRZWOVCMJ-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC001548655744 1015624706 /nfs/dbraw/zinc/62/47/06/1015624706.db2.gz UDIWDAWQGJXHRY-PMPSAXMXSA-N 1 3 322.453 -0.445 20 0 DBADHO C[C@@H]1CN2CC[N@H+]1C[C@H]2C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC001548655744 1015624719 /nfs/dbraw/zinc/62/47/19/1015624719.db2.gz UDIWDAWQGJXHRY-PMPSAXMXSA-N 1 3 322.453 -0.445 20 0 DBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001379095840 991327711 /nfs/dbraw/zinc/32/77/11/991327711.db2.gz GRLJZGIJHIDKOI-KBPBESRZSA-N 1 3 301.431 -0.274 20 0 DBADHO COC[C@@H](O)CN(C)CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001379095840 991327720 /nfs/dbraw/zinc/32/77/20/991327720.db2.gz GRLJZGIJHIDKOI-KBPBESRZSA-N 1 3 301.431 -0.274 20 0 DBADHO C[C@H](CN(C)C(=O)c1ccn(CC[NH+](C)C)n1)N[C@H](C)C(N)=O ZINC001379133759 991349986 /nfs/dbraw/zinc/34/99/86/991349986.db2.gz SKWLJBBRMNJJRN-VXGBXAGGSA-N 1 3 324.429 -0.631 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](O)C[NH2+]C[C@H]1CCc2ncnn21 ZINC001379294021 991523971 /nfs/dbraw/zinc/52/39/71/991523971.db2.gz PVQQSSCAAOLUQQ-CHWSQXEVSA-N 1 3 324.429 -0.828 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+][C@H]1CCCN(C)C1=O ZINC001379299355 991528004 /nfs/dbraw/zinc/52/80/04/991528004.db2.gz XLXNTEWRVIAJHT-STQMWFEESA-N 1 3 314.430 -0.986 20 0 DBADHO C[C@H](CN[C@@H]1CCN(C)C1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001379396631 991627676 /nfs/dbraw/zinc/62/76/76/991627676.db2.gz MAJIKSDZLWLNPJ-CHWSQXEVSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CNCC(=O)N1CCOCC1 ZINC001379446085 991678748 /nfs/dbraw/zinc/67/87/48/991678748.db2.gz INUVSZUZMWEOSD-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CNCC(=O)N1CCOCC1 ZINC001379446085 991678751 /nfs/dbraw/zinc/67/87/51/991678751.db2.gz INUVSZUZMWEOSD-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NC(N)=O ZINC001379470584 991696885 /nfs/dbraw/zinc/69/68/85/991696885.db2.gz XZFNPKADCOABBT-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO CCN(C)C(=O)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCCN1C ZINC001379477412 991707019 /nfs/dbraw/zinc/70/70/19/991707019.db2.gz YHXYTQYGDKMTKG-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H]1[C@H](NCC(=O)N(C)C)CCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001379557738 991789587 /nfs/dbraw/zinc/78/95/87/991789587.db2.gz VGUVLGVYDAPHRD-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NC(N)=O)[C@H]1C ZINC001379566666 991793719 /nfs/dbraw/zinc/79/37/19/991793719.db2.gz ISSXEOBVKGGRJW-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO CN(C[C@@H](O)CN[C@H]1CCCNC1=O)C(=O)CCC[NH+](C)C ZINC001379819131 991937793 /nfs/dbraw/zinc/93/77/93/991937793.db2.gz DZEDVRCPPQPLAM-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO COCCN(CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C[C@H](C)O ZINC001380118023 992156887 /nfs/dbraw/zinc/15/68/87/992156887.db2.gz UXWGVYUXHXIHPP-BFHYXJOUSA-N 1 3 301.431 -0.228 20 0 DBADHO COCCN(CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[C@H](C)O ZINC001380118023 992156896 /nfs/dbraw/zinc/15/68/96/992156896.db2.gz UXWGVYUXHXIHPP-BFHYXJOUSA-N 1 3 301.431 -0.228 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)C2)nn1 ZINC001549124767 1015705462 /nfs/dbraw/zinc/70/54/62/1015705462.db2.gz RQTGRDUJLZMSDT-NJZAAPMLSA-N 1 3 320.397 -0.864 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001380779027 992536521 /nfs/dbraw/zinc/53/65/21/992536521.db2.gz GPIZJWNPPIIMOD-NWDGAFQWSA-N 1 3 307.398 -0.085 20 0 DBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001380909123 992583719 /nfs/dbraw/zinc/58/37/19/992583719.db2.gz LJQQZCBKEQKKTF-CHWSQXEVSA-N 1 3 312.414 -0.837 20 0 DBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001380909123 992583725 /nfs/dbraw/zinc/58/37/25/992583725.db2.gz LJQQZCBKEQKKTF-CHWSQXEVSA-N 1 3 312.414 -0.837 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCC(=O)NC3CC3)C2)C1 ZINC001380911820 992585493 /nfs/dbraw/zinc/58/54/93/992585493.db2.gz FKNPSIUKNWDPMO-TZMCWYRMSA-N 1 3 324.425 -0.966 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCO[C@H](CNCC(=O)NC3CC3)C2)C1 ZINC001380911820 992585503 /nfs/dbraw/zinc/58/55/03/992585503.db2.gz FKNPSIUKNWDPMO-TZMCWYRMSA-N 1 3 324.425 -0.966 20 0 DBADHO CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H](CNCC(N)=O)C1CC1 ZINC001382016441 992958012 /nfs/dbraw/zinc/95/80/12/992958012.db2.gz FNLGZLRSICXTJC-KBPBESRZSA-N 1 3 308.426 -0.360 20 0 DBADHO CN(C(=O)C12CC[NH+](CC1)C2)[C@H](CN[C@H]1CCNC1=O)C1CC1 ZINC001382030525 992962073 /nfs/dbraw/zinc/96/20/73/992962073.db2.gz IONUYQNXTCKLBU-UONOGXRCSA-N 1 3 320.437 -0.203 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001382147142 993007667 /nfs/dbraw/zinc/00/76/67/993007667.db2.gz CFZPKGMXIYEZMA-CHWSQXEVSA-N 1 3 319.471 -0.191 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001382147142 993007671 /nfs/dbraw/zinc/00/76/71/993007671.db2.gz CFZPKGMXIYEZMA-CHWSQXEVSA-N 1 3 319.471 -0.191 20 0 DBADHO CCCN(C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001382161769 993012050 /nfs/dbraw/zinc/01/20/50/993012050.db2.gz RABKHTGOJALQLF-MNOVXSKESA-N 1 3 315.418 -0.652 20 0 DBADHO COC[C@@H](C)[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001382243722 993084947 /nfs/dbraw/zinc/08/49/47/993084947.db2.gz LHNYBWQBRWWRQS-CHWSQXEVSA-N 1 3 301.431 -0.038 20 0 DBADHO COC[C@H](C)[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001382243728 993084970 /nfs/dbraw/zinc/08/49/70/993084970.db2.gz LHNYBWQBRWWRQS-QWHCGFSZSA-N 1 3 301.431 -0.038 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](CO)[NH2+]Cc1ccn(C)c(=O)c1 ZINC001382277835 993118220 /nfs/dbraw/zinc/11/82/20/993118220.db2.gz AKUQQDNWXCMETB-CQSZACIVSA-N 1 3 324.425 -0.708 20 0 DBADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382447093 993269494 /nfs/dbraw/zinc/26/94/94/993269494.db2.gz XAZIJZIWIQWSDL-UKRRQHHQSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C[C@H](O)CNCc1ccccn1)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382447093 993269506 /nfs/dbraw/zinc/26/95/06/993269506.db2.gz XAZIJZIWIQWSDL-UKRRQHHQSA-N 1 3 306.410 -0.058 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@H]2CC23CC[NH2+]CC3)CC1=O ZINC001550089997 1015788397 /nfs/dbraw/zinc/78/83/97/1015788397.db2.gz ZIDIPLKMLBXGPO-UONOGXRCSA-N 1 3 322.453 -0.098 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)CO[C@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097172 1015792052 /nfs/dbraw/zinc/79/20/52/1015792052.db2.gz ALBJHPHBAMDFIO-OLZOCXBDSA-N 1 3 308.386 -0.721 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NC[C@H]1Cc2ccccc2CN1 ZINC001550114954 1015795808 /nfs/dbraw/zinc/79/58/08/1015795808.db2.gz JVDGYYYKEFUORD-HUUCEWRRSA-N 1 3 316.405 -0.315 20 0 DBADHO O=C(C1C[NH+](C2CCOCC2)C1)N1CCN2C[C@@H](O)C[C@@H]2C1 ZINC001550323892 1015801174 /nfs/dbraw/zinc/80/11/74/1015801174.db2.gz AJRLITNNJDBOQL-CABCVRRESA-N 1 3 309.410 -0.625 20 0 DBADHO Cn1nccc1[C@H]1[C@@H](NC[C@@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1C ZINC001550436761 1015806259 /nfs/dbraw/zinc/80/62/59/1015806259.db2.gz PITIDOJZQRFNGD-SLEUVZQESA-N 1 3 319.409 -0.340 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN([C@@H]2C[C@@H]([NH3+])C[C@@H]2O)CC1 ZINC001550438013 1015807104 /nfs/dbraw/zinc/80/71/04/1015807104.db2.gz MPXZYVLOLWCFTE-MCIONIFRSA-N 1 3 310.442 -0.357 20 0 DBADHO C[NH+]1CCC(n2cc(NC(=O)N3CCNC[C@H](O)C3)cn2)CC1 ZINC001550748381 1015812652 /nfs/dbraw/zinc/81/26/52/1015812652.db2.gz RXKORJCVJNZIGQ-AWEZNQCLSA-N 1 3 322.413 -0.052 20 0 DBADHO O=C(N[C@@H]1C[NH2+]CC2(CCOCC2)C1)N1CCNC[C@H](O)C1 ZINC001550764297 1015813100 /nfs/dbraw/zinc/81/31/00/1015813100.db2.gz MOUOXQCXOZIVLC-STQMWFEESA-N 1 3 312.414 -0.879 20 0 DBADHO O=C(NC[C@H]1CNCCO1)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001550755569 1015813162 /nfs/dbraw/zinc/81/31/62/1015813162.db2.gz JATOZAQQNKUKMZ-QWHCGFSZSA-N 1 3 312.414 -0.567 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCN1C(=O)CC[NH+](C)C ZINC001400468496 994167465 /nfs/dbraw/zinc/16/74/65/994167465.db2.gz GBMJOWVAZSTKJT-GFCCVEGCSA-N 1 3 307.398 -0.071 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCN[C@H](C)[C@@H]2C)nn1 ZINC001552164303 1015843706 /nfs/dbraw/zinc/84/37/06/1015843706.db2.gz SAWSDRLGUSSHRD-GFQSEFKGSA-N 1 3 322.413 -0.811 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N[C@H]2CCCN(C)C2)nn1 ZINC001552169120 1015844625 /nfs/dbraw/zinc/84/46/25/1015844625.db2.gz WCQFDEFFFDOTLM-SGMGOOAPSA-N 1 3 322.413 -0.810 20 0 DBADHO CCN1CCN(CCNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC001552168037 1015844817 /nfs/dbraw/zinc/84/48/17/1015844817.db2.gz LXMBKDILXXQRJN-CYBMUJFWSA-N 1 3 321.429 -0.820 20 0 DBADHO Cc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)nnn1[C@@H]1CC[NH2+]C1 ZINC001552436644 1015860163 /nfs/dbraw/zinc/86/01/63/1015860163.db2.gz AJJVXFQBBFBNKQ-OLZOCXBDSA-N 1 3 322.413 -0.476 20 0 DBADHO Cc1c(C(=O)N2CCO[C@@H](CN(C)C)C2)nnn1[C@H]1CC[NH2+]C1 ZINC001552436648 1015860467 /nfs/dbraw/zinc/86/04/67/1015860467.db2.gz AJJVXFQBBFBNKQ-STQMWFEESA-N 1 3 322.413 -0.476 20 0 DBADHO CC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](N(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001552610656 1015864815 /nfs/dbraw/zinc/86/48/15/1015864815.db2.gz YCPMGCAQFOQQDM-IHRRRGAJSA-N 1 3 321.429 -0.131 20 0 DBADHO CC[N@H+]1CC[C@H](NC(=O)N2C[C@H](N(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001552610656 1015864820 /nfs/dbraw/zinc/86/48/20/1015864820.db2.gz YCPMGCAQFOQQDM-IHRRRGAJSA-N 1 3 321.429 -0.131 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@H](O)CNCc1ccnn1C)[NH+](C)C ZINC001401542500 994629308 /nfs/dbraw/zinc/62/93/08/994629308.db2.gz HWRNYPWLRSVRNV-ZIAGYGMSSA-N 1 3 311.430 -0.427 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1)N(C)C ZINC001401554805 994642534 /nfs/dbraw/zinc/64/25/34/994642534.db2.gz KZENKLLQNGBZEQ-KBPBESRZSA-N 1 3 301.431 -0.180 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@@H](O)CNCC(=O)N1CCCCC1 ZINC001401559909 994652480 /nfs/dbraw/zinc/65/24/80/994652480.db2.gz QSMRCMFKQOACQB-ZDUSSCGKSA-N 1 3 314.430 -0.983 20 0 DBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001401618595 994702862 /nfs/dbraw/zinc/70/28/62/994702862.db2.gz MBLDONCKRRFFRY-VXGBXAGGSA-N 1 3 322.413 -0.959 20 0 DBADHO C[C@H](CN[C@@H]1CCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001401652917 994729765 /nfs/dbraw/zinc/72/97/65/994729765.db2.gz DZUZJEDCZXLSDC-DGCLKSJQSA-N 1 3 312.414 -0.920 20 0 DBADHO CN1CCN(C(=O)c2ccc3c(c2)CNCCO3)[C@@H](C[NH3+])C1 ZINC001553357642 1015886127 /nfs/dbraw/zinc/88/61/27/1015886127.db2.gz FSTSFNQWYWWIQY-AWEZNQCLSA-N 1 3 304.394 -0.117 20 0 DBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001401701333 994765771 /nfs/dbraw/zinc/76/57/71/994765771.db2.gz DFAMWPSVHGFJRC-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO Cn1cnc([C@H]2CN(C(=O)NC[C@H]3CCCN3C)C[C@@H]2[NH3+])c1 ZINC001553433990 1015891749 /nfs/dbraw/zinc/89/17/49/1015891749.db2.gz GRJYRNDWDDGMJF-AGIUHOORSA-N 1 3 306.414 -0.050 20 0 DBADHO CN(C)C(=O)CNC[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001401847100 994826210 /nfs/dbraw/zinc/82/62/10/994826210.db2.gz HGXUFOOYQBNXPS-ZDUSSCGKSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1 ZINC001401858433 994832302 /nfs/dbraw/zinc/83/23/02/994832302.db2.gz BPEWXUQSPNHYBT-LLVKDONJSA-N 1 3 313.402 -0.994 20 0 DBADHO Cn1cnc([C@H]2CN(C(=O)N[C@H]3CCCN(C)C3)C[C@H]2[NH3+])c1 ZINC001553441640 1015893379 /nfs/dbraw/zinc/89/33/79/1015893379.db2.gz WZSCAQHMDBMNJQ-RWMBFGLXSA-N 1 3 306.414 -0.050 20 0 DBADHO CC[C@H](C(=O)NCC1([NH2+]C[C@@H](C)O)CCOCC1)N(C)C ZINC001402247460 995000691 /nfs/dbraw/zinc/00/06/91/995000691.db2.gz QAUAQAZFYDOBSJ-CHWSQXEVSA-N 1 3 301.431 -0.038 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001402425971 995130035 /nfs/dbraw/zinc/13/00/35/995130035.db2.gz WKRPVWULAANSDB-HZSPNIEDSA-N 1 3 308.426 -0.393 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001402425971 995130038 /nfs/dbraw/zinc/13/00/38/995130038.db2.gz WKRPVWULAANSDB-HZSPNIEDSA-N 1 3 308.426 -0.393 20 0 DBADHO CC[C@H](C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O)N(C)C ZINC001402466540 995156297 /nfs/dbraw/zinc/15/62/97/995156297.db2.gz CXHFCBFSVLLVBG-QWHCGFSZSA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001402775751 995278156 /nfs/dbraw/zinc/27/81/56/995278156.db2.gz UYYPIKICORVDPM-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001402899523 995329622 /nfs/dbraw/zinc/32/96/22/995329622.db2.gz ZQDITIKJLAWNRV-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)NCC(=O)NC(N)=O ZINC001402899523 995329628 /nfs/dbraw/zinc/32/96/28/995329628.db2.gz ZQDITIKJLAWNRV-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)N[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001402982691 995364893 /nfs/dbraw/zinc/36/48/93/995364893.db2.gz OXJRSBHIOFTXSD-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H]([NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001403074619 995397815 /nfs/dbraw/zinc/39/78/15/995397815.db2.gz YNUBLPATJPCWCT-VHSXEESVSA-N 1 3 313.402 -0.852 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001403153939 995428788 /nfs/dbraw/zinc/42/87/88/995428788.db2.gz ARLXYAHJZDVFCI-GHMZBOCLSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](O)CN1CC([C@@H](C)NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001403328393 995486908 /nfs/dbraw/zinc/48/69/08/995486908.db2.gz OWHWFPQQBGAYRK-CHWSQXEVSA-N 1 3 313.442 -0.086 20 0 DBADHO CCCN(C)CC(=O)N(C)C[C@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001403878886 995752041 /nfs/dbraw/zinc/75/20/41/995752041.db2.gz WEOSEJNINKLYTL-OLZOCXBDSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCS(C)(=O)=O)C1 ZINC001404002893 995800261 /nfs/dbraw/zinc/80/02/61/995800261.db2.gz IPFVIDAGNSRKSP-BPCQOVAHSA-N 1 3 317.455 -0.296 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N(C)CC[NH2+][C@@H]1CCCNC1=O ZINC001404334109 995857553 /nfs/dbraw/zinc/85/75/53/995857553.db2.gz XXRHUJFKJSBPIZ-QWHCGFSZSA-N 1 3 316.421 -0.007 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N(C)CC[NH2+][C@H]1CCCNC1=O ZINC001404334100 995857728 /nfs/dbraw/zinc/85/77/28/995857728.db2.gz XXRHUJFKJSBPIZ-OLZOCXBDSA-N 1 3 316.421 -0.007 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001389223411 995900569 /nfs/dbraw/zinc/90/05/69/995900569.db2.gz GMBZXLGTSNUIKL-TZMCWYRMSA-N 1 3 310.442 -0.006 20 0 DBADHO CC(C)N(C)CC(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001389223411 995900576 /nfs/dbraw/zinc/90/05/76/995900576.db2.gz GMBZXLGTSNUIKL-TZMCWYRMSA-N 1 3 310.442 -0.006 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001389386186 995962169 /nfs/dbraw/zinc/96/21/69/995962169.db2.gz GUOLMUOPRQWLEM-CABCVRRESA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001389386191 995962393 /nfs/dbraw/zinc/96/23/93/995962393.db2.gz GUOLMUOPRQWLEM-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO CCN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001389683831 996069065 /nfs/dbraw/zinc/06/90/65/996069065.db2.gz FGALHTCGPFIWMG-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C)C(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389683831 996069068 /nfs/dbraw/zinc/06/90/68/996069068.db2.gz FGALHTCGPFIWMG-KGLIPLIRSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001389840606 996116799 /nfs/dbraw/zinc/11/67/99/996116799.db2.gz XGEATHIPRCKKBG-ZIAGYGMSSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@H](C(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001389840606 996116802 /nfs/dbraw/zinc/11/68/02/996116802.db2.gz XGEATHIPRCKKBG-ZIAGYGMSSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001390073858 996179492 /nfs/dbraw/zinc/17/94/92/996179492.db2.gz XWYCGHZFNONDHO-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCN2C)C1 ZINC001390073882 996180073 /nfs/dbraw/zinc/18/00/73/996180073.db2.gz XWYCGHZFNONDHO-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)N[C@@H](C)C(N)=O ZINC001390359194 996232405 /nfs/dbraw/zinc/23/24/05/996232405.db2.gz AVXNKKLFUOIYOU-MNOVXSKESA-N 1 3 310.402 -0.974 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001390482121 996273627 /nfs/dbraw/zinc/27/36/27/996273627.db2.gz OIEVSDZJFUYUEX-OLZOCXBDSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N[C@@H](C)C(=O)NC1CC1 ZINC001390512238 996283726 /nfs/dbraw/zinc/28/37/26/996283726.db2.gz RRJUCTFFAIGXJF-RYUDHWBXSA-N 1 3 308.426 -0.156 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001390512869 996283852 /nfs/dbraw/zinc/28/38/52/996283852.db2.gz YNCKKWPTJPMQPN-CHWSQXEVSA-N 1 3 313.446 -0.308 20 0 DBADHO COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001390756245 996359441 /nfs/dbraw/zinc/35/94/41/996359441.db2.gz JMVUCXFYLKYQJB-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)CN(C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001390756245 996359444 /nfs/dbraw/zinc/35/94/44/996359444.db2.gz JMVUCXFYLKYQJB-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)C[N@@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001391119030 996459815 /nfs/dbraw/zinc/45/98/15/996459815.db2.gz RPVOREOIRDXFSF-UONOGXRCSA-N 1 3 301.431 -0.228 20 0 DBADHO COC[C@H](O)C[N@H+]1CC[C@@H](CNC(=O)CN(C)C(C)C)C1 ZINC001391119030 996459821 /nfs/dbraw/zinc/45/98/21/996459821.db2.gz RPVOREOIRDXFSF-UONOGXRCSA-N 1 3 301.431 -0.228 20 0 DBADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001391223028 996494869 /nfs/dbraw/zinc/49/48/69/996494869.db2.gz WFJZSMVRDAKQHL-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N1CC[C@@H](NCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001391223028 996494872 /nfs/dbraw/zinc/49/48/72/996494872.db2.gz WFJZSMVRDAKQHL-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001493695280 1016041340 /nfs/dbraw/zinc/04/13/40/1016041340.db2.gz OVRQKWHZZKMXET-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1=O ZINC001493695280 1016041357 /nfs/dbraw/zinc/04/13/57/1016041357.db2.gz OVRQKWHZZKMXET-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001391861767 996644173 /nfs/dbraw/zinc/64/41/73/996644173.db2.gz SUGHBQZIVDNNID-CHWSQXEVSA-N 1 3 308.426 -0.203 20 0 DBADHO Cn1cc(CNC[C@H](O)CNC(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001392376847 996846205 /nfs/dbraw/zinc/84/62/05/996846205.db2.gz PTGAQLZPRQAFMR-GJZGRUSLSA-N 1 3 321.425 -0.671 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2cnn(C)c2)CC[N@@H+]1C ZINC001392376345 996847936 /nfs/dbraw/zinc/84/79/36/996847936.db2.gz JUZUWFPHALTRRW-QLFBSQMISA-N 1 3 323.441 -0.283 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@H](O)CNCc2cnn(C)c2)CC[N@H+]1C ZINC001392376345 996847938 /nfs/dbraw/zinc/84/79/38/996847938.db2.gz JUZUWFPHALTRRW-QLFBSQMISA-N 1 3 323.441 -0.283 20 0 DBADHO Cc1cc(CNC[C@H](O)CNC(=O)[C@H]2CCCC[N@@H+]2C)nn1C ZINC001392380335 996850554 /nfs/dbraw/zinc/85/05/54/996850554.db2.gz AETJQQHFHZUSJD-LSDHHAIUSA-N 1 3 323.441 -0.220 20 0 DBADHO Cc1cc(CNC[C@H](O)CNC(=O)[C@H]2CCCC[N@H+]2C)nn1C ZINC001392380335 996850557 /nfs/dbraw/zinc/85/05/57/996850557.db2.gz AETJQQHFHZUSJD-LSDHHAIUSA-N 1 3 323.441 -0.220 20 0 DBADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]C[C@H]1CCOC1)N1CCCC1 ZINC001392388957 996861482 /nfs/dbraw/zinc/86/14/82/996861482.db2.gz HRJJSZZHZBNTSR-ZIAGYGMSSA-N 1 3 313.442 -0.036 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001392479751 996959426 /nfs/dbraw/zinc/95/94/26/996959426.db2.gz KFEHFXGWTSCUSM-MNOVXSKESA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNCC(=O)NC(N)=O ZINC001392479751 996959435 /nfs/dbraw/zinc/95/94/35/996959435.db2.gz KFEHFXGWTSCUSM-MNOVXSKESA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@H](CN[C@H](C)C(=O)NC(N)=O)NC(=O)CCC[NH+](C)C ZINC001392504973 996981670 /nfs/dbraw/zinc/98/16/70/996981670.db2.gz IFRKYUVKWVBRJZ-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO COC[C@@H](O)CN1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001405161074 997033993 /nfs/dbraw/zinc/03/39/93/997033993.db2.gz VZDYQCOGODNWDT-KGLIPLIRSA-N 1 3 311.426 -0.378 20 0 DBADHO CC[C@H](CNC(=O)CN(C)C(C)C)[NH2+]CC(=O)NC(N)=O ZINC001405371870 997236803 /nfs/dbraw/zinc/23/68/03/997236803.db2.gz OXEXYEJIXJNHIX-SNVBAGLBSA-N 1 3 301.391 -0.994 20 0 DBADHO COC[C@H](O)CN1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001393110028 997420513 /nfs/dbraw/zinc/42/05/13/997420513.db2.gz XPARAWHXVLASRC-UKRRQHHQSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001393110029 997421691 /nfs/dbraw/zinc/42/16/91/997421691.db2.gz XPARAWHXVLASRC-ZFWWWQNUSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H](CN[C@H]1CCN(C)C1=O)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001405869515 997451950 /nfs/dbraw/zinc/45/19/50/997451950.db2.gz NBLRYENBGRBQME-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001393251773 997496258 /nfs/dbraw/zinc/49/62/58/997496258.db2.gz XUBBGJPWVXAYTC-GOEBONIOSA-N 1 3 313.442 -0.348 20 0 DBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)NC[C@]1(O)CCN(CCO)C1 ZINC001393251773 997496263 /nfs/dbraw/zinc/49/62/63/997496263.db2.gz XUBBGJPWVXAYTC-GOEBONIOSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H](O)C[N@@H+]1CC[C@@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001393275859 997525887 /nfs/dbraw/zinc/52/58/87/997525887.db2.gz LMZCISMBUANDIV-XJKSGUPXSA-N 1 3 315.458 -0.102 20 0 DBADHO C[C@H](O)C[N@H+]1CC[C@@](O)(CNC(=O)CN(C)CC(C)(C)C)C1 ZINC001393275859 997525896 /nfs/dbraw/zinc/52/58/96/997525896.db2.gz LMZCISMBUANDIV-XJKSGUPXSA-N 1 3 315.458 -0.102 20 0 DBADHO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC2CCOCC2)C1 ZINC001393303215 997558903 /nfs/dbraw/zinc/55/89/03/997558903.db2.gz LTIFVENBFFXSHO-CQSZACIVSA-N 1 3 311.426 -0.330 20 0 DBADHO C[N@H+]1CCC[C@@H]1C(=O)NCC1(O)CN(CC2CCOCC2)C1 ZINC001393303215 997558912 /nfs/dbraw/zinc/55/89/12/997558912.db2.gz LTIFVENBFFXSHO-CQSZACIVSA-N 1 3 311.426 -0.330 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001393331168 997592903 /nfs/dbraw/zinc/59/29/03/997592903.db2.gz UPJVNSWXIAXAFM-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001393331168 997592915 /nfs/dbraw/zinc/59/29/15/997592915.db2.gz UPJVNSWXIAXAFM-KBPBESRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N1CC[C@@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001406250882 997624832 /nfs/dbraw/zinc/62/48/32/997624832.db2.gz ACNUQHSJLDERCT-CHWSQXEVSA-N 1 3 314.430 -0.986 20 0 DBADHO COC[C@@H](C)[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001406259110 997634197 /nfs/dbraw/zinc/63/41/97/997634197.db2.gz SPQNDGOOXPRBOE-CHWSQXEVSA-N 1 3 301.431 -0.038 20 0 DBADHO Cc1nc([C@@H](C)NC[C@H](O)CNC(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001406263841 997641397 /nfs/dbraw/zinc/64/13/97/997641397.db2.gz FNGNNPRSZJUVMV-PWSUYJOCSA-N 1 3 324.429 -0.417 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001406276312 997657074 /nfs/dbraw/zinc/65/70/74/997657074.db2.gz HJOXCWSXLKRNFO-HIFRSBDPSA-N 1 3 323.441 -0.363 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001406276312 997657076 /nfs/dbraw/zinc/65/70/76/997657076.db2.gz HJOXCWSXLKRNFO-HIFRSBDPSA-N 1 3 323.441 -0.363 20 0 DBADHO Cc1nn(C)cc1C[NH2+]C[C@H](O)CNC(=O)CN(C)C(C)C ZINC001406303299 997684431 /nfs/dbraw/zinc/68/44/31/997684431.db2.gz NOPXJSVITILBIE-AWEZNQCLSA-N 1 3 311.430 -0.365 20 0 DBADHO Cc1nn(C)cc1C[NH2+]C[C@@H](O)CNC(=O)CN(C)C(C)C ZINC001406303318 997685197 /nfs/dbraw/zinc/68/51/97/997685197.db2.gz NOPXJSVITILBIE-CQSZACIVSA-N 1 3 311.430 -0.365 20 0 DBADHO CC(C)N(C)CC(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001393487866 997691472 /nfs/dbraw/zinc/69/14/72/997691472.db2.gz YXMWLACXKISDTF-ZDUSSCGKSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[C@H](C(=O)N1CCO[C@@H](CNCC(N)=O)C1)[NH+](CC)CC ZINC001393580193 997744226 /nfs/dbraw/zinc/74/42/26/997744226.db2.gz BSSQVRMVGYVEBC-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393577657 997744343 /nfs/dbraw/zinc/74/43/43/997744343.db2.gz SRHBALXGUMIKDE-OLZOCXBDSA-N 1 3 312.414 -0.837 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393577657 997744353 /nfs/dbraw/zinc/74/43/53/997744353.db2.gz SRHBALXGUMIKDE-OLZOCXBDSA-N 1 3 312.414 -0.837 20 0 DBADHO CNC(=O)CNC[C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CCO1 ZINC001393581598 997746646 /nfs/dbraw/zinc/74/66/46/997746646.db2.gz GEJSUPBHIRPPAR-TZMCWYRMSA-N 1 3 314.430 -0.864 20 0 DBADHO C[C@H](NC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1)C(N)=O ZINC001393589518 997753968 /nfs/dbraw/zinc/75/39/68/997753968.db2.gz MKDBTZHXQXHXFG-AAEUAGOBSA-N 1 3 312.414 -0.981 20 0 DBADHO CC[C@@H](NC[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1)C(N)=O ZINC001393589196 997755233 /nfs/dbraw/zinc/75/52/33/997755233.db2.gz RJSQZAJKYAGYRU-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO CC[C@@H](NC[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1)C(N)=O ZINC001393589196 997755239 /nfs/dbraw/zinc/75/52/39/997755239.db2.gz RJSQZAJKYAGYRU-QWHCGFSZSA-N 1 3 314.430 -0.591 20 0 DBADHO Cn1nccc1CNC[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001393594217 997756490 /nfs/dbraw/zinc/75/64/90/997756490.db2.gz RYEUUEPCDDWBFP-CQSZACIVSA-N 1 3 309.414 -0.311 20 0 DBADHO CC[C@@H](C(=O)NC1(CO)CC[NH+](CCCO)CC1)N(C)C ZINC001393853223 997870579 /nfs/dbraw/zinc/87/05/79/997870579.db2.gz KTOIMVLHYJIUTF-ZDUSSCGKSA-N 1 3 301.431 -0.348 20 0 DBADHO CN(C)C1(C(=O)N[C@@H](C[NH2+][C@@H]2CCNC2=O)C2CC2)CCC1 ZINC001406787816 997879877 /nfs/dbraw/zinc/87/98/77/997879877.db2.gz WJTIHWOQHZMQSO-OLZOCXBDSA-N 1 3 308.426 -0.156 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CCN1CCNC1=O ZINC001394001869 997924254 /nfs/dbraw/zinc/92/42/54/997924254.db2.gz MPSMOXUCNHLIFH-QWHCGFSZSA-N 1 3 313.446 -0.165 20 0 DBADHO COC[C@H](O)C[N@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001394078548 997964865 /nfs/dbraw/zinc/96/48/65/997964865.db2.gz UDIBYAAVJJTILL-CHWSQXEVSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)C[N@@H+](C)[C@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001394078548 997964872 /nfs/dbraw/zinc/96/48/72/997964872.db2.gz UDIBYAAVJJTILL-CHWSQXEVSA-N 1 3 301.431 -0.086 20 0 DBADHO O=C(C[NH2+]C[C@@H]1CCCN1C(=O)CN1CCCC1)NC1CC1 ZINC001407118843 998023618 /nfs/dbraw/zinc/02/36/18/998023618.db2.gz ZKNREPIQLNTGBS-AWEZNQCLSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)C(=O)CNC[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001407116584 998026082 /nfs/dbraw/zinc/02/60/82/998026082.db2.gz IMMDQYPPWKJLCO-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](N[C@@H](C)CN(C)C(=O)CCC[NH+](C)C)C(=O)NC(N)=O ZINC001394518089 998178061 /nfs/dbraw/zinc/17/80/61/998178061.db2.gz BNOLJYFWSPIALH-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@H]([NH2+]CC(=O)N(C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001407542619 998257811 /nfs/dbraw/zinc/25/78/11/998257811.db2.gz OEMCJBKJZDAWKX-RYUDHWBXSA-N 1 3 307.398 -0.133 20 0 DBADHO CN(C)C1(C(=O)NC[C@H](CO)[NH2+]CCn2cccn2)CCC1 ZINC001394601091 998267958 /nfs/dbraw/zinc/26/79/58/998267958.db2.gz DDTBPIZUOPPDAG-CYBMUJFWSA-N 1 3 309.414 -0.566 20 0 DBADHO O=C(NC[C@@H](CO)NCCc1ccns1)C12CC[NH+](CC1)C2 ZINC001394655415 998358789 /nfs/dbraw/zinc/35/87/89/998358789.db2.gz 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ZINC001397788871 999133185 /nfs/dbraw/zinc/13/31/85/999133185.db2.gz MQWKOSZPHVAALF-CQSZACIVSA-N 1 3 301.431 -0.394 20 0 DBADHO C[C@@H](NC[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2)C(N)=O ZINC001398765425 999353066 /nfs/dbraw/zinc/35/30/66/999353066.db2.gz FUKWQUHVROSPGL-CHWSQXEVSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)NCC1CC1 ZINC001398914597 999375738 /nfs/dbraw/zinc/37/57/38/999375738.db2.gz GFAFTHVJMRMVMS-IUODEOHRSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H](CNC(=O)CC[NH+](C)C)NCC(=O)NC1CCOCC1 ZINC001399048226 999401592 /nfs/dbraw/zinc/40/15/92/999401592.db2.gz WYAQWVIXRMLING-LBPRGKRZSA-N 1 3 314.430 -0.672 20 0 DBADHO CCNC(=O)NC(=O)[C@@H](C)NCCN(C)C(=O)CC[NH+](C)C ZINC001400040264 999550784 /nfs/dbraw/zinc/55/07/84/999550784.db2.gz MRDKWWWORCRJEK-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO COC[C@@H](O)C[N@H+](C)C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001400235720 999591085 /nfs/dbraw/zinc/59/10/85/999591085.db2.gz ZJEYFAAAGXBXKL-GJZGRUSLSA-N 1 3 313.442 -0.130 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CNC(=O)NC(=O)[C@@H](C)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001410443451 1000770558 /nfs/dbraw/zinc/77/05/58/1000770558.db2.gz UMGUDPKIPMDEIJ-WDEREUQCSA-N 1 3 315.418 -0.781 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410623150 1000833858 /nfs/dbraw/zinc/83/38/58/1000833858.db2.gz XDXRFSYXRAWYET-CHWSQXEVSA-N 1 3 319.409 -0.071 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H]1CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410623150 1000833861 /nfs/dbraw/zinc/83/38/61/1000833861.db2.gz XDXRFSYXRAWYET-CHWSQXEVSA-N 1 3 319.409 -0.071 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cncn1 ZINC001410638725 1000838563 /nfs/dbraw/zinc/83/85/63/1000838563.db2.gz ZUCXBEVFLVAADA-UONOGXRCSA-N 1 3 324.429 -0.782 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2ccnn2C)C1 ZINC001422361677 1000843050 /nfs/dbraw/zinc/84/30/50/1000843050.db2.gz OTJAKRYBGZGVRT-JSGCOSHPSA-N 1 3 309.414 -0.671 20 0 DBADHO Cc1cncc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001422409935 1000864644 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DBADHO CCNC(=O)C[NH2+]C[C@@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001411043702 1001002198 /nfs/dbraw/zinc/00/21/98/1001002198.db2.gz NUINMIUOILFIGN-GFCCVEGCSA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC001422844098 1001031239 /nfs/dbraw/zinc/03/12/39/1001031239.db2.gz AIQUPLXOLVOIIA-STQMWFEESA-N 1 3 324.425 -0.694 20 0 DBADHO C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001422850364 1001032371 /nfs/dbraw/zinc/03/23/71/1001032371.db2.gz GSKFFRUBRJJHKD-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H]([C@@H](C)[NH2+]CC(=O)NC)C1 ZINC001422848351 1001033379 /nfs/dbraw/zinc/03/33/79/1001033379.db2.gz FTEPUEVBUJACIX-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@@H](CNCC(=O)N1CCC1)C1CC1 ZINC001423008031 1001085454 /nfs/dbraw/zinc/08/54/54/1001085454.db2.gz MRJVFLUNHFWDCM-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001423029679 1001091462 /nfs/dbraw/zinc/09/14/62/1001091462.db2.gz RHLMYPIVTBDLHC-DGCLKSJQSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H](CN(C)C(=O)CN(C)C1CCC1)[NH2+]CC(=O)NC(N)=O ZINC001423086394 1001113859 /nfs/dbraw/zinc/11/38/59/1001113859.db2.gz QFRIHPXEYDJBQB-SNVBAGLBSA-N 1 3 313.402 -0.898 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCNC2=O)CC1 ZINC001423204759 1001169207 /nfs/dbraw/zinc/16/92/07/1001169207.db2.gz GNMLKIRIXROKHL-OLZOCXBDSA-N 1 3 308.426 -0.014 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCC1(N[C@@H]2CCNC2=O)CC1 ZINC001423204759 1001169214 /nfs/dbraw/zinc/16/92/14/1001169214.db2.gz GNMLKIRIXROKHL-OLZOCXBDSA-N 1 3 308.426 -0.014 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCc2ccns2)C1 ZINC001423296601 1001237968 /nfs/dbraw/zinc/23/79/68/1001237968.db2.gz BHKHGBGFQOJFLO-RYUDHWBXSA-N 1 3 312.439 -0.296 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@@H](CO)NCCc2ccns2)C1 ZINC001423296601 1001237980 /nfs/dbraw/zinc/23/79/80/1001237980.db2.gz BHKHGBGFQOJFLO-RYUDHWBXSA-N 1 3 312.439 -0.296 20 0 DBADHO 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/nfs/dbraw/zinc/54/65/38/1001546538.db2.gz CYNQGNDQPZICNL-UHFFFAOYSA-N 1 3 310.442 -0.398 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001424234741 1001605422 /nfs/dbraw/zinc/60/54/22/1001605422.db2.gz DXZZZPYBNYQUFR-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CN[C@H](C)C(N)=O)C1 ZINC001424234741 1001605425 /nfs/dbraw/zinc/60/54/25/1001605425.db2.gz DXZZZPYBNYQUFR-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001424240500 1001606399 /nfs/dbraw/zinc/60/63/99/1001606399.db2.gz RBLUFUMQTXHOJP-OLZOCXBDSA-N 1 3 324.425 -0.966 20 0 DBADHO C[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)NCC1CC1 ZINC001424479073 1001649111 /nfs/dbraw/zinc/64/91/11/1001649111.db2.gz IRBIRKRIQXSLON-OCCSQVGLSA-N 1 3 310.442 -0.099 20 0 DBADHO COC[C@H](C)[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001424529213 1001655846 /nfs/dbraw/zinc/65/58/46/1001655846.db2.gz VLSBWUDROUMVNW-LBPRGKRZSA-N 1 3 310.398 -0.070 20 0 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310.442 -0.005 20 0 DBADHO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC001434422927 1002464157 /nfs/dbraw/zinc/46/41/57/1002464157.db2.gz PGEORAAHFFISTQ-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC001434422927 1002464164 /nfs/dbraw/zinc/46/41/64/1002464164.db2.gz PGEORAAHFFISTQ-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCCS(C)(=O)=O)C[C@@H]1C ZINC001425917630 1002562884 /nfs/dbraw/zinc/56/28/84/1002562884.db2.gz OPJGRWXNZCIGQV-STQMWFEESA-N 1 3 319.471 -0.048 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCCS(C)(=O)=O)C[C@@H]1C ZINC001425917630 1002562897 /nfs/dbraw/zinc/56/28/97/1002562897.db2.gz OPJGRWXNZCIGQV-STQMWFEESA-N 1 3 319.471 -0.048 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001425982081 1002596282 /nfs/dbraw/zinc/59/62/82/1002596282.db2.gz YLXNEFCTMZSGBZ-QWHCGFSZSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001425982081 1002596305 /nfs/dbraw/zinc/59/63/05/1002596305.db2.gz YLXNEFCTMZSGBZ-QWHCGFSZSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccnn1C)N(C)C ZINC001426009782 1002617399 /nfs/dbraw/zinc/61/73/99/1002617399.db2.gz BUUIZLHBLCMAHI-ZIAGYGMSSA-N 1 3 311.430 -0.331 20 0 DBADHO CCO[C@@H]1CN(C(=O)[C@@H](CC)N(C)C)C[C@H]1C[NH2+]CC(N)=O ZINC001436423276 1002704030 /nfs/dbraw/zinc/70/40/30/1002704030.db2.gz KTOYUPSKVXIQHV-JHJVBQTASA-N 1 3 314.430 -0.735 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C2CC([NH2+]CC(=O)N(C)C)C2)C1 ZINC001426216517 1002722714 /nfs/dbraw/zinc/72/27/14/1002722714.db2.gz GXVLYICUBWLARM-HSBZDZAISA-N 1 3 310.442 -0.005 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1)C1CCC1 ZINC001436898300 1002822211 /nfs/dbraw/zinc/82/22/11/1002822211.db2.gz WLTFQDJEOLTWOJ-HAQNSBGRSA-N 1 3 317.455 -0.248 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1 ZINC001436922674 1002826417 /nfs/dbraw/zinc/82/64/17/1002826417.db2.gz CDZHRLWMZRRCAI-HAQNSBGRSA-N 1 3 305.444 -0.390 20 0 DBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)C[NH2+]CC(=O)NC(N)=O ZINC001495685982 1016690536 /nfs/dbraw/zinc/69/05/36/1016690536.db2.gz ZCLQZNHZWRLXNS-SNVBAGLBSA-N 1 3 313.402 -0.993 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001437295667 1002909470 /nfs/dbraw/zinc/90/94/70/1002909470.db2.gz LNMDXGMIAXWISV-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001415669947 1002944518 /nfs/dbraw/zinc/94/45/18/1002944518.db2.gz PKAONWNWQYBFPR-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001415669947 1002944541 /nfs/dbraw/zinc/94/45/41/1002944541.db2.gz PKAONWNWQYBFPR-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001415669948 1002947489 /nfs/dbraw/zinc/94/74/89/1002947489.db2.gz PKAONWNWQYBFPR-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@H]1CCCN1C ZINC001415669948 1002947507 /nfs/dbraw/zinc/94/75/07/1002947507.db2.gz PKAONWNWQYBFPR-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN(C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001438004381 1003319095 /nfs/dbraw/zinc/31/90/95/1003319095.db2.gz FAJZNBLQRYUKKL-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CNC(=O)CN(C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001438004381 1003319105 /nfs/dbraw/zinc/31/91/05/1003319105.db2.gz FAJZNBLQRYUKKL-AWEZNQCLSA-N 1 3 310.442 -0.146 20 0 DBADHO CNC(=O)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001438822261 1003676631 /nfs/dbraw/zinc/67/66/31/1003676631.db2.gz DNHSUIQDCLBBSD-NEPJUHHUSA-N 1 3 307.398 -0.085 20 0 DBADHO CNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001438822262 1003678018 /nfs/dbraw/zinc/67/80/18/1003678018.db2.gz DNHSUIQDCLBBSD-NWDGAFQWSA-N 1 3 307.398 -0.085 20 0 DBADHO CN(CC[N@H+](C)C[C@@H](O)Cn1cccn1)C(=O)CN1CCCC1 ZINC001438939539 1003778987 /nfs/dbraw/zinc/77/89/87/1003778987.db2.gz SEMUVFQPRWDAGB-OAHLLOKOSA-N 1 3 323.441 -0.270 20 0 DBADHO CN(CC[N@@H+](C)C[C@@H](O)Cn1cccn1)C(=O)CN1CCCC1 ZINC001438939539 1003779007 /nfs/dbraw/zinc/77/90/07/1003779007.db2.gz SEMUVFQPRWDAGB-OAHLLOKOSA-N 1 3 323.441 -0.270 20 0 DBADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001439010818 1003829637 /nfs/dbraw/zinc/82/96/37/1003829637.db2.gz FBAOLUKCSBJSOS-GFCCVEGCSA-N 1 3 314.430 -0.984 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@@H](O)CNC(=O)C(C)(C)N1CCCC1 ZINC001439010818 1003829639 /nfs/dbraw/zinc/82/96/39/1003829639.db2.gz FBAOLUKCSBJSOS-GFCCVEGCSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCCN(C)C1=O ZINC001439038178 1003845628 /nfs/dbraw/zinc/84/56/28/1003845628.db2.gz XRCWBBZARKZUCM-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H](O)CN[C@H]1CCCN(C)C1=O ZINC001439038178 1003845630 /nfs/dbraw/zinc/84/56/30/1003845630.db2.gz XRCWBBZARKZUCM-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO C[C@H](C[NH2+][C@H](C)C(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001439121602 1003870472 /nfs/dbraw/zinc/87/04/72/1003870472.db2.gz ZKOCJWUGWNYGDM-NXEZZACHSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@@H](CNCC(=O)N1CCO[C@H](C)C1)NC(=O)CC[NH+](C)C ZINC001439247295 1003890419 /nfs/dbraw/zinc/89/04/19/1003890419.db2.gz UUHLMISRJQAPID-QWHCGFSZSA-N 1 3 314.430 -0.720 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C[C@H](O)COC ZINC001439283111 1003894912 /nfs/dbraw/zinc/89/49/12/1003894912.db2.gz BOWHMFPYYWHKEH-MELADBBJSA-N 1 3 301.431 -0.038 20 0 DBADHO Cn1nncc1CNC[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001439489513 1004018255 /nfs/dbraw/zinc/01/82/55/1004018255.db2.gz YYKVNYBCMLDCNZ-AWEZNQCLSA-N 1 3 318.425 -0.105 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001417791404 1004040238 /nfs/dbraw/zinc/04/02/38/1004040238.db2.gz LRAOAIKTNDHOHK-AAVRWANBSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@@H+](CCO)C[C@@H](C)O)C1 ZINC001417829895 1004057069 /nfs/dbraw/zinc/05/70/69/1004057069.db2.gz KBYGPIQXOFPDEB-HUUCEWRRSA-N 1 3 315.458 -0.007 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]([N@H+](CCO)C[C@@H](C)O)C1 ZINC001417829895 1004057089 /nfs/dbraw/zinc/05/70/89/1004057089.db2.gz KBYGPIQXOFPDEB-HUUCEWRRSA-N 1 3 315.458 -0.007 20 0 DBADHO O=C(NC[C@H](N[C@H]1CCNC1=O)C1CC1)C12CC[NH+](CC1)C2 ZINC001418012706 1004162531 /nfs/dbraw/zinc/16/25/31/1004162531.db2.gz YWTUCKKMYZMADE-STQMWFEESA-N 1 3 306.410 -0.545 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@H+](C[C@H]2CCOC2)C1 ZINC001440021833 1004199277 /nfs/dbraw/zinc/19/92/77/1004199277.db2.gz VVJRJBVSXIQQAT-ZBFHGGJFSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@]1(O)CC[N@@H+](C[C@H]2CCOC2)C1 ZINC001440021833 1004199282 /nfs/dbraw/zinc/19/92/82/1004199282.db2.gz VVJRJBVSXIQQAT-ZBFHGGJFSA-N 1 3 313.442 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@H+](CCn2cccn2)C1 ZINC001440022759 1004201047 /nfs/dbraw/zinc/20/10/47/1004201047.db2.gz YOMREJDSVOFBOI-MRXNPFEDSA-N 1 3 323.441 -0.224 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@]1(O)CC[N@@H+](CCn2cccn2)C1 ZINC001440022759 1004201058 /nfs/dbraw/zinc/20/10/58/1004201058.db2.gz YOMREJDSVOFBOI-MRXNPFEDSA-N 1 3 323.441 -0.224 20 0 DBADHO CNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CN2CC[C@@H](C)C2)C1 ZINC001418136438 1004227281 /nfs/dbraw/zinc/22/72/81/1004227281.db2.gz FDQYVAMOMGZTJR-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](NC[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2)C(=O)N(C)C ZINC001496207486 1016864028 /nfs/dbraw/zinc/86/40/28/1016864028.db2.gz QCJPMVMTHZLQFK-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001496209723 1016865864 /nfs/dbraw/zinc/86/58/64/1016865864.db2.gz LHDAAKVLPVTIKY-WDEREUQCSA-N 1 3 315.418 -0.652 20 0 DBADHO C[C@@H](CNC(=O)CN1CC[C@@H](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001418276746 1004309648 /nfs/dbraw/zinc/30/96/48/1004309648.db2.gz RTQOKNJCENYPRC-OLZOCXBDSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)CNC(=O)CN[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001418299235 1004325008 /nfs/dbraw/zinc/32/50/08/1004325008.db2.gz HMBDRFFPZZDGBF-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[N@H+](C)C[C@@H](O)COC ZINC001418527055 1004454793 /nfs/dbraw/zinc/45/47/93/1004454793.db2.gz JGSVBAIPBJVVOE-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[N@@H+](C)C[C@@H](O)COC ZINC001418527055 1004454800 /nfs/dbraw/zinc/45/48/00/1004454800.db2.gz JGSVBAIPBJVVOE-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001418653354 1004530138 /nfs/dbraw/zinc/53/01/38/1004530138.db2.gz RWKXZVOSUBRDJU-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H](NCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)C(=O)N(C)C ZINC001418807836 1004656782 /nfs/dbraw/zinc/65/67/82/1004656782.db2.gz BUKAUAKBWAPKAN-TZMCWYRMSA-N 1 3 310.442 -0.147 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001418877743 1004695015 /nfs/dbraw/zinc/69/50/15/1004695015.db2.gz FHRQWVIXXRNJFZ-UKRRQHHQSA-N 1 3 322.453 -0.098 20 0 DBADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001418917921 1004713651 /nfs/dbraw/zinc/71/36/51/1004713651.db2.gz IHCCKAXUEZXAFM-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO CCNC(=O)CN1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001418917921 1004713658 /nfs/dbraw/zinc/71/36/58/1004713658.db2.gz IHCCKAXUEZXAFM-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H](C)CNC(=O)C(C)(C)N1CCCC1 ZINC001419829306 1004993071 /nfs/dbraw/zinc/99/30/71/1004993071.db2.gz RBUCCHMFTXVIMT-STQMWFEESA-N 1 3 301.431 -0.038 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001419991896 1005042494 /nfs/dbraw/zinc/04/24/94/1005042494.db2.gz LKIOAELKUHXPKQ-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)N2CCC2)C1 ZINC001420007470 1005049754 /nfs/dbraw/zinc/04/97/54/1005049754.db2.gz OZAHYAQFEGGUBE-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCc1cncn1C)[NH+](C)C ZINC001420133754 1005114276 /nfs/dbraw/zinc/11/42/76/1005114276.db2.gz JWUZDIQUZJGSPO-KBPBESRZSA-N 1 3 311.430 -0.427 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)cn1 ZINC001420142548 1005117584 /nfs/dbraw/zinc/11/75/84/1005117584.db2.gz IJWYBVOSOOYBLU-CQSZACIVSA-N 1 3 309.414 -0.671 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H](O)C[NH2+]Cc2cnn(C)c2)C1 ZINC001420168425 1005130513 /nfs/dbraw/zinc/13/05/13/1005130513.db2.gz CMFHDZFTJFPTKH-JSGCOSHPSA-N 1 3 309.414 -0.671 20 0 DBADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001420190082 1005142824 /nfs/dbraw/zinc/14/28/24/1005142824.db2.gz KQPCQMDJEJSRKD-UONOGXRCSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1cccnc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001420190082 1005142830 /nfs/dbraw/zinc/14/28/30/1005142830.db2.gz KQPCQMDJEJSRKD-UONOGXRCSA-N 1 3 306.410 -0.092 20 0 DBADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001440287797 1006046931 /nfs/dbraw/zinc/04/69/31/1006046931.db2.gz DYISMMUGAFMHNJ-MBNYWOFBSA-N 1 3 308.426 -0.156 20 0 DBADHO CN(CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1)C1CCC1 ZINC001440287800 1006048289 /nfs/dbraw/zinc/04/82/89/1006048289.db2.gz DYISMMUGAFMHNJ-SCRDCRAPSA-N 1 3 308.426 -0.156 20 0 DBADHO C[NH+](C)CCC(=O)N1CCO[C@@H](CN[C@H]2CCCNC2=O)C1 ZINC001440376575 1006082293 /nfs/dbraw/zinc/08/22/93/1006082293.db2.gz KYXZFEMTCSVXOF-STQMWFEESA-N 1 3 312.414 -0.966 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001440553084 1006192934 /nfs/dbraw/zinc/19/29/34/1006192934.db2.gz ZJLZYLGNSOHFMA-ZFWWWQNUSA-N 1 3 319.421 -0.398 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@](CO)([NH2+]C[C@@H](C)O)C1 ZINC001440557205 1006199132 /nfs/dbraw/zinc/19/91/32/1006199132.db2.gz QXXMNPIEIYHKLK-UKRRQHHQSA-N 1 3 301.431 -0.348 20 0 DBADHO C[NH+](C)CCC(=O)N1CCN(C2CN(C[C@H]3CCOC3)C2)CC1 ZINC001440626535 1006234956 /nfs/dbraw/zinc/23/49/56/1006234956.db2.gz OBSCFJANFMPOMO-OAHLLOKOSA-N 1 3 324.469 -0.197 20 0 DBADHO CC[C@@H](C(=O)NC1(CO)CC[NH+](CCOC)CC1)N(C)C ZINC001440698013 1006267625 /nfs/dbraw/zinc/26/76/25/1006267625.db2.gz SSFQLBARIWTMAV-ZDUSSCGKSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCN(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001429496200 1006446836 /nfs/dbraw/zinc/44/68/36/1006446836.db2.gz OPHKOYWKPFLNJR-CQSZACIVSA-N 1 3 322.453 -0.001 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001441310047 1006572491 /nfs/dbraw/zinc/57/24/91/1006572491.db2.gz CPHPQXCLHCFGHJ-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001441440972 1006654210 /nfs/dbraw/zinc/65/42/10/1006654210.db2.gz OAOUBEWMNDUWQE-GMTAPVOTSA-N 1 3 313.402 -0.853 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCn3cncn3)C2)CCC1 ZINC001441491872 1006685004 /nfs/dbraw/zinc/68/50/04/1006685004.db2.gz UWYNCNCOFXHTCS-BETUJISGSA-N 1 3 306.414 -0.001 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001430195296 1006750702 /nfs/dbraw/zinc/75/07/02/1006750702.db2.gz IWSNIKSQWIHLKR-OAHLLOKOSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](CN(C)C(=O)C12CC[NH+](CC1)C2)N[C@H](C)C(=O)N(C)C ZINC001441651964 1006771785 /nfs/dbraw/zinc/77/17/85/1006771785.db2.gz NSERNGYPWRAMIT-CHWSQXEVSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001430238958 1006783750 /nfs/dbraw/zinc/78/37/50/1006783750.db2.gz YQEIGUQCODAJPX-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC001430238958 1006783764 /nfs/dbraw/zinc/78/37/64/1006783764.db2.gz YQEIGUQCODAJPX-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001430238962 1006784361 /nfs/dbraw/zinc/78/43/61/1006784361.db2.gz YQEIGUQCODAJPX-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)NC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1)N(C)C ZINC001430238962 1006784374 /nfs/dbraw/zinc/78/43/74/1006784374.db2.gz YQEIGUQCODAJPX-TZMCWYRMSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001430287637 1006804969 /nfs/dbraw/zinc/80/49/69/1006804969.db2.gz DXVBHLQSNHYDLY-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001430308204 1006810482 /nfs/dbraw/zinc/81/04/82/1006810482.db2.gz QRBWXMJUMOLXPN-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001430308204 1006810487 /nfs/dbraw/zinc/81/04/87/1006810487.db2.gz QRBWXMJUMOLXPN-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H](O)Cn1cccn1 ZINC001441839789 1006896189 /nfs/dbraw/zinc/89/61/89/1006896189.db2.gz IYSLQEUZWVJXJX-KGLIPLIRSA-N 1 3 323.441 -0.177 20 0 DBADHO C[C@@H](CNC(=O)CN(C)C1CCC1)[NH2+]CCN1CCNC1=O ZINC001441844023 1006898114 /nfs/dbraw/zinc/89/81/14/1006898114.db2.gz QDVFXWIFQPLHCZ-LBPRGKRZSA-N 1 3 311.430 -0.410 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H](C)C(=O)N(C)C ZINC001442037058 1007114694 /nfs/dbraw/zinc/11/46/94/1007114694.db2.gz PQIHVEHJHRGDPJ-OLZOCXBDSA-N 1 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CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001432025405 1007790107 /nfs/dbraw/zinc/79/01/07/1007790107.db2.gz PCNQGISEFSLYNU-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001432025405 1007790116 /nfs/dbraw/zinc/79/01/16/1007790116.db2.gz PCNQGISEFSLYNU-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001432025402 1007790155 /nfs/dbraw/zinc/79/01/55/1007790155.db2.gz PCNQGISEFSLYNU-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001432025402 1007790160 /nfs/dbraw/zinc/79/01/60/1007790160.db2.gz PCNQGISEFSLYNU-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CC(N)=O)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001443366435 1007839022 /nfs/dbraw/zinc/83/90/22/1007839022.db2.gz YOAMUZDKGBEQRI-UHFFFAOYSA-N 1 3 310.442 -0.016 20 0 DBADHO COC[C@@H](O)CN1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001443825845 1007942517 /nfs/dbraw/zinc/94/25/17/1007942517.db2.gz VNINKBISPIABGQ-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)NC(=O)CN(C)C1CCC1 ZINC001445392185 1008368978 /nfs/dbraw/zinc/36/89/78/1008368978.db2.gz ZXNPLKJGYKSPPZ-SNVBAGLBSA-N 1 3 313.402 -0.979 20 0 DBADHO C[C@H](CN[C@H](C)C(N)=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001445478365 1008380245 /nfs/dbraw/zinc/38/02/45/1008380245.db2.gz UNPAFPYVDUPONT-GHMZBOCLSA-N 1 3 300.403 -0.935 20 0 DBADHO C[C@@H](CN[C@H]1CCNC1=O)NC(=O)COC1CC[NH+](C)CC1 ZINC001445625467 1008407285 /nfs/dbraw/zinc/40/72/85/1008407285.db2.gz DZUZJEDCZXLSDC-AAEUAGOBSA-N 1 3 312.414 -0.920 20 0 DBADHO CNC(=O)CNC[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001445946041 1008450922 /nfs/dbraw/zinc/45/09/22/1008450922.db2.gz CRKHEZXFKCPCSZ-KBPBESRZSA-N 1 3 308.426 -0.441 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001446536275 1008541672 /nfs/dbraw/zinc/54/16/72/1008541672.db2.gz PKNXRRALGQOYJX-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001446536275 1008541687 /nfs/dbraw/zinc/54/16/87/1008541687.db2.gz PKNXRRALGQOYJX-MGPQQGTHSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1 ZINC001446798638 1008804541 /nfs/dbraw/zinc/80/45/41/1008804541.db2.gz ZOZHFAIWBBZQDA-HOCLYGCPSA-N 1 3 313.442 -0.205 20 0 DBADHO CC(C)N1CCCC[C@H]1C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1 ZINC001446798638 1008804543 /nfs/dbraw/zinc/80/45/43/1008804543.db2.gz ZOZHFAIWBBZQDA-HOCLYGCPSA-N 1 3 313.442 -0.205 20 0 DBADHO CC[C@@H](C(=O)NCCN1CCC([NH2+]C[C@@H](C)O)CC1)N(C)C ZINC001446993632 1008868931 /nfs/dbraw/zinc/86/89/31/1008868931.db2.gz VYMCVXFBKVLAKS-HIFRSBDPSA-N 1 3 314.474 -0.122 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)N3CCC3)CCC2)C1 ZINC001447266016 1008986315 /nfs/dbraw/zinc/98/63/15/1008986315.db2.gz KJZHZFMBFIIDDC-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NCC2(NCC(=O)N3CCC3)CCC2)C1 ZINC001447266016 1008986329 /nfs/dbraw/zinc/98/63/29/1008986329.db2.gz KJZHZFMBFIIDDC-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC001447317444 1009026699 /nfs/dbraw/zinc/02/66/99/1009026699.db2.gz ZDUYVFWNTFGFBR-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC(O)(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001447627589 1009203126 /nfs/dbraw/zinc/20/31/26/1009203126.db2.gz YVLNZLXLWSDYBN-GFCCVEGCSA-N 1 3 314.430 -0.857 20 0 DBADHO CCN(CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001447739347 1009272838 /nfs/dbraw/zinc/27/28/38/1009272838.db2.gz YBWXNCWBZPEYGO-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CCN(CC(N)=O)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001447739347 1009272860 /nfs/dbraw/zinc/27/28/60/1009272860.db2.gz YBWXNCWBZPEYGO-CQSZACIVSA-N 1 3 310.442 -0.016 20 0 DBADHO CCCN(C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC(N)=O ZINC001447908507 1009383964 /nfs/dbraw/zinc/38/39/64/1009383964.db2.gz BGWDPSJLOWQDLF-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497113753 1017277139 /nfs/dbraw/zinc/27/71/39/1017277139.db2.gz MIEPEPTUYDLPNZ-LSDHHAIUSA-N 1 3 306.410 -0.092 20 0 DBADHO Cc1ncccc1CNC[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497113753 1017277145 /nfs/dbraw/zinc/27/71/45/1017277145.db2.gz MIEPEPTUYDLPNZ-LSDHHAIUSA-N 1 3 306.410 -0.092 20 0 DBADHO CN(C)C(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001448541615 1009816113 /nfs/dbraw/zinc/81/61/13/1009816113.db2.gz MIQBHABJMUOPDE-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)C(=O)CN(C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001448541615 1009816116 /nfs/dbraw/zinc/81/61/16/1009816116.db2.gz MIQBHABJMUOPDE-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CN(C)C(=O)CNC(=O)C1CC1)[NH2+]Cc1nccn1C ZINC001448625577 1009829725 /nfs/dbraw/zinc/82/97/25/1009829725.db2.gz FKKLQHYSSNYOBL-LLVKDONJSA-N 1 3 307.398 -0.117 20 0 DBADHO CN(C(=O)CN1CCCC1)[C@H](C[NH2+][C@@H]1CCNC1=O)C1CC1 ZINC001448621642 1009829736 /nfs/dbraw/zinc/82/97/36/1009829736.db2.gz WKIKEPZHSGEFJN-ZIAGYGMSSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1CCNC(=O)C1)[NH2+]Cc1cncn1C ZINC001448626667 1009829855 /nfs/dbraw/zinc/82/98/55/1009829855.db2.gz CPVZNASJBCJMIH-VXGBXAGGSA-N 1 3 307.398 -0.117 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)CCNC(=O)c1c[nH]c(=O)cn1)[NH+](C)C ZINC001448625619 1009829999 /nfs/dbraw/zinc/82/99/99/1009829999.db2.gz DTIVXSXMCOHTIS-ZYHUDNBSSA-N 1 3 323.397 -0.265 20 0 DBADHO C[C@@H](CN(C)C(=O)c1cn[nH]c1)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001448624614 1009830142 /nfs/dbraw/zinc/83/01/42/1009830142.db2.gz BQQNOUVSLMGZGD-VIFPVBQESA-N 1 3 322.369 -0.552 20 0 DBADHO C[C@@H](CN(C)C(=O)c1ccc(=O)[nH]n1)[NH2+][C@H]1CCCNC1=O ZINC001448627452 1009830393 /nfs/dbraw/zinc/83/03/93/1009830393.db2.gz CTQYVGPKGUQRNH-UWVGGRQHSA-N 1 3 307.354 -0.489 20 0 DBADHO CN(C(=O)CCNC(N)=O)[C@@H](C[NH2+]Cc1cnn(C)c1)C1CC1 ZINC001448622576 1009831073 /nfs/dbraw/zinc/83/10/73/1009831073.db2.gz WUBDJQSQQKQBNR-ZDUSSCGKSA-N 1 3 322.413 -0.195 20 0 DBADHO C[C@H](CN(C)C(=O)C[C@H]1COC(=O)C1)[NH2+]CC(=O)NC1CC1 ZINC001448628558 1009831101 /nfs/dbraw/zinc/83/11/01/1009831101.db2.gz HRQXAEGLNOQYIH-GHMZBOCLSA-N 1 3 311.382 -0.345 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CC2CCOCC2)C1 ZINC001448896897 1010034634 /nfs/dbraw/zinc/03/46/34/1010034634.db2.gz AOMDNNZYRLZQCQ-UKRRQHHQSA-N 1 3 313.442 -0.179 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@@H](CO)[NH2+]CCc2cnn(C)c2)C1 ZINC001448910378 1010052405 /nfs/dbraw/zinc/05/24/05/1010052405.db2.gz PXIMGHBAESSBNV-ZFWWWQNUSA-N 1 3 323.441 -0.629 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001449017756 1010169141 /nfs/dbraw/zinc/16/91/41/1010169141.db2.gz QFRXFDNCSNKTSH-NEPJUHHUSA-N 1 3 324.429 -0.471 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001449017756 1010169158 /nfs/dbraw/zinc/16/91/58/1010169158.db2.gz QFRXFDNCSNKTSH-NEPJUHHUSA-N 1 3 324.429 -0.471 20 0 DBADHO CNC(=O)[C@@H](C)N[C@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001480043366 1010512198 /nfs/dbraw/zinc/51/21/98/1010512198.db2.gz NNNVXXVFIASIKT-DGCLKSJQSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCCS(C)(=O)=O ZINC001480473505 1010656840 /nfs/dbraw/zinc/65/68/40/1010656840.db2.gz DRBMKZXAYJYPOD-GFCCVEGCSA-N 1 3 319.471 0.000 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001450442017 1010730136 /nfs/dbraw/zinc/73/01/36/1010730136.db2.gz PNWCHYOBAZBBIB-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CCNC(=O)CNC[C@@H](C)N(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001482283854 1011107577 /nfs/dbraw/zinc/10/75/77/1011107577.db2.gz QHUKNVVOOZRVPR-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001452131655 1011112793 /nfs/dbraw/zinc/11/27/93/1011112793.db2.gz FDISBKCJTDDYHA-LBPRGKRZSA-N 1 3 307.398 -0.179 20 0 DBADHO CN(CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(=O)Cc1c[nH]cn1 ZINC001452131655 1011112798 /nfs/dbraw/zinc/11/27/98/1011112798.db2.gz FDISBKCJTDDYHA-LBPRGKRZSA-N 1 3 307.398 -0.179 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)N(C)C ZINC001482728477 1011337107 /nfs/dbraw/zinc/33/71/07/1011337107.db2.gz GRHFZFNEUCNBOV-OLZOCXBDSA-N 1 3 314.430 -0.986 20 0 DBADHO Cc1nc([C@@H](C)NC[C@@H](O)CNC(=O)C2CC[NH+](C)CC2)n[nH]1 ZINC001482763937 1011407593 /nfs/dbraw/zinc/40/75/93/1011407593.db2.gz GESYTFAYCXMIDB-ZWNOBZJWSA-N 1 3 324.429 -0.417 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@@H+](C)C2)cn1 ZINC001482786149 1011457827 /nfs/dbraw/zinc/45/78/27/1011457827.db2.gz RCALBWDYNIABRY-HIFRSBDPSA-N 1 3 321.425 -0.306 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)C[C@H]2CC[N@H+](C)C2)cn1 ZINC001482786149 1011457838 /nfs/dbraw/zinc/45/78/38/1011457838.db2.gz RCALBWDYNIABRY-HIFRSBDPSA-N 1 3 321.425 -0.306 20 0 DBADHO COc1cc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)ccn1 ZINC001482790492 1011468146 /nfs/dbraw/zinc/46/81/46/1011468146.db2.gz DDJRICZKHASAMA-UONOGXRCSA-N 1 3 322.409 -0.391 20 0 DBADHO COc1cc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)ccn1 ZINC001482790492 1011468158 /nfs/dbraw/zinc/46/81/58/1011468158.db2.gz DDJRICZKHASAMA-UONOGXRCSA-N 1 3 322.409 -0.391 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@@H]2CNC(=O)CC[NH+](C)C)C1 ZINC001453247417 1011578567 /nfs/dbraw/zinc/57/85/67/1011578567.db2.gz IDGKTYRXPAQXRG-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[C@H](NC/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001483092154 1011675138 /nfs/dbraw/zinc/67/51/38/1011675138.db2.gz CKSSWHVKYNHPQE-VSVUCHCSSA-N 1 3 308.426 -0.179 20 0 DBADHO CCN1CC[C@H](NC/C=C\CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001483092154 1011675144 /nfs/dbraw/zinc/67/51/44/1011675144.db2.gz CKSSWHVKYNHPQE-VSVUCHCSSA-N 1 3 308.426 -0.179 20 0 DBADHO C[C@H](CNCC(N)=O)NC(=O)c1ccccc1CC[NH+](C)C ZINC001483153495 1011740821 /nfs/dbraw/zinc/74/08/21/1011740821.db2.gz KOTPRVHRCAFTFK-GFCCVEGCSA-N 1 3 306.410 -0.016 20 0 DBADHO C[C@H](CN(C)CCN1C(=O)CCC1=O)NC(=O)CC[NH+](C)C ZINC001483380768 1011859259 /nfs/dbraw/zinc/85/92/59/1011859259.db2.gz NODSBGQBRWOVFF-GFCCVEGCSA-N 1 3 312.414 -0.476 20 0 DBADHO C[C@@H](NC[C@@H](NC(=O)CC[NH+](C)C)C1CC1)C(=O)NC(N)=O ZINC001483586406 1011947798 /nfs/dbraw/zinc/94/77/98/1011947798.db2.gz QICZKYVGORYZTC-MWLCHTKSSA-N 1 3 313.402 -0.994 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@H]1C[NH2+]CC(N)=O ZINC001483932734 1012213605 /nfs/dbraw/zinc/21/36/05/1012213605.db2.gz OQCSFFICKFANRN-NWDGAFQWSA-N 1 3 302.394 -0.268 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCN2CCC([NH2+]CCO)CC2)C1 ZINC001484422137 1012621684 /nfs/dbraw/zinc/62/16/84/1012621684.db2.gz QYFPMBQALHRRIM-CQSZACIVSA-N 1 3 312.458 -0.509 20 0 DBADHO CN(C)C(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001484513123 1012752845 /nfs/dbraw/zinc/75/28/45/1012752845.db2.gz MASOZJOZRORWTR-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+]1CCC(OCC(=O)N2CCO[C@H](CNCCF)C2)CC1 ZINC001484695057 1012833540 /nfs/dbraw/zinc/83/35/40/1012833540.db2.gz HPGVOPAIGUHYAC-CQSZACIVSA-N 1 3 317.405 -0.116 20 0 DBADHO CC(C)N1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001484839530 1012873488 /nfs/dbraw/zinc/87/34/88/1012873488.db2.gz LHKGEMWHOPIFKZ-HOCLYGCPSA-N 1 3 313.442 -0.205 20 0 DBADHO CCCN(C)CC(=O)NC1CC(C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001485108984 1012999640 /nfs/dbraw/zinc/99/96/40/1012999640.db2.gz UUVDAWREYCXPSL-WXRRBKDZSA-N 1 3 324.425 -0.382 20 0 DBADHO CNC(=O)CN[C@H](C)[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001485149341 1013021724 /nfs/dbraw/zinc/02/17/24/1013021724.db2.gz ZISUCGLHMFTOGT-VXGBXAGGSA-N 1 3 324.429 -0.713 20 0 DBADHO O=C(NC[C@@H](O)CNCc1cccnc1)[C@H]1C[NH+]2CCC1CC2 ZINC001496981224 1017162889 /nfs/dbraw/zinc/16/28/89/1017162889.db2.gz IIMQRCMICUUEBX-HOTGVXAUSA-N 1 3 318.421 -0.010 20 0 DBADHO CC(C)[C@@H](C(=O)NC/C=C\CN[C@@H]1CCC(=O)NC1=O)[NH+](C)C ZINC001497602789 1017441241 /nfs/dbraw/zinc/44/12/41/1017441241.db2.gz SBPNHSDPCWYSSX-IDOVFVQQSA-N 1 3 324.425 -0.360 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001497955384 1017558595 /nfs/dbraw/zinc/55/85/95/1017558595.db2.gz ZZUBEZJXBDTAOM-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001497955384 1017558609 /nfs/dbraw/zinc/55/86/09/1017558609.db2.gz ZZUBEZJXBDTAOM-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO CCCN(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001497969305 1017561763 /nfs/dbraw/zinc/56/17/63/1017561763.db2.gz PARIWDKRGOXFND-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CN(CCC[NH2+]C[C@@H](O)Cn1cccn1)C(=O)[C@H]1CCCN1C ZINC001498595281 1017834105 /nfs/dbraw/zinc/83/41/05/1017834105.db2.gz ZZTAUPAPCMWWMM-HUUCEWRRSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[N@H+](C)CCC(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001499409872 1018096920 /nfs/dbraw/zinc/09/69/20/1018096920.db2.gz GEWOUXFADIMMNZ-LLVKDONJSA-N 1 3 310.398 -0.628 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCC1(N[C@@H]2CCC(=O)NC2=O)CC1 ZINC001499409872 1018096937 /nfs/dbraw/zinc/09/69/37/1018096937.db2.gz GEWOUXFADIMMNZ-LLVKDONJSA-N 1 3 310.398 -0.628 20 0 DBADHO CN1CCC[C@H](NC2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1=O ZINC001499448126 1018103734 /nfs/dbraw/zinc/10/37/34/1018103734.db2.gz GBNRUVYQYUVRDT-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO CN1CCC[C@H](NC2(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1=O ZINC001499448126 1018103744 /nfs/dbraw/zinc/10/37/44/1018103744.db2.gz GBNRUVYQYUVRDT-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CC1(C(=O)N2CCC[C@H]2CN[C@@H]2CCNC2=O)CC1 ZINC001499921275 1018209981 /nfs/dbraw/zinc/20/99/81/1018209981.db2.gz TVDYFZYQLGYPDY-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO Cn1cc(CN2CC[C@@](O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001500649782 1018385993 /nfs/dbraw/zinc/38/59/93/1018385993.db2.gz BHLIOFOKOFSHBQ-GOEBONIOSA-N 1 3 321.425 -0.433 20 0 DBADHO Cn1cc(CN2CC[C@@](O)(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC001500649782 1018386002 /nfs/dbraw/zinc/38/60/02/1018386002.db2.gz BHLIOFOKOFSHBQ-GOEBONIOSA-N 1 3 321.425 -0.433 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCCO)C1)N(C)C ZINC001500722043 1018426776 /nfs/dbraw/zinc/42/67/76/1018426776.db2.gz KZVDKRQDXKLXHX-HIFRSBDPSA-N 1 3 301.431 -0.492 20 0 DBADHO CC(C)[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCCO)C1)N(C)C ZINC001500722043 1018426780 /nfs/dbraw/zinc/42/67/80/1018426780.db2.gz KZVDKRQDXKLXHX-HIFRSBDPSA-N 1 3 301.431 -0.492 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1 ZINC001501242533 1018608707 /nfs/dbraw/zinc/60/87/07/1018608707.db2.gz HWYGMNGOPWCTSI-GASCZTMLSA-N 1 3 313.442 -0.274 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001501242533 1018608721 /nfs/dbraw/zinc/60/87/21/1018608721.db2.gz HWYGMNGOPWCTSI-GASCZTMLSA-N 1 3 313.442 -0.274 20 0 DBADHO C[C@@H](O)C[NH2+]C1CCN(CCNC(=O)c2[nH]ncc2F)CC1 ZINC001501276080 1018616044 /nfs/dbraw/zinc/61/60/44/1018616044.db2.gz NIFSEUTXBNZENA-SNVBAGLBSA-N 1 3 313.377 -0.287 20 0 DBADHO O=C(N[C@]1(CO)CCCN(CCCO)C1)C12CC[NH+](CC1)C2 ZINC001501360475 1018651558 /nfs/dbraw/zinc/65/15/58/1018651558.db2.gz YCJUQJRTHOGPCL-MRXNPFEDSA-N 1 3 311.426 -0.592 20 0 DBADHO CC[C@H]([NH2+]C[C@H]1CN(C(=O)CN(C)C(C)C)CCO1)C(N)=O ZINC001502094469 1018990190 /nfs/dbraw/zinc/99/01/90/1018990190.db2.gz HSUBHRWYGCMNHU-STQMWFEESA-N 1 3 314.430 -0.593 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N1CCC[C@](CO)([NH2+]CCO)C1 ZINC001502604772 1019112541 /nfs/dbraw/zinc/11/25/41/1019112541.db2.gz RDJQVUBBXJHNNH-ZBFHGGJFSA-N 1 3 313.442 -0.204 20 0 DBADHO CC[C@H](C(=O)NC1(C[NH2+]CCCO)CCOCC1)N(C)C ZINC001502627324 1019120202 /nfs/dbraw/zinc/12/02/02/1019120202.db2.gz LCVUTHCPCSNLJI-CYBMUJFWSA-N 1 3 301.431 -0.036 20 0 DBADHO Cn1cc(CNCC2(O)CCN(C(=O)CC[NH+](C)C)CC2)cn1 ZINC001502883628 1019215759 /nfs/dbraw/zinc/21/57/59/1019215759.db2.gz QUUNQQNHTUIKDV-UHFFFAOYSA-N 1 3 323.441 -0.185 20 0 DBADHO CCCN(C)CC(=O)N1CCC(O)(C[NH2+]CCOC)CC1 ZINC001502893956 1019220170 /nfs/dbraw/zinc/22/01/70/1019220170.db2.gz AVMXHXLFDCBMAL-UHFFFAOYSA-N 1 3 301.431 -0.082 20 0 DBADHO CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2COCCN2)CC1 ZINC001575697169 1019683801 /nfs/dbraw/zinc/68/38/01/1019683801.db2.gz AYNNMWVUYIVFGL-OAHLLOKOSA-N 1 3 312.458 -0.103 20 0 DBADHO C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)N(C)CCn1cncn1 ZINC001506037924 1019683892 /nfs/dbraw/zinc/68/38/92/1019683892.db2.gz CNHBVIFRDRCBIP-ZDUSSCGKSA-N 1 3 306.414 -0.190 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1Cc1cc(C2C[NH2+]C2)no1 ZINC001576574622 1019868951 /nfs/dbraw/zinc/86/89/51/1019868951.db2.gz VMDDOFRRHNNJDJ-NSHDSACASA-N 1 3 307.398 -0.087 20 0 DBADHO C[C@H]1CN(C(=O)C2=NOC3(CNC3)C2)CC[N@@H+]1CC(C)(C)O ZINC001576763566 1019886648 /nfs/dbraw/zinc/88/66/48/1019886648.db2.gz UYUPGMZCYWDGAC-NSHDSACASA-N 1 3 310.398 -0.592 20 0 DBADHO C[C@H]1CN(C(=O)C2=NOC3(CNC3)C2)CC[N@H+]1CC(C)(C)O ZINC001576763566 1019886651 /nfs/dbraw/zinc/88/66/51/1019886651.db2.gz UYUPGMZCYWDGAC-NSHDSACASA-N 1 3 310.398 -0.592 20 0 DBADHO C[C@H]1CN(S(=O)(=O)CCCN(C)C)C[C@@]2(CC[NH2+]C2)O1 ZINC001576811711 1019895130 /nfs/dbraw/zinc/89/51/30/1019895130.db2.gz ITEBCTGWKYLEEZ-STQMWFEESA-N 1 3 305.444 -0.279 20 0 DBADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001576878294 1019916360 /nfs/dbraw/zinc/91/63/60/1019916360.db2.gz ISBHQHVDWCPQAO-LBPRGKRZSA-N 1 3 310.402 -0.679 20 0 DBADHO CN(CCOCCNCc1c[nH]nn1)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001576878294 1019916373 /nfs/dbraw/zinc/91/63/73/1019916373.db2.gz ISBHQHVDWCPQAO-LBPRGKRZSA-N 1 3 310.402 -0.679 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@H+]([C@@H]4CCNC4=O)C[C@H]32)CCC1 ZINC001506796070 1019930292 /nfs/dbraw/zinc/93/02/92/1019930292.db2.gz UKZHCGJQUCJGNA-YIYPIFLZSA-N 1 3 320.437 -0.347 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H]2[C@H]3C[N@@H+]([C@@H]4CCNC4=O)C[C@H]32)CCC1 ZINC001506796070 1019930305 /nfs/dbraw/zinc/93/03/05/1019930305.db2.gz UKZHCGJQUCJGNA-YIYPIFLZSA-N 1 3 320.437 -0.347 20 0 DBADHO C[C@@H](NCC(=O)N(C)C)[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001506843143 1019965474 /nfs/dbraw/zinc/96/54/74/1019965474.db2.gz KCBYHDCIBOZNDR-OLZOCXBDSA-N 1 3 314.430 -0.768 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001577778058 1020118877 /nfs/dbraw/zinc/11/88/77/1020118877.db2.gz BSXFLZJFZZWBTC-CYBMUJFWSA-N 1 3 323.445 -0.760 20 0 DBADHO COCC[NH2+][C@@H](CO)CNC(=O)C(C)(C)N1CCCCC1 ZINC001507193846 1020162781 /nfs/dbraw/zinc/16/27/81/1020162781.db2.gz HLSKLSSWUQNESR-CYBMUJFWSA-N 1 3 301.431 -0.036 20 0 DBADHO CN(C)[C@@H](CNC(=O)CN1CC[NH2+]C[C@H]1CO)c1ccccc1 ZINC001578406624 1020230312 /nfs/dbraw/zinc/23/03/12/1020230312.db2.gz YHHMMZBTQXENJK-HOTGVXAUSA-N 1 3 320.437 -0.328 20 0 DBADHO CN(C)CCn1nccc1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001578419098 1020236058 /nfs/dbraw/zinc/23/60/58/1020236058.db2.gz OVAIECWLDQZLIX-GFCCVEGCSA-N 1 3 310.402 -0.055 20 0 DBADHO CN(CCO)CCN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC001578472781 1020246552 /nfs/dbraw/zinc/24/65/52/1020246552.db2.gz DRXPIOXXYQZTGK-GFCCVEGCSA-N 1 3 310.402 -0.801 20 0 DBADHO C[NH+]1CCC([C@H]2CCN(S(=O)(=O)N3CCNCC3)C2)CC1 ZINC001578523262 1020255826 /nfs/dbraw/zinc/25/58/26/1020255826.db2.gz JNLQZZKAAUQVAP-AWEZNQCLSA-N 1 3 316.471 -0.200 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([NH2+]CCOCCO)[C@H]1C ZINC001507296917 1020278030 /nfs/dbraw/zinc/27/80/30/1020278030.db2.gz LKYXREMXVCXSMC-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO CN1CCN(CCCNC(=O)[C@@H](O)C[NH3+])[C@H](c2ccccc2)C1 ZINC001578533603 1020260482 /nfs/dbraw/zinc/26/04/82/1020260482.db2.gz OMGOVDZXPISJCL-HOTGVXAUSA-N 1 3 320.437 -0.199 20 0 DBADHO CN1CCN(CCCCNC(=O)CC2(O)CC[NH2+]CC2)CC1 ZINC001578533481 1020261668 /nfs/dbraw/zinc/26/16/68/1020261668.db2.gz JZPJSFBGXBLWIT-UHFFFAOYSA-N 1 3 312.458 -0.365 20 0 DBADHO C[NH2+]C[C@H](O)CN(C)C(=O)NCCCCN1CCN(C)CC1 ZINC001578646404 1020278584 /nfs/dbraw/zinc/27/85/84/1020278584.db2.gz FKSDBEFSHJTIJY-AWEZNQCLSA-N 1 3 315.462 -0.764 20 0 DBADHO COCCN1CCC(NC(=O)c2cnnn2C2C[NH2+]C2)CC1 ZINC001579039774 1020357094 /nfs/dbraw/zinc/35/70/94/1020357094.db2.gz XXIXAQSSWYYEMN-UHFFFAOYSA-N 1 3 308.386 -0.737 20 0 DBADHO CN(C[C@H](O)C[NH2+]CCO)C(=O)C(C)(C)N1CCCCC1 ZINC001507481617 1020373915 /nfs/dbraw/zinc/37/39/15/1020373915.db2.gz XTZRXKHHPMBBIM-CYBMUJFWSA-N 1 3 301.431 -0.348 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC001579272269 1020401800 /nfs/dbraw/zinc/40/18/00/1020401800.db2.gz HGVGVDXVJKSSJI-ZBFHGGJFSA-N 1 3 307.394 -0.252 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC001579272269 1020401813 /nfs/dbraw/zinc/40/18/13/1020401813.db2.gz HGVGVDXVJKSSJI-ZBFHGGJFSA-N 1 3 307.394 -0.252 20 0 DBADHO CS(=O)(=O)NC[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001579346998 1020424557 /nfs/dbraw/zinc/42/45/57/1020424557.db2.gz YIOQLXFDJYFUHF-NEPJUHHUSA-N 1 3 303.428 -0.622 20 0 DBADHO CS[C@H]1CN(C(=O)C2(C3(O)C[NH2+]C3)CCC2)C[C@@H]1N(C)C ZINC001579369510 1020432624 /nfs/dbraw/zinc/43/26/24/1020432624.db2.gz COBRGHJFZVFLAM-RYUDHWBXSA-N 1 3 313.467 -0.005 20 0 DBADHO CS[C@H]1CN(C(=O)CC2(O)CC[NH2+]CC2)C[C@H]1N(C)C ZINC001579370719 1020434252 /nfs/dbraw/zinc/43/42/52/1020434252.db2.gz UYHZDHBINZHJIV-NEPJUHHUSA-N 1 3 301.456 -0.005 20 0 DBADHO COCCN(C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001507626551 1020456720 /nfs/dbraw/zinc/45/67/20/1020456720.db2.gz LEWNOBMTDOLNIP-GJZGRUSLSA-N 1 3 313.442 -0.274 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001579448989 1020461523 /nfs/dbraw/zinc/46/15/23/1020461523.db2.gz WJVXGCOKNDJSMY-RBSFLKMASA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](C[NH3+])NC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001579476059 1020471485 /nfs/dbraw/zinc/47/14/85/1020471485.db2.gz KKWOFKSOOLMKRY-GFCCVEGCSA-N 1 3 311.430 -0.151 20 0 DBADHO CN(C)C(=O)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCN1C ZINC001508173671 1020541385 /nfs/dbraw/zinc/54/13/85/1020541385.db2.gz PBAGLWAFDSLTOJ-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CN3CCN2CCC3)C[C@H]1C(F)(F)F ZINC001580269753 1020677694 /nfs/dbraw/zinc/67/76/94/1020677694.db2.gz UOGHJUDPRBKBES-UTUOFQBUSA-N 1 3 320.359 -0.028 20 0 DBADHO [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCN2C2CCOCC2)CCO1 ZINC001580268811 1020677960 /nfs/dbraw/zinc/67/79/60/1020677960.db2.gz OJEKKPXLTQBXQL-KGLIPLIRSA-N 1 3 312.414 -0.391 20 0 DBADHO O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001580484987 1020733388 /nfs/dbraw/zinc/73/33/88/1020733388.db2.gz PDEMZXDTPXEULZ-TUAOUCFPSA-N 1 3 303.353 -0.101 20 0 DBADHO O=C1O[C@H](CN2CCN(C[C@H]3CCOC3)CC2)CC12C[NH2+]C2 ZINC001580853324 1020806511 /nfs/dbraw/zinc/80/65/11/1020806511.db2.gz GWUGDOPZSKCUOV-KGLIPLIRSA-N 1 3 309.410 -0.454 20 0 DBADHO O=C1O[C@@H](CN2CCN(C3CCOCC3)CC2)CC12C[NH2+]C2 ZINC001580853972 1020806555 /nfs/dbraw/zinc/80/65/55/1020806555.db2.gz ZLILKIYYVWMLRU-CQSZACIVSA-N 1 3 309.410 -0.312 20 0 DBADHO O=C1NCCN1CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCNCC1 ZINC001580854018 1020806848 /nfs/dbraw/zinc/80/68/48/1020806848.db2.gz ASUWYZJDBYVIOQ-GASCZTMLSA-N 1 3 307.442 -0.088 20 0 DBADHO O=C1NCCN1CCN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CCNCC1 ZINC001580854018 1020806850 /nfs/dbraw/zinc/80/68/50/1020806850.db2.gz ASUWYZJDBYVIOQ-GASCZTMLSA-N 1 3 307.442 -0.088 20 0 DBADHO O=C1O[C@@H](CN2CCN(C[C@@H]3CCOC3)CC2)CC12C[NH2+]C2 ZINC001580853325 1020807050 /nfs/dbraw/zinc/80/70/50/1020807050.db2.gz GWUGDOPZSKCUOV-UONOGXRCSA-N 1 3 309.410 -0.454 20 0 DBADHO C[C@H]1CN2CCN1C[C@H]2C(=O)NCCN(C)CCC[NH+](C)C ZINC001520328870 1021589259 /nfs/dbraw/zinc/58/92/59/1021589259.db2.gz MPXDHOQYMUWERZ-GJZGRUSLSA-N 1 3 311.474 -0.626 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001526265754 1022474003 /nfs/dbraw/zinc/47/40/03/1022474003.db2.gz ISSRKKCDXMMGEI-WVZRYYJFSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@@H]2[C@H]3CN(C(=O)CC[NH+](C)C)C[C@H]32)C1 ZINC001526275204 1022478228 /nfs/dbraw/zinc/47/82/28/1022478228.db2.gz BMZASUWDBSREHH-SZOQZIPDSA-N 1 3 322.453 -0.147 20 0 DBADHO COC(=O)NCCNC(=O)N[C@@H](C)C[N@H+](C)CCCN(C)C ZINC001564751529 1024038002 /nfs/dbraw/zinc/03/80/02/1024038002.db2.gz GTTWOLGJTGFBFQ-LBPRGKRZSA-N 1 3 317.434 -0.086 20 0 DBADHO COC(=O)NCCNC(=O)N[C@@H](C)C[N@@H+](C)CCCN(C)C ZINC001564751529 1024038016 /nfs/dbraw/zinc/03/80/16/1024038016.db2.gz GTTWOLGJTGFBFQ-LBPRGKRZSA-N 1 3 317.434 -0.086 20 0 DBADHO CN(CCCNC(=O)C[C@H]1CC[N@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC001566508642 1024224506 /nfs/dbraw/zinc/22/45/06/1024224506.db2.gz LGZNUGIQVMXJKS-OLZOCXBDSA-N 1 3 324.425 -0.429 20 0 DBADHO CN(CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)[C@H]1CCC(=O)NC1=O ZINC001566508642 1024224537 /nfs/dbraw/zinc/22/45/37/1024224537.db2.gz LGZNUGIQVMXJKS-OLZOCXBDSA-N 1 3 324.425 -0.429 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001566862443 1024392897 /nfs/dbraw/zinc/39/28/97/1024392897.db2.gz BCWQALWRRRXZOT-BETUJISGSA-N 1 3 319.471 -0.002 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H](C[NH2+]CCOCCO)C2)C1 ZINC001567141112 1024542170 /nfs/dbraw/zinc/54/21/70/1024542170.db2.gz VKTQRPNRBIHHNX-LSDHHAIUSA-N 1 3 313.442 -0.225 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H](C)C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001568205084 1024875095 /nfs/dbraw/zinc/87/50/95/1024875095.db2.gz IROWGEJKZXDLCK-NWDGAFQWSA-N 1 3 312.414 -0.525 20 0 DBADHO CCN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C12CC[NH+](CC1)C2 ZINC001568791454 1025018144 /nfs/dbraw/zinc/01/81/44/1025018144.db2.gz KCSRZVQMBLXOSP-GFCCVEGCSA-N 1 3 322.409 -0.675 20 0 DBADHO C[C@@H](CN(C)CCOCCO)NC(=O)C1CC[NH+](C)CC1 ZINC001569136732 1025154590 /nfs/dbraw/zinc/15/45/90/1025154590.db2.gz XTBDSOLXHQABCV-ZDUSSCGKSA-N 1 3 301.431 -0.226 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCC[C@H]1CNCCS(C)(=O)=O ZINC001569552683 1025274215 /nfs/dbraw/zinc/27/42/15/1025274215.db2.gz IYVGIURUPLOWSO-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO C[C@@H]([NH2+]CCOCCO)[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001569824790 1025370296 /nfs/dbraw/zinc/37/02/96/1025370296.db2.gz UEOXMLYSIPLYQO-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@H+](CCOCCO)C[C@@H]2C1 ZINC001569879877 1025385439 /nfs/dbraw/zinc/38/54/39/1025385439.db2.gz GGQHNSYTAHUJAD-BETUJISGSA-N 1 3 308.382 -0.649 20 0 DBADHO O=C(Cc1c[nH]cn1)N1C[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2C1 ZINC001569879877 1025385453 /nfs/dbraw/zinc/38/54/53/1025385453.db2.gz GGQHNSYTAHUJAD-BETUJISGSA-N 1 3 308.382 -0.649 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCCN1CCC([NH2+]CCCO)CC1 ZINC001569889114 1025387560 /nfs/dbraw/zinc/38/75/60/1025387560.db2.gz ZZBXWYCANBUVHB-UHFFFAOYSA-N 1 3 323.441 -0.187 20 0 DBADHO O=C(Cc1c[nH]cn1)N(CCO)CC[NH2+]C[C@@H]1C[C@@]12CCOC2 ZINC001569949283 1025432772 /nfs/dbraw/zinc/43/27/72/1025432772.db2.gz JTPPOCPXJFPUOK-XJKSGUPXSA-N 1 3 322.409 -0.211 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@](CO)([NH2+]CCOC)C1 ZINC001570293343 1025565101 /nfs/dbraw/zinc/56/51/01/1025565101.db2.gz AIDTXONAWFWNTG-OAHLLOKOSA-N 1 3 301.431 -0.082 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001571130202 1025851485 /nfs/dbraw/zinc/85/14/85/1025851485.db2.gz WERASBOCMWJCPB-JHJVBQTASA-N 1 3 319.471 -0.144 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)C1 ZINC001573957651 1026674904 /nfs/dbraw/zinc/67/49/04/1026674904.db2.gz WOXWTGCNEWKKQV-HUBLWGQQSA-N 1 3 312.414 -0.668 20 0 DBADHO CO[C@H]1C[NH2+][C@](C)(C(=O)N2CC(CN3CCN(C)CC3)C2)C1 ZINC001573957377 1026676328 /nfs/dbraw/zinc/67/63/28/1026676328.db2.gz PWVMTZSLGYQDRV-ZBFHGGJFSA-N 1 3 310.442 -0.541 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)C1 ZINC001573957653 1026676377 /nfs/dbraw/zinc/67/63/77/1026676377.db2.gz WOXWTGCNEWKKQV-TYNCELHUSA-N 1 3 312.414 -0.668 20 0 DBADHO COC[C@]1(CN(C)C)COCCN1C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC001573976690 1026683803 /nfs/dbraw/zinc/68/38/03/1026683803.db2.gz ZODYQPHFTUVRCP-CWRNSKLLSA-N 1 3 311.426 -0.208 20 0 DBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)C1 ZINC001574001247 1026688677 /nfs/dbraw/zinc/68/86/77/1026688677.db2.gz PHFFZSMPLDFKIB-MGPQQGTHSA-N 1 3 324.425 -0.696 20 0 DBADHO CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CN2CCC1CC2 ZINC001574057107 1026696344 /nfs/dbraw/zinc/69/63/44/1026696344.db2.gz HAIAHXRHYCGHFU-NWDGAFQWSA-N 1 3 303.428 -0.794 20 0 DBADHO CC[C@@H]([NH3+])CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418725350 529559265 /nfs/dbraw/zinc/55/92/65/529559265.db2.gz KTCRZFSBZNWBCS-CYBMUJFWSA-N 1 3 311.430 -0.327 20 0 DBADHO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410915945 529901017 /nfs/dbraw/zinc/90/10/17/529901017.db2.gz OSXBHSIIBVSQPM-GXTWGEPZSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(CC[N@@H+](C)C1CC1)C(=O)C(=O)N1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000410915945 529901018 /nfs/dbraw/zinc/90/10/18/529901018.db2.gz OSXBHSIIBVSQPM-GXTWGEPZSA-N 1 3 308.426 -0.299 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N[C@H](C)CC[NH+](C)C)n1 ZINC000341935916 138116256 /nfs/dbraw/zinc/11/62/56/138116256.db2.gz SYTLVNUHAQSXKA-LLVKDONJSA-N 1 3 311.434 -0.886 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000418467296 237361159 /nfs/dbraw/zinc/36/11/59/237361159.db2.gz IEHGEJOEOUACIZ-CHWSQXEVSA-N 1 3 311.430 -0.471 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000077839006 283555475 /nfs/dbraw/zinc/55/54/75/283555475.db2.gz RZVOGVSOYSMARA-CYBMUJFWSA-N 1 3 313.446 -0.258 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCSCC1 ZINC000556795979 283956717 /nfs/dbraw/zinc/95/67/17/283956717.db2.gz FDHJTTFUHGRSCE-UHFFFAOYSA-N 1 3 316.471 -0.486 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCc2nnn(C)c2C1 ZINC000558536877 283974833 /nfs/dbraw/zinc/97/48/33/283974833.db2.gz GAJHBKLYDKHDQS-ZDUSSCGKSA-N 1 3 322.457 -0.128 20 0 DBADHO CC[N@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000562441627 284010518 /nfs/dbraw/zinc/01/05/18/284010518.db2.gz BTRXRKTWGQZXRE-HUUCEWRRSA-N 1 3 312.458 -0.463 20 0 DBADHO CC[N@@H+](C)C[C@@H](O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000562441627 284010521 /nfs/dbraw/zinc/01/05/21/284010521.db2.gz BTRXRKTWGQZXRE-HUUCEWRRSA-N 1 3 312.458 -0.463 20 0 DBADHO CC[NH+](CC)CCOCCNC(=O)N1CCN(C)C[C@@H]1CN ZINC000562805277 284015159 /nfs/dbraw/zinc/01/51/59/284015159.db2.gz FDTHSYZFUBSILW-AWEZNQCLSA-N 1 3 315.462 -0.371 20 0 DBADHO C[N@H+](C[C@H](O)CNCCCn1nc2n(c1=O)CCCC2)C1CC1 ZINC000562984446 284019100 /nfs/dbraw/zinc/01/91/00/284019100.db2.gz IAHZPAUDYUYPEI-CQSZACIVSA-N 1 3 323.441 -0.184 20 0 DBADHO C[N@@H+](C[C@H](O)CNCCCn1nc2n(c1=O)CCCC2)C1CC1 ZINC000562984446 284019102 /nfs/dbraw/zinc/01/91/02/284019102.db2.gz IAHZPAUDYUYPEI-CQSZACIVSA-N 1 3 323.441 -0.184 20 0 DBADHO O=C(COC1CNC1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000563038228 284019898 /nfs/dbraw/zinc/01/98/98/284019898.db2.gz KHPYXVFDMMQDED-OCCSQVGLSA-N 1 3 324.425 -0.918 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC2(C[NH3+])CC2)cn1 ZINC000563083209 284022024 /nfs/dbraw/zinc/02/20/24/284022024.db2.gz AAIMONRXMCVYSW-UHFFFAOYSA-N 1 3 322.413 -0.372 20 0 DBADHO CCN1CCN(C(=O)[C@@H](C)N2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000563214857 284029115 /nfs/dbraw/zinc/02/91/15/284029115.db2.gz GHYJUSCDEBGFPC-CVEARBPZSA-N 1 3 323.485 -0.482 20 0 DBADHO CC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000563450722 284040688 /nfs/dbraw/zinc/04/06/88/284040688.db2.gz HBOSVNHNCZRTGG-QWHCGFSZSA-N 1 3 309.414 -0.576 20 0 DBADHO CCC[N@H+](CC)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563458810 284041098 /nfs/dbraw/zinc/04/10/98/284041098.db2.gz UYBLTRWVWOGPLJ-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO CCC[N@@H+](CC)CCNC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000563458810 284041102 /nfs/dbraw/zinc/04/11/02/284041102.db2.gz UYBLTRWVWOGPLJ-STQMWFEESA-N 1 3 311.430 -0.328 20 0 DBADHO COCCNCC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000563884449 284051545 /nfs/dbraw/zinc/05/15/45/284051545.db2.gz UUNVJHOSOGYHAH-JTQLQIEISA-N 1 3 312.336 -0.825 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000564470739 284061604 /nfs/dbraw/zinc/06/16/04/284061604.db2.gz WCXPAHQNNUXYKZ-STQMWFEESA-N 1 3 311.430 -0.410 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000564922913 284071841 /nfs/dbraw/zinc/07/18/41/284071841.db2.gz IBGWLZPOFCWHTF-QWHCGFSZSA-N 1 3 315.414 -0.524 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3)CCN2C1=O ZINC000565253315 284091055 /nfs/dbraw/zinc/09/10/55/284091055.db2.gz ILQYZKICKCMBQL-KGLIPLIRSA-N 1 3 317.393 -0.401 20 0 DBADHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000565255062 284091433 /nfs/dbraw/zinc/09/14/33/284091433.db2.gz OUNDULBOOAFWBW-RWMBFGLXSA-N 1 3 309.414 -0.576 20 0 DBADHO CC[N@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000565255062 284091438 /nfs/dbraw/zinc/09/14/38/284091438.db2.gz OUNDULBOOAFWBW-RWMBFGLXSA-N 1 3 309.414 -0.576 20 0 DBADHO C[N@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCC1 ZINC000565255681 284091596 /nfs/dbraw/zinc/09/15/96/284091596.db2.gz SQYSFNBHAIUFAM-ZIAGYGMSSA-N 1 3 323.441 -0.186 20 0 DBADHO C[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)C1CCCC1 ZINC000565255681 284091600 /nfs/dbraw/zinc/09/16/00/284091600.db2.gz SQYSFNBHAIUFAM-ZIAGYGMSSA-N 1 3 323.441 -0.186 20 0 DBADHO CCCC[N@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565256185 284091625 /nfs/dbraw/zinc/09/16/25/284091625.db2.gz YOJLRBHQEUPBLL-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO CCCC[N@@H+](C)CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000565256185 284091627 /nfs/dbraw/zinc/09/16/27/284091627.db2.gz YOJLRBHQEUPBLL-QWHCGFSZSA-N 1 3 311.430 -0.328 20 0 DBADHO CC[N@@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000565255064 284091645 /nfs/dbraw/zinc/09/16/45/284091645.db2.gz OUNDULBOOAFWBW-YNEHKIRRSA-N 1 3 309.414 -0.576 20 0 DBADHO CC[N@H+]1CCC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000565255064 284091649 /nfs/dbraw/zinc/09/16/49/284091649.db2.gz OUNDULBOOAFWBW-YNEHKIRRSA-N 1 3 309.414 -0.576 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000565352774 284093152 /nfs/dbraw/zinc/09/31/52/284093152.db2.gz YJWYNJPZCZJAGF-KBPBESRZSA-N 1 3 313.446 -0.619 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CCN2C1=O ZINC000565608392 284100401 /nfs/dbraw/zinc/10/04/01/284100401.db2.gz BXWLJLJSYWVPCW-KWCYVHTRSA-N 1 3 321.425 -0.576 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC[C@H]3CC[N@H+](C4CC4)C3)CCN2C1=O ZINC000565608392 284100403 /nfs/dbraw/zinc/10/04/03/284100403.db2.gz BXWLJLJSYWVPCW-KWCYVHTRSA-N 1 3 321.425 -0.576 20 0 DBADHO COC[C@@]1(C(=O)N(C)CCCN2CCN(C)CC2)CC[NH2+]C1 ZINC000565831784 284105093 /nfs/dbraw/zinc/10/50/93/284105093.db2.gz FPTCBGWXAKBXOM-MRXNPFEDSA-N 1 3 312.458 -0.292 20 0 DBADHO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000565828083 284105158 /nfs/dbraw/zinc/10/51/58/284105158.db2.gz VXHOSXZTSFNCJZ-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000643542807 374255526 /nfs/dbraw/zinc/25/55/26/374255526.db2.gz DMAMGLJNIDJEQZ-OLZOCXBDSA-N 1 3 314.430 -0.640 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)CCO1 ZINC000643544170 374260647 /nfs/dbraw/zinc/26/06/47/374260647.db2.gz VRLHGZCGZBHDRN-WCQYABFASA-N 1 3 312.414 -0.886 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)C[C@@H]21 ZINC000643591442 374288971 /nfs/dbraw/zinc/28/89/71/374288971.db2.gz MVIYFIWWQRIMEB-MQYQWHSLSA-N 1 3 306.410 -0.498 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)C[C@@H]21 ZINC000643590388 374290787 /nfs/dbraw/zinc/29/07/87/374290787.db2.gz XEVPJSQEOLMJRE-CRWXNKLISA-N 1 3 306.410 -0.641 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CCC1 ZINC000642698675 374292366 /nfs/dbraw/zinc/29/23/66/374292366.db2.gz DGJATJZSJQJCGG-RWMBFGLXSA-N 1 3 308.426 -0.217 20 0 DBADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)C1 ZINC000643592232 374292849 /nfs/dbraw/zinc/29/28/49/374292849.db2.gz LPHJQNNQWDLJIC-JKIFEVAISA-N 1 3 320.437 -0.392 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CCC1 ZINC000642698674 374292926 /nfs/dbraw/zinc/29/29/26/374292926.db2.gz DGJATJZSJQJCGG-AVGNSLFASA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643592731 374295375 /nfs/dbraw/zinc/29/53/75/374295375.db2.gz BZUMVGRYWVJNSP-LBPRGKRZSA-N 1 3 305.382 -0.464 20 0 DBADHO CN(C[C@@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000643594211 374298451 /nfs/dbraw/zinc/29/84/51/374298451.db2.gz NGRICEIRUJIPOX-MCIONIFRSA-N 1 3 308.426 -0.393 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)C[NH2+]CC2CC2)CC1 ZINC000262652188 374404791 /nfs/dbraw/zinc/40/47/91/374404791.db2.gz RNLHWZMSTUPUEW-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCN(C)C1=O ZINC000530649084 374424205 /nfs/dbraw/zinc/42/42/05/374424205.db2.gz RUFJBPRSGBHVHE-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000642732169 374464833 /nfs/dbraw/zinc/46/48/33/374464833.db2.gz PMBBOEIYGAKQBB-MELADBBJSA-N 1 3 308.426 -0.488 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)CNC[C@H]2CCCO2)C1 ZINC000237935704 374445882 /nfs/dbraw/zinc/44/58/82/374445882.db2.gz OIZBOQUGBRRXNN-QWHCGFSZSA-N 1 3 312.414 -0.932 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000642786014 374573645 /nfs/dbraw/zinc/57/36/45/374573645.db2.gz WVQKPXPXBIBPBS-ZNMIVQPWSA-N 1 3 320.437 -0.203 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1=O ZINC000634745645 374760948 /nfs/dbraw/zinc/76/09/48/374760948.db2.gz ODMSWNLMTPZRJU-XYPHTWIQSA-N 1 3 322.453 -0.146 20 0 DBADHO CN(C)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000152475611 374938762 /nfs/dbraw/zinc/93/87/62/374938762.db2.gz UHXRIBVLQPSAQX-LBPRGKRZSA-N 1 3 322.413 -0.454 20 0 DBADHO CCC[C@H](N)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000236943462 374908800 /nfs/dbraw/zinc/90/88/00/374908800.db2.gz JAFZWJMJRUKGNP-LBPRGKRZSA-N 1 3 310.402 -0.373 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642904853 374980532 /nfs/dbraw/zinc/98/05/32/374980532.db2.gz AIOQRENUKDVZIG-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000642922204 375025069 /nfs/dbraw/zinc/02/50/69/375025069.db2.gz UWNKEZRRRVNGJV-RDBSUJKOSA-N 1 3 308.426 -0.203 20 0 DBADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCCC[C@@H](N)C3=O)[C@@H]2C1 ZINC000643794151 375057099 /nfs/dbraw/zinc/05/70/99/375057099.db2.gz GJEQOTBCHBTLLA-MGPQQGTHSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCC[C@@H](N)C3=O)[C@@H]2C1 ZINC000643794151 375057104 /nfs/dbraw/zinc/05/71/04/375057104.db2.gz GJEQOTBCHBTLLA-MGPQQGTHSA-N 1 3 308.426 -0.121 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627361823 375120254 /nfs/dbraw/zinc/12/02/54/375120254.db2.gz ZXQIFOBRILNOOE-STQMWFEESA-N 1 3 314.430 -0.672 20 0 DBADHO COCCOCCN(C)CCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000635999279 375296728 /nfs/dbraw/zinc/29/67/28/375296728.db2.gz UHBWVISKQFNEDE-FOLVSLTJSA-N 1 3 313.442 -0.010 20 0 DBADHO C[NH+](C)CCNC(=O)Cn1cc(NC(=O)CNC2CC2)cn1 ZINC000569808443 375313446 /nfs/dbraw/zinc/31/34/46/375313446.db2.gz QMLUKKYHTSGIIQ-UHFFFAOYSA-N 1 3 308.386 -0.749 20 0 DBADHO OCCN(CCO)Cc1cccc(CN(CCO)CCO)c1 ZINC000148258865 375259598 /nfs/dbraw/zinc/25/95/98/375259598.db2.gz QPRRNBPXIYXDAE-UHFFFAOYSA-N 1 3 312.410 -0.740 20 0 DBADHO OCCN(CCO)Cc1cccc(C[NH+](CCO)CCO)c1 ZINC000148258865 375259601 /nfs/dbraw/zinc/25/96/01/375259601.db2.gz QPRRNBPXIYXDAE-UHFFFAOYSA-N 1 3 312.410 -0.740 20 0 DBADHO CC(C)[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)N1CCN(C)CC1 ZINC000317718163 375362700 /nfs/dbraw/zinc/36/27/00/375362700.db2.gz MUUPPEJCCSSYRR-CABCVRRESA-N 1 3 312.458 -0.247 20 0 DBADHO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000642961780 375469196 /nfs/dbraw/zinc/46/91/96/375469196.db2.gz WOKAZBNQKRHKFP-HZSPNIEDSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)N[C@@H](CN)C2CC2)C1 ZINC000642961780 375469199 /nfs/dbraw/zinc/46/91/99/375469199.db2.gz WOKAZBNQKRHKFP-HZSPNIEDSA-N 1 3 308.426 -0.217 20 0 DBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)CCN(C)C ZINC000580075249 375428877 /nfs/dbraw/zinc/42/88/77/375428877.db2.gz ZKJOXCKREVGZPR-CHWSQXEVSA-N 1 3 315.462 -0.820 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627372840 375590540 /nfs/dbraw/zinc/59/05/40/375590540.db2.gz YCCNSTXDVFTUIO-ZDUSSCGKSA-N 1 3 314.430 -0.541 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591450632 375713882 /nfs/dbraw/zinc/71/38/82/375713882.db2.gz HTHRULUISPNNPA-JSGCOSHPSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)C1 ZINC000591450632 375713890 /nfs/dbraw/zinc/71/38/90/375713890.db2.gz HTHRULUISPNNPA-JSGCOSHPSA-N 1 3 308.426 -0.121 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)C2)CC1 ZINC000592965169 375841641 /nfs/dbraw/zinc/84/16/41/375841641.db2.gz RYJVZXRBZSYPNP-JKSUJKDBSA-N 1 3 324.469 -0.151 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CCN2C1=O ZINC000594881489 375965460 /nfs/dbraw/zinc/96/54/60/375965460.db2.gz VQMPHDNJTFRGDW-VPWBDBDCSA-N 1 3 306.410 -0.463 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)[C@H]3C[NH2+]CCC3(F)F)CCN2C1=O ZINC000594879670 375965498 /nfs/dbraw/zinc/96/54/98/375965498.db2.gz GMGAKAOGFRKBKR-IVZWLZJFSA-N 1 3 302.325 -0.998 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3C(F)(F)F)CCN2C1=O ZINC000594878241 375965990 /nfs/dbraw/zinc/96/59/90/375965990.db2.gz UAKPNPJKWCBHRO-ZYUZMQFOSA-N 1 3 320.315 -0.845 20 0 DBADHO C[C@H](CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000594874013 375967272 /nfs/dbraw/zinc/96/72/72/375967272.db2.gz ZNNPYBBPPQZFHJ-XJFOESAGSA-N 1 3 308.426 -0.217 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)C3([NH3+])Cc4ccccc4C3)CCN2C1=O ZINC000594873661 375968201 /nfs/dbraw/zinc/96/82/01/375968201.db2.gz HYJZQKUZKYCVBS-KBPBESRZSA-N 1 3 314.389 -0.747 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000595262027 375982436 /nfs/dbraw/zinc/98/24/36/375982436.db2.gz GQSBKDMAZHQAOF-UBHSHLNASA-N 1 3 323.441 -0.330 20 0 DBADHO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595267291 375987570 /nfs/dbraw/zinc/98/75/70/375987570.db2.gz WCPZRRLQHOZRLX-UPJWGTAASA-N 1 3 311.430 -0.332 20 0 DBADHO CC(C)[N@H+](C)C[C@@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000595267291 375987577 /nfs/dbraw/zinc/98/75/77/375987577.db2.gz WCPZRRLQHOZRLX-UPJWGTAASA-N 1 3 311.430 -0.332 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NC3[C@@H]4CC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000595274021 375989018 /nfs/dbraw/zinc/98/90/18/375989018.db2.gz OLTWGOGXRDYWMH-UXAWBVGHSA-N 1 3 321.425 -0.544 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)NC3[C@@H]4CC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000595274020 375989407 /nfs/dbraw/zinc/98/94/07/375989407.db2.gz OLTWGOGXRDYWMH-SIGQOLJVSA-N 1 3 321.425 -0.544 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NC3[C@@H]4CC[C@H]3CC([NH3+])C4)CCN2C1=O ZINC000595274022 375989576 /nfs/dbraw/zinc/98/95/76/375989576.db2.gz OLTWGOGXRDYWMH-YPJKKVEASA-N 1 3 321.425 -0.544 20 0 DBADHO CC(C)N1CCN([C@H]2CCN(C(=O)[C@@]3(O)CCC[NH2+]C3)C2)CC1 ZINC000595947492 376058607 /nfs/dbraw/zinc/05/86/07/376058607.db2.gz MGYBMSRYSJAVNP-DOTOQJQBSA-N 1 3 324.469 -0.272 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@]3(O)CCC[NH2+]C3)C2)CC1 ZINC000595947503 376058741 /nfs/dbraw/zinc/05/87/41/376058741.db2.gz MGYBMSRYSJAVNP-WBVHZDCISA-N 1 3 324.469 -0.272 20 0 DBADHO COCCN1CC[C@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636814632 376560092 /nfs/dbraw/zinc/56/00/92/376560092.db2.gz GKEKKEIFQVZVLJ-STQMWFEESA-N 1 3 300.403 -0.927 20 0 DBADHO COCC[N@@H+]1CC[C@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636814632 376560101 /nfs/dbraw/zinc/56/01/01/376560101.db2.gz GKEKKEIFQVZVLJ-STQMWFEESA-N 1 3 300.403 -0.927 20 0 DBADHO COCC[N@H+]1CC[C@H](NC(=O)NCCN2CC[C@H](O)C2)C1 ZINC000636814632 376560110 /nfs/dbraw/zinc/56/01/10/376560110.db2.gz GKEKKEIFQVZVLJ-STQMWFEESA-N 1 3 300.403 -0.927 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCC[NH2+]C2CC2)CC1 ZINC000637297199 376780460 /nfs/dbraw/zinc/78/04/60/376780460.db2.gz GDEPCZJXJWNNLZ-AWEZNQCLSA-N 1 3 323.441 -0.314 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1COCCN1C ZINC000637447858 376829975 /nfs/dbraw/zinc/82/99/75/376829975.db2.gz SBZRQKPXOLBUAU-AWEZNQCLSA-N 1 3 315.462 -0.548 20 0 DBADHO O=C(C[NH2+]CC1CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000262629340 377071017 /nfs/dbraw/zinc/07/10/17/377071017.db2.gz DDMTWLITCDDWLX-UHFFFAOYSA-N 1 3 308.426 -0.247 20 0 DBADHO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@@H]1CN2CCN1CCC2 ZINC000534273443 377090778 /nfs/dbraw/zinc/09/07/78/377090778.db2.gz RYDURTAAMOUKHD-CVEARBPZSA-N 1 3 324.469 -0.055 20 0 DBADHO CN1CCN(C[C@@H](O)C[NH2+][C@@H](CO)CN2CCCCC2)CC1 ZINC000571165749 377153131 /nfs/dbraw/zinc/15/31/31/377153131.db2.gz KOISXYWAMQQTLY-CVEARBPZSA-N 1 3 314.474 -0.969 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627483022 377285985 /nfs/dbraw/zinc/28/59/85/377285985.db2.gz YGGOOULNLFSQPO-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NCCCn1cncn1 ZINC000607229955 377303976 /nfs/dbraw/zinc/30/39/76/377303976.db2.gz FCWOZLFAUOKWBE-UHFFFAOYSA-N 1 3 311.434 -0.197 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000637863863 377605310 /nfs/dbraw/zinc/60/53/10/377605310.db2.gz IOPUHAUVNDEJGP-UKRRQHHQSA-N 1 3 306.410 -0.334 20 0 DBADHO O=C(CN1CCNCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000638102195 377839865 /nfs/dbraw/zinc/83/98/65/377839865.db2.gz TUCQZGAUWNOXQN-UHFFFAOYSA-N 1 3 310.442 -0.347 20 0 DBADHO [NH3+][C@H]1CC=C(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000638099796 377836650 /nfs/dbraw/zinc/83/66/50/377836650.db2.gz VKJTUFZWXFGTNN-AWEZNQCLSA-N 1 3 306.410 -0.200 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638096958 377836876 /nfs/dbraw/zinc/83/68/76/377836876.db2.gz ONFNIHVLOSRCJL-YNEHKIRRSA-N 1 3 312.414 -0.839 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638096957 377837928 /nfs/dbraw/zinc/83/79/28/377837928.db2.gz ONFNIHVLOSRCJL-RWMBFGLXSA-N 1 3 312.414 -0.839 20 0 DBADHO [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CN2CCNCC2)C1 ZINC000638392642 377890994 /nfs/dbraw/zinc/89/09/94/377890994.db2.gz FWXCNBPDTODYBI-ILXRZTDVSA-N 1 3 310.442 -0.221 20 0 DBADHO C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@]3(C)CNCCO3)C2)CC1 ZINC000638116287 377841998 /nfs/dbraw/zinc/84/19/98/377841998.db2.gz JEHIOINSITXZDX-CZUORRHYSA-N 1 3 310.442 -0.350 20 0 DBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@@]3(C[NH3+])CCCOC3)CC2)C1 ZINC000638139920 377850412 /nfs/dbraw/zinc/85/04/12/377850412.db2.gz QJGGKLIJVVQNKA-NVXWUHKLSA-N 1 3 324.469 -0.020 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638136924 377850950 /nfs/dbraw/zinc/85/09/50/377850950.db2.gz PGHGGKLKRCWNIC-FMKPAKJESA-N 1 3 312.458 -0.104 20 0 DBADHO C[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)CN1CCN(C)CC1 ZINC000638138280 377851372 /nfs/dbraw/zinc/85/13/72/377851372.db2.gz ZQRNLNUQDHJRJK-GOEBONIOSA-N 1 3 312.458 -0.258 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638136716 377851709 /nfs/dbraw/zinc/85/17/09/377851709.db2.gz ADDCGADAJSHGFG-ZBFHGGJFSA-N 1 3 312.458 -0.103 20 0 DBADHO CN(Cc1ccccc1)C[C@@H](N)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000638169625 377855811 /nfs/dbraw/zinc/85/58/11/377855811.db2.gz BPWSOIUGGXREDM-HUUCEWRRSA-N 1 3 306.410 -0.368 20 0 DBADHO COC[C@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCCN1 ZINC000638227010 377860604 /nfs/dbraw/zinc/86/06/04/377860604.db2.gz LSRXJZMJKGWYKB-ZBFHGGJFSA-N 1 3 310.442 -0.349 20 0 DBADHO CN(C)CCn1cc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cn1 ZINC000638226661 377860877 /nfs/dbraw/zinc/86/08/77/377860877.db2.gz HUMQOIBHCRKMRH-OAHLLOKOSA-N 1 3 320.441 -0.436 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC2(C[NH3+])CCOCC2)CC1=O ZINC000638634352 378037191 /nfs/dbraw/zinc/03/71/91/378037191.db2.gz PLKPPDWHDHEIPL-GFCCVEGCSA-N 1 3 312.414 -0.979 20 0 DBADHO O=C(C[C@@H]1CNCCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638778807 378078600 /nfs/dbraw/zinc/07/86/00/378078600.db2.gz GIUMZBUJTBXTHY-LSDHHAIUSA-N 1 3 311.426 -0.018 20 0 DBADHO C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1COCCN1 ZINC000638613246 378026548 /nfs/dbraw/zinc/02/65/48/378026548.db2.gz UWHQWYGXTKVBAT-LSDHHAIUSA-N 1 3 306.410 -0.450 20 0 DBADHO C[N@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1COCCN1 ZINC000638613246 378026559 /nfs/dbraw/zinc/02/65/59/378026559.db2.gz UWHQWYGXTKVBAT-LSDHHAIUSA-N 1 3 306.410 -0.450 20 0 DBADHO COC(=O)CC[C@H](N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000342766790 378115562 /nfs/dbraw/zinc/11/55/62/378115562.db2.gz XKGPOJQARGHQQJ-GWCFXTLKSA-N 1 3 303.428 -0.180 20 0 DBADHO COCC[NH+]1CCC(NC(=O)C(=O)N(C)CCN(C)C)CC1 ZINC000343014358 378136454 /nfs/dbraw/zinc/13/64/54/378136454.db2.gz IOMCTYNQOXRVFR-UHFFFAOYSA-N 1 3 314.430 -0.767 20 0 DBADHO CCN1CCC[C@@H]1CNC(=O)C(=O)NCCOCCC[NH3+] ZINC000627488250 378148481 /nfs/dbraw/zinc/14/84/81/378148481.db2.gz UUHFGAUIFHKNSX-GFCCVEGCSA-N 1 3 300.403 -0.932 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000342364472 378094661 /nfs/dbraw/zinc/09/46/61/378094661.db2.gz TXOJRDGMQIUXLF-NWDGAFQWSA-N 1 3 323.445 -0.744 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)n1 ZINC000342364472 378094663 /nfs/dbraw/zinc/09/46/63/378094663.db2.gz TXOJRDGMQIUXLF-NWDGAFQWSA-N 1 3 323.445 -0.744 20 0 DBADHO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)NCCN(C)C1CC1 ZINC000343296409 378317603 /nfs/dbraw/zinc/31/76/03/378317603.db2.gz MKEMBSJKHRCIFO-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C2CC2)CN1C1CC1 ZINC000343305621 378331239 /nfs/dbraw/zinc/33/12/39/378331239.db2.gz SAXRFVFGFQYUBC-VXGBXAGGSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[N@@H+](C)C2CC2)CN1C1CC1 ZINC000343305621 378331243 /nfs/dbraw/zinc/33/12/43/378331243.db2.gz SAXRFVFGFQYUBC-VXGBXAGGSA-N 1 3 308.426 -0.062 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NCC2(C)CC[NH2+]CC2)CC1=O ZINC000183379350 378331376 /nfs/dbraw/zinc/33/13/76/378331376.db2.gz MVFDUYIFEGUUIX-CYBMUJFWSA-N 1 3 310.442 -0.098 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000583511673 378406274 /nfs/dbraw/zinc/40/62/74/378406274.db2.gz RTCJADUQEDEKGV-JHJVBQTASA-N 1 3 309.414 -0.528 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)NCCC[C@H]3CCC[NH2+]3)CCN2C1=O ZINC000583511672 378406867 /nfs/dbraw/zinc/40/68/67/378406867.db2.gz RTCJADUQEDEKGV-FRRDWIJNSA-N 1 3 309.414 -0.528 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351553390 378501131 /nfs/dbraw/zinc/50/11/31/378501131.db2.gz DTKMQICACKNSPK-RDBSUJKOSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000332235605 378542910 /nfs/dbraw/zinc/54/29/10/378542910.db2.gz OFLPMAXHZOKZGP-MCIONIFRSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000332598346 378546050 /nfs/dbraw/zinc/54/60/50/378546050.db2.gz OAKYPVVMPPCQQZ-SYQHCUMBSA-N 1 3 308.426 -0.204 20 0 DBADHO COCCN(C)C[C@H](O)CN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765959 378637296 /nfs/dbraw/zinc/63/72/96/378637296.db2.gz KWJBMPPOBSGTJZ-GJZGRUSLSA-N 1 3 303.447 -0.686 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC000353432268 378661921 /nfs/dbraw/zinc/66/19/21/378661921.db2.gz VLUMRIGPXMUCDX-MJBXVCDLSA-N 1 3 308.426 -0.536 20 0 DBADHO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)[C@]1(F)CCNC1 ZINC000367179868 378757223 /nfs/dbraw/zinc/75/72/23/378757223.db2.gz QQOCLIRUHZXDMD-KOLCDFICSA-N 1 3 312.311 -0.360 20 0 DBADHO COC[C@H](N)C(=O)NCCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000354067817 378704468 /nfs/dbraw/zinc/70/44/68/378704468.db2.gz GQDNOCOTYFHJNQ-HNNXBMFYSA-N 1 3 321.425 -0.316 20 0 DBADHO C[C@@H](C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1C[NH2+]C1 ZINC000357249979 378931355 /nfs/dbraw/zinc/93/13/55/378931355.db2.gz SRGYFMKBCQWAEO-CYBMUJFWSA-N 1 3 308.426 -0.392 20 0 DBADHO CC(C)[C@@H]1CN([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCN1C ZINC000362534479 379447365 /nfs/dbraw/zinc/44/73/65/379447365.db2.gz QGEKVDGIJITSPQ-KGLIPLIRSA-N 1 3 310.442 -0.053 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582371635 379643765 /nfs/dbraw/zinc/64/37/65/379643765.db2.gz GWPAFXHQJLOZGS-MELADBBJSA-N 1 3 323.441 -0.186 20 0 DBADHO CCC[N@H+]1CCC[C@H]1CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000582371635 379643767 /nfs/dbraw/zinc/64/37/67/379643767.db2.gz GWPAFXHQJLOZGS-MELADBBJSA-N 1 3 323.441 -0.186 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1=O ZINC000118879806 379604803 /nfs/dbraw/zinc/60/48/03/379604803.db2.gz AOTCYBVPKYWVFO-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CC1=O ZINC000118879806 379604814 /nfs/dbraw/zinc/60/48/14/379604814.db2.gz AOTCYBVPKYWVFO-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO N[C@H](CC(F)F)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000582421373 379652332 /nfs/dbraw/zinc/65/23/32/379652332.db2.gz AKWKNKIYDLTCDK-VHSXEESVSA-N 1 3 306.357 -0.185 20 0 DBADHO CCCN(C(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[C@@H]1CC[NH2+]C1 ZINC000178909090 379736979 /nfs/dbraw/zinc/73/69/79/379736979.db2.gz GHQGYXOJFKZNIC-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1C[C@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000181036799 379747909 /nfs/dbraw/zinc/74/79/09/379747909.db2.gz BCGPHUODJRSIBJ-BZUAXINKSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@@H]1C[C@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@H+]1C ZINC000181036799 379747910 /nfs/dbraw/zinc/74/79/10/379747910.db2.gz BCGPHUODJRSIBJ-BZUAXINKSA-N 1 3 324.469 -0.008 20 0 DBADHO CC[NH+]1CCC(N(C)S(=O)(=O)C[C@H]2CNCCO2)CC1 ZINC000313425383 379796539 /nfs/dbraw/zinc/79/65/39/379796539.db2.gz XZJSTRUPXYDALR-CYBMUJFWSA-N 1 3 305.444 -0.279 20 0 DBADHO O=C(CNC(=O)N[C@H]1CC[NH2+]C1)NCCN1CCCCCC1 ZINC000418382774 379786591 /nfs/dbraw/zinc/78/65/91/379786591.db2.gz MXGDDAQCGGCDEC-ZDUSSCGKSA-N 1 3 311.430 -0.360 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)C1CC1 ZINC000419860876 379983214 /nfs/dbraw/zinc/98/32/14/379983214.db2.gz LFUXUBAWPUMZEF-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000419574923 379941507 /nfs/dbraw/zinc/94/15/07/379941507.db2.gz AHTNKNAFKXLBAJ-BXUZGUMPSA-N 1 3 316.471 -0.346 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000419587837 379943638 /nfs/dbraw/zinc/94/36/38/379943638.db2.gz NWBWJIRFJYFZEH-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C(=O)N1CCCNCC1 ZINC000419698483 379956123 /nfs/dbraw/zinc/95/61/23/379956123.db2.gz SYXVQCFCEZZKPE-ZDUSSCGKSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)C(=O)N1CCCNCC1 ZINC000419698483 379956128 /nfs/dbraw/zinc/95/61/28/379956128.db2.gz SYXVQCFCEZZKPE-ZDUSSCGKSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCN(C3CCCC3)C2)C[C@H]1[NH3+] ZINC000419697437 379956619 /nfs/dbraw/zinc/95/66/19/379956619.db2.gz QPTRPNGQUGDXNF-MBNYWOFBSA-N 1 3 308.426 -0.075 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000419872063 379985000 /nfs/dbraw/zinc/98/50/00/379985000.db2.gz UCYBRROGMGWTGL-HZSPNIEDSA-N 1 3 308.426 -0.075 20 0 DBADHO CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000419872065 379985476 /nfs/dbraw/zinc/98/54/76/379985476.db2.gz UCYBRROGMGWTGL-RDBSUJKOSA-N 1 3 308.426 -0.075 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419903171 379993019 /nfs/dbraw/zinc/99/30/19/379993019.db2.gz ITRJJTNZZMUDHV-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N1CCC[C@@H]1CN1CCCC1 ZINC000419912490 379994549 /nfs/dbraw/zinc/99/45/49/379994549.db2.gz ITRJJTNZZMUDHV-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@H]1CCCO1 ZINC000419946177 380002974 /nfs/dbraw/zinc/00/29/74/380002974.db2.gz DOZLEQRHAQLNPI-CHWSQXEVSA-N 1 3 314.430 -0.733 20 0 DBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1 ZINC000420013649 380006515 /nfs/dbraw/zinc/00/65/15/380006515.db2.gz LULUQBFVJOCJNJ-LLVKDONJSA-N 1 3 321.381 -0.798 20 0 DBADHO COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000420015672 380006868 /nfs/dbraw/zinc/00/68/68/380006868.db2.gz LULUQBFVJOCJNJ-NSHDSACASA-N 1 3 321.381 -0.798 20 0 DBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420016216 380008883 /nfs/dbraw/zinc/00/88/83/380008883.db2.gz MIFSRBLXFBOEAF-SGMGOOAPSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420016216 380008890 /nfs/dbraw/zinc/00/88/90/380008890.db2.gz MIFSRBLXFBOEAF-SGMGOOAPSA-N 1 3 308.426 -0.075 20 0 DBADHO COCC[NH2+]CCNC(=O)C(=O)N(C)[C@H]1CCN(C(C)C)C1 ZINC000420179783 380038961 /nfs/dbraw/zinc/03/89/61/380038961.db2.gz GILPIDLGAZBLQR-ZDUSSCGKSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[NH+](CC)[C@H](C)CNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000571821957 380120859 /nfs/dbraw/zinc/12/08/59/380120859.db2.gz YZMDPUBKTLKWIV-FRRDWIJNSA-N 1 3 311.430 -0.330 20 0 DBADHO [NH3+]C1(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CCOCC1 ZINC000261686889 380153767 /nfs/dbraw/zinc/15/37/67/380153767.db2.gz CVVNHDOHSWPGKH-UHFFFAOYSA-N 1 3 324.425 -0.739 20 0 DBADHO C[C@@H]1CCN(C(=O)C(=O)N2CCC[C@H](N(C)C)C2)C[C@H]1C[NH3+] ZINC000423239063 380317922 /nfs/dbraw/zinc/31/79/22/380317922.db2.gz RQSJZICBSYUBHZ-MCIONIFRSA-N 1 3 310.442 -0.018 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423268841 380319531 /nfs/dbraw/zinc/31/95/31/380319531.db2.gz VECKYPCCXVBZGJ-CHWSQXEVSA-N 1 3 314.430 -0.781 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423268847 380319624 /nfs/dbraw/zinc/31/96/24/380319624.db2.gz VECKYPCCXVBZGJ-STQMWFEESA-N 1 3 314.430 -0.781 20 0 DBADHO CCN(CC)CCN(CCOC)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423260894 380320977 /nfs/dbraw/zinc/32/09/77/380320977.db2.gz IQKSFKAYUSNFQU-ZDUSSCGKSA-N 1 3 314.430 -0.637 20 0 DBADHO CN(C)CCN(Cc1ccco1)C(=O)C(=O)N1CC[C@H]([NH3+])C1 ZINC000423358872 380327698 /nfs/dbraw/zinc/32/76/98/380327698.db2.gz CGPIVSXDOGXSOJ-LBPRGKRZSA-N 1 3 308.382 -0.271 20 0 DBADHO COc1cnccc1N1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1 ZINC000423389664 380335354 /nfs/dbraw/zinc/33/53/54/380335354.db2.gz VLDAZVPXNAXLNJ-UHFFFAOYSA-N 1 3 321.381 -0.844 20 0 DBADHO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCC[C@H](N3CCCC3)C2)C1 ZINC000423147596 380311361 /nfs/dbraw/zinc/31/13/61/380311361.db2.gz DAWFEJTYVUQHPV-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000423501240 380340482 /nfs/dbraw/zinc/34/04/82/380340482.db2.gz BEUVEMGDSDSJJL-JSGCOSHPSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@@]1(C)C[NH3+] ZINC000423509871 380341552 /nfs/dbraw/zinc/34/15/52/380341552.db2.gz MWQKAUDJSDFTMO-MLGOLLRUSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@H]1CCN(C(=O)C(=O)N(C)CCN(C)C2CC2)C[C@@H]1C[NH3+] ZINC000423524907 380344107 /nfs/dbraw/zinc/34/41/07/380344107.db2.gz OVTHQPLVBRDPPT-STQMWFEESA-N 1 3 310.442 -0.018 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643489753 380360062 /nfs/dbraw/zinc/36/00/62/380360062.db2.gz FOQWINCKIOEBFE-SOUVJXGZSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)N1CC[C@H](N2CCCC2)C1 ZINC000643504128 380499750 /nfs/dbraw/zinc/49/97/50/380499750.db2.gz FEKYYHWLVBWWQW-KKUMJFAQSA-N 1 3 320.437 -0.107 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)NC1CCN(CCOC)CC1 ZINC000626950794 380514264 /nfs/dbraw/zinc/51/42/64/380514264.db2.gz BMJUSZHOGSHJGM-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000643513436 380532537 /nfs/dbraw/zinc/53/25/37/380532537.db2.gz SSFVCVQGQFGYLG-BBRMVZONSA-N 1 3 306.410 -0.495 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643516728 380543737 /nfs/dbraw/zinc/54/37/37/380543737.db2.gz OKEXCVYQMWRGKC-LXTVHRRPSA-N 1 3 320.437 -0.108 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)C[C@H]1N(C)C ZINC000643520829 380548142 /nfs/dbraw/zinc/54/81/42/380548142.db2.gz WASZCAWXMBYFLZ-ZOBORPQBSA-N 1 3 308.426 -0.395 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)C[C@@H]1N(C)C ZINC000643520765 380548174 /nfs/dbraw/zinc/54/81/74/380548174.db2.gz MLZFVPDQTXMXOM-DVOMOZLQSA-N 1 3 308.426 -0.393 20 0 DBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000629799119 380724971 /nfs/dbraw/zinc/72/49/71/380724971.db2.gz MUPJIWWPRIFGMV-OLZOCXBDSA-N 1 3 312.414 -0.885 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000629801706 380725498 /nfs/dbraw/zinc/72/54/98/380725498.db2.gz OHIACNHYXHCANW-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO CCN(CCN)C(=O)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000629801706 380725504 /nfs/dbraw/zinc/72/55/04/380725504.db2.gz OHIACNHYXHCANW-AWEZNQCLSA-N 1 3 310.442 -0.016 20 0 DBADHO CCNCc1ccn(Cc2cn(C[C@@H](O)C[N@H+](C)CC)nn2)n1 ZINC000641223582 380865724 /nfs/dbraw/zinc/86/57/24/380865724.db2.gz UHNSZCUCGGCXLF-HNNXBMFYSA-N 1 3 321.429 -0.055 20 0 DBADHO CCNCc1ccn(Cc2cn(C[C@@H](O)C[N@@H+](C)CC)nn2)n1 ZINC000641223582 380865732 /nfs/dbraw/zinc/86/57/32/380865732.db2.gz UHNSZCUCGGCXLF-HNNXBMFYSA-N 1 3 321.429 -0.055 20 0 DBADHO O=C(NC[C@H]1CNCCO1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000642015677 380982639 /nfs/dbraw/zinc/98/26/39/380982639.db2.gz NDVRNXDKUHPBBT-CQSZACIVSA-N 1 3 305.382 -0.098 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000626987032 381050271 /nfs/dbraw/zinc/05/02/71/381050271.db2.gz UTMVTCZUUUERBB-AWEZNQCLSA-N 1 3 315.462 -0.595 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC000626987033 381051167 /nfs/dbraw/zinc/05/11/67/381051167.db2.gz UTMVTCZUUUERBB-CQSZACIVSA-N 1 3 315.462 -0.595 20 0 DBADHO CN(C)S(=O)(=O)CCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000572524431 381070837 /nfs/dbraw/zinc/07/08/37/381070837.db2.gz ONJBRZQJAISQJY-CYBMUJFWSA-N 1 3 319.471 -0.045 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)N(C)CCOCC[NH3+] ZINC000626974138 381043207 /nfs/dbraw/zinc/04/32/07/381043207.db2.gz AEUCZHSCTSQEBN-ZDUSSCGKSA-N 1 3 302.419 -0.286 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626975303 381043407 /nfs/dbraw/zinc/04/34/07/381043407.db2.gz ROODQVXTTGYQGM-CYBMUJFWSA-N 1 3 314.430 -0.096 20 0 DBADHO C[NH2+]CCOCCNC(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC000627116054 381097144 /nfs/dbraw/zinc/09/71/44/381097144.db2.gz GGHYMFAPSWYHDK-AWEZNQCLSA-N 1 3 314.430 -0.225 20 0 DBADHO [NH3+]C1(CNC(=O)NC[C@H]2CCCN2CCCO)CCOCC1 ZINC000627149245 381110787 /nfs/dbraw/zinc/11/07/87/381110787.db2.gz XJYCFUOTBQYTHI-CYBMUJFWSA-N 1 3 314.430 -0.360 20 0 DBADHO [NH3+]C1(CNC(=O)N[C@@H]2CCCN(CCCO)C2)CCOCC1 ZINC000627148462 381111063 /nfs/dbraw/zinc/11/10/63/381111063.db2.gz DLWVQHJZSZCJPO-CYBMUJFWSA-N 1 3 314.430 -0.360 20 0 DBADHO [NH3+]C1(CNC(=O)NC[C@@H]2CCCN2CCCO)CCOCC1 ZINC000627149247 381111202 /nfs/dbraw/zinc/11/12/02/381111202.db2.gz XJYCFUOTBQYTHI-ZDUSSCGKSA-N 1 3 314.430 -0.360 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000126274367 381331150 /nfs/dbraw/zinc/33/11/50/381331150.db2.gz PPTVKSIHCJLICH-DZGCQCFKSA-N 1 3 316.446 -0.291 20 0 DBADHO Cc1conc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000130560476 381405839 /nfs/dbraw/zinc/40/58/39/381405839.db2.gz UOAMDEHQBLSITF-UHFFFAOYSA-N 1 3 311.386 -0.127 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@H+](C)C1CC1 ZINC000073331395 381434062 /nfs/dbraw/zinc/43/40/62/381434062.db2.gz AXFSZQWTIGZFQQ-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CNC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)[N@@H+](C)C1CC1 ZINC000073331395 381434070 /nfs/dbraw/zinc/43/40/70/381434070.db2.gz AXFSZQWTIGZFQQ-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])nn1C ZINC000547535201 381482766 /nfs/dbraw/zinc/48/27/66/381482766.db2.gz GWVSHGQLERKPDM-UHFFFAOYSA-N 1 3 312.374 -0.106 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566237994 381646194 /nfs/dbraw/zinc/64/61/94/381646194.db2.gz YOWAMLNIOJHKMG-RYUDHWBXSA-N 1 3 302.419 -0.735 20 0 DBADHO CC(C)OC[C@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567682422 381708300 /nfs/dbraw/zinc/70/83/00/381708300.db2.gz QFSHYASAWYPAMV-ZIAGYGMSSA-N 1 3 301.431 -0.051 20 0 DBADHO CC(C)OC[C@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567682422 381708308 /nfs/dbraw/zinc/70/83/08/381708308.db2.gz QFSHYASAWYPAMV-ZIAGYGMSSA-N 1 3 301.431 -0.051 20 0 DBADHO CN(C)[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)Cc1ccccc1 ZINC000567149814 381682758 /nfs/dbraw/zinc/68/27/58/381682758.db2.gz WOZVUKCGPMADDU-AWEZNQCLSA-N 1 3 304.394 -0.637 20 0 DBADHO C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC2CNC2)C1 ZINC000567573310 381702581 /nfs/dbraw/zinc/70/25/81/381702581.db2.gz VHIQKTXYLSCNRO-RYUDHWBXSA-N 1 3 310.442 -0.053 20 0 DBADHO CNS(=O)(=O)CCCN1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000569222773 381792169 /nfs/dbraw/zinc/79/21/69/381792169.db2.gz QYTNBNHRIUWKNL-GFCCVEGCSA-N 1 3 305.444 -0.387 20 0 DBADHO N[C@H](CC(F)F)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572760166 381800644 /nfs/dbraw/zinc/80/06/44/381800644.db2.gz JCEVWYSGPFLZAH-HTQZYQBOSA-N 1 3 318.290 -0.079 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NCCC[NH+]3CCCCC3)CCN2C1=O ZINC000572663503 381795477 /nfs/dbraw/zinc/79/54/77/381795477.db2.gz QWNPKMDIRYYRCP-KBPBESRZSA-N 1 3 323.441 -0.184 20 0 DBADHO COC[C@@]1(C(=O)NCCCCN2CCN(C)CC2)CC[NH2+]C1 ZINC000568624551 381764992 /nfs/dbraw/zinc/76/49/92/381764992.db2.gz OGOKYIKFBYSFEV-MRXNPFEDSA-N 1 3 312.458 -0.244 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H]1N(C)C ZINC000573793508 381840739 /nfs/dbraw/zinc/84/07/39/381840739.db2.gz YVQTUJSLGMXQOB-JKIFEVAISA-N 1 3 322.453 -0.003 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)C[C@H]([NH3+])c3ccccc3)CCN2C1=O ZINC000573817721 381842601 /nfs/dbraw/zinc/84/26/01/381842601.db2.gz ZQAUIWSUCSXZPF-HZSPNIEDSA-N 1 3 302.378 -0.153 20 0 DBADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000573075137 381811903 /nfs/dbraw/zinc/81/19/03/381811903.db2.gz HWEBUCBULOEFND-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(C)CCN(Cc1ccsc1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000574025353 381846827 /nfs/dbraw/zinc/84/68/27/381846827.db2.gz BBSJOIGWSZAZEL-UHFFFAOYSA-N 1 3 310.423 -0.274 20 0 DBADHO CCC[N@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CC(=O)N(C)C1=O ZINC000575850682 381900111 /nfs/dbraw/zinc/90/01/11/381900111.db2.gz NUKBEFNFFAYFEC-STQMWFEESA-N 1 3 324.425 -0.347 20 0 DBADHO CCC[N@@H+](C[C@@H]1CCCN(C(=O)CN)C1)[C@H]1CC(=O)N(C)C1=O ZINC000575850682 381900117 /nfs/dbraw/zinc/90/01/17/381900117.db2.gz NUKBEFNFFAYFEC-STQMWFEESA-N 1 3 324.425 -0.347 20 0 DBADHO CN1CCC[C@@]2(CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)C1 ZINC000575859984 381901501 /nfs/dbraw/zinc/90/15/01/381901501.db2.gz AFOHZZLFMZCKEH-JKIFEVAISA-N 1 3 320.437 -0.249 20 0 DBADHO CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](N)CC(=O)OC)CC1 ZINC000576277770 381918343 /nfs/dbraw/zinc/91/83/43/381918343.db2.gz RFJJSMDALZYKMY-STQMWFEESA-N 1 3 314.430 -0.733 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000577530180 381964600 /nfs/dbraw/zinc/96/46/00/381964600.db2.gz AATHXPPUGUQMGK-ZMJPVWNMSA-N 1 3 321.425 -0.435 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C[N@H+]1C1CC1 ZINC000577530180 381964614 /nfs/dbraw/zinc/96/46/14/381964614.db2.gz AATHXPPUGUQMGK-ZMJPVWNMSA-N 1 3 321.425 -0.435 20 0 DBADHO CN(C)CCN(Cc1cccs1)C(=O)C(=O)NC1C[NH2+]C1 ZINC000577714006 381970090 /nfs/dbraw/zinc/97/00/90/381970090.db2.gz VOPDMJLETLHKMX-UHFFFAOYSA-N 1 3 310.423 -0.274 20 0 DBADHO CCN1CCN([C@@H](C)CNC(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000577734884 381972962 /nfs/dbraw/zinc/97/29/62/381972962.db2.gz OADSLOWBJTVFSS-GOEBONIOSA-N 1 3 312.458 -0.245 20 0 DBADHO O=C(CCNC(=O)[C@H]1CCC[NH2+]1)N1CC[C@H](N2CCCC2)C1 ZINC000578009400 381983847 /nfs/dbraw/zinc/98/38/47/381983847.db2.gz SBMSGLBBFXHORE-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(NC1C[NH2+]C1)C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000578982500 382043244 /nfs/dbraw/zinc/04/32/44/382043244.db2.gz QMNDDIGSIRJVKZ-UHFFFAOYSA-N 1 3 316.405 -0.145 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000578767396 382033939 /nfs/dbraw/zinc/03/39/39/382033939.db2.gz UCIMBFBZXVHAQG-RNJOBUHISA-N 1 3 309.414 -0.543 20 0 DBADHO C[C@H](CNC(=O)C(=O)NC1C[NH2+]C1)N(C)Cc1ccccc1 ZINC000580882822 382117596 /nfs/dbraw/zinc/11/75/96/382117596.db2.gz NJFVDHZOXTUELL-GFCCVEGCSA-N 1 3 304.394 -0.289 20 0 DBADHO O=C(N[C@H]1CCN(C2CC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000579572045 382075739 /nfs/dbraw/zinc/07/57/39/382075739.db2.gz WGZRXHLEVUAIQS-DZGCQCFKSA-N 1 3 307.442 -0.088 20 0 DBADHO COC(=O)C1CCN(CCCNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000581129066 382131237 /nfs/dbraw/zinc/13/12/37/382131237.db2.gz LDWXTRGYMKKLFS-CYBMUJFWSA-N 1 3 315.414 -0.259 20 0 DBADHO CCN1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627292894 382356592 /nfs/dbraw/zinc/35/65/92/382356592.db2.gz GWXYYNJAUSIKMF-CYBMUJFWSA-N 1 3 308.426 -0.012 20 0 DBADHO CCN1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627292895 382356718 /nfs/dbraw/zinc/35/67/18/382356718.db2.gz GWXYYNJAUSIKMF-ZDUSSCGKSA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H]1CC[C@@H](NC(=O)C(=O)NC2CCN(C3CC3)CC2)C[NH2+]1 ZINC000627323401 382492581 /nfs/dbraw/zinc/49/25/81/382492581.db2.gz VMKMHGKMEYVQNF-DGCLKSJQSA-N 1 3 308.426 -0.014 20 0 DBADHO CN(CCNC(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)C1CC1 ZINC000627318801 382486494 /nfs/dbraw/zinc/48/64/94/382486494.db2.gz APVXZVAFZHVRSO-IYBDPMFKSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCC1 ZINC000627341129 382525788 /nfs/dbraw/zinc/52/57/88/382525788.db2.gz AEHLEVKMIGJDSA-GFCCVEGCSA-N 1 3 308.426 -0.012 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)CCC1 ZINC000627341130 382526441 /nfs/dbraw/zinc/52/64/41/382526441.db2.gz AEHLEVKMIGJDSA-LBPRGKRZSA-N 1 3 308.426 -0.012 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)CC1=O ZINC000621699226 382499055 /nfs/dbraw/zinc/49/90/55/382499055.db2.gz PEAPXTQBMKWAQT-WWGRRREGSA-N 1 3 308.426 -0.264 20 0 DBADHO CCN(CCNC(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1)C1CC1 ZINC000621843361 382515305 /nfs/dbraw/zinc/51/53/05/382515305.db2.gz DEKXUZOOHKXNTP-BLLLJJGKSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)N(C)C1CC1 ZINC000621843467 382515397 /nfs/dbraw/zinc/51/53/97/382515397.db2.gz FWVIWMYIUAKZIU-XHBSWPGZSA-N 1 3 308.426 -0.075 20 0 DBADHO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C(=O)N[C@@H]1CCN(CC3CC3)C1)C2 ZINC000621845224 382516574 /nfs/dbraw/zinc/51/65/74/382516574.db2.gz FRQSCZLHQCLEPW-CPUCHLNUSA-N 1 3 320.437 -0.073 20 0 DBADHO [NH3+][C@]12CCC[C@H]1CN(C(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)C2 ZINC000621845227 382516585 /nfs/dbraw/zinc/51/65/85/382516585.db2.gz FRQSCZLHQCLEPW-ZQIUZPCESA-N 1 3 320.437 -0.073 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)NCC1([NH3+])CCOCC1 ZINC000627346513 382532179 /nfs/dbraw/zinc/53/21/79/382532179.db2.gz UARIILBJFNXGHQ-UHFFFAOYSA-N 1 3 314.430 -0.541 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622026940 382535094 /nfs/dbraw/zinc/53/50/94/382535094.db2.gz VIFAKJJXVZJBLU-CZUORRHYSA-N 1 3 308.426 -0.120 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N(C)CCOCC[NH3+] ZINC000627357439 382618192 /nfs/dbraw/zinc/61/81/92/382618192.db2.gz GOPBDHMLILXUSJ-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N[C@@H](C)C1=CCN(C)CC1 ZINC000627376912 382620456 /nfs/dbraw/zinc/62/04/56/382620456.db2.gz RVUPOYKSCWDTDO-LBPRGKRZSA-N 1 3 312.414 -0.895 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627380724 382620970 /nfs/dbraw/zinc/62/09/70/382620970.db2.gz XAFHXKNXBLSYQT-KBPBESRZSA-N 1 3 320.437 -0.012 20 0 DBADHO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000627425414 382625263 /nfs/dbraw/zinc/62/52/63/382625263.db2.gz PAAMWQGSKFMWRP-CRWXNKLISA-N 1 3 308.426 -0.014 20 0 DBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000631918656 382654241 /nfs/dbraw/zinc/65/42/41/382654241.db2.gz IVPSAOOOMIXFIK-ZDUSSCGKSA-N 1 3 316.471 -0.011 20 0 DBADHO CN(C1CC[NH2+]CC1)S(=O)(=O)NC[C@@H]1CCCN(C)C1 ZINC000631918798 382654308 /nfs/dbraw/zinc/65/43/08/382654308.db2.gz MJJINWKEHRZYCP-LBPRGKRZSA-N 1 3 304.460 -0.154 20 0 DBADHO CN(C(=O)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1CNC1 ZINC000633002808 382679881 /nfs/dbraw/zinc/67/98/81/382679881.db2.gz LVUGSLPMTZXGNP-UHFFFAOYSA-N 1 3 320.397 -0.482 20 0 DBADHO O=C(C(=O)N1CCC[C@H](N2CCCC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000633082276 382681224 /nfs/dbraw/zinc/68/12/24/382681224.db2.gz PKJCSQKUWPEGRB-IHRRRGAJSA-N 1 3 306.410 -0.354 20 0 DBADHO O=C(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H](N2CCCC2)C1 ZINC000633084627 382681368 /nfs/dbraw/zinc/68/13/68/382681368.db2.gz NYIOOSQENZOWQO-MJBXVCDLSA-N 1 3 306.410 -0.354 20 0 DBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000633086623 382681388 /nfs/dbraw/zinc/68/13/88/382681388.db2.gz YDGSTLMIABWDHN-STQMWFEESA-N 1 3 308.426 -0.108 20 0 DBADHO O=C(C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)N1CC[C@@H](N2CCCCC2)C1 ZINC000633089307 382681780 /nfs/dbraw/zinc/68/17/80/382681780.db2.gz KXMKBHLJCFYMGR-MJBXVCDLSA-N 1 3 306.410 -0.354 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000633102964 382682999 /nfs/dbraw/zinc/68/29/99/382682999.db2.gz JIWZKMLOQGTFFY-HZSPNIEDSA-N 1 3 308.426 -0.110 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC000634251945 382693639 /nfs/dbraw/zinc/69/36/39/382693639.db2.gz UEWFETCZSPCFIV-BYNSBNAKSA-N 1 3 320.437 -0.014 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC000634251945 382693640 /nfs/dbraw/zinc/69/36/40/382693640.db2.gz UEWFETCZSPCFIV-BYNSBNAKSA-N 1 3 320.437 -0.014 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnnn1 ZINC000337592631 285277624 /nfs/dbraw/zinc/27/76/24/285277624.db2.gz YJVPSYMCULEWQM-ZDUSSCGKSA-N 1 3 309.418 -0.452 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)Cn1cnnn1 ZINC000337592631 285277626 /nfs/dbraw/zinc/27/76/26/285277626.db2.gz YJVPSYMCULEWQM-ZDUSSCGKSA-N 1 3 309.418 -0.452 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)C[C@H](C[NH3+])OC)CC1 ZINC000447445247 285320192 /nfs/dbraw/zinc/32/01/92/285320192.db2.gz AADWHNDDLDSYBB-ZIAGYGMSSA-N 1 3 300.447 -0.260 20 0 DBADHO CN(C)CCNC(=O)c1ccc(CNC(=O)COCC[NH3+])cc1 ZINC000646433015 391904726 /nfs/dbraw/zinc/90/47/26/391904726.db2.gz CFPPAJKRDHPKTN-UHFFFAOYSA-N 1 3 322.409 -0.431 20 0 DBADHO COc1ccccc1[C@H](N)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000646603061 391917750 /nfs/dbraw/zinc/91/77/50/391917750.db2.gz HHMFQDUQGDAUFU-CHWSQXEVSA-N 1 3 320.393 -0.321 20 0 DBADHO O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCN1C1CCOCC1 ZINC000646630647 391920716 /nfs/dbraw/zinc/92/07/16/391920716.db2.gz FPQQNLBEDBURMX-HNNXBMFYSA-N 1 3 310.442 -0.349 20 0 DBADHO CCN(CCO)CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000185434187 391950317 /nfs/dbraw/zinc/95/03/17/391950317.db2.gz MHZFLGDPMYNTGR-UHFFFAOYSA-N 1 3 312.418 -0.120 20 0 DBADHO CC[C@H](C(=O)N[C@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000649472642 392077751 /nfs/dbraw/zinc/07/77/51/392077751.db2.gz CLOKNOAQKJSQSI-YNEHKIRRSA-N 1 3 316.446 -0.740 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@@H](CC)[NH+](C)C)N(C)C ZINC000649472642 392077756 /nfs/dbraw/zinc/07/77/56/392077756.db2.gz CLOKNOAQKJSQSI-YNEHKIRRSA-N 1 3 316.446 -0.740 20 0 DBADHO CC(C)C[C@H](CN)NC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1 ZINC000649266979 392024762 /nfs/dbraw/zinc/02/47/62/392024762.db2.gz HNEZGYCIPYIKJP-LLVKDONJSA-N 1 3 305.444 -0.357 20 0 DBADHO CN(CCC[NH3+])CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000649410171 392064457 /nfs/dbraw/zinc/06/44/57/392064457.db2.gz WOBCZRZOJHWSOE-UHFFFAOYSA-N 1 3 306.414 -0.204 20 0 DBADHO CN(CCN1CC[NH2+]CC1)CC(=O)NC1CCN(C2CC2)CC1 ZINC000649409616 392065115 /nfs/dbraw/zinc/06/51/15/392065115.db2.gz DOONKMFXTBSNIT-UHFFFAOYSA-N 1 3 323.485 -0.434 20 0 DBADHO O=C([C@H]1CNCCC1(F)F)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000648136347 392359379 /nfs/dbraw/zinc/35/93/79/392359379.db2.gz ZXDHKFLLDMSIIH-VXGBXAGGSA-N 1 3 302.369 -0.263 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000370764072 392363098 /nfs/dbraw/zinc/36/30/98/392363098.db2.gz VARVPDMTXVOYPE-OAHLLOKOSA-N 1 3 312.389 -0.545 20 0 DBADHO O=C(CNC(=O)[C@H]1CCC[NH2+]1)NCc1ccc2c(c1)CNC2 ZINC000646990841 392396790 /nfs/dbraw/zinc/39/67/90/392396790.db2.gz CZTCQMATDRYPSQ-CQSZACIVSA-N 1 3 302.378 -0.226 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000556721059 392424244 /nfs/dbraw/zinc/42/42/44/392424244.db2.gz ZOLWLMOVNLMWJK-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000556721059 392424249 /nfs/dbraw/zinc/42/42/49/392424249.db2.gz ZOLWLMOVNLMWJK-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC000363419885 392447117 /nfs/dbraw/zinc/44/71/17/392447117.db2.gz YFFHIXZOYLHXSE-AWEZNQCLSA-N 1 3 310.442 -0.049 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H]1C[C@@H]([NH3+])C1 ZINC000647272280 392533766 /nfs/dbraw/zinc/53/37/66/392533766.db2.gz IAOKXGRVOQIHEF-TXEJJXNPSA-N 1 3 315.443 -0.170 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419898271 392479266 /nfs/dbraw/zinc/47/92/66/392479266.db2.gz PHRCLNYPMXZGST-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO C[NH2+]CCN(C)C(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000423372585 392647927 /nfs/dbraw/zinc/64/79/27/392647927.db2.gz RDUNSKFTPWCGQC-UHFFFAOYSA-N 1 3 310.398 -0.152 20 0 DBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000647597738 392652704 /nfs/dbraw/zinc/65/27/04/392652704.db2.gz KRUSWUGFFXDFMP-CHWSQXEVSA-N 1 3 319.409 -0.028 20 0 DBADHO COc1ccccc1[C@@H](N)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000647634072 392658506 /nfs/dbraw/zinc/65/85/06/392658506.db2.gz MXMHDDSBZKTHLT-WFASDCNBSA-N 1 3 322.409 -0.089 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000580182216 392660423 /nfs/dbraw/zinc/66/04/23/392660423.db2.gz WULIMXXLQPPJAU-MELADBBJSA-N 1 3 308.426 -0.536 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000647728192 392827432 /nfs/dbraw/zinc/82/74/32/392827432.db2.gz HUPKVBATUFWKQS-QWRGUYRKSA-N 1 3 318.368 -0.455 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CNCCC2(F)F)C1 ZINC000647728191 392827504 /nfs/dbraw/zinc/82/75/04/392827504.db2.gz HUPKVBATUFWKQS-MNOVXSKESA-N 1 3 318.368 -0.455 20 0 DBADHO O=C(CNC1CC1)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000571042902 392860096 /nfs/dbraw/zinc/86/00/96/392860096.db2.gz UGVRCENBMZXHJO-OCCSQVGLSA-N 1 3 308.426 -0.155 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339635842 392870331 /nfs/dbraw/zinc/87/03/31/392870331.db2.gz IGWWDPHNCSQRAI-UHFFFAOYSA-N 1 3 314.430 -0.767 20 0 DBADHO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCCN(C)C1 ZINC000645263010 392927077 /nfs/dbraw/zinc/92/70/77/392927077.db2.gz QRNMLIQZYKIDRR-STQMWFEESA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@H]1CCN(C2CC2)C1 ZINC000645263854 392930423 /nfs/dbraw/zinc/93/04/23/392930423.db2.gz WRZVIWOKPXKNCP-STQMWFEESA-N 1 3 323.441 -0.016 20 0 DBADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000417274764 393026586 /nfs/dbraw/zinc/02/65/86/393026586.db2.gz ASNBIEPNTBHXRT-CHWSQXEVSA-N 1 3 311.430 -0.423 20 0 DBADHO CC[C@H]([NH3+])CNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417426545 393043930 /nfs/dbraw/zinc/04/39/30/393043930.db2.gz HAQJYPWTMQMNTA-QWHCGFSZSA-N 1 3 313.446 -0.034 20 0 DBADHO C[NH2+]CCCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417418875 393044330 /nfs/dbraw/zinc/04/43/30/393044330.db2.gz BZWSFHJCXLGOHG-CYBMUJFWSA-N 1 3 313.446 -0.162 20 0 DBADHO CC[NH2+]CCNC(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000417429641 393045432 /nfs/dbraw/zinc/04/54/32/393045432.db2.gz NMUZTUISOYTWAB-CYBMUJFWSA-N 1 3 313.446 -0.162 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000417566799 393061091 /nfs/dbraw/zinc/06/10/91/393061091.db2.gz NCZFJNPZNYWGHE-KGLIPLIRSA-N 1 3 313.446 -0.700 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC000343618155 393075386 /nfs/dbraw/zinc/07/53/86/393075386.db2.gz HSQCKPWTMFFRIW-YOEHRIQHSA-N 1 3 322.453 -0.001 20 0 DBADHO CCN1CCN(C[C@H](C)CNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348992132 393184362 /nfs/dbraw/zinc/18/43/62/393184362.db2.gz HPWLNBUJJYPMJX-CQSZACIVSA-N 1 3 312.458 -0.245 20 0 DBADHO CCN1CCN(CCCCNC(=O)CCOC2C[NH2+]C2)CC1 ZINC000348989135 393182514 /nfs/dbraw/zinc/18/25/14/393182514.db2.gz CCCUQSSWWZUNDK-UHFFFAOYSA-N 1 3 312.458 -0.101 20 0 DBADHO COCC[NH2+]CCNC(=O)NC[C@]1(N(C)C)CCSC1 ZINC000417826587 393193953 /nfs/dbraw/zinc/19/39/53/393193953.db2.gz NDVRZXGWBGYZLK-CYBMUJFWSA-N 1 3 304.460 -0.041 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NCCOCC[NH+](C)C)CC1=O ZINC000349723117 393213131 /nfs/dbraw/zinc/21/31/31/393213131.db2.gz NMOXHUWKCJLOSV-CYBMUJFWSA-N 1 3 314.430 -0.909 20 0 DBADHO C[N@H+](C[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000351493295 393277103 /nfs/dbraw/zinc/27/71/03/393277103.db2.gz VGQXLTCEDFDNKC-INIZCTEOSA-N 1 3 324.469 -0.319 20 0 DBADHO C[N@@H+](C[C@H](O)CN1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000351493295 393277108 /nfs/dbraw/zinc/27/71/08/393277108.db2.gz VGQXLTCEDFDNKC-INIZCTEOSA-N 1 3 324.469 -0.319 20 0 DBADHO CC[NH+](CC)CCOCCNC(=O)NC[C@H]1CNCCO1 ZINC000418019363 393423945 /nfs/dbraw/zinc/42/39/45/393423945.db2.gz KXBYTWLNGVRAOB-CYBMUJFWSA-N 1 3 302.419 -0.368 20 0 DBADHO NC1(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)Cc2ccccc2C1 ZINC000367654226 393451929 /nfs/dbraw/zinc/45/19/29/393451929.db2.gz UHSHEOWDUONECT-INIZCTEOSA-N 1 3 314.433 -0.011 20 0 DBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000419095035 393542437 /nfs/dbraw/zinc/54/24/37/393542437.db2.gz CASKXVAKKYOBQI-ZYHUDNBSSA-N 1 3 312.414 -0.574 20 0 DBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000419095035 393542441 /nfs/dbraw/zinc/54/24/41/393542441.db2.gz CASKXVAKKYOBQI-ZYHUDNBSSA-N 1 3 312.414 -0.574 20 0 DBADHO CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H]1CCCCN1CCO ZINC000418770774 393503591 /nfs/dbraw/zinc/50/35/91/393503591.db2.gz VAHZWNMXHKXUET-ZIAGYGMSSA-N 1 3 313.446 -0.964 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000419282757 393567521 /nfs/dbraw/zinc/56/75/21/393567521.db2.gz ISQBQKJBNVPUMU-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000419404392 393573178 /nfs/dbraw/zinc/57/31/78/393573178.db2.gz GFHXVNAWIBCGQS-CYBMUJFWSA-N 1 3 308.426 -0.130 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000419416604 393575449 /nfs/dbraw/zinc/57/54/49/393575449.db2.gz WMFUTXMTOYFYKP-KBPBESRZSA-N 1 3 310.442 -0.050 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000419443622 393578900 /nfs/dbraw/zinc/57/89/00/393578900.db2.gz BMYWPPQHXCBEMB-OLZOCXBDSA-N 1 3 314.430 -0.815 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NCC2([NH3+])CCC2)CCSC1 ZINC000419579590 393589710 /nfs/dbraw/zinc/58/97/10/393589710.db2.gz HNLXVLXOFMXFHI-AWEZNQCLSA-N 1 3 314.455 -0.463 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)NCC[NH2+]CCOC ZINC000419593034 393590781 /nfs/dbraw/zinc/59/07/81/393590781.db2.gz SLHHXVLFMMEPMC-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CN(C)[C@]1(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CCSC1 ZINC000419583475 393590883 /nfs/dbraw/zinc/59/08/83/393590883.db2.gz LEYBEBLKBNWEER-FZMZJTMJSA-N 1 3 314.455 -0.592 20 0 DBADHO C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000423740552 393618954 /nfs/dbraw/zinc/61/89/54/393618954.db2.gz IXZMKTKOIIMKTP-HNNXBMFYSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCCC[C@H]1CN1CCN(C(=O)CCOC2CNC2)CC1 ZINC000423740552 393618958 /nfs/dbraw/zinc/61/89/58/393618958.db2.gz IXZMKTKOIIMKTP-HNNXBMFYSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000423766229 393619910 /nfs/dbraw/zinc/61/99/10/393619910.db2.gz XZVLBVSBVJVVJE-CVEARBPZSA-N 1 3 324.469 -0.007 20 0 DBADHO C[N@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H]2CNCCO2)CC1 ZINC000423766229 393619915 /nfs/dbraw/zinc/61/99/15/393619915.db2.gz XZVLBVSBVJVVJE-CVEARBPZSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C[C@@H]1C[NH3+] ZINC000424022118 393625490 /nfs/dbraw/zinc/62/54/90/393625490.db2.gz UPTLTSXZFVGOBR-RDBSUJKOSA-N 1 3 310.442 -0.160 20 0 DBADHO N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2cnccn2)CC1 ZINC000424285541 393636763 /nfs/dbraw/zinc/63/67/63/393636763.db2.gz FSLUXXHIOQBEPP-ZIAGYGMSSA-N 1 3 318.425 -0.015 20 0 DBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]3COCCN3)C2)CC1 ZINC000645978141 393737950 /nfs/dbraw/zinc/73/79/50/393737950.db2.gz UEALQRNNRLPEIL-UONOGXRCSA-N 1 3 310.442 -0.350 20 0 DBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)C[C@@H]3COCCN3)C2)CC1 ZINC000645978141 393737951 /nfs/dbraw/zinc/73/79/51/393737951.db2.gz UEALQRNNRLPEIL-UONOGXRCSA-N 1 3 310.442 -0.350 20 0 DBADHO C[NH+]1CCC(N2CC[C@H](NC(=O)C[C@@H]3COCCN3)C2)CC1 ZINC000645978141 393737952 /nfs/dbraw/zinc/73/79/52/393737952.db2.gz UEALQRNNRLPEIL-UONOGXRCSA-N 1 3 310.442 -0.350 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC2([NH3+])CCC2)cn1 ZINC000646075331 393748338 /nfs/dbraw/zinc/74/83/38/393748338.db2.gz CBWXZKMGJNLEFT-UHFFFAOYSA-N 1 3 322.413 -0.229 20 0 DBADHO COCC1(CNC(=O)c2[nH]nc3c2CNCC3)CC[NH2+]CC1 ZINC000367368135 292245249 /nfs/dbraw/zinc/24/52/49/292245249.db2.gz QNMICDRYZATOJY-UHFFFAOYSA-N 1 3 307.398 -0.199 20 0 DBADHO O=C(N1CCN(c2ccncc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653124210 411647160 /nfs/dbraw/zinc/64/71/60/411647160.db2.gz UPTYBZMYSYHJKZ-BBRMVZONSA-N 1 3 302.378 -0.034 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000662660723 411644850 /nfs/dbraw/zinc/64/48/50/411644850.db2.gz YRMILZMVXHNZPQ-CYBMUJFWSA-N 1 3 310.442 -0.146 20 0 DBADHO C[NH+](C)CC[C@@H](N)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000653120638 411645876 /nfs/dbraw/zinc/64/58/76/411645876.db2.gz VYPDOLHNEOXDKA-OAHLLOKOSA-N 1 3 312.458 -0.164 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662963987 411658949 /nfs/dbraw/zinc/65/89/49/411658949.db2.gz VJGRDYJYBSQUIY-UHFFFAOYSA-N 1 3 308.426 -0.120 20 0 DBADHO CN1CCC[C@H](NC(=O)N2CCN(CC[NH+](C)C)C(=O)C2)C1 ZINC000650724852 411686306 /nfs/dbraw/zinc/68/63/06/411686306.db2.gz NIAUSOMIAWYYDU-ZDUSSCGKSA-N 1 3 311.430 -0.504 20 0 DBADHO C[NH+](C)CCN1CCN(C(=O)N[C@H]2CCN(C3CC3)C2)CC1=O ZINC000650877336 411696164 /nfs/dbraw/zinc/69/61/64/411696164.db2.gz SJTWBNFWHPSHEE-ZDUSSCGKSA-N 1 3 323.441 -0.362 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cn1 ZINC000659097817 411700354 /nfs/dbraw/zinc/70/03/54/411700354.db2.gz MLXFHQJMMHAOFP-UHFFFAOYSA-N 1 3 322.413 -0.229 20 0 DBADHO CN(C)C1(CNC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000651853777 411780185 /nfs/dbraw/zinc/78/01/85/411780185.db2.gz DUQJNEPYDCWDPV-UHFFFAOYSA-N 1 3 322.413 -0.406 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659697417 411864275 /nfs/dbraw/zinc/86/42/75/411864275.db2.gz GOHTZUPOHOAPRI-VEAWUBTESA-N 1 3 308.426 -0.297 20 0 DBADHO CS(=O)(=O)NCCN1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348901 411796665 /nfs/dbraw/zinc/79/66/65/411796665.db2.gz VLXFROKRRHIZDL-AVGNSLFASA-N 1 3 305.444 -0.246 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)NCCC[NH2+]C2CC2)cn1 ZINC000652625196 411807280 /nfs/dbraw/zinc/80/72/80/411807280.db2.gz ZFMUQWNHYVGEQP-UHFFFAOYSA-N 1 3 322.413 -0.359 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@H](C[NH3+])C2CCCC2)n1 ZINC000659539195 411833962 /nfs/dbraw/zinc/83/39/62/411833962.db2.gz BXVPQAZLKRLQMK-LLVKDONJSA-N 1 3 308.386 -0.042 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659537069 411834176 /nfs/dbraw/zinc/83/41/76/411834176.db2.gz KGWVDZZYCZEDSD-OLZOCXBDSA-N 1 3 313.446 -0.354 20 0 DBADHO C[C@H](CCC[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659553851 411835518 /nfs/dbraw/zinc/83/55/18/411835518.db2.gz PCNCYOYXGXGANB-GFCCVEGCSA-N 1 3 301.435 -0.225 20 0 DBADHO COCCN1CCN(C[C@H](O)C[N@H+](C)CCOC)C(C)(C)C1 ZINC000653778865 411905755 /nfs/dbraw/zinc/90/57/55/411905755.db2.gz HBKNPDCBZLWZAM-OAHLLOKOSA-N 1 3 317.474 -0.032 20 0 DBADHO COCCN1CCN(C[C@H](O)C[N@@H+](C)CCOC)C(C)(C)C1 ZINC000653778865 411905760 /nfs/dbraw/zinc/90/57/60/411905760.db2.gz HBKNPDCBZLWZAM-OAHLLOKOSA-N 1 3 317.474 -0.032 20 0 DBADHO CNc1nc(C)cc(C(=O)N(CCN(C)C)CC[NH+](C)C)n1 ZINC000580792704 411936230 /nfs/dbraw/zinc/93/62/30/411936230.db2.gz HEMNUFIJEZPGPA-UHFFFAOYSA-N 1 3 308.430 0.392 20 0 DBADHO CC[N@H+](C)C[C@@H](O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000653588497 411881306 /nfs/dbraw/zinc/88/13/06/411881306.db2.gz YUHBMIMQIFHKKE-CABCVRRESA-N 1 3 312.458 -0.287 20 0 DBADHO CC[N@@H+](C)C[C@@H](O)CN1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000653588497 411881310 /nfs/dbraw/zinc/88/13/10/411881310.db2.gz YUHBMIMQIFHKKE-CABCVRRESA-N 1 3 312.458 -0.287 20 0 DBADHO [NH3+]CC[C@H](NC(=O)N1CCN2C[C@H](O)C[C@H]2C1)C(F)(F)F ZINC000655909947 411978075 /nfs/dbraw/zinc/97/80/75/411978075.db2.gz REWIPYJBCLJJNU-AEJSXWLSSA-N 1 3 310.320 -0.274 20 0 DBADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCN2C[C@H](O)C[C@H]2C1 ZINC000655945916 411979634 /nfs/dbraw/zinc/97/96/34/411979634.db2.gz GQJZKUQWLJGRGC-YVSFHVDLSA-N 1 3 305.422 -0.332 20 0 DBADHO O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000655968982 411982275 /nfs/dbraw/zinc/98/22/75/411982275.db2.gz CWXRMDQQTZPWJP-VYDRJRHOSA-N 1 3 308.426 -0.165 20 0 DBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656022327 411987895 /nfs/dbraw/zinc/98/78/95/411987895.db2.gz GJTCRZPGCUMNCY-IHRRRGAJSA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656023967 411989356 /nfs/dbraw/zinc/98/93/56/411989356.db2.gz JSIGEEUOWBZATF-IHRRRGAJSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)C(=O)N[C@H]1CCCN2CCCC[C@@H]12 ZINC000656023967 411989359 /nfs/dbraw/zinc/98/93/59/411989359.db2.gz JSIGEEUOWBZATF-IHRRRGAJSA-N 1 3 324.425 -0.776 20 0 DBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000656787748 412012474 /nfs/dbraw/zinc/01/24/74/412012474.db2.gz UCMJQXWINKQJEN-KGLIPLIRSA-N 1 3 306.414 -0.203 20 0 DBADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](Cn3ccnn3)C2)C1 ZINC000656787748 412012476 /nfs/dbraw/zinc/01/24/76/412012476.db2.gz UCMJQXWINKQJEN-KGLIPLIRSA-N 1 3 306.414 -0.203 20 0 DBADHO C[NH2+]C[C@H](C)NS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000658409469 412052954 /nfs/dbraw/zinc/05/29/54/412052954.db2.gz GWULIAMGFPGTCD-JTQLQIEISA-N 1 3 317.459 -0.052 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCc1ccoc1 ZINC000658537393 412057953 /nfs/dbraw/zinc/05/79/53/412057953.db2.gz VBDDBPVZOPHSSS-UHFFFAOYSA-N 1 3 324.425 -0.110 20 0 DBADHO CCN(C(=O)C(=O)N(C)CC1CN(C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000658821146 412070788 /nfs/dbraw/zinc/07/07/88/412070788.db2.gz JPSZQKNVUKCCPH-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(C(=O)C(=O)N(C)CC1CN(C)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000658821146 412070791 /nfs/dbraw/zinc/07/07/91/412070791.db2.gz JPSZQKNVUKCCPH-AWEZNQCLSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cn1 ZINC000659100151 412079229 /nfs/dbraw/zinc/07/92/29/412079229.db2.gz OMZRRPKQQFIDAB-UHFFFAOYSA-N 1 3 320.397 -0.667 20 0 DBADHO CN(C)CCn1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)n1 ZINC000659100644 412080498 /nfs/dbraw/zinc/08/04/98/412080498.db2.gz YMUDQRDZFFKJPU-UHFFFAOYSA-N 1 3 320.397 -0.667 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)NC1CCN(CCC(=O)N(C)C)CC1 ZINC000659451452 412088977 /nfs/dbraw/zinc/08/89/77/412088977.db2.gz HMVHGLQTSUKZCQ-GFCCVEGCSA-N 1 3 313.446 -0.164 20 0 DBADHO C[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)CN1CCN(C)CC1 ZINC000659459000 412089159 /nfs/dbraw/zinc/08/91/59/412089159.db2.gz BTIYHTTYIUJMNO-VQCLRJIVSA-N 1 3 309.458 -0.079 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000659556446 412094268 /nfs/dbraw/zinc/09/42/68/412094268.db2.gz XPPOXCFKHPRFIS-STQMWFEESA-N 1 3 313.446 -0.225 20 0 DBADHO NCc1cn([C@H]2CCCN(C(=O)NCC34CC(C3)C[NH2+]4)C2)nn1 ZINC000659612545 412095585 /nfs/dbraw/zinc/09/55/85/412095585.db2.gz WUNDCZOBRAYBIW-QRJNDHJOSA-N 1 3 319.413 -0.165 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000659628858 412096807 /nfs/dbraw/zinc/09/68/07/412096807.db2.gz KDIOBCLLPFCRLV-HNNXBMFYSA-N 1 3 320.397 -0.074 20 0 DBADHO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659681394 412102979 /nfs/dbraw/zinc/10/29/79/412102979.db2.gz HKGMZEOIMORPIC-VEAWUBTESA-N 1 3 308.426 -0.216 20 0 DBADHO C[N@H+]1CCC[C@H](CCNC(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000659681394 412102984 /nfs/dbraw/zinc/10/29/84/412102984.db2.gz HKGMZEOIMORPIC-VEAWUBTESA-N 1 3 308.426 -0.216 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659685743 412103626 /nfs/dbraw/zinc/10/36/26/412103626.db2.gz OFLBAAGBKSDBEL-UYJPIKCFSA-N 1 3 308.426 -0.155 20 0 DBADHO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659694719 412105944 /nfs/dbraw/zinc/10/59/44/412105944.db2.gz NFJLJXZBRGWZRV-JHEVNIALSA-N 1 3 312.389 -0.517 20 0 DBADHO C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659694719 412105949 /nfs/dbraw/zinc/10/59/49/412105949.db2.gz NFJLJXZBRGWZRV-JHEVNIALSA-N 1 3 312.389 -0.517 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000659696917 412107308 /nfs/dbraw/zinc/10/73/08/412107308.db2.gz DEKSRJVVECGNMV-VEAWUBTESA-N 1 3 308.426 -0.073 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659698778 412107524 /nfs/dbraw/zinc/10/75/24/412107524.db2.gz LPRSUSBZQFLAND-UHFFFAOYSA-N 1 3 302.419 -0.733 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659703824 412108805 /nfs/dbraw/zinc/10/88/05/412108805.db2.gz HKHGVPSWIOVJRE-UHFFFAOYSA-N 1 3 302.419 -0.733 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000659738676 412117180 /nfs/dbraw/zinc/11/71/80/412117180.db2.gz IICQDQIVGPYSPT-QWHCGFSZSA-N 1 3 312.414 -0.837 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000659738139 412117637 /nfs/dbraw/zinc/11/76/37/412117637.db2.gz AJUYEHXMCKSDBU-CJNGLKHVSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@@H]1CN(C)CC[C@@H]1N(C)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659739628 412119214 /nfs/dbraw/zinc/11/92/14/412119214.db2.gz BDRYEYNYFOWEAD-ZMDMRTEPSA-N 1 3 308.426 -0.347 20 0 DBADHO [NH3+]CCn1cc(C(=O)N2CCN(c3ccncc3)CC2)nn1 ZINC000662357310 412179783 /nfs/dbraw/zinc/17/97/83/412179783.db2.gz WRCSIDSUQWUADX-UHFFFAOYSA-N 1 3 301.354 -0.406 20 0 DBADHO [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000662407678 412181970 /nfs/dbraw/zinc/18/19/70/412181970.db2.gz HQLWJDFVQFMURR-CHWSQXEVSA-N 1 3 305.382 -0.207 20 0 DBADHO [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1ccc(N2CCNCC2)cn1 ZINC000662407679 412182136 /nfs/dbraw/zinc/18/21/36/412182136.db2.gz HQLWJDFVQFMURR-OLZOCXBDSA-N 1 3 305.382 -0.207 20 0 DBADHO COCCCN(C)CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662477325 412185585 /nfs/dbraw/zinc/18/55/85/412185585.db2.gz YHPNZDQVWBQAIM-UHFFFAOYSA-N 1 3 324.429 -0.099 20 0 DBADHO COCCN(C)CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662704290 412196433 /nfs/dbraw/zinc/19/64/33/412196433.db2.gz YRSCXSKDITZBPH-CYBMUJFWSA-N 1 3 324.429 -0.099 20 0 DBADHO COC[C@@]1(C(=O)NC2CCN([C@@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000662709853 412196718 /nfs/dbraw/zinc/19/67/18/412196718.db2.gz TVQAFCWMCLEJND-GDBMZVCRSA-N 1 3 311.426 -0.018 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000662707898 412196767 /nfs/dbraw/zinc/19/67/67/412196767.db2.gz IFTZGTZCYFSQLG-BJJXKVORSA-N 1 3 309.410 -0.408 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)CC2([NH3+])CC2)cn1 ZINC000662745402 412198415 /nfs/dbraw/zinc/19/84/15/412198415.db2.gz MHPNDIIJAYUNSI-UHFFFAOYSA-N 1 3 308.386 -0.619 20 0 DBADHO [NH3+]CCOCC(=O)NCc1ccc(CN2CC[C@H](O)C2)cc1 ZINC000662858860 412206377 /nfs/dbraw/zinc/20/63/77/412206377.db2.gz IZCJHZGJRMDRKR-HNNXBMFYSA-N 1 3 307.394 -0.155 20 0 DBADHO CNC(=O)[C@@H]1CCN(C/C=C/C[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000660833200 412148995 /nfs/dbraw/zinc/14/89/95/412148995.db2.gz QGKCSSWXPZGASL-LSMGEYOZSA-N 1 3 308.426 -0.322 20 0 DBADHO CNC(=O)[C@@H]1CCN(C/C=C/C[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000660833200 412148999 /nfs/dbraw/zinc/14/89/99/412148999.db2.gz QGKCSSWXPZGASL-LSMGEYOZSA-N 1 3 308.426 -0.322 20 0 DBADHO O=C(NC[C@@H]1CCCN(C[C@H]2CNCCO2)C1)[C@@H]1CCC[NH2+]1 ZINC000662264259 412173521 /nfs/dbraw/zinc/17/35/21/412173521.db2.gz HDKYOWUMEPJTLR-ZNMIVQPWSA-N 1 3 310.442 -0.445 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662262239 412173891 /nfs/dbraw/zinc/17/38/91/412173891.db2.gz UNIZSQIZYIDNLH-HNNXBMFYSA-N 1 3 324.469 -0.007 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCc1ncn(C)n1 ZINC000664560983 412257378 /nfs/dbraw/zinc/25/73/78/412257378.db2.gz GKGZLGAYMMRNQA-LBPRGKRZSA-N 1 3 311.434 -0.114 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCc1ncn(C)n1 ZINC000664560983 412257386 /nfs/dbraw/zinc/25/73/86/412257386.db2.gz GKGZLGAYMMRNQA-LBPRGKRZSA-N 1 3 311.434 -0.114 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC(C)C[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664782974 412261196 /nfs/dbraw/zinc/26/11/96/412261196.db2.gz DJASKDWQQBXFLQ-ZIAGYGMSSA-N 1 3 310.442 -0.242 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC(C)C[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664782974 412261200 /nfs/dbraw/zinc/26/12/00/412261200.db2.gz DJASKDWQQBXFLQ-ZIAGYGMSSA-N 1 3 310.442 -0.242 20 0 DBADHO CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N2CC3CC2(CN)C3)C1 ZINC000662945828 412218221 /nfs/dbraw/zinc/21/82/21/412218221.db2.gz JGMGKFIYUKWGIF-UYJPIKCFSA-N 1 3 308.426 -0.075 20 0 DBADHO CO[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)[C@H]1CCOC1 ZINC000668302385 544424682 /nfs/dbraw/zinc/42/46/82/544424682.db2.gz GBZQXTHJQJWLLL-UONOGXRCSA-N 1 3 301.431 -0.010 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)c1cnc2n1CCOC2 ZINC000668302842 544424909 /nfs/dbraw/zinc/42/49/09/544424909.db2.gz RPRUSVFBJQMFRW-UHFFFAOYSA-N 1 3 309.414 -0.021 20 0 DBADHO C[C@H](NC(=O)C(=O)N1CC[C@@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672013522 544761792 /nfs/dbraw/zinc/76/17/92/544761792.db2.gz LMPOXRPDIZHRBT-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000672307668 544769962 /nfs/dbraw/zinc/76/99/62/544769962.db2.gz IUUWKEFOHDOKRK-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO O[C@@H]1C[C@H](O)CN(CCCCC[N@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674498821 544830879 /nfs/dbraw/zinc/83/08/79/544830879.db2.gz VYOXQYMCDXEJAM-NMWPEEMBSA-N 1 3 302.415 -0.988 20 0 DBADHO O[C@@H]1C[C@H](O)CN(CCCCC[N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000674498821 544830884 /nfs/dbraw/zinc/83/08/84/544830884.db2.gz VYOXQYMCDXEJAM-NMWPEEMBSA-N 1 3 302.415 -0.988 20 0 DBADHO COC1CCN(CCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000677907478 544902103 /nfs/dbraw/zinc/90/21/03/544902103.db2.gz QFQVDTCKIPFRCY-OAHLLOKOSA-N 1 3 310.442 -0.397 20 0 DBADHO COC1CCN(CCNC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000677907478 544902106 /nfs/dbraw/zinc/90/21/06/544902106.db2.gz QFQVDTCKIPFRCY-OAHLLOKOSA-N 1 3 310.442 -0.397 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000685303237 545029050 /nfs/dbraw/zinc/02/90/50/545029050.db2.gz NWJRZSWCNYOINR-PAPYEOQZSA-N 1 3 322.453 -0.006 20 0 DBADHO CN(C)[C@@H](CNC(=O)C(=O)N(C)CC[NH3+])Cc1ccccc1 ZINC000418827591 265751904 /nfs/dbraw/zinc/75/19/04/265751904.db2.gz CIJNSXCZRAYNRB-CQSZACIVSA-N 1 3 306.410 -0.307 20 0 DBADHO COCCN(C)CCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000419673391 265805181 /nfs/dbraw/zinc/80/51/81/265805181.db2.gz HFXQRHOCGZRCBJ-STQMWFEESA-N 1 3 314.430 -0.815 20 0 DBADHO C[NH2+]CCCNC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000419839092 265817689 /nfs/dbraw/zinc/81/76/89/265817689.db2.gz AOZJPJLGPDNGPJ-UHFFFAOYSA-N 1 3 310.398 -0.105 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)C1CC1 ZINC000419860873 265820721 /nfs/dbraw/zinc/82/07/21/265820721.db2.gz LFUXUBAWPUMZEF-KBPBESRZSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCN(C)[C@@H]3C2)[C@H]1C[NH3+] ZINC000423724368 265912209 /nfs/dbraw/zinc/91/22/09/265912209.db2.gz HBHFUOYWVOQIKO-XDQVBPFNSA-N 1 3 308.426 -0.265 20 0 DBADHO CC(C)[C@H](C[NH3+])C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000433159766 266038083 /nfs/dbraw/zinc/03/80/83/266038083.db2.gz FMNIDIVGNLNGQL-ZDUSSCGKSA-N 1 3 324.429 -0.270 20 0 DBADHO COCCN(C)CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433384575 266041782 /nfs/dbraw/zinc/04/17/82/266041782.db2.gz KVBGOBITFAEFQD-LBPRGKRZSA-N 1 3 310.402 -0.489 20 0 DBADHO COC[C@H](C)NC(=O)NC(=O)CN1CCC[C@@H](CC[NH3+])C1 ZINC000443077151 266136889 /nfs/dbraw/zinc/13/68/89/266136889.db2.gz UFAGRIDQITWGSF-RYUDHWBXSA-N 1 3 300.403 -0.092 20 0 DBADHO C[C@@H]1CN(CCCNC(=O)C(=O)N(C)CCC[NH3+])CCCO1 ZINC000515869432 266276756 /nfs/dbraw/zinc/27/67/56/266276756.db2.gz ATTOIPNTWMRQCZ-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CCN2C1=O ZINC000516492517 266281991 /nfs/dbraw/zinc/28/19/91/266281991.db2.gz MJOYBKXIDSODMV-AAVRWANBSA-N 1 3 323.441 -0.295 20 0 DBADHO CC[N@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000516786829 266284979 /nfs/dbraw/zinc/28/49/79/266284979.db2.gz GYPKJJVVQRZSOJ-QWHCGFSZSA-N 1 3 311.430 -0.330 20 0 DBADHO CC[N@@H+](CCNC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)C(C)C ZINC000516786829 266284983 /nfs/dbraw/zinc/28/49/83/266284983.db2.gz GYPKJJVVQRZSOJ-QWHCGFSZSA-N 1 3 311.430 -0.330 20 0 DBADHO C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCNCC3)C2)C1 ZINC000516861481 266285664 /nfs/dbraw/zinc/28/56/64/266285664.db2.gz OJARFVKTUSFAOD-INIZCTEOSA-N 1 3 308.426 -0.247 20 0 DBADHO C[N@H+]1CCC[C@]2(CCN(C(=O)C(=O)N3CCCNCC3)C2)C1 ZINC000516861481 266285668 /nfs/dbraw/zinc/28/56/68/266285668.db2.gz OJARFVKTUSFAOD-INIZCTEOSA-N 1 3 308.426 -0.247 20 0 DBADHO C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000516917303 266286346 /nfs/dbraw/zinc/28/63/46/266286346.db2.gz USNHLNMVOUJIMZ-MELADBBJSA-N 1 3 308.426 -0.345 20 0 DBADHO CC1(CNC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC[NH2+]CC1 ZINC000516981514 266288462 /nfs/dbraw/zinc/28/84/62/266288462.db2.gz JSCQBFUVISOOJH-NWDGAFQWSA-N 1 3 309.414 -0.671 20 0 DBADHO COCCCN(C)CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000520203934 266316826 /nfs/dbraw/zinc/31/68/26/266316826.db2.gz SQCBRAXSWSPSQH-ZDUSSCGKSA-N 1 3 301.435 -0.761 20 0 DBADHO O=C(CN1CCCC1)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000522005107 266331908 /nfs/dbraw/zinc/33/19/08/266331908.db2.gz CYEORPFUKGOMJA-UHFFFAOYSA-N 1 3 309.458 -0.868 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CCN2C1=O ZINC000529349401 266387092 /nfs/dbraw/zinc/38/70/92/266387092.db2.gz KSJLKXAPYUUYOU-IJLUTSLNSA-N 1 3 307.398 -0.776 20 0 DBADHO Cn1ccnc(NC[C@H]2CN(CC3CC[NH2+]CC3)CCO2)c1=O ZINC000261932100 279372070 /nfs/dbraw/zinc/37/20/70/279372070.db2.gz LSAAVINTIPBPSQ-AWEZNQCLSA-N 1 3 321.425 -0.107 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000332085046 288300863 /nfs/dbraw/zinc/30/08/63/288300863.db2.gz FKKNFDDPMSKFKF-SYQHCUMBSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@H]2CCCN2C[C@H]1C ZINC000332570558 288320554 /nfs/dbraw/zinc/32/05/54/288320554.db2.gz CPRIBIACYBRNCN-SYQHCUMBSA-N 1 3 308.426 -0.204 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC2(C[NH+](C)C)CCC2)CC1=O ZINC000343814217 289159015 /nfs/dbraw/zinc/15/90/15/289159015.db2.gz ITRGXYQTFQPCMD-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)[C@@]1(F)CCNC1 ZINC000193706006 295225057 /nfs/dbraw/zinc/22/50/57/295225057.db2.gz ZPXDMUUUVBESIB-SMDDNHRTSA-N 1 3 300.378 -0.466 20 0 DBADHO C[C@@H]1C[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000246276154 297287214 /nfs/dbraw/zinc/28/72/14/297287214.db2.gz BCGPHUODJRSIBJ-PMPSAXMXSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@@H]1C[C@@H](N[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@H+]1C ZINC000246276154 297287216 /nfs/dbraw/zinc/28/72/16/297287216.db2.gz BCGPHUODJRSIBJ-PMPSAXMXSA-N 1 3 324.469 -0.008 20 0 DBADHO CN(C)CCOc1ccc(CNC(=O)C(=O)NC2C[NH2+]C2)cc1 ZINC000569335779 331814789 /nfs/dbraw/zinc/81/47/89/331814789.db2.gz WSNGUCDCTITMPH-UHFFFAOYSA-N 1 3 320.393 -0.669 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)NCC3([NH3+])CCCCC3)CCN2C1=O ZINC000569380543 332069254 /nfs/dbraw/zinc/06/92/54/332069254.db2.gz HABUSFCJHWSYCY-VXGBXAGGSA-N 1 3 309.414 -0.399 20 0 DBADHO C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C[C@@H](O)CN ZINC000569461532 332093432 /nfs/dbraw/zinc/09/34/32/332093432.db2.gz VYMXDFKCTPTIBQ-AWEZNQCLSA-N 1 3 321.425 -0.628 20 0 DBADHO C[N@@H+](CCC(=O)N1CCN(c2ccccn2)CC1)C[C@@H](O)CN ZINC000569461532 332093433 /nfs/dbraw/zinc/09/34/33/332093433.db2.gz VYMXDFKCTPTIBQ-AWEZNQCLSA-N 1 3 321.425 -0.628 20 0 DBADHO CN(CCc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCC[NH3+])C1 ZINC000583392291 332382519 /nfs/dbraw/zinc/38/25/19/332382519.db2.gz BNLXXNAZPPTIII-OAHLLOKOSA-N 1 3 318.421 -0.163 20 0 DBADHO N[C@H](Cc1ccccc1)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000583392211 332382649 /nfs/dbraw/zinc/38/26/49/332382649.db2.gz YSMFXBPEJVJOHW-MJBXVCDLSA-N 1 3 302.378 -0.673 20 0 DBADHO C[C@H]1OC(C)(C)N[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580301680 333080178 /nfs/dbraw/zinc/08/01/78/333080178.db2.gz NXCTXENVKXMOIZ-VXGBXAGGSA-N 1 3 314.430 -0.374 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)COC3C[NH2+]C3)C2)CC1 ZINC000567817624 333348897 /nfs/dbraw/zinc/34/88/97/333348897.db2.gz ARKQWHOESUUXEX-CQSZACIVSA-N 1 3 310.442 -0.398 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C[C@@](C)(O)C[NH2+]C)CC1 ZINC000582365455 336945953 /nfs/dbraw/zinc/94/59/53/336945953.db2.gz VUUJVGRNFGYUDG-HNNXBMFYSA-N 1 3 300.447 -0.557 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000582480688 337096569 /nfs/dbraw/zinc/09/65/69/337096569.db2.gz NWVSXTNQODBUJV-HZSPNIEDSA-N 1 3 308.426 -0.108 20 0 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/nfs/dbraw/zinc/66/38/32/341663832.db2.gz YQIBDCNSXHNKEU-AWEZNQCLSA-N 1 3 304.394 -0.158 20 0 DBADHO O=C(NCc1ccc(C[NH+]2CCCC2)cc1)C(=O)NC1CNC1 ZINC000573942672 341743928 /nfs/dbraw/zinc/74/39/28/341743928.db2.gz GJSULNLSFIPQMD-UHFFFAOYSA-N 1 3 316.405 -0.013 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CCN2C1=O ZINC000574466003 341759500 /nfs/dbraw/zinc/75/95/00/341759500.db2.gz QHOUHEOSCZYCOK-ZSLBOAEBSA-N 1 3 306.410 -0.323 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)CCN2C1=O ZINC000574704938 341766537 /nfs/dbraw/zinc/76/65/37/341766537.db2.gz SPPRJACDQMMVKD-BPLDGKMQSA-N 1 3 314.389 -0.356 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000331778064 519688496 /nfs/dbraw/zinc/68/84/96/519688496.db2.gz HCLWQSPUPGHGPJ-ZNMIVQPWSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[N@@H+](CCO)CCNC(=O)N[C@H]1CCN(CCOC)C1 ZINC000347379935 521105013 /nfs/dbraw/zinc/10/50/13/521105013.db2.gz YNGJITPIEISRMP-ZDUSSCGKSA-N 1 3 302.419 -0.680 20 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HSQCKPWTMFFRIW-PBHICJAKSA-N 1 3 322.453 -0.001 20 0 DBADHO C[NH+](C)CCOC1CCN(C(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000343480718 521790567 /nfs/dbraw/zinc/79/05/67/521790567.db2.gz KDNMKNMDVRIFRL-INIZCTEOSA-N 1 3 324.469 -0.055 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000332638162 523479991 /nfs/dbraw/zinc/47/99/91/523479991.db2.gz QZSLOAJMADSCEQ-MCIONIFRSA-N 1 3 324.425 -0.742 20 0 DBADHO CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000332188546 523481800 /nfs/dbraw/zinc/48/18/00/523481800.db2.gz XHRUGELUJNRDFR-MCIONIFRSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C(=O)NC[C@@H]1CNCCO1 ZINC000332188546 523481807 /nfs/dbraw/zinc/48/18/07/523481807.db2.gz XHRUGELUJNRDFR-MCIONIFRSA-N 1 3 324.425 -0.824 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000332550475 523481970 /nfs/dbraw/zinc/48/19/70/523481970.db2.gz JIXOQEBTCPFYJW-MGPQQGTHSA-N 1 3 308.426 -0.060 20 0 DBADHO 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-0.037 20 0 DBADHO O=C(NC[C@@H]1[C@H]2C[N@H+](CCO)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978562578 665543904 /nfs/dbraw/zinc/54/39/04/665543904.db2.gz UHZYDZUJGGLJDY-QVCCVMCISA-N 1 3 321.421 -0.864 20 0 DBADHO O=C(NC[C@@H]1[C@H]2C[N@@H+](CCO)C[C@H]21)[C@H]1CN2CC3CC2(C3)CO1 ZINC000978562578 665543906 /nfs/dbraw/zinc/54/39/06/665543906.db2.gz UHZYDZUJGGLJDY-QVCCVMCISA-N 1 3 321.421 -0.864 20 0 DBADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(N)=O)C[C@H]21 ZINC000978634651 665549371 /nfs/dbraw/zinc/54/93/71/665549371.db2.gz BVSGWKQFKIVYHO-XYYAHUGASA-N 1 3 320.393 -0.266 20 0 DBADHO CN(C)Cc1ccoc1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(N)=O)C[C@H]21 ZINC000978634651 665549375 /nfs/dbraw/zinc/54/93/75/665549375.db2.gz BVSGWKQFKIVYHO-XYYAHUGASA-N 1 3 320.393 -0.266 20 0 DBADHO O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037289 665826730 /nfs/dbraw/zinc/82/67/30/665826730.db2.gz SWVNWMDXNMQQHT-GWUWNPHMSA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(NC[C@@H]1CCC[N@@H+]1CCCO)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001028037289 665826733 /nfs/dbraw/zinc/82/67/33/665826733.db2.gz SWVNWMDXNMQQHT-GWUWNPHMSA-N 1 3 323.437 -0.187 20 0 DBADHO C[C@@H](O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)C1 ZINC001020407296 663801345 /nfs/dbraw/zinc/80/13/45/663801345.db2.gz XNVZPRJGVWWZFV-PPKIEJHQSA-N 1 3 309.410 -0.533 20 0 DBADHO CC(C)(C)N1CC[C@](F)(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)C1 ZINC001020590419 663871052 /nfs/dbraw/zinc/87/10/52/663871052.db2.gz VOUQFLKOITUDAZ-UEKVPHQBSA-N 1 3 314.405 -0.079 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC000969985949 663889089 /nfs/dbraw/zinc/88/90/89/663889089.db2.gz PEGWHRLKTOHPQU-UTUOFQBUSA-N 1 3 310.398 -0.678 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@@H]2CCc3ncnn32)C1 ZINC000970103419 663905054 /nfs/dbraw/zinc/90/50/54/663905054.db2.gz OIVSHTWIGMTQGX-YPMHNXCESA-N 1 3 315.381 -0.078 20 0 DBADHO COCCN1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970169859 663934186 /nfs/dbraw/zinc/93/41/86/663934186.db2.gz PQOMVXJBGHYMFM-RXAYYZCOSA-N 1 3 323.437 -0.068 20 0 DBADHO COCCN1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970169859 663934191 /nfs/dbraw/zinc/93/41/91/663934191.db2.gz PQOMVXJBGHYMFM-RXAYYZCOSA-N 1 3 323.437 -0.068 20 0 DBADHO O=C(N1CC[C@@H](N[C@H]2CCC(=O)NC2=O)C1)C12CC[NH+](CC1)C2 ZINC000970489376 663998563 /nfs/dbraw/zinc/99/85/63/663998563.db2.gz BGSDVUVRPWLSLV-NEPJUHHUSA-N 1 3 320.393 -0.922 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N1CC[C@H](CC[NH3+])C1 ZINC000926332543 664305842 /nfs/dbraw/zinc/30/58/42/664305842.db2.gz KPQPCSHGJKRHKK-ZDUSSCGKSA-N 1 3 314.430 -0.780 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022712288 664338907 /nfs/dbraw/zinc/33/89/07/664338907.db2.gz OOAUZBXQTCXZOF-FQUUOJAGSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)C1 ZINC001022715530 664340109 /nfs/dbraw/zinc/34/01/09/664340109.db2.gz 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C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936279758 665060712 /nfs/dbraw/zinc/06/07/12/665060712.db2.gz JYQGHBSLQLHKSG-NWDGAFQWSA-N 1 3 305.382 -0.379 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000936279758 665060715 /nfs/dbraw/zinc/06/07/15/665060715.db2.gz JYQGHBSLQLHKSG-NWDGAFQWSA-N 1 3 305.382 -0.379 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019775068 665096569 /nfs/dbraw/zinc/09/65/69/665096569.db2.gz VIRZRCBQSFMAQD-RYUDHWBXSA-N 1 3 308.382 -0.922 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000911160929 674684259 /nfs/dbraw/zinc/68/42/59/674684259.db2.gz HCXIEFHOKCPXCY-ZDUSSCGKSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CNC(=O)C(=O)NCCN1CCC[C@@H](C)C1 ZINC000911160282 674684327 /nfs/dbraw/zinc/68/43/27/674684327.db2.gz AFFINLSSJUIOEP-MCIONIFRSA-N 1 3 310.442 -0.194 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000911162995 674684934 /nfs/dbraw/zinc/68/49/34/674684934.db2.gz VKCQADKVAUSPFA-YIYPIFLZSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026044752 665120851 /nfs/dbraw/zinc/12/08/51/665120851.db2.gz STLCAQZRRKXMFM-NJURLYQPSA-N 1 3 320.437 -0.395 20 0 DBADHO C[C@@H]1CCN(CC(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)C1 ZINC001026044752 665120852 /nfs/dbraw/zinc/12/08/52/665120852.db2.gz STLCAQZRRKXMFM-NJURLYQPSA-N 1 3 320.437 -0.395 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026040744 665121111 /nfs/dbraw/zinc/12/11/11/665121111.db2.gz BSJHQIYINFBQJS-ZHMBSYLPSA-N 1 3 320.437 -0.204 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001026040744 665121114 /nfs/dbraw/zinc/12/11/14/665121114.db2.gz BSJHQIYINFBQJS-ZHMBSYLPSA-N 1 3 320.437 -0.204 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000974148442 665172926 /nfs/dbraw/zinc/17/29/26/665172926.db2.gz TZYDAXQLGWIMOS-RWMBFGLXSA-N 1 3 319.409 -0.024 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000974148442 665172927 /nfs/dbraw/zinc/17/29/27/665172927.db2.gz TZYDAXQLGWIMOS-RWMBFGLXSA-N 1 3 319.409 -0.024 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911205813 674689556 /nfs/dbraw/zinc/68/95/56/674689556.db2.gz CDRMEMWSIGJXMJ-IGQOVBAYSA-N 1 3 308.426 -0.014 20 0 DBADHO O=C(NC1CCC([NH2+]CCO)CC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001026531156 665204841 /nfs/dbraw/zinc/20/48/41/665204841.db2.gz VHWRDTQMYDYUHW-UZZMVUAXSA-N 1 3 323.437 -0.141 20 0 DBADHO CN(CC(=O)N1CC[C@@H](C[NH2+][C@@H]2CCNC2=O)C1)C1CCC1 ZINC001026891523 665240551 /nfs/dbraw/zinc/24/05/51/665240551.db2.gz XHXITUYZUCOHNO-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911224081 674694972 /nfs/dbraw/zinc/69/49/72/674694972.db2.gz VFKWJHREFQGVCO-YUELXQCFSA-N 1 3 322.453 -0.051 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911223667 674695038 /nfs/dbraw/zinc/69/50/38/674695038.db2.gz RCLJNVCPBBGMRC-PBHICJAKSA-N 1 3 320.437 -0.059 20 0 DBADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000911224327 674695085 /nfs/dbraw/zinc/69/50/85/674695085.db2.gz WXXIUWWQMOFDEV-GRDNDAEWSA-N 1 3 320.437 -0.073 20 0 DBADHO [NH3+]C[C@]12CC[C@H]1CCN2C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000911224328 674695317 /nfs/dbraw/zinc/69/53/17/674695317.db2.gz WXXIUWWQMOFDEV-JJRVBVJISA-N 1 3 320.437 -0.073 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000911224394 674695419 /nfs/dbraw/zinc/69/54/19/674695419.db2.gz XULVXGQWDMJORA-RRFJBIMHSA-N 1 3 320.437 -0.345 20 0 DBADHO Cn1nncc1C[NH2+]C[C@@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001027217369 665307371 /nfs/dbraw/zinc/30/73/71/665307371.db2.gz JLCQCWNCNJECLO-ZDUSSCGKSA-N 1 3 306.414 -0.151 20 0 DBADHO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)CN3CCCC3)C2)C1=O ZINC001027218075 665308046 /nfs/dbraw/zinc/30/80/46/665308046.db2.gz XGTLZFFIJDRUOV-UONOGXRCSA-N 1 3 308.426 -0.249 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911310436 674703859 /nfs/dbraw/zinc/70/38/59/674703859.db2.gz VQGRKQLPYJORKW-CHWSQXEVSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NCCN1CCC(C)(C)C1 ZINC000911310437 674704106 /nfs/dbraw/zinc/70/41/06/674704106.db2.gz VQGRKQLPYJORKW-OLZOCXBDSA-N 1 3 310.442 -0.051 20 0 DBADHO CC1(C)CCN(CCNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000911282816 674705219 /nfs/dbraw/zinc/70/52/19/674705219.db2.gz BOWGRXKZWFVEBY-CYBMUJFWSA-N 1 3 310.442 -0.050 20 0 DBADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N[C@H]2CCCN3CCCC[C@@H]23)C1 ZINC000911324752 674706330 /nfs/dbraw/zinc/70/63/30/674706330.db2.gz KRCMOWZOEWWLSC-XUXIUFHCSA-N 1 3 308.426 -0.027 20 0 DBADHO CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1CNCCO1 ZINC000911310796 674707492 /nfs/dbraw/zinc/70/74/92/674707492.db2.gz NREQQOJGCVUUOG-GFCCVEGCSA-N 1 3 314.430 -0.863 20 0 DBADHO [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)C1 ZINC000911493036 674731492 /nfs/dbraw/zinc/73/14/92/674731492.db2.gz JYHQCIJBHHUHKY-MJBXVCDLSA-N 1 3 308.426 -0.073 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911520896 674735695 /nfs/dbraw/zinc/73/56/95/674735695.db2.gz QULUYRQVCVLHEP-LBPRGKRZSA-N 1 3 314.430 -0.863 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000911516882 674735168 /nfs/dbraw/zinc/73/51/68/674735168.db2.gz ORDHJEADBSHOTI-ZIAGYGMSSA-N 1 3 304.394 -0.253 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)C1 ZINC000911547506 674736943 /nfs/dbraw/zinc/73/69/43/674736943.db2.gz VMHSVDFXEDMNRV-YIYPIFLZSA-N 1 3 308.426 -0.063 20 0 DBADHO [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)N2CC[C@@H](N3CCCCC3)C2)C1 ZINC000911557625 674738621 /nfs/dbraw/zinc/73/86/21/674738621.db2.gz QAODERPAGGJKBM-MGPQQGTHSA-N 1 3 308.426 -0.073 20 0 DBADHO C[NH+](C)CCN1C[C@H](C(=O)N[C@@]2(C)CN3CCC2CC3)CC1=O ZINC000912376958 674766806 /nfs/dbraw/zinc/76/68/06/674766806.db2.gz BKQGNDMSURMIBO-DYVFJYSZSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@@H](C(=O)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1)N(C)C ZINC000991886141 674913293 /nfs/dbraw/zinc/91/32/93/674913293.db2.gz HEBZZDBPIVBDDC-GJZGRUSLSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)N(C)C ZINC000992088656 674943211 /nfs/dbraw/zinc/94/32/11/674943211.db2.gz YVVPAWIYGIZMPP-MRVWCRGKSA-N 1 3 310.442 -0.006 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1)N(C)C ZINC000992088656 674943214 /nfs/dbraw/zinc/94/32/14/674943214.db2.gz YVVPAWIYGIZMPP-MRVWCRGKSA-N 1 3 310.442 -0.006 20 0 DBADHO C[NH+](C)CC1(O)CCN(C(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000913675619 674999487 /nfs/dbraw/zinc/99/94/87/674999487.db2.gz BARWRSDFSBVRCB-UONOGXRCSA-N 1 3 311.426 -0.235 20 0 DBADHO C[C@H](C(=O)N(C)C)N1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001028930741 671108478 /nfs/dbraw/zinc/10/84/78/671108478.db2.gz FEGKQRAVZATIGY-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001028985331 671141159 /nfs/dbraw/zinc/14/11/59/671141159.db2.gz KCHOWFAIUDCEQH-ZIAGYGMSSA-N 1 3 323.441 -0.599 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCN(CCN3CCNC3=O)C2)C1 ZINC001028985331 671141166 /nfs/dbraw/zinc/14/11/66/671141166.db2.gz KCHOWFAIUDCEQH-ZIAGYGMSSA-N 1 3 323.441 -0.599 20 0 DBADHO CN1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2C)cc(C(N)=O)n1 ZINC000895766869 671367351 /nfs/dbraw/zinc/36/73/51/671367351.db2.gz FYVULLQZXCPAEA-MNOVXSKESA-N 1 3 319.413 -0.193 20 0 DBADHO CN1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)cc(C(N)=O)n1 ZINC000895766869 671367355 /nfs/dbraw/zinc/36/73/55/671367355.db2.gz FYVULLQZXCPAEA-MNOVXSKESA-N 1 3 319.413 -0.193 20 0 DBADHO O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000896212306 671386211 /nfs/dbraw/zinc/38/62/11/671386211.db2.gz IAIDMCZKHIWBEJ-OAGGEKHMSA-N 1 3 323.437 -0.235 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000984805068 671427177 /nfs/dbraw/zinc/42/71/77/671427177.db2.gz RJHFDMSOGBJVLA-SYQHCUMBSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029586144 671468882 /nfs/dbraw/zinc/46/88/82/671468882.db2.gz NWGDEFXFYGFUKX-KFWWJZLASA-N 1 3 311.426 -0.378 20 0 DBADHO C[C@H](CN1CCOCC1)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2CCO ZINC001029586144 671468884 /nfs/dbraw/zinc/46/88/84/671468884.db2.gz NWGDEFXFYGFUKX-KFWWJZLASA-N 1 3 311.426 -0.378 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NCC1(CO)COC1 ZINC000665761180 671484322 /nfs/dbraw/zinc/48/43/22/671484322.db2.gz ZTHTWMDNPUKTPD-ZDUSSCGKSA-N 1 3 316.446 -0.434 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)NCC1(CO)COC1 ZINC000665761180 671484327 /nfs/dbraw/zinc/48/43/27/671484327.db2.gz ZTHTWMDNPUKTPD-ZDUSSCGKSA-N 1 3 316.446 -0.434 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)NC[C@@H]1CCC(=O)N1 ZINC000665763738 671484953 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C[N@@H+]([C@H]1CCNC1=O)C1CCN(C(=O)CN2CCCC2)CC1 ZINC000985793462 671527832 /nfs/dbraw/zinc/52/78/32/671527832.db2.gz RSDZRHPLNAAUPK-AWEZNQCLSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)[C@H]1CCNC1=O ZINC001030013645 671635103 /nfs/dbraw/zinc/63/51/03/671635103.db2.gz NYNRJEZWHBFUGC-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)[C@H]1CCNC1=O ZINC001030013645 671635108 /nfs/dbraw/zinc/63/51/08/671635108.db2.gz NYNRJEZWHBFUGC-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1[C@H]([NH2+]CCn2cncn2)CCN1C(=O)Cc1c[nH]cn1 ZINC000987056160 671640210 /nfs/dbraw/zinc/64/02/10/671640210.db2.gz DWDAVHFYFVRYQA-DGCLKSJQSA-N 1 3 303.370 -0.177 20 0 DBADHO C[C@H]1[C@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066597 671643277 /nfs/dbraw/zinc/64/32/77/671643277.db2.gz KRKSTDGCTWPZBW-WCQYABFASA-N 1 3 320.397 -0.444 20 0 DBADHO C[C@H]1[C@H](NCc2cnnn2C)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC000987360779 671680106 /nfs/dbraw/zinc/68/01/06/671680106.db2.gz XDRHPVBUAFJBCK-GXTWGEPZSA-N 1 3 318.425 -0.010 20 0 DBADHO C[C@@H]1[C@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN1CCCC1 ZINC000987521221 671696410 /nfs/dbraw/zinc/69/64/10/671696410.db2.gz YVZYXMVKKWGFHR-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000937978305 671856643 /nfs/dbraw/zinc/85/66/43/671856643.db2.gz JYQGHBSLQLHKSG-NEPJUHHUSA-N 1 3 305.382 -0.379 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N[C@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC000937978305 671856644 /nfs/dbraw/zinc/85/66/44/671856644.db2.gz JYQGHBSLQLHKSG-NEPJUHHUSA-N 1 3 305.382 -0.379 20 0 DBADHO CC[C@H](C(=O)N1CCC[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)N(C)C ZINC001030019489 671879641 /nfs/dbraw/zinc/87/96/41/671879641.db2.gz WPBHJRLJGMYVMG-YNEHKIRRSA-N 1 3 324.425 -0.288 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)c2nnc[nH]2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000989320965 672479032 /nfs/dbraw/zinc/47/90/32/672479032.db2.gz KYZAMRWSVRZEBT-VWYCJHECSA-N 1 3 306.370 -0.524 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)c2nnc[nH]2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000989320965 672479033 /nfs/dbraw/zinc/47/90/33/672479033.db2.gz KYZAMRWSVRZEBT-VWYCJHECSA-N 1 3 306.370 -0.524 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)c2ncn[nH]2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000989320965 672479037 /nfs/dbraw/zinc/47/90/37/672479037.db2.gz KYZAMRWSVRZEBT-VWYCJHECSA-N 1 3 306.370 -0.524 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)c2ncn[nH]2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000989320965 672479040 /nfs/dbraw/zinc/47/90/40/672479040.db2.gz KYZAMRWSVRZEBT-VWYCJHECSA-N 1 3 306.370 -0.524 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC000989320965 672479042 /nfs/dbraw/zinc/47/90/42/672479042.db2.gz KYZAMRWSVRZEBT-VWYCJHECSA-N 1 3 306.370 -0.524 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)c2nc[nH]n2)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000989320965 672479045 /nfs/dbraw/zinc/47/90/45/672479045.db2.gz KYZAMRWSVRZEBT-VWYCJHECSA-N 1 3 306.370 -0.524 20 0 DBADHO C[C@@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989493447 672555449 /nfs/dbraw/zinc/55/54/49/672555449.db2.gz UKOOTUIRJCSGPI-YPMHNXCESA-N 1 3 320.397 -0.444 20 0 DBADHO C[C@@H]1C[C@H](NCC(N)=O)CN1C(=O)COC1CC[NH+](C)CC1 ZINC000989618606 672570767 /nfs/dbraw/zinc/57/07/67/672570767.db2.gz LJGDWXSOAFQBCC-NEPJUHHUSA-N 1 3 312.414 -0.839 20 0 DBADHO C[C@@H]1C[C@@H](NCC(=O)N2CCC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC000989683806 672583050 /nfs/dbraw/zinc/58/30/50/672583050.db2.gz SFSHDTUVNNPJJW-ZIAGYGMSSA-N 1 3 320.437 -0.107 20 0 DBADHO CC[NH+](CC)CCOCCN1C(=O)N[C@H](CN(C)C)C1=O ZINC000925333625 677497643 /nfs/dbraw/zinc/49/76/43/677497643.db2.gz VZSVVIBYDCMNEH-GFCCVEGCSA-N 1 3 300.403 -0.173 20 0 DBADHO CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(N)=O ZINC000995823475 678206262 /nfs/dbraw/zinc/20/62/62/678206262.db2.gz MQFASVLSJGSSPR-CHWSQXEVSA-N 1 3 308.426 -0.360 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000996439784 678243024 /nfs/dbraw/zinc/24/30/24/678243024.db2.gz FGFOUGPORAQUKX-LRDDRELGSA-N 1 3 322.453 -0.005 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC000996439784 678243028 /nfs/dbraw/zinc/24/30/28/678243028.db2.gz FGFOUGPORAQUKX-LRDDRELGSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000996437074 678248600 /nfs/dbraw/zinc/24/86/00/678248600.db2.gz SSBMBRSPOBLREM-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](C(=O)N1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000996437074 678248601 /nfs/dbraw/zinc/24/86/01/678248601.db2.gz SSBMBRSPOBLREM-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996468889 678252711 /nfs/dbraw/zinc/25/27/11/678252711.db2.gz IDISNPYFDHXVLU-ZDUSSCGKSA-N 1 3 306.410 -0.497 20 0 DBADHO C[C@H](N[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C)C(N)=O ZINC000996519222 678259675 /nfs/dbraw/zinc/25/96/75/678259675.db2.gz JWCDDPGBCSQQFO-NWDGAFQWSA-N 1 3 308.426 -0.217 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2C[C@H](NCC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996610774 678269577 /nfs/dbraw/zinc/26/95/77/678269577.db2.gz KLLJYHQGBSTPJA-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2C[C@H](NCC(=O)N3CCC3)C(C)(C)C2)C1 ZINC000996610774 678269579 /nfs/dbraw/zinc/26/95/79/678269579.db2.gz KLLJYHQGBSTPJA-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)C1(C(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)CCC1 ZINC000996667304 678276032 /nfs/dbraw/zinc/27/60/32/678276032.db2.gz WCPZYCYCASZLOE-ZDUSSCGKSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)CC1 ZINC000996824062 678308989 /nfs/dbraw/zinc/30/89/89/678308989.db2.gz YKYBPNDFYHUXDO-KKVZTGDRSA-N 1 3 323.437 -0.189 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCC([NH2+][C@H]3CCNC3=O)CC2)C1 ZINC000997009121 678356969 /nfs/dbraw/zinc/35/69/69/678356969.db2.gz YGRATZWLORPNSD-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000997043488 678365081 /nfs/dbraw/zinc/36/50/81/678365081.db2.gz YWSOQNFXJNGDNY-UHFFFAOYSA-N 1 3 303.370 -0.176 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000997242392 678422049 /nfs/dbraw/zinc/42/20/49/678422049.db2.gz HVRSPCCLZTYAMB-LLVKDONJSA-N 1 3 305.382 -0.461 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000997242392 678422052 /nfs/dbraw/zinc/42/20/52/678422052.db2.gz HVRSPCCLZTYAMB-LLVKDONJSA-N 1 3 305.382 -0.461 20 0 DBADHO O=C(CN1CCCC1)N1CCC([NH2+]CCN2CCNC2=O)CC1 ZINC000997307535 678428059 /nfs/dbraw/zinc/42/80/59/678428059.db2.gz UFUXFWMMOQSLSU-UHFFFAOYSA-N 1 3 323.441 -0.312 20 0 DBADHO O=C(CN1CCCC1)N1CCC(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000998270649 678580545 /nfs/dbraw/zinc/58/05/45/678580545.db2.gz WZDARRYLUJQSIZ-CQSZACIVSA-N 1 3 308.426 -0.201 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCN2CCNC2=O)C1 ZINC000998548414 678613846 /nfs/dbraw/zinc/61/38/46/678613846.db2.gz HWOZRGMGOGMVHD-RUXDESIVSA-N 1 3 323.441 -0.315 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999759415 678739717 /nfs/dbraw/zinc/73/97/17/678739717.db2.gz BSHQPPOVCVAPQD-MYMJJRTCSA-N 1 3 309.410 -0.578 20 0 DBADHO CC[C@@H](C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC000999862516 678759218 /nfs/dbraw/zinc/75/92/18/678759218.db2.gz FMBLKZKDQLVAHJ-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](C(=O)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC000999862516 678759224 /nfs/dbraw/zinc/75/92/24/678759224.db2.gz FMBLKZKDQLVAHJ-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000999866789 678760398 /nfs/dbraw/zinc/76/03/98/678760398.db2.gz ZZKQEMOTVVXROP-GXTWGEPZSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NC2CN(C(=O)[C@H]3CCCN3C)C2)C1 ZINC000999866789 678760403 /nfs/dbraw/zinc/76/04/03/678760403.db2.gz ZZKQEMOTVVXROP-GXTWGEPZSA-N 1 3 308.426 -0.251 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NCC2=CCN(CCO)CC2)n1 ZINC001000693719 678864298 /nfs/dbraw/zinc/86/42/98/678864298.db2.gz QYDYGPYHMFJJAT-UHFFFAOYSA-N 1 3 321.425 -0.201 20 0 DBADHO CN(C)C[C@@H]1NC(=O)N(C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1=O ZINC000925348937 678963130 /nfs/dbraw/zinc/96/31/30/678963130.db2.gz NVUXGARBMRAZAC-MELADBBJSA-N 1 3 324.425 -0.154 20 0 DBADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001001978549 678964102 /nfs/dbraw/zinc/96/41/02/678964102.db2.gz QXSCCDUCMDOLFH-ZIAGYGMSSA-N 1 3 310.442 -0.147 20 0 DBADHO CC[C@H](C(=O)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001001978549 678964105 /nfs/dbraw/zinc/96/41/05/678964105.db2.gz QXSCCDUCMDOLFH-ZIAGYGMSSA-N 1 3 310.442 -0.147 20 0 DBADHO O=C(NC1CC[NH+](CCCO)CC1)[C@H]1CN2CCC[C@H]2CO1 ZINC001002876377 679007377 /nfs/dbraw/zinc/00/73/77/679007377.db2.gz YGFLOBLBKGOFLO-LSDHHAIUSA-N 1 3 311.426 -0.187 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCOCCO)CC[N@@H+]1C ZINC000922117918 679016168 /nfs/dbraw/zinc/01/61/68/679016168.db2.gz XKEJKUVJXOBAPB-KBPBESRZSA-N 1 3 301.431 -0.226 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NCCN(C)CCOCCO)CC[N@H+]1C ZINC000922117918 679016169 /nfs/dbraw/zinc/01/61/69/679016169.db2.gz XKEJKUVJXOBAPB-KBPBESRZSA-N 1 3 301.431 -0.226 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)N1CCCCC1 ZINC000842016953 805579631 /nfs/dbraw/zinc/57/96/31/805579631.db2.gz ZXVPHFOEDUEZPO-MELADBBJSA-N 1 3 308.426 -0.345 20 0 DBADHO CN1CCN(CCCCNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844192527 805653477 /nfs/dbraw/zinc/65/34/77/805653477.db2.gz WQQKCHVWDZGSEG-HNNXBMFYSA-N 1 3 312.458 -0.101 20 0 DBADHO O=C(N[C@@H]1CCCN2CCCC[C@H]12)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848616934 805843996 /nfs/dbraw/zinc/84/39/96/805843996.db2.gz YTYVMDYPVMOZEC-TUVASFSCSA-N 1 3 320.437 -0.060 20 0 DBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCn1cc(CO)nn1 ZINC000849029436 805855798 /nfs/dbraw/zinc/85/57/98/805855798.db2.gz WZOZYFNQAVANAA-CYBMUJFWSA-N 1 3 309.418 -0.241 20 0 DBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)N(C)C ZINC000849029679 805856134 /nfs/dbraw/zinc/85/61/34/805856134.db2.gz HDGOPOQMMQZHKX-NSHDSACASA-N 1 3 305.448 -0.524 20 0 DBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCCCCS(N)(=O)=O ZINC000849031411 805856454 /nfs/dbraw/zinc/85/64/54/805856454.db2.gz LMGRTNOMUFHPAH-NSHDSACASA-N 1 3 305.448 -0.347 20 0 DBADHO CC[C@H](CNS(C)(=O)=O)NC(=[NH2+])NC[C@H]1CCCN1CC ZINC000849114516 805857384 /nfs/dbraw/zinc/85/73/84/805857384.db2.gz LKUZTXOPANPDPL-VXGBXAGGSA-N 1 3 319.475 -0.088 20 0 DBADHO N[C@@H]1CN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[C@H]1F ZINC000851657350 805923451 /nfs/dbraw/zinc/92/34/51/805923451.db2.gz XYKMYSQUEUSPKN-YVECIDJPSA-N 1 3 300.378 -0.070 20 0 DBADHO N[C@@H]1CN(C(=O)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC[C@H]1F ZINC000851657350 805923456 /nfs/dbraw/zinc/92/34/56/805923456.db2.gz XYKMYSQUEUSPKN-YVECIDJPSA-N 1 3 300.378 -0.070 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001317113376 806090566 /nfs/dbraw/zinc/09/05/66/806090566.db2.gz MWQLZTDRSLMBMP-NTZNESFSSA-N 1 3 322.409 -0.487 20 0 DBADHO CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001317308627 806128975 /nfs/dbraw/zinc/12/89/75/806128975.db2.gz OLUCSJSTNXOBHL-KBPBESRZSA-N 1 3 301.431 -0.228 20 0 DBADHO Cc1nc(CNCCN(C)C(=O)COC2CC[NH+](C)CC2)n[nH]1 ZINC001317646447 806215938 /nfs/dbraw/zinc/21/59/38/806215938.db2.gz VPWKQPNCEVOMFM-UHFFFAOYSA-N 1 3 324.429 -0.228 20 0 DBADHO C[N@H+](CCOCCO)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317860198 806238353 /nfs/dbraw/zinc/23/83/53/806238353.db2.gz BYVSBWBPONLQBC-OAHLLOKOSA-N 1 3 313.442 -0.129 20 0 DBADHO C[N@@H+](CCOCCO)C[C@H]1CCN(C(=O)CN2CCCC2)C1 ZINC001317860198 806238358 /nfs/dbraw/zinc/23/83/58/806238358.db2.gz BYVSBWBPONLQBC-OAHLLOKOSA-N 1 3 313.442 -0.129 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000861572050 806275683 /nfs/dbraw/zinc/27/56/83/806275683.db2.gz MJFCXQCGKLDXDX-KGLIPLIRSA-N 1 3 314.430 -0.273 20 0 DBADHO CN(CCOCC[NH3+])C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000861573532 806276045 /nfs/dbraw/zinc/27/60/45/806276045.db2.gz IHPFLZBLNJDZNE-QWHCGFSZSA-N 1 3 300.403 -0.534 20 0 DBADHO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)N1CCN(C)CC1 ZINC001318757792 806325542 /nfs/dbraw/zinc/32/55/42/806325542.db2.gz WCPNRNSSVBMROX-GJZGRUSLSA-N 1 3 311.474 -0.626 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC(=O)NC1=O ZINC001319132378 806346674 /nfs/dbraw/zinc/34/66/74/806346674.db2.gz KCDJSMMRNCQWAD-CHWSQXEVSA-N 1 3 324.425 -0.288 20 0 DBADHO CC(C)(C)OC(=O)NC[C@H](O)C[NH2+]C[C@H](O)CN1CCCC1 ZINC000863559443 806365264 /nfs/dbraw/zinc/36/52/64/806365264.db2.gz NSMBNVCLTFTNOR-OLZOCXBDSA-N 1 3 317.430 -0.082 20 0 DBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cnc[nH]1 ZINC000865799054 806424040 /nfs/dbraw/zinc/42/40/40/806424040.db2.gz GRTKYHZRXIVMTQ-AWEZNQCLSA-N 1 3 309.414 -0.073 20 0 DBADHO NC(=O)Cc1cccc2c1CCN(CCN1CC[NH2+]CC1)C2 ZINC000866684841 806448726 /nfs/dbraw/zinc/44/87/26/806448726.db2.gz VBXUYZZSZZAJKU-UHFFFAOYSA-N 1 3 302.422 -0.022 20 0 DBADHO CC(C)(C(=O)NC[C@H](O)C[NH2+]CCn1cncn1)N1CCCC1 ZINC001320259132 806464485 /nfs/dbraw/zinc/46/44/85/806464485.db2.gz PIWNMSCPBYRHAX-CYBMUJFWSA-N 1 3 324.429 -0.781 20 0 DBADHO CN(CCOCC[NH3+])C(=O)C(=O)N1CCN(C)C(C)(C)CC1 ZINC000868406095 806552382 /nfs/dbraw/zinc/55/23/82/806552382.db2.gz LQXOCHRNUAGSJR-UHFFFAOYSA-N 1 3 314.430 -0.637 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000868421212 806554589 /nfs/dbraw/zinc/55/45/89/806554589.db2.gz JEUHZGDCCAANIF-KGLIPLIRSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868419231 806555124 /nfs/dbraw/zinc/55/51/24/806555124.db2.gz WJNLDEOSIQIFRX-ZIAGYGMSSA-N 1 3 308.426 -0.108 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NC/C=C/CNC(=O)CC[NH+](C)C ZINC001321222846 806590068 /nfs/dbraw/zinc/59/00/68/806590068.db2.gz MICBVOZETJBSRI-MVIFTORASA-N 1 3 313.402 -0.956 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)C1 ZINC001321251014 806594387 /nfs/dbraw/zinc/59/43/87/806594387.db2.gz PLVLAYOWRFRRHH-JKWAOEONSA-N 1 3 308.426 -0.179 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CN[C@H]2CCN(C)C2=O)C1 ZINC001321251014 806594396 /nfs/dbraw/zinc/59/43/96/806594396.db2.gz PLVLAYOWRFRRHH-JKWAOEONSA-N 1 3 308.426 -0.179 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)C1 ZINC001321251015 806595128 /nfs/dbraw/zinc/59/51/28/806595128.db2.gz PLVLAYOWRFRRHH-LSMGEYOZSA-N 1 3 308.426 -0.179 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)C1 ZINC001321251015 806595135 /nfs/dbraw/zinc/59/51/35/806595135.db2.gz PLVLAYOWRFRRHH-LSMGEYOZSA-N 1 3 308.426 -0.179 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998608 806615732 /nfs/dbraw/zinc/61/57/32/806615732.db2.gz FJKYJXDDXCDBQQ-UPJWGTAASA-N 1 3 310.398 -0.278 20 0 DBADHO C[C@H](CN[C@H]1CCC(=O)NC1=O)NC(=O)C1(C[NH+](C)C)CC1 ZINC001321627911 806648855 /nfs/dbraw/zinc/64/88/55/806648855.db2.gz NYXXQPXKBDMFNW-MNOVXSKESA-N 1 3 310.398 -0.772 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000872191661 806648958 /nfs/dbraw/zinc/64/89/58/806648958.db2.gz LXYAPXFMZFRRFR-BLLLJJGKSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001321663912 806654394 /nfs/dbraw/zinc/65/43/94/806654394.db2.gz XLLSZWHKDKVETI-GFCCVEGCSA-N 1 3 319.471 -0.143 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000872303111 806655108 /nfs/dbraw/zinc/65/51/08/806655108.db2.gz BYJHATGRNRQKDQ-RFQIPJPRSA-N 1 3 324.425 -0.034 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)N(C)C ZINC000872303113 806655685 /nfs/dbraw/zinc/65/56/85/806655685.db2.gz BYJHATGRNRQKDQ-YIYPIFLZSA-N 1 3 324.425 -0.034 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322042241 806704882 /nfs/dbraw/zinc/70/48/82/806704882.db2.gz OPUWEVGDUIQXEZ-RYUDHWBXSA-N 1 3 305.444 -0.533 20 0 DBADHO C[C@@H](CNCCS(C)(=O)=O)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001322042241 806704887 /nfs/dbraw/zinc/70/48/87/806704887.db2.gz OPUWEVGDUIQXEZ-RYUDHWBXSA-N 1 3 305.444 -0.533 20 0 DBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000875236901 806739549 /nfs/dbraw/zinc/73/95/49/806739549.db2.gz GKLYAAQOOFDRPF-MGPQQGTHSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(NCCN1CC[C@@H](O)C1)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000875236901 806739554 /nfs/dbraw/zinc/73/95/54/806739554.db2.gz GKLYAAQOOFDRPF-MGPQQGTHSA-N 1 3 312.414 -0.785 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)C3(C(N)=O)CC3)CC2)CC1 ZINC001322635265 806763251 /nfs/dbraw/zinc/76/32/51/806763251.db2.gz MKFDKTVSXRMCBX-UHFFFAOYSA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)CCC[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001322693344 806769016 /nfs/dbraw/zinc/76/90/16/806769016.db2.gz GOBJSKQVCNAOIA-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CN(CCCCNC(=O)[C@@H](N)C[NH+](C)C)C[C@H](C)O1 ZINC000876731742 806801956 /nfs/dbraw/zinc/80/19/56/806801956.db2.gz UIXKICMKQCNZOO-IHRRRGAJSA-N 1 3 300.447 -0.119 20 0 DBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H](N)CN(C)C)C1 ZINC000876775106 806804882 /nfs/dbraw/zinc/80/48/82/806804882.db2.gz OKHXJAMHAHFNGF-KBPBESRZSA-N 1 3 300.447 -0.165 20 0 DBADHO [NH3+]CCn1cc(C(=O)NC[C@H]2Cc3ccccc3CN2)nn1 ZINC000877339519 806833987 /nfs/dbraw/zinc/83/39/87/806833987.db2.gz BROFHJBEUHFLGE-CYBMUJFWSA-N 1 3 300.366 -0.319 20 0 DBADHO C[NH+]1CCC(NC(=O)CN2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000878135586 806848524 /nfs/dbraw/zinc/84/85/24/806848524.db2.gz QMXQWNUWOBAOLD-OAHLLOKOSA-N 1 3 324.469 -0.149 20 0 DBADHO COCC[N@H+](C)C[C@@H](O)CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584294 806932327 /nfs/dbraw/zinc/93/23/27/806932327.db2.gz HSSXKVCLCILILV-HUUCEWRRSA-N 1 3 316.442 -0.211 20 0 DBADHO COCC[N@@H+](C)C[C@@H](O)CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584294 806932330 /nfs/dbraw/zinc/93/23/30/806932330.db2.gz HSSXKVCLCILILV-HUUCEWRRSA-N 1 3 316.442 -0.211 20 0 DBADHO C[NH+](C)CCC(=O)N1CCC[C@@H]1CNCCS(C)(=O)=O ZINC001324220102 806953395 /nfs/dbraw/zinc/95/33/95/806953395.db2.gz HFBCYDAZWGDGGU-GFCCVEGCSA-N 1 3 305.444 -0.437 20 0 DBADHO CC(C)N1CCC(N(C)S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000040860183 803761981 /nfs/dbraw/zinc/76/19/81/803761981.db2.gz VGMHYHYUQPIFFB-UHFFFAOYSA-N 1 3 304.460 -0.059 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@H]([NH2+]CCOCCO)C[C@@H]1C ZINC001284032533 804628054 /nfs/dbraw/zinc/62/80/54/804628054.db2.gz NJUISWZLECRERM-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO CN(CCOCC[NH2+][C@H]1CCNC1=O)C(=O)[C@H]1CCCN1C ZINC001284853764 804777277 /nfs/dbraw/zinc/77/72/77/804777277.db2.gz BLWXSEISNHYDFT-QWHCGFSZSA-N 1 3 312.414 -0.966 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001293332473 805414746 /nfs/dbraw/zinc/41/47/46/805414746.db2.gz GNBXCEBMTMGRGB-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001293332473 805414750 /nfs/dbraw/zinc/41/47/50/805414750.db2.gz GNBXCEBMTMGRGB-ZIAGYGMSSA-N 1 3 310.442 -0.098 20 0 DBADHO CO[C@@H](CN)C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000884206134 807040591 /nfs/dbraw/zinc/04/05/91/807040591.db2.gz NIILPJSOUXHOBS-KFWWJZLASA-N 1 3 312.458 -0.023 20 0 DBADHO [NH3+]C[C@H]1CCCCN1C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000884560337 807056316 /nfs/dbraw/zinc/05/63/16/807056316.db2.gz VARYDNVMBJDUGB-HZSPNIEDSA-N 1 3 324.425 -0.694 20 0 DBADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C1=CCN(C)CC1 ZINC000884623867 807061300 /nfs/dbraw/zinc/06/13/00/807061300.db2.gz QOQXXENYXROBAW-RVSPLBMKSA-N 1 3 320.437 -0.179 20 0 DBADHO O=C(N[C@H]1CCCN2CCCC[C@H]12)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000884776637 807076494 /nfs/dbraw/zinc/07/64/94/807076494.db2.gz WXNCZCMGNVZVPW-XDQVBPFNSA-N 1 3 306.410 -0.308 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC001325962351 807123148 /nfs/dbraw/zinc/12/31/48/807123148.db2.gz YXOGFDVBINJNGW-BTTYYORXSA-N 1 3 310.442 -0.147 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC001327268167 807253645 /nfs/dbraw/zinc/25/36/45/807253645.db2.gz QWAFRFZLIDEKPQ-ZDUSSCGKSA-N 1 3 310.442 -0.193 20 0 DBADHO CN(CC1CN(C)C1)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC001327268167 807253650 /nfs/dbraw/zinc/25/36/50/807253650.db2.gz QWAFRFZLIDEKPQ-ZDUSSCGKSA-N 1 3 310.442 -0.193 20 0 DBADHO C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001327498097 807293231 /nfs/dbraw/zinc/29/32/31/807293231.db2.gz JAWDLZHTOWFPJK-WCQYABFASA-N 1 3 312.414 -0.839 20 0 DBADHO CCN1CCN(CCNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900686139 807320227 /nfs/dbraw/zinc/32/02/27/807320227.db2.gz JPXDJPQBAWEEPH-UHFFFAOYSA-N 1 3 322.457 -0.188 20 0 DBADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@@H]21 ZINC001036870088 815112680 /nfs/dbraw/zinc/11/26/80/815112680.db2.gz OODKFGXURQDRTB-KGLIPLIRSA-N 1 3 320.437 -0.249 20 0 DBADHO CC1(C)C[NH2+]CC[C@@H](NC[C@]23COCCN2C(=O)COC3)C1 ZINC000902406034 807372822 /nfs/dbraw/zinc/37/28/22/807372822.db2.gz NEAANJZLQYHDKN-CZUORRHYSA-N 1 3 311.426 -0.018 20 0 DBADHO CNC(=O)CN1CC[C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC[C@H]21 ZINC001036870089 815113062 /nfs/dbraw/zinc/11/30/62/815113062.db2.gz OODKFGXURQDRTB-UONOGXRCSA-N 1 3 320.437 -0.249 20 0 DBADHO CC[C@H](C(=O)N1CCC(O)(C[NH2+]CCOC)CC1)N(C)C ZINC001328207019 807392526 /nfs/dbraw/zinc/39/25/26/807392526.db2.gz HERHAJWWAMFGFQ-CYBMUJFWSA-N 1 3 301.431 -0.084 20 0 DBADHO NCc1cn([C@H]2CCCN(C[C@@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000903761304 807409967 /nfs/dbraw/zinc/40/99/67/807409967.db2.gz PJRNDPOAQKGATC-GJZGRUSLSA-N 1 3 308.430 -0.170 20 0 DBADHO COCC(COC)N1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000903770136 807411079 /nfs/dbraw/zinc/41/10/79/807411079.db2.gz SVWXFWNZXWYJEW-KGLIPLIRSA-N 1 3 313.398 -0.095 20 0 DBADHO COCCCNC(=O)[C@H](C)N1CCN(C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904315555 807424523 /nfs/dbraw/zinc/42/45/23/807424523.db2.gz CXMJCZJDDULEFZ-SOUVJXGZSA-N 1 3 312.458 -0.118 20 0 DBADHO O=S1(=O)NC[C@@H]2CN(CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCN21 ZINC000904434018 807424914 /nfs/dbraw/zinc/42/49/14/807424914.db2.gz SPFANBRWHVMMDT-PSEXLTFBSA-N 1 3 300.428 -0.649 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000905009074 807437638 /nfs/dbraw/zinc/43/76/38/807437638.db2.gz QKIHPHXJLBZKOK-XJKSGUPXSA-N 1 3 308.426 -0.120 20 0 DBADHO C[C@@H]1C[N@H+](CCCNC[C@@H](O)C[C@]2(O)CCOC2)CCCO1 ZINC000905230631 807450613 /nfs/dbraw/zinc/45/06/13/807450613.db2.gz GWIRDHFZLMLLHV-OWCLPIDISA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@@H]1C[N@@H+](CCCNC[C@@H](O)C[C@]2(O)CCOC2)CCCO1 ZINC000905230631 807450617 /nfs/dbraw/zinc/45/06/17/807450617.db2.gz GWIRDHFZLMLLHV-OWCLPIDISA-N 1 3 316.442 -0.021 20 0 DBADHO C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CN(C)CCN1C ZINC000906780811 807500045 /nfs/dbraw/zinc/50/00/45/807500045.db2.gz SCVGHWUTYSRPDA-DZGCQCFKSA-N 1 3 311.474 -0.770 20 0 DBADHO C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@H]1CN(C)CCN1C ZINC000906780811 807500049 /nfs/dbraw/zinc/50/00/49/807500049.db2.gz SCVGHWUTYSRPDA-DZGCQCFKSA-N 1 3 311.474 -0.770 20 0 DBADHO C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CN(C)CCN1C ZINC000906780817 807500297 /nfs/dbraw/zinc/50/02/97/807500297.db2.gz SCVGHWUTYSRPDA-ZFWWWQNUSA-N 1 3 311.474 -0.770 20 0 DBADHO C[C@H](NC(=O)C1CN(C)CC[N@@H+](C)C1)[C@@H]1CN(C)CCN1C ZINC000906780817 807500302 /nfs/dbraw/zinc/50/03/02/807500302.db2.gz SCVGHWUTYSRPDA-ZFWWWQNUSA-N 1 3 311.474 -0.770 20 0 DBADHO CCN1CCC[C@H]1CNC(=[NH2+])NCc1nnc2n1CCOC2 ZINC001329225518 807540741 /nfs/dbraw/zinc/54/07/41/807540741.db2.gz IVVZTXPZCSHZRG-NSHDSACASA-N 1 3 307.402 -0.093 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)N[C@H](CO)CN2CCCC2)cn1 ZINC000908203743 807579668 /nfs/dbraw/zinc/57/96/68/807579668.db2.gz NYRDZMKUJAZTQJ-AWEZNQCLSA-N 1 3 309.414 -0.369 20 0 DBADHO O=C(NC1CCN([C@H]2CCOC2)CC1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC001329838960 807628239 /nfs/dbraw/zinc/62/82/39/807628239.db2.gz XCKKODDCJHWTLF-KBPBESRZSA-N 1 3 324.425 -0.776 20 0 DBADHO CN1CCN(CCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC001329936033 807643617 /nfs/dbraw/zinc/64/36/17/807643617.db2.gz BMSAPUAZQDBLCA-ZDUSSCGKSA-N 1 3 320.441 -0.146 20 0 DBADHO O=C1CNCCN1[C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923332066 807660357 /nfs/dbraw/zinc/66/03/57/807660357.db2.gz GQHZZUXNOVAWCM-ZIAGYGMSSA-N 1 3 308.426 -0.739 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923324460 807660424 /nfs/dbraw/zinc/66/04/24/807660424.db2.gz VAKHHUGZJXLPFQ-OAHLLOKOSA-N 1 3 322.453 -0.395 20 0 DBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C[C@@H](O)Cn1cccn1 ZINC000923346337 807661751 /nfs/dbraw/zinc/66/17/51/807661751.db2.gz RMRLSLFYWMKOMW-ZIAGYGMSSA-N 1 3 309.414 -0.437 20 0 DBADHO CCOCC[C@@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923412754 807665882 /nfs/dbraw/zinc/66/58/82/807665882.db2.gz AQUYWGZAKNYWKY-DGAVXFQQSA-N 1 3 313.398 -0.359 20 0 DBADHO CN1CCN(C[C@@H](O)C[NH2+][C@H]2CCN(CC(C)(C)O)C2)CC1 ZINC001330082139 807670711 /nfs/dbraw/zinc/67/07/11/807670711.db2.gz MVPMJNNFCMTPFJ-GJZGRUSLSA-N 1 3 314.474 -0.971 20 0 DBADHO CN(CCCNC(=O)CN1CC[C@@H](CC[NH3+])C1)S(C)(=O)=O ZINC000923492485 807674347 /nfs/dbraw/zinc/67/43/47/807674347.db2.gz PSFFKTOPGMQSES-GFCCVEGCSA-N 1 3 320.459 -0.945 20 0 DBADHO [NH3+][C@@H]1CCO[C@H](C2CCN(S(=O)(=O)C3CNC3)CC2)C1 ZINC000923646471 807695256 /nfs/dbraw/zinc/69/52/56/807695256.db2.gz KIYIYEYCNWFKGZ-YPMHNXCESA-N 1 3 303.428 -0.494 20 0 DBADHO [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)N1CCNCC1 ZINC000923651421 807696083 /nfs/dbraw/zinc/69/60/83/807696083.db2.gz DGBUNACSMDCROD-CQSZACIVSA-N 1 3 310.423 -0.306 20 0 DBADHO O=S(=O)(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCNCC1 ZINC000923656058 807697444 /nfs/dbraw/zinc/69/74/44/807697444.db2.gz WMWSSZXYHHCQNK-HUUCEWRRSA-N 1 3 324.450 -0.128 20 0 DBADHO O=S(=O)(C1CNC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000923661900 807698135 /nfs/dbraw/zinc/69/81/35/807698135.db2.gz KGSQFALWHLTGCL-GFCCVEGCSA-N 1 3 303.428 -0.622 20 0 DBADHO O=S(=O)(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCNCC1 ZINC000923660433 807698315 /nfs/dbraw/zinc/69/83/15/807698315.db2.gz ZTGUEIOUACMFQR-AWEZNQCLSA-N 1 3 316.471 -0.152 20 0 DBADHO O=S(=O)(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)N1CCNCC1 ZINC000923660433 807698320 /nfs/dbraw/zinc/69/83/20/807698320.db2.gz ZTGUEIOUACMFQR-AWEZNQCLSA-N 1 3 316.471 -0.152 20 0 DBADHO [NH3+][C@H](CCNS(=O)(=O)N1CCNCC1)Cc1ccccc1 ZINC000923664503 807699457 /nfs/dbraw/zinc/69/94/57/807699457.db2.gz BIPPQZHYOLABFN-CQSZACIVSA-N 1 3 312.439 -0.314 20 0 DBADHO [NH3+]CCCN(CC(F)(F)F)S(=O)(=O)N1CCNCC1 ZINC000923670486 807700225 /nfs/dbraw/zinc/70/02/25/807700225.db2.gz FAUOIGHYAITEQV-UHFFFAOYSA-N 1 3 304.338 -0.651 20 0 DBADHO C[NH+](C)CCOCCN1C(=O)N[C@H](CN2CCCCC2)C1=O ZINC000924732230 807721918 /nfs/dbraw/zinc/72/19/18/807721918.db2.gz XMJQSOKOROPFHN-CYBMUJFWSA-N 1 3 312.414 -0.029 20 0 DBADHO CN(C)CCn1nccc1NC(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC000926130861 807755355 /nfs/dbraw/zinc/75/53/55/807755355.db2.gz NBEQJJMBETUGDL-AWEZNQCLSA-N 1 3 310.402 -0.238 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCN3CCC[C@H]3C2)CC[C@@H]1C[NH3+] ZINC000926333344 807760736 /nfs/dbraw/zinc/76/07/36/807760736.db2.gz IZGRYIYLEVBGAS-MCIONIFRSA-N 1 3 308.426 -0.264 20 0 DBADHO CCO[C@H](CNC(=O)N1CCO[C@@H](CN(C)C)C1)C[NH+](C)C ZINC000926833730 807777793 /nfs/dbraw/zinc/77/77/93/807777793.db2.gz CEYHWWUMQVPHOJ-KGLIPLIRSA-N 1 3 316.446 -0.075 20 0 DBADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928577666 807815558 /nfs/dbraw/zinc/81/55/58/807815558.db2.gz JELTUUNTDKVKJR-XJFOESAGSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928577666 807815568 /nfs/dbraw/zinc/81/55/68/807815568.db2.gz JELTUUNTDKVKJR-XJFOESAGSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928577666 807815577 /nfs/dbraw/zinc/81/55/77/807815577.db2.gz JELTUUNTDKVKJR-XJFOESAGSA-N 1 3 308.426 -0.347 20 0 DBADHO CN1CC[C@H]1CNC(=O)[C@@H]1CC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928577666 807815584 /nfs/dbraw/zinc/81/55/84/807815584.db2.gz JELTUUNTDKVKJR-XJFOESAGSA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)CO1 ZINC001332298094 807896347 /nfs/dbraw/zinc/89/63/47/807896347.db2.gz WVJVGJZHEFMBGS-OLZOCXBDSA-N 1 3 314.430 -0.768 20 0 DBADHO C[C@H]1COC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000932076530 807955039 /nfs/dbraw/zinc/95/50/39/807955039.db2.gz AGNXQCXOXRHZSU-QWHCGFSZSA-N 1 3 314.430 -0.911 20 0 DBADHO C[C@H]([NH3+])CCNC(=O)C(=O)NC1CCN([C@H]2CCOC2)CC1 ZINC001333177599 808025390 /nfs/dbraw/zinc/02/53/90/808025390.db2.gz FJJVLMQJGQJFDH-AAEUAGOBSA-N 1 3 312.414 -0.791 20 0 DBADHO [NH3+][C@H]1C[C@H](CNC(=O)C(=O)N2CC[C@H](N3CCCCC3)C2)C1 ZINC001333448807 808063085 /nfs/dbraw/zinc/06/30/85/808063085.db2.gz SFKVATYYSPFROE-IHRRRGAJSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(CCNC(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC001333942470 808116117 /nfs/dbraw/zinc/11/61/17/808116117.db2.gz ZSNQKTDUCDAWPD-CLLJXQQHSA-N 1 3 308.426 -0.156 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])C[C@@H]21 ZINC001334787871 808201374 /nfs/dbraw/zinc/20/13/74/808201374.db2.gz KZBOKASDFFSJAQ-VWPFQQQWSA-N 1 3 320.437 -0.121 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])C[C@@H]21 ZINC001334787872 808201601 /nfs/dbraw/zinc/20/16/01/808201601.db2.gz KZBOKASDFFSJAQ-WVZRYYJFSA-N 1 3 320.437 -0.121 20 0 DBADHO C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001335254368 808266888 /nfs/dbraw/zinc/26/68/88/808266888.db2.gz JAMCXQXRMVXHSY-DGCLKSJQSA-N 1 3 312.414 -0.839 20 0 DBADHO CCN1CCN(CC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC001335383747 808283816 /nfs/dbraw/zinc/28/38/16/808283816.db2.gz HKCUYGJCTRPUCX-CABCVRRESA-N 1 3 301.431 -0.884 20 0 DBADHO COCC[NH2+]CCNC(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001335550949 808296635 /nfs/dbraw/zinc/29/66/35/808296635.db2.gz GJAOTVORUCRVDJ-UONOGXRCSA-N 1 3 314.430 -0.537 20 0 DBADHO NCC(F)(F)CNC(=O)NCCCCC[NH+]1CCNCC1 ZINC001335556074 808297411 /nfs/dbraw/zinc/29/74/11/808297411.db2.gz UWLWSWVPVHKRQK-UHFFFAOYSA-N 1 3 307.389 -0.045 20 0 DBADHO CCN1CCN(CCC[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC001335896711 808329811 /nfs/dbraw/zinc/32/98/11/808329811.db2.gz HVVFHPPMACNRCN-OAHLLOKOSA-N 1 3 315.458 -0.494 20 0 DBADHO C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C1=CCN(C)CC1 ZINC001336644685 808404884 /nfs/dbraw/zinc/40/48/84/808404884.db2.gz IPBFWFIBOQYOBS-BZPMIXESSA-N 1 3 308.426 -0.003 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCC1([NH3+])CC1 ZINC001336785424 808416055 /nfs/dbraw/zinc/41/60/55/808416055.db2.gz ZQPUKCJVMAZPIE-GFCCVEGCSA-N 1 3 311.430 -0.280 20 0 DBADHO CN[C@H](C(=O)NCCCCC[NH+]1CCNCC1)c1cnn(C)c1 ZINC001341069753 808668265 /nfs/dbraw/zinc/66/82/65/808668265.db2.gz DTJRCYLPVXYUEM-HNNXBMFYSA-N 1 3 322.457 -0.128 20 0 DBADHO CN1CCN(C)CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC001341512090 808687520 /nfs/dbraw/zinc/68/75/20/808687520.db2.gz PQJFYDKKZGTZRR-ZDUSSCGKSA-N 1 3 300.472 -0.213 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC000951233572 808783434 /nfs/dbraw/zinc/78/34/34/808783434.db2.gz KBLVAIGCOBXMJF-ZIAGYGMSSA-N 1 3 320.437 -0.107 20 0 DBADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000954318520 809213238 /nfs/dbraw/zinc/21/32/38/809213238.db2.gz VPQMTMGUOATFBM-TZMCWYRMSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@H](C(=O)N1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000954318520 809213244 /nfs/dbraw/zinc/21/32/44/809213244.db2.gz VPQMTMGUOATFBM-TZMCWYRMSA-N 1 3 310.442 -0.053 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000954324514 809216513 /nfs/dbraw/zinc/21/65/13/809216513.db2.gz OXJIBPHHVCVIEG-CYBMUJFWSA-N 1 3 308.426 -0.297 20 0 DBADHO CN(C(=O)CN1CCCC1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000954324514 809216518 /nfs/dbraw/zinc/21/65/18/809216518.db2.gz OXJIBPHHVCVIEG-CYBMUJFWSA-N 1 3 308.426 -0.297 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325012 809217891 /nfs/dbraw/zinc/21/78/91/809217891.db2.gz VCPDLQRZZWWYCU-HIFRSBDPSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC(N(C)C(=O)CN2CCCC2)C1 ZINC000954325012 809217895 /nfs/dbraw/zinc/21/78/95/809217895.db2.gz VCPDLQRZZWWYCU-HIFRSBDPSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC000955339982 809393089 /nfs/dbraw/zinc/39/30/89/809393089.db2.gz GZBBHFNJODKUHS-ZIAGYGMSSA-N 1 3 322.453 -0.051 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC000955339982 809393099 /nfs/dbraw/zinc/39/30/99/809393099.db2.gz GZBBHFNJODKUHS-ZIAGYGMSSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000955444029 809418137 /nfs/dbraw/zinc/41/81/37/809418137.db2.gz GCXQQVVBXSDRQL-LLVKDONJSA-N 1 3 305.382 -0.427 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)C1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000955444029 809418141 /nfs/dbraw/zinc/41/81/41/809418141.db2.gz GCXQQVVBXSDRQL-LLVKDONJSA-N 1 3 305.382 -0.427 20 0 DBADHO O=C(NC[C@H]1CN(CCO)C[C@@H]1O)C12CCC[NH+](CCC1)C2 ZINC000958174456 809794491 /nfs/dbraw/zinc/79/44/91/809794491.db2.gz DLUOJYVVTXALCZ-KBPBESRZSA-N 1 3 311.426 -0.736 20 0 DBADHO COCCN1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214455 809814495 /nfs/dbraw/zinc/81/44/95/809814495.db2.gz HXFVMELPTORHFW-KGLIPLIRSA-N 1 3 311.426 -0.330 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@H+](CCO)C[C@H]2O)c1 ZINC000958716667 810010752 /nfs/dbraw/zinc/01/07/52/810010752.db2.gz NRLAZGHJVATRGV-JKSUJKDBSA-N 1 3 321.421 -0.237 20 0 DBADHO CN(C)Cc1cccc(C(=O)NC[C@H]2C[N@@H+](CCO)C[C@H]2O)c1 ZINC000958716667 810010753 /nfs/dbraw/zinc/01/07/53/810010753.db2.gz NRLAZGHJVATRGV-JKSUJKDBSA-N 1 3 321.421 -0.237 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000959835895 810126828 /nfs/dbraw/zinc/12/68/28/810126828.db2.gz GCKYPTZJEPRSIF-YRGRVCCFSA-N 1 3 319.409 -0.133 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000959835895 810126833 /nfs/dbraw/zinc/12/68/33/810126833.db2.gz GCKYPTZJEPRSIF-YRGRVCCFSA-N 1 3 319.409 -0.133 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCn3cncn3)C[C@H]21 ZINC000961775696 810367405 /nfs/dbraw/zinc/36/74/05/810367405.db2.gz VLRUSYSMWZRNRT-NYTXWWLZSA-N 1 3 318.425 -0.191 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCn3cncn3)C[C@H]21 ZINC000961775696 810367408 /nfs/dbraw/zinc/36/74/08/810367408.db2.gz VLRUSYSMWZRNRT-NYTXWWLZSA-N 1 3 318.425 -0.191 20 0 DBADHO C[NH+]1CCC(CC(=O)N[C@@H]2[C@H]3CN([C@H]4CCNC4=O)C[C@H]32)CC1 ZINC000961959184 810411044 /nfs/dbraw/zinc/41/10/44/810411044.db2.gz SCHJNCJRBJMBKG-KNCOVGOOSA-N 1 3 320.437 -0.347 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000965063151 810824918 /nfs/dbraw/zinc/82/49/18/810824918.db2.gz KNFLWHGGKKHTLG-MPXNVAGNSA-N 1 3 308.426 -0.027 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+][C@@H]3CCN(C)C3=O)C2)CCC1 ZINC000968904515 811511851 /nfs/dbraw/zinc/51/18/51/811511851.db2.gz SOLQYDQJBGJKEG-CHWSQXEVSA-N 1 3 308.426 -0.108 20 0 DBADHO CN(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CC1 ZINC000968912362 811513786 /nfs/dbraw/zinc/51/37/86/811513786.db2.gz FOKVDQZERXRQJS-ZIAGYGMSSA-N 1 3 323.441 -0.458 20 0 DBADHO O=C(N1CC[C@@H](N[C@H]2CCNC2=O)C1)C12CCC[NH+](CCC1)C2 ZINC000969066358 811541141 /nfs/dbraw/zinc/54/11/41/811541141.db2.gz TYDXYBHZBAKCKZ-KGLIPLIRSA-N 1 3 320.437 -0.059 20 0 DBADHO CC[C@H](C(=O)N1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)N(C)C ZINC000969074701 811542677 /nfs/dbraw/zinc/54/26/77/811542677.db2.gz PEGWHRLKTOHPQU-GRYCIOLGSA-N 1 3 310.398 -0.678 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001004447709 811981011 /nfs/dbraw/zinc/98/10/11/811981011.db2.gz GMMDZNCIJSWWSO-HIFRSBDPSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001004447709 811981015 /nfs/dbraw/zinc/98/10/15/811981015.db2.gz GMMDZNCIJSWWSO-HIFRSBDPSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001004447726 811981247 /nfs/dbraw/zinc/98/12/47/811981247.db2.gz GMMDZNCIJSWWSO-ZFWWWQNUSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)CN2CCCC2)C1 ZINC001004447726 811981251 /nfs/dbraw/zinc/98/12/51/811981251.db2.gz GMMDZNCIJSWWSO-ZFWWWQNUSA-N 1 3 322.453 -0.146 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001004451043 811981830 /nfs/dbraw/zinc/98/18/30/811981830.db2.gz YPYIXLUIALFAIZ-FZMZJTMJSA-N 1 3 319.409 -0.276 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NCC1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001004451043 811981833 /nfs/dbraw/zinc/98/18/33/811981833.db2.gz YPYIXLUIALFAIZ-FZMZJTMJSA-N 1 3 319.409 -0.276 20 0 DBADHO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC001006128605 812162181 /nfs/dbraw/zinc/16/21/81/812162181.db2.gz RPMMANLLBFMURA-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CN(C(=O)CN2CCCC2)C1 ZINC001006128605 812162189 /nfs/dbraw/zinc/16/21/89/812162189.db2.gz RPMMANLLBFMURA-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@H](O)CN1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001014466138 813251406 /nfs/dbraw/zinc/25/14/06/813251406.db2.gz BIUATMMXGMCQCO-QWHCGFSZSA-N 1 3 309.414 -0.370 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@H]([NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001018963264 814031542 /nfs/dbraw/zinc/03/15/42/814031542.db2.gz GZNKHADOYVDEGV-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1)C1CCC1 ZINC001018972676 814033917 /nfs/dbraw/zinc/03/39/17/814033917.db2.gz JAYLWZBDORZOLA-AAEUAGOBSA-N 1 3 322.409 -0.534 20 0 DBADHO CN(CC(=O)N1CC[C@H]([NH2+]CCN2CCNC2=O)C1)C1CCC1 ZINC001018972974 814035197 /nfs/dbraw/zinc/03/51/97/814035197.db2.gz ZAJYGYPKPJJMDX-ZDUSSCGKSA-N 1 3 323.441 -0.314 20 0 DBADHO O=C(N1CC[C@H](N[C@H]2CCNC2=O)C1)C12CCC[NH+]1CCC2 ZINC001019087786 814067956 /nfs/dbraw/zinc/06/79/56/814067956.db2.gz CDFGROJSEIVXFG-STQMWFEESA-N 1 3 306.410 -0.306 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@H](N[C@H]3CCC(=O)NC3=O)C2)CC1 ZINC001019324801 814126948 /nfs/dbraw/zinc/12/69/48/814126948.db2.gz CBOCXJPHCVLDII-STQMWFEESA-N 1 3 322.409 -0.676 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)C1 ZINC001032186994 814401935 /nfs/dbraw/zinc/40/19/35/814401935.db2.gz CKBUJWKOVOCVTM-GJZGRUSLSA-N 1 3 321.425 -0.756 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCC2CN(C[C@H](O)Cn3cccn3)C2)C1 ZINC001032186994 814401940 /nfs/dbraw/zinc/40/19/40/814401940.db2.gz CKBUJWKOVOCVTM-GJZGRUSLSA-N 1 3 321.425 -0.756 20 0 DBADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033278811 814463646 /nfs/dbraw/zinc/46/36/46/814463646.db2.gz ROSGRWWKEYSGPQ-DGNOSDGRSA-N 1 3 323.437 -0.235 20 0 DBADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)[C@@H]1CC[N@@H+](CCCO)C1 ZINC001033278811 814463653 /nfs/dbraw/zinc/46/36/53/814463653.db2.gz ROSGRWWKEYSGPQ-DGNOSDGRSA-N 1 3 323.437 -0.235 20 0 DBADHO NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC001034653208 814709877 /nfs/dbraw/zinc/70/98/77/814709877.db2.gz FRSOPBRDOJFNSH-XDQVBPFNSA-N 1 3 324.425 -0.648 20 0 DBADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@H]2CCNC2=O)CCC1 ZINC001034957463 814755526 /nfs/dbraw/zinc/75/55/26/814755526.db2.gz WEMDMXOKBULZMD-OLZOCXBDSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCCNC1=O ZINC001035013953 814844528 /nfs/dbraw/zinc/84/45/28/814844528.db2.gz QNKBNXHLOPGGNK-HZSPNIEDSA-N 1 3 308.426 -0.060 20 0 DBADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001035126356 814860228 /nfs/dbraw/zinc/86/02/28/814860228.db2.gz ZFUYIROVSOTDCQ-CHWSQXEVSA-N 1 3 306.414 -0.153 20 0 DBADHO Cn1nncc1CNC[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001035126356 814860232 /nfs/dbraw/zinc/86/02/32/814860232.db2.gz ZFUYIROVSOTDCQ-CHWSQXEVSA-N 1 3 306.414 -0.153 20 0 DBADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1)N(C)C ZINC001046039402 816735260 /nfs/dbraw/zinc/73/52/60/816735260.db2.gz XSWCDLOPSDVUET-HUUCEWRRSA-N 1 3 312.458 -0.463 20 0 DBADHO CC[C@H](C(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1)N(C)C ZINC001046039402 816735266 /nfs/dbraw/zinc/73/52/66/816735266.db2.gz XSWCDLOPSDVUET-HUUCEWRRSA-N 1 3 312.458 -0.463 20 0 DBADHO C[C@@H](O)C[N@@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046065855 816747067 /nfs/dbraw/zinc/74/70/67/816747067.db2.gz DNYSVVZYZZONCW-UKRRQHHQSA-N 1 3 321.425 -0.449 20 0 DBADHO C[C@@H](O)C[N@H+]1CC[C@@H](N2CCN(C(=O)Cc3c[nH]cn3)CC2)C1 ZINC001046065855 816747071 /nfs/dbraw/zinc/74/70/71/816747071.db2.gz DNYSVVZYZZONCW-UKRRQHHQSA-N 1 3 321.425 -0.449 20 0 DBADHO C[C@H](O)C[N@@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081912 816752671 /nfs/dbraw/zinc/75/26/71/816752671.db2.gz LSKMVYOUQPHOOT-HOTGVXAUSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@H](O)C[N@H+]1CC[C@H](N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC001046081912 816752678 /nfs/dbraw/zinc/75/26/78/816752678.db2.gz LSKMVYOUQPHOOT-HOTGVXAUSA-N 1 3 324.469 -0.319 20 0 DBADHO C[NH+](C)CCn1cc(C(=O)N[C@@]2(C)CCN(CCO)C2)cn1 ZINC001046694850 816922955 /nfs/dbraw/zinc/92/29/55/816922955.db2.gz LBCPRKVEMKPFLI-HNNXBMFYSA-N 1 3 309.414 -0.369 20 0 DBADHO CC(C)N1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047383951 817101006 /nfs/dbraw/zinc/10/10/06/817101006.db2.gz MBXXYDZBHYPPPP-GJZGRUSLSA-N 1 3 323.441 -0.030 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048723926 817414801 /nfs/dbraw/zinc/41/48/01/817414801.db2.gz RDJYSHIYRVQWBJ-QLFBSQMISA-N 1 3 318.425 -0.238 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2C1 ZINC001048723926 817414805 /nfs/dbraw/zinc/41/48/05/817414805.db2.gz RDJYSHIYRVQWBJ-QLFBSQMISA-N 1 3 318.425 -0.238 20 0 DBADHO CC[C@H](C(N)=O)[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C1 ZINC001048723725 817415273 /nfs/dbraw/zinc/41/52/73/817415273.db2.gz NRDNWYPEUZIDOU-XJFOESAGSA-N 1 3 308.426 -0.265 20 0 DBADHO CC[C@H](C(N)=O)[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCN3C)C[C@H]2C1 ZINC001048723725 817415279 /nfs/dbraw/zinc/41/52/79/817415279.db2.gz NRDNWYPEUZIDOU-XJFOESAGSA-N 1 3 308.426 -0.265 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048828970 817454178 /nfs/dbraw/zinc/45/41/78/817454178.db2.gz FESIVHMDFBRWMX-QMIVOQANSA-N 1 3 322.453 -0.019 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)C[C@@H]2C1 ZINC001048828970 817454183 /nfs/dbraw/zinc/45/41/83/817454183.db2.gz FESIVHMDFBRWMX-QMIVOQANSA-N 1 3 322.453 -0.019 20 0 DBADHO COCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829182 817454404 /nfs/dbraw/zinc/45/44/04/817454404.db2.gz KDSRINPESHIFFT-XUWVNRHRSA-N 1 3 323.437 -0.114 20 0 DBADHO COCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CN4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048829182 817454408 /nfs/dbraw/zinc/45/44/08/817454408.db2.gz KDSRINPESHIFFT-XUWVNRHRSA-N 1 3 323.437 -0.114 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048943421 817487415 /nfs/dbraw/zinc/48/74/15/817487415.db2.gz CJLURSLZFICFKJ-WCCAFZKYSA-N 1 3 321.421 -0.768 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048943421 817487419 /nfs/dbraw/zinc/48/74/19/817487419.db2.gz CJLURSLZFICFKJ-WCCAFZKYSA-N 1 3 321.421 -0.768 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001049025852 817513420 /nfs/dbraw/zinc/51/34/20/817513420.db2.gz YWMXMWDECFVJKL-AEGPPILISA-N 1 3 322.453 -0.147 20 0 DBADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001049038470 817515911 /nfs/dbraw/zinc/51/59/11/817515911.db2.gz IFSQPLCWIAFXGI-LJISPDSOSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@H]2C1)N(C)C ZINC001049038470 817515916 /nfs/dbraw/zinc/51/59/16/817515916.db2.gz IFSQPLCWIAFXGI-LJISPDSOSA-N 1 3 322.453 -0.149 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049058367 817519471 /nfs/dbraw/zinc/51/94/71/817519471.db2.gz XJYFIZUGCJEXOF-BYNSBNAKSA-N 1 3 320.437 -0.251 20 0 DBADHO C[C@H]1CCCN1CC(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@@H]2C1 ZINC001049058367 817519478 /nfs/dbraw/zinc/51/94/78/817519478.db2.gz XJYFIZUGCJEXOF-BYNSBNAKSA-N 1 3 320.437 -0.251 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049066205 817522229 /nfs/dbraw/zinc/52/22/29/817522229.db2.gz FASFEFCNPHRWMC-LJISPDSOSA-N 1 3 322.453 -0.053 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@@H]2C1)N(C)C ZINC001049066205 817522236 /nfs/dbraw/zinc/52/22/36/817522236.db2.gz FASFEFCNPHRWMC-LJISPDSOSA-N 1 3 322.453 -0.053 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049214634 817561848 /nfs/dbraw/zinc/56/18/48/817561848.db2.gz QGYKRXCPMHXOQK-XDQVBPFNSA-N 1 3 308.426 -0.537 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049214634 817561857 /nfs/dbraw/zinc/56/18/57/817561857.db2.gz QGYKRXCPMHXOQK-XDQVBPFNSA-N 1 3 308.426 -0.537 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@@H]2C1 ZINC001049215313 817564477 /nfs/dbraw/zinc/56/44/77/817564477.db2.gz SDXWBCCGXYTANZ-YIYPIFLZSA-N 1 3 308.426 -0.408 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@@H]2C1 ZINC001049215313 817564480 /nfs/dbraw/zinc/56/44/80/817564480.db2.gz SDXWBCCGXYTANZ-YIYPIFLZSA-N 1 3 308.426 -0.408 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001054296939 818099162 /nfs/dbraw/zinc/09/91/62/818099162.db2.gz QQEDTUXHYOUDLW-FRRDWIJNSA-N 1 3 322.409 -0.534 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@H]1COCCN1C(=O)Cc1c[nH]cn1 ZINC001061862234 819426144 /nfs/dbraw/zinc/42/61/44/819426144.db2.gz RDZAVJRLIBNFGW-ZDUSSCGKSA-N 1 3 323.397 -0.753 20 0 DBADHO CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1)N(C)C ZINC001070213620 820425929 /nfs/dbraw/zinc/42/59/29/820425929.db2.gz RXGHVIPUWBBCPC-RDBSUJKOSA-N 1 3 324.429 -0.802 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070275637 820440092 /nfs/dbraw/zinc/44/00/92/820440092.db2.gz XIYQJOYVWKXUSZ-MCIONIFRSA-N 1 3 322.413 -0.904 20 0 DBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@]2(CCN(CCO)C2)O1 ZINC001071228290 820655722 /nfs/dbraw/zinc/65/57/22/820655722.db2.gz RZWPAEFSWJDTSA-PBHICJAKSA-N 1 3 323.437 -0.234 20 0 DBADHO C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@]2(CCN(CCO)C2)O1 ZINC001071228293 820657244 /nfs/dbraw/zinc/65/72/44/820657244.db2.gz RZWPAEFSWJDTSA-YOEHRIQHSA-N 1 3 323.437 -0.234 20 0 DBADHO C[C@H](O)CN1CCCO[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755583 821229674 /nfs/dbraw/zinc/22/96/74/821229674.db2.gz DAWXHEWXWGLVKI-ZFWWWQNUSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](O)CN1CCCO[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001073755580 821230052 /nfs/dbraw/zinc/23/00/52/821230052.db2.gz DAWXHEWXWGLVKI-DZGCQCFKSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)[C@@H]1CCCN1C ZINC001074561778 821386445 /nfs/dbraw/zinc/38/64/45/821386445.db2.gz KWXLQRXCKSRWPF-IHRRRGAJSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)[C@H]1CCCN1C ZINC001074561779 821386534 /nfs/dbraw/zinc/38/65/34/821386534.db2.gz KWXLQRXCKSRWPF-MELADBBJSA-N 1 3 308.426 -0.108 20 0 DBADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCNC2=O)CCN1C(=O)CN(C)C1CCC1 ZINC001074687767 821414509 /nfs/dbraw/zinc/41/45/09/821414509.db2.gz IQXDVAAESVFPRC-FPMFFAJLSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@H]1[C@@H]([NH2+][C@@H]2CCCNC2=O)CCN1C(=O)[C@H]1CCCN1C ZINC001074792900 821438093 /nfs/dbraw/zinc/43/80/93/821438093.db2.gz CVYUYUIMMZYBAL-IGQOVBAYSA-N 1 3 308.426 -0.062 20 0 DBADHO CC(C)CN1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014373 821967365 /nfs/dbraw/zinc/96/73/65/821967365.db2.gz SOTSAJZFNDXORF-HUUCEWRRSA-N 1 3 323.441 -0.124 20 0 DBADHO C[C@@H](N)C(=O)N(CCCN1CCOCC1)CC1CC[NH2+]CC1 ZINC001161196998 832989712 /nfs/dbraw/zinc/98/97/12/832989712.db2.gz WASHHBMKIBTCRJ-CQSZACIVSA-N 1 3 312.458 -0.116 20 0 DBADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077417873 822106063 /nfs/dbraw/zinc/10/60/63/822106063.db2.gz CNBCEBIEQRHLMG-NTTUHNMPSA-N 1 3 309.410 -0.579 20 0 DBADHO CCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077417873 822106068 /nfs/dbraw/zinc/10/60/68/822106068.db2.gz CNBCEBIEQRHLMG-NTTUHNMPSA-N 1 3 309.410 -0.579 20 0 DBADHO O=C(N[C@@H]1CN(CC[C@@H]2CCCO2)C[C@H]1O)C12CC[NH+](CC1)C2 ZINC001078013136 822318126 /nfs/dbraw/zinc/31/81/26/822318126.db2.gz SWCIBLCKQSFRLB-RRFJBIMHSA-N 1 3 323.437 -0.187 20 0 DBADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@H]1O ZINC001078017864 822321101 /nfs/dbraw/zinc/32/11/01/822321101.db2.gz ATDDTGJHWILAHL-TZMCWYRMSA-N 1 3 308.382 -0.695 20 0 DBADHO CN(C)c1ccncc1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@H]1O ZINC001078017864 822321111 /nfs/dbraw/zinc/32/11/11/822321111.db2.gz ATDDTGJHWILAHL-TZMCWYRMSA-N 1 3 308.382 -0.695 20 0 DBADHO CCC[NH+]1C[C@@H]2CN(C(=O)[C@@H](N)CC[S@](C)=O)C[C@H]2C1 ZINC001161176298 832990106 /nfs/dbraw/zinc/99/01/06/832990106.db2.gz SMGQDLLYRVEOLE-ZUWLOFHESA-N 1 3 301.456 -0.118 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)N3CCC3)C2)C1 ZINC001082741814 824462589 /nfs/dbraw/zinc/46/25/89/824462589.db2.gz DPWQPQCVJYHEFM-RBSFLKMASA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082919790 824470535 /nfs/dbraw/zinc/47/05/35/824470535.db2.gz FUOVJZLGUNEGFU-RBSFLKMASA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCCC1 ZINC001082919790 824470538 /nfs/dbraw/zinc/47/05/38/824470538.db2.gz FUOVJZLGUNEGFU-RBSFLKMASA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H](O)CN1C[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)[C@@H](O)C1 ZINC001083607420 824696821 /nfs/dbraw/zinc/69/68/21/824696821.db2.gz XCYPIIHWZRCIRF-HONMWMINSA-N 1 3 304.350 -0.510 20 0 DBADHO CC(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654677 824713871 /nfs/dbraw/zinc/71/38/71/824713871.db2.gz AGCVQXASNBVYCE-WCCAFZKYSA-N 1 3 323.437 -0.333 20 0 DBADHO CC(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CN3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654677 824713876 /nfs/dbraw/zinc/71/38/76/824713876.db2.gz AGCVQXASNBVYCE-WCCAFZKYSA-N 1 3 323.437 -0.333 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414138 828690928 /nfs/dbraw/zinc/69/09/28/828690928.db2.gz NGGYWMGKZMLQNT-TTZDDIAXSA-N 1 3 311.426 -0.476 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)C1CCC1 ZINC001114414138 828690934 /nfs/dbraw/zinc/69/09/34/828690934.db2.gz NGGYWMGKZMLQNT-TTZDDIAXSA-N 1 3 311.426 -0.476 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)C1CCC1 ZINC001114412503 828689917 /nfs/dbraw/zinc/68/99/17/828689917.db2.gz ZDVDJZUWHLWOAL-SFDCQRBFSA-N 1 3 306.410 -0.594 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)C1CCC1 ZINC001114412503 828689921 /nfs/dbraw/zinc/68/99/21/828689921.db2.gz ZDVDJZUWHLWOAL-SFDCQRBFSA-N 1 3 306.410 -0.594 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2CN(CCn3cncn3)C[C@H]21)[NH+](C)C ZINC001114443138 828695858 /nfs/dbraw/zinc/69/58/58/828695858.db2.gz WECNABMOHRTYLR-YJNKXOJESA-N 1 3 320.441 -0.089 20 0 DBADHO O=C(N[C@@H]1CN(C[C@@H]2CCOC2)C[C@@H]1O)C12CC[NH+](CC1)C2 ZINC001083959163 824841995 /nfs/dbraw/zinc/84/19/95/824841995.db2.gz JJCUKYIFMVHRHI-MJBXVCDLSA-N 1 3 309.410 -0.720 20 0 DBADHO CO[C@H](C)C[N@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001083961986 824843346 /nfs/dbraw/zinc/84/33/46/824843346.db2.gz RCIUDMBZAQMFTO-KYOSRNDESA-N 1 3 322.409 -0.043 20 0 DBADHO CO[C@H](C)C[N@@H+]1C[C@@H](NC(=O)c2cnccc2N(C)C)[C@@H](O)C1 ZINC001083961986 824843354 /nfs/dbraw/zinc/84/33/54/824843354.db2.gz RCIUDMBZAQMFTO-KYOSRNDESA-N 1 3 322.409 -0.043 20 0 DBADHO O=C(N[C@@H]1CCCC[C@H]1[NH2+]CCO)[C@H]1CN2CC3CC2(C3)CO1 ZINC001085279519 825007504 /nfs/dbraw/zinc/00/75/04/825007504.db2.gz PAIIMSDQBUYBRR-VXSWHIBVSA-N 1 3 323.437 -0.141 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CN(CCN3CCNC3=O)C[C@H]21 ZINC001114750612 828736169 /nfs/dbraw/zinc/73/61/69/828736169.db2.gz LBEOIVZFYHEQTD-NHAGDIPZSA-N 1 3 323.441 -0.600 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114832806 828748997 /nfs/dbraw/zinc/74/89/97/828748997.db2.gz YNRPEQITQCDRBX-TTZDDIAXSA-N 1 3 311.426 -0.474 20 0 DBADHO C[C@H]1CCCN1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114832806 828749001 /nfs/dbraw/zinc/74/90/01/828749001.db2.gz YNRPEQITQCDRBX-TTZDDIAXSA-N 1 3 311.426 -0.474 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086271454 825216106 /nfs/dbraw/zinc/21/61/06/825216106.db2.gz AHHQWGMYHRBWGD-RWMBFGLXSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086271454 825216123 /nfs/dbraw/zinc/21/61/23/825216123.db2.gz AHHQWGMYHRBWGD-RWMBFGLXSA-N 1 3 306.414 -0.249 20 0 DBADHO O=C(NC[C@H]1C[C@H]([NH2+]CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086432152 825257344 /nfs/dbraw/zinc/25/73/44/825257344.db2.gz NCXMEAUYENSUFO-AYVTUFRQSA-N 1 3 309.410 -0.674 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001086550226 825285738 /nfs/dbraw/zinc/28/57/38/825285738.db2.gz AHHQWGMYHRBWGD-AVGNSLFASA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001086550226 825285751 /nfs/dbraw/zinc/28/57/51/825285751.db2.gz AHHQWGMYHRBWGD-AVGNSLFASA-N 1 3 306.414 -0.249 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH2+]CCO)C1)N(C)C ZINC001086997178 825312963 /nfs/dbraw/zinc/31/29/63/825312963.db2.gz PZVQZKPWIZFCBA-ZNMIVQPWSA-N 1 3 323.441 -0.363 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114997328 828773515 /nfs/dbraw/zinc/77/35/15/828773515.db2.gz JLOYHQWXASFHGT-COMQUAJESA-N 1 3 308.426 -0.347 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001114997328 828773523 /nfs/dbraw/zinc/77/35/23/828773523.db2.gz JLOYHQWXASFHGT-COMQUAJESA-N 1 3 308.426 -0.347 20 0 DBADHO C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCN1CCO ZINC001088912694 825474815 /nfs/dbraw/zinc/47/48/15/825474815.db2.gz MQSSBBLLCIVCGJ-OCCSQVGLSA-N 1 3 309.414 -0.370 20 0 DBADHO C[NH+]1CCC(CC(=O)N[C@@H]2CCN(CCCO)C[C@@H]2O)CC1 ZINC001090611057 825762318 /nfs/dbraw/zinc/76/23/18/825762318.db2.gz YJXMIQPLCUGDNO-CABCVRRESA-N 1 3 313.442 -0.348 20 0 DBADHO CCN1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090639060 825772669 /nfs/dbraw/zinc/77/26/69/825772669.db2.gz VCPWMEFDKNAWHM-UONOGXRCSA-N 1 3 309.414 -0.370 20 0 DBADHO CCN1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090639059 825772694 /nfs/dbraw/zinc/77/26/94/825772694.db2.gz VCPWMEFDKNAWHM-KGLIPLIRSA-N 1 3 309.414 -0.370 20 0 DBADHO CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C(C)C)C1=O ZINC001115303531 828827871 /nfs/dbraw/zinc/82/78/71/828827871.db2.gz FISNEMRFVDCLGR-CTASWTNQSA-N 1 3 322.453 -0.006 20 0 DBADHO CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CN(C)C(C)C)C1=O ZINC001115303531 828827881 /nfs/dbraw/zinc/82/78/81/828827881.db2.gz FISNEMRFVDCLGR-CTASWTNQSA-N 1 3 322.453 -0.006 20 0 DBADHO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCN(CCO)C[C@@H]2O)c1 ZINC001090827453 825861359 /nfs/dbraw/zinc/86/13/59/825861359.db2.gz JPQSRWDUYPTOGM-CVEARBPZSA-N 1 3 321.421 -0.095 20 0 DBADHO O=C(NCC1CC([NH2+]CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001091151128 825925938 /nfs/dbraw/zinc/92/59/38/825925938.db2.gz NCXMEAUYENSUFO-MHCOZEDOSA-N 1 3 309.410 -0.674 20 0 DBADHO CN(C(=O)[C@H](N)C1CCC2(CC1)OCCO2)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001161222042 832992272 /nfs/dbraw/zinc/99/22/72/832992272.db2.gz ULGDMTMWIXQFMJ-RQJABVFESA-N 1 3 309.410 -0.077 20 0 DBADHO CC(C)(C)CN(C(=O)[C@H]1COC2(CNC2)CN1)C1CC[NH2+]CC1 ZINC001161259111 832995633 /nfs/dbraw/zinc/99/56/33/832995633.db2.gz WCEHQFJQRVYGEZ-CQSZACIVSA-N 1 3 324.469 -0.057 20 0 DBADHO CNC(=O)NC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CNCC3)CC1 ZINC001161268730 832996936 /nfs/dbraw/zinc/99/69/36/832996936.db2.gz KQPZBLPCYWPLQH-IAQYHMDHSA-N 1 3 309.414 -0.895 20 0 DBADHO COC(=O)CC[C@@H](N)C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161380314 833009145 /nfs/dbraw/zinc/00/91/45/833009145.db2.gz TVMYICKHEDMQRA-QWHCGFSZSA-N 1 3 312.414 -0.709 20 0 DBADHO C[C@H](C(N)=O)N1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC001093133218 826090903 /nfs/dbraw/zinc/09/09/03/826090903.db2.gz WLBUSXDASXPJPN-JHJVBQTASA-N 1 3 308.426 -0.360 20 0 DBADHO CCN(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)[C@@H]1CCC[NH2+]C1 ZINC001161333587 833006167 /nfs/dbraw/zinc/00/61/67/833006167.db2.gz VBIVGVLIQGYDCL-NEPJUHHUSA-N 1 3 315.439 -0.636 20 0 DBADHO CCOC(=O)[C@H](N)C(=O)N(CCN(C)C)[C@@H]1CCC[NH2+]C1 ZINC001161444490 833017422 /nfs/dbraw/zinc/01/74/22/833017422.db2.gz IRPYQIRZCVBOIO-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@H]1C[NH2+][C@H]1CCCNC1=O ZINC001094075045 826194430 /nfs/dbraw/zinc/19/44/30/826194430.db2.gz XJSMBJNNRRRYKP-BZPMIXESSA-N 1 3 319.409 -0.085 20 0 DBADHO CN(C)CCN(C(=O)Cn1cccc(N)c1=O)[C@H]1CCC[NH2+]C1 ZINC001161446192 833018331 /nfs/dbraw/zinc/01/83/31/833018331.db2.gz QXZBDVJCZJVBMH-ZDUSSCGKSA-N 1 3 321.425 -0.427 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C(=O)[C@@H](N)Cc1c[nH]cn1)CC2 ZINC001161479608 833022986 /nfs/dbraw/zinc/02/29/86/833022986.db2.gz PUZHKVBNKVAPLB-SLEUVZQESA-N 1 3 321.381 -0.967 20 0 DBADHO COC(=O)[C@]12CC[NH2+][C@@H]1CN(C(=O)[C@H](N)Cc1c[nH]cn1)CC2 ZINC001161479607 833023139 /nfs/dbraw/zinc/02/31/39/833023139.db2.gz PUZHKVBNKVAPLB-JMSVASOKSA-N 1 3 321.381 -0.967 20 0 DBADHO CN[C@@H](COCc1ccccc1)C(=O)N1C[C@@H]([NH3+])C2(COC2)C1 ZINC001161511024 833029737 /nfs/dbraw/zinc/02/97/37/833029737.db2.gz VBQRVNHWZWFZSO-LSDHHAIUSA-N 1 3 319.405 -0.023 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099341725 826564041 /nfs/dbraw/zinc/56/40/41/826564041.db2.gz QRHQJONCOSXYGR-GMTAPVOTSA-N 1 3 309.332 -0.091 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2C[C@@H](C(F)(F)F)[C@H](NCCO)C2)C1 ZINC001099341725 826564048 /nfs/dbraw/zinc/56/40/48/826564048.db2.gz QRHQJONCOSXYGR-GMTAPVOTSA-N 1 3 309.332 -0.091 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973460 826752334 /nfs/dbraw/zinc/75/23/34/826752334.db2.gz DHOILDCMWUWXBM-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCN1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973458 826752611 /nfs/dbraw/zinc/75/26/11/826752611.db2.gz DHOILDCMWUWXBM-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)OCCN1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989267 826762289 /nfs/dbraw/zinc/76/22/89/826762289.db2.gz PWCKXGKTDSZJNN-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)[C@H](C(=O)N1CCC(O)(C[NH2+]CCCO)CC1)N(C)C ZINC001274558154 833098629 /nfs/dbraw/zinc/09/86/29/833098629.db2.gz HSIFXBUDKZSAJV-CQSZACIVSA-N 1 3 315.458 -0.102 20 0 DBADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@@H]1O)CC(C)(C)C ZINC001100013550 826772006 /nfs/dbraw/zinc/77/20/06/826772006.db2.gz OWHNANHMTDNGLH-KGLIPLIRSA-N 1 3 315.458 -0.102 20 0 DBADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@@H]1O)CC(C)(C)C ZINC001100013550 826772009 /nfs/dbraw/zinc/77/20/09/826772009.db2.gz OWHNANHMTDNGLH-KGLIPLIRSA-N 1 3 315.458 -0.102 20 0 DBADHO CN(CC(=O)N[C@@H]1CC[N@H+](CCCO)C[C@H]1O)CC(C)(C)C ZINC001100013552 826772723 /nfs/dbraw/zinc/77/27/23/826772723.db2.gz OWHNANHMTDNGLH-ZIAGYGMSSA-N 1 3 315.458 -0.102 20 0 DBADHO CN(CC(=O)N[C@@H]1CC[N@@H+](CCCO)C[C@H]1O)CC(C)(C)C ZINC001100013552 826772729 /nfs/dbraw/zinc/77/27/29/826772729.db2.gz OWHNANHMTDNGLH-ZIAGYGMSSA-N 1 3 315.458 -0.102 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@H+](CCCOC)C[C@H]1O ZINC001100041232 826790404 /nfs/dbraw/zinc/79/04/04/826790404.db2.gz GIJZFRRMUZNNGJ-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1CC[N@@H+](CCCOC)C[C@H]1O ZINC001100041232 826790409 /nfs/dbraw/zinc/79/04/09/826790409.db2.gz GIJZFRRMUZNNGJ-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOC(=O)c1c(CN)ncn1-c1ncc2c(n1)C[NH2+]CC2 ZINC001162532191 833110969 /nfs/dbraw/zinc/11/09/69/833110969.db2.gz NJDGDRZFWIEKQU-UHFFFAOYSA-N 1 3 302.338 -0.057 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N[C@@H]1CCN(CCCO)C[C@H]1O ZINC001100125010 826876585 /nfs/dbraw/zinc/87/65/85/826876585.db2.gz QLBSAQSIQGZPOS-HUUCEWRRSA-N 1 3 313.442 -0.204 20 0 DBADHO COCCC[NH2+]CCCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162849451 833121033 /nfs/dbraw/zinc/12/10/33/833121033.db2.gz DKRKZJOEZGVBLP-NPCAHTBFSA-N 1 3 311.426 -0.018 20 0 DBADHO O=C(NCCC[NH2+]C[C@@H]1CCOC1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001162872442 833121810 /nfs/dbraw/zinc/12/18/10/833121810.db2.gz RZIKUEOKJABXDP-UJEKJILKSA-N 1 3 323.437 -0.018 20 0 DBADHO CC[C@H]([NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1)C(N)=O ZINC001162872400 833122135 /nfs/dbraw/zinc/12/21/35/833122135.db2.gz QPAVQQJJFHAKJK-BTJONVMOSA-N 1 3 324.425 -0.791 20 0 DBADHO CO[C@@H](C)C[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162871985 833122245 /nfs/dbraw/zinc/12/22/45/833122245.db2.gz CJNTVICTVFKJBD-REWIBIJMSA-N 1 3 311.426 -0.020 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001162872632 833122289 /nfs/dbraw/zinc/12/22/89/833122289.db2.gz YQOLMWGHLLLWLH-ZMDMRTEPSA-N 1 3 324.425 -0.920 20 0 DBADHO CN(C)C1(C(=O)NCC2CC([NH2+][C@H]3CCNC3=O)C2)CCC1 ZINC001100405844 826959136 /nfs/dbraw/zinc/95/91/36/826959136.db2.gz PBGFHBDETXEGFH-BPCQOVAHSA-N 1 3 308.426 -0.156 20 0 DBADHO COC[C@@H](O)C[NH2+]C1CC(CNC(=O)CN(C)C2CCC2)C1 ZINC001100410623 826960171 /nfs/dbraw/zinc/96/01/71/826960171.db2.gz FTJGUEIOEYVDHL-PIMMBPRGSA-N 1 3 313.442 -0.038 20 0 DBADHO CN(C)[C@@H](C(=O)NCC1CC([NH2+]CCOCCO)C1)C1CC1 ZINC001100407549 826960452 /nfs/dbraw/zinc/96/04/52/826960452.db2.gz ANDRWIFVQDPNMV-PESDSKBTSA-N 1 3 313.442 -0.180 20 0 DBADHO CC[C@H](C(=O)NCC1CC([NH2+]C[C@H](O)COC)C1)N(C)C ZINC001100442604 826965950 /nfs/dbraw/zinc/96/59/50/826965950.db2.gz NUQPUBHYZRRFNZ-CLRIEMFWSA-N 1 3 301.431 -0.182 20 0 DBADHO CC[C@@H](C(=O)NCC1CC([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001100683701 827001614 /nfs/dbraw/zinc/00/16/14/827001614.db2.gz NUQPUBHYZRRFNZ-PQAZSJQKSA-N 1 3 301.431 -0.182 20 0 DBADHO C[C@@H](CN[C@@H]1CCC(=O)NC1=O)NC(=O)CCC[NH+]1CCCC1 ZINC001275459840 833181167 /nfs/dbraw/zinc/18/11/67/833181167.db2.gz WTBCPAIJNKVAMZ-QWHCGFSZSA-N 1 3 324.425 -0.238 20 0 DBADHO Cc1cc(NC(=O)CNCCCNC(=O)CC[NH+](C)C)on1 ZINC001165794052 833259637 /nfs/dbraw/zinc/25/96/37/833259637.db2.gz JHTRSQHMUDLKHU-UHFFFAOYSA-N 1 3 311.386 -0.031 20 0 DBADHO CC(C)[C@H](C(=O)NCCC[NH2+]CCS(C)(=O)=O)N(C)C ZINC001166004443 833263354 /nfs/dbraw/zinc/26/33/54/833263354.db2.gz OKTOEDFINXBAHT-GFCCVEGCSA-N 1 3 307.460 -0.287 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001166627265 833276561 /nfs/dbraw/zinc/27/65/61/833276561.db2.gz UIXZTQIDVDZXBV-ZDUSSCGKSA-N 1 3 311.430 -0.408 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCCC[NH2+]CC(=O)NCC2CC2)C1 ZINC001166667981 833276883 /nfs/dbraw/zinc/27/68/83/833276883.db2.gz NDIBOMLQPFWDBV-CYBMUJFWSA-N 1 3 310.442 -0.050 20 0 DBADHO CC(C)(C)N1CC[C@](F)(C(=O)NCCC[NH2+]CC(N)=O)C1 ZINC001166687346 833277855 /nfs/dbraw/zinc/27/78/55/833277855.db2.gz OGQMXDHOVJWMFW-CQSZACIVSA-N 1 3 302.394 -0.220 20 0 DBADHO CC[C@@H](C(=O)NCCC[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001166852409 833283929 /nfs/dbraw/zinc/28/39/29/833283929.db2.gz QRDRHWMZTYKOES-UWVGGRQHSA-N 1 3 301.391 -0.994 20 0 DBADHO CCN(CC)CC(=O)NCCC[NH2+]C[C@H](O)COCCOC ZINC001168756176 833327962 /nfs/dbraw/zinc/32/79/62/833327962.db2.gz WNCWIFQBHCPNLV-AWEZNQCLSA-N 1 3 319.446 -0.552 20 0 DBADHO OC[C@@H]1C[NH2+]C[C@H]1Nc1cncc(OCCN2CCCC2)n1 ZINC001170778418 833359910 /nfs/dbraw/zinc/35/99/10/833359910.db2.gz UEJANGRTBFVEGD-QWHCGFSZSA-N 1 3 307.398 -0.057 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+][C@H](C)C(=O)NC(=O)NC ZINC001171770119 833374752 /nfs/dbraw/zinc/37/47/52/833374752.db2.gz MUGMMGDXXHLTMK-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]C[C@@H](O)COCCOC ZINC001171762805 833374760 /nfs/dbraw/zinc/37/47/60/833374760.db2.gz LWAIDSXZRCZKFZ-CQSZACIVSA-N 1 3 319.446 -0.552 20 0 DBADHO CCCN(C)CC(=O)NCCC[NH2+]CCN(C)S(C)(=O)=O ZINC001171762574 833374538 /nfs/dbraw/zinc/37/45/38/833374538.db2.gz GQORHIWACOOLBL-UHFFFAOYSA-N 1 3 322.475 -0.685 20 0 DBADHO COC(=O)[C@H](CN)C[NH2+][C@@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173567447 833378196 /nfs/dbraw/zinc/37/81/96/833378196.db2.gz DUQJUPQWRULEPO-DBIOUOCHSA-N 1 3 316.354 -0.935 20 0 DBADHO COC(=O)[C@@H](CN)C[NH2+][C@H]1C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C1 ZINC001173567448 833378262 /nfs/dbraw/zinc/37/82/62/833378262.db2.gz DUQJUPQWRULEPO-MMWGEVLESA-N 1 3 316.354 -0.935 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCCN2CCN(C)CC2)C1 ZINC001119295396 829247644 /nfs/dbraw/zinc/24/76/44/829247644.db2.gz CRHACOUWQGGGQS-HOCLYGCPSA-N 1 3 312.458 -0.103 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@H](CF)C1 ZINC001120440384 829373019 /nfs/dbraw/zinc/37/30/19/829373019.db2.gz YDSZVBTYEQWKQO-ZDUSSCGKSA-N 1 3 316.421 -0.244 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCCC[NH2+]C[C@@H](O)COC ZINC001176986034 833445201 /nfs/dbraw/zinc/44/52/01/833445201.db2.gz CFCHGIXPGWRBSO-ZIAGYGMSSA-N 1 3 301.431 -0.036 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)[C@@H]1C ZINC001179987301 833565728 /nfs/dbraw/zinc/56/57/28/833565728.db2.gz PJYWVXDIRLTFEN-AVGNSLFASA-N 1 3 324.425 -0.288 20 0 DBADHO CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001127081850 829982094 /nfs/dbraw/zinc/98/20/94/829982094.db2.gz DOINJGWSBLFVFF-QWRGUYRKSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001127081850 829982098 /nfs/dbraw/zinc/98/20/98/829982098.db2.gz DOINJGWSBLFVFF-QWRGUYRKSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001127081851 829982334 /nfs/dbraw/zinc/98/23/34/829982334.db2.gz DOINJGWSBLFVFF-WDEREUQCSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H](C)C(=O)NC(N)=O ZINC001127081851 829982340 /nfs/dbraw/zinc/98/23/40/829982340.db2.gz DOINJGWSBLFVFF-WDEREUQCSA-N 1 3 313.402 -0.852 20 0 DBADHO CC(C)N(C)C(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127473617 830013126 /nfs/dbraw/zinc/01/31/26/830013126.db2.gz ANGCLYAIVNRTGC-CQSZACIVSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[C@H](C)NC(=O)CNCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474713 830013627 /nfs/dbraw/zinc/01/36/27/830013627.db2.gz OETOSRFJNVWIOD-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NC(=O)CNCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001127481623 830014099 /nfs/dbraw/zinc/01/40/99/830014099.db2.gz VKWZCEPNPXKYFI-IUODEOHRSA-N 1 3 322.453 -0.051 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)NCCNCC(=O)NC2CC2)n1 ZINC001127576800 830018513 /nfs/dbraw/zinc/01/85/13/830018513.db2.gz XGVFAPCSSLJLIV-UHFFFAOYSA-N 1 3 322.413 -0.957 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001127701251 830024455 /nfs/dbraw/zinc/02/44/55/830024455.db2.gz LQOYGSJKMJCOQN-QJPTWQEYSA-N 1 3 310.398 -0.772 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001127701251 830024459 /nfs/dbraw/zinc/02/44/59/830024459.db2.gz LQOYGSJKMJCOQN-QJPTWQEYSA-N 1 3 310.398 -0.772 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cn1 ZINC001127778804 830029350 /nfs/dbraw/zinc/02/93/50/830029350.db2.gz GGAGPMLNMJWGIW-KGLIPLIRSA-N 1 3 307.398 -0.511 20 0 DBADHO Cn1cc(CNCCNC(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cn1 ZINC001127778804 830029357 /nfs/dbraw/zinc/02/93/57/830029357.db2.gz GGAGPMLNMJWGIW-KGLIPLIRSA-N 1 3 307.398 -0.511 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779754 830029931 /nfs/dbraw/zinc/02/99/31/830029931.db2.gz RNBXYDLIXPSNMO-QWHCGFSZSA-N 1 3 312.414 -0.920 20 0 DBADHO CC(C)NC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001127779754 830029934 /nfs/dbraw/zinc/02/99/34/830029934.db2.gz RNBXYDLIXPSNMO-QWHCGFSZSA-N 1 3 312.414 -0.920 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NCC1CC1 ZINC001127779993 830031737 /nfs/dbraw/zinc/03/17/37/830031737.db2.gz UQXYCLLEFAWFHV-ZIAGYGMSSA-N 1 3 324.425 -0.918 20 0 DBADHO O=C(CNCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1)NCC1CC1 ZINC001127779993 830031742 /nfs/dbraw/zinc/03/17/42/830031742.db2.gz UQXYCLLEFAWFHV-ZIAGYGMSSA-N 1 3 324.425 -0.918 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)NCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001128540500 830095721 /nfs/dbraw/zinc/09/57/21/830095721.db2.gz XFLKPADBONKOKB-RYUDHWBXSA-N 1 3 304.410 -0.151 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001128783123 830129867 /nfs/dbraw/zinc/12/98/67/830129867.db2.gz FQWKRKXNHHMYMR-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NCCN[C@H](C)C(=O)NC(N)=O ZINC001128783123 830129871 /nfs/dbraw/zinc/12/98/71/830129871.db2.gz FQWKRKXNHHMYMR-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)C[N@@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001129329118 830172377 /nfs/dbraw/zinc/17/23/77/830172377.db2.gz VCYJZSINFKOYNT-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(C)C[N@H+]1CC[C@@H](C(=O)NCCN[C@@H]2CCN(C)C2=O)C1 ZINC001129329118 830172381 /nfs/dbraw/zinc/17/23/81/830172381.db2.gz VCYJZSINFKOYNT-ZIAGYGMSSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364137 830175293 /nfs/dbraw/zinc/17/52/93/830175293.db2.gz PWKPXPVOODRQCV-ZDUSSCGKSA-N 1 3 312.414 -0.918 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364137 830175296 /nfs/dbraw/zinc/17/52/96/830175296.db2.gz PWKPXPVOODRQCV-ZDUSSCGKSA-N 1 3 312.414 -0.918 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129358686 830175685 /nfs/dbraw/zinc/17/56/85/830175685.db2.gz WOELHRCEMSWTAS-UHFFFAOYSA-N 1 3 313.446 -0.116 20 0 DBADHO O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364508 830175782 /nfs/dbraw/zinc/17/57/82/830175782.db2.gz VRYFIEOJGPLQNY-KGLIPLIRSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(NCCN[C@@H]1CCNC1=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364508 830175786 /nfs/dbraw/zinc/17/57/86/830175786.db2.gz VRYFIEOJGPLQNY-KGLIPLIRSA-N 1 3 324.425 -0.776 20 0 DBADHO CN(C)C1(C(=O)NCC[NH2+]CCCS(C)(=O)=O)CCC1 ZINC001129355974 830175981 /nfs/dbraw/zinc/17/59/81/830175981.db2.gz ADWBMDZJKKCNJI-UHFFFAOYSA-N 1 3 305.444 -0.389 20 0 DBADHO O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364510 830176009 /nfs/dbraw/zinc/17/60/09/830176009.db2.gz VRYFIEOJGPLQNY-ZIAGYGMSSA-N 1 3 324.425 -0.776 20 0 DBADHO O=C(NCCN[C@@H]1CCNC1=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129364510 830176012 /nfs/dbraw/zinc/17/60/12/830176012.db2.gz VRYFIEOJGPLQNY-ZIAGYGMSSA-N 1 3 324.425 -0.776 20 0 DBADHO CCS(=O)(=O)NCC[NH2+]CCNC(=O)C1(N(C)C)CCC1 ZINC001129364297 830176188 /nfs/dbraw/zinc/17/61/88/830176188.db2.gz RHYUEFDAHXOMJV-UHFFFAOYSA-N 1 3 320.459 -0.884 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435070 830181122 /nfs/dbraw/zinc/18/11/22/830181122.db2.gz AIVKIIXLKCOYRT-OAHLLOKOSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)[C@H](C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21)C1CC1 ZINC001129444695 830181934 /nfs/dbraw/zinc/18/19/34/830181934.db2.gz XHXLFIZHCZDLCR-JSGCOSHPSA-N 1 3 306.414 -0.189 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532134 830187195 /nfs/dbraw/zinc/18/71/95/830187195.db2.gz RYOGULKJZGULEA-CQSZACIVSA-N 1 3 317.430 -0.800 20 0 DBADHO CN(CC(=O)NCC[NH2+]CCN1C(=O)CCC1=O)C1CCC1 ZINC001129535158 830187529 /nfs/dbraw/zinc/18/75/29/830187529.db2.gz KGOUFMHYAVQYIF-UHFFFAOYSA-N 1 3 310.398 -0.675 20 0 DBADHO CC(C)NC(=O)NCC[NH2+]CCNC(=O)CN(C)C1CCC1 ZINC001129532321 830187773 /nfs/dbraw/zinc/18/77/73/830187773.db2.gz YRXDEZDVBWTIPT-UHFFFAOYSA-N 1 3 313.446 -0.116 20 0 DBADHO C[N@@H+]1CCC[C@H]1CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129840401 830218178 /nfs/dbraw/zinc/21/81/78/830218178.db2.gz FYUTVVOEPFPJJZ-NWDGAFQWSA-N 1 3 310.398 -0.628 20 0 DBADHO C[N@H+]1CCC[C@H]1CCC(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001129840401 830218187 /nfs/dbraw/zinc/21/81/87/830218187.db2.gz FYUTVVOEPFPJJZ-NWDGAFQWSA-N 1 3 310.398 -0.628 20 0 DBADHO CNC(=O)NC(=O)[C@@H](C)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950280 830232533 /nfs/dbraw/zinc/23/25/33/830232533.db2.gz QJDILKLLNSDLDS-MNOVXSKESA-N 1 3 315.418 -0.878 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)[C@H](C(C)C)N(C)C ZINC001129950729 830232986 /nfs/dbraw/zinc/23/29/86/830232986.db2.gz YNWAEPXVOGJBMR-KBPBESRZSA-N 1 3 319.446 -0.698 20 0 DBADHO CCN(CC)CC(=O)N1C[C@@H]([NH2+]C[C@H](C)O)[C@@H](n2ccnn2)C1 ZINC001130047427 830253390 /nfs/dbraw/zinc/25/33/90/830253390.db2.gz AKUNRZGYHFBNFM-MJBXVCDLSA-N 1 3 324.429 -0.658 20 0 DBADHO CCCN(C)CC(=O)N1C[C@@H]([NH2+]CCOC)[C@@H](n2ccnn2)C1 ZINC001130107173 830264410 /nfs/dbraw/zinc/26/44/10/830264410.db2.gz HOLCETVELATJKQ-KGLIPLIRSA-N 1 3 324.429 -0.392 20 0 DBADHO O=C(CNCCNC(=O)C12CCC[NH+](CCC1)C2)N1CCC1 ZINC001130167258 830272224 /nfs/dbraw/zinc/27/22/24/830272224.db2.gz REQBWIUALHVFRO-UHFFFAOYSA-N 1 3 308.426 -0.200 20 0 DBADHO CC[C@H](C(=O)NCC[NH2+]CC[C@H]1CCS(=O)(=O)C1)N(C)C ZINC001130203797 830281895 /nfs/dbraw/zinc/28/18/95/830281895.db2.gz XZIJNYQEKQGBMX-QWHCGFSZSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001130421639 830320324 /nfs/dbraw/zinc/32/03/24/830320324.db2.gz DAFJUARKELYZPO-SNVBAGLBSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001130421639 830320332 /nfs/dbraw/zinc/32/03/32/830320332.db2.gz DAFJUARKELYZPO-SNVBAGLBSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCCCOC ZINC001130422179 830321276 /nfs/dbraw/zinc/32/12/76/830321276.db2.gz ZRBDJKMXWSOQLL-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCC(=O)NCCCOC ZINC001130422179 830321284 /nfs/dbraw/zinc/32/12/84/830321284.db2.gz ZRBDJKMXWSOQLL-UHFFFAOYSA-N 1 3 316.446 -0.425 20 0 DBADHO CN(CCC(=O)NCCNCC(=O)NC1CC1)c1cc[nH+]cc1 ZINC001130556606 830341428 /nfs/dbraw/zinc/34/14/28/830341428.db2.gz OYRPWKUAGXNMJO-UHFFFAOYSA-N 1 3 319.409 -0.108 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001130711390 830368161 /nfs/dbraw/zinc/36/81/61/830368161.db2.gz TVCGDXBNRGXAEL-CHWSQXEVSA-N 1 3 324.425 -0.382 20 0 DBADHO CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001130711390 830368167 /nfs/dbraw/zinc/36/81/67/830368167.db2.gz TVCGDXBNRGXAEL-CHWSQXEVSA-N 1 3 324.425 -0.382 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131519479 830478943 /nfs/dbraw/zinc/47/89/43/830478943.db2.gz GPUFRHMNKWGJEI-CXOJTPOUSA-N 1 3 319.409 -0.511 20 0 DBADHO Cn1nccc1CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519479 830478949 /nfs/dbraw/zinc/47/89/49/830478949.db2.gz GPUFRHMNKWGJEI-CXOJTPOUSA-N 1 3 319.409 -0.511 20 0 DBADHO C[C@@H](O)CCC[NH2+]CCNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001131519212 830478984 /nfs/dbraw/zinc/47/89/84/830478984.db2.gz AKSXPLFBMKQFIS-ILTLLKDXSA-N 1 3 311.426 -0.284 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520269 830480018 /nfs/dbraw/zinc/48/00/18/830480018.db2.gz WMJUCHLDCCOLMD-MFOWVQHXSA-N 1 3 324.425 -0.918 20 0 DBADHO CCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131520269 830480020 /nfs/dbraw/zinc/48/00/20/830480020.db2.gz WMJUCHLDCCOLMD-MFOWVQHXSA-N 1 3 324.425 -0.918 20 0 DBADHO CN1CC[C@H](NCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1=O ZINC001131789981 830530001 /nfs/dbraw/zinc/53/00/01/830530001.db2.gz CJHOSHWHLQPFIT-UONOGXRCSA-N 1 3 308.426 -0.203 20 0 DBADHO C[NH+](C)CCc1ccccc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001131799970 830533536 /nfs/dbraw/zinc/53/35/36/830533536.db2.gz ZFBRFFSJZZROLS-OAHLLOKOSA-N 1 3 318.421 -0.001 20 0 DBADHO C[NH+](C)C1(CC(=O)NCCN[C@H]2CCC(=O)NC2=O)CCCC1 ZINC001131840555 830542665 /nfs/dbraw/zinc/54/26/65/830542665.db2.gz OBCQRXRDROJEOT-LBPRGKRZSA-N 1 3 324.425 -0.238 20 0 DBADHO C[C@H](NCCNC(=O)C(C)(C)[NH+]1CCCC1)C(=O)NC(N)=O ZINC001132287313 830622238 /nfs/dbraw/zinc/62/22/38/830622238.db2.gz WWANZLFPROZXDM-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001132886392 830711478 /nfs/dbraw/zinc/71/14/78/830711478.db2.gz KEFITVGMTOQOSL-SRVKXCTJSA-N 1 3 310.398 -0.772 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001132886392 830711485 /nfs/dbraw/zinc/71/14/85/830711485.db2.gz KEFITVGMTOQOSL-SRVKXCTJSA-N 1 3 310.398 -0.772 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC[N@@H+]1C ZINC001132886391 830711498 /nfs/dbraw/zinc/71/14/98/830711498.db2.gz KEFITVGMTOQOSL-SDDRHHMPSA-N 1 3 310.398 -0.772 20 0 DBADHO C[C@H]1C[C@@H](C(=O)NCCN[C@@H]2CCC(=O)NC2=O)CC[N@H+]1C ZINC001132886391 830711507 /nfs/dbraw/zinc/71/15/07/830711507.db2.gz KEFITVGMTOQOSL-SDDRHHMPSA-N 1 3 310.398 -0.772 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001132893402 830711991 /nfs/dbraw/zinc/71/19/91/830711991.db2.gz PCKJCUDHYGRZRG-AXFHLTTASA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)NC(N)=O ZINC001132893402 830711997 /nfs/dbraw/zinc/71/19/97/830711997.db2.gz PCKJCUDHYGRZRG-AXFHLTTASA-N 1 3 313.402 -0.994 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993476 830727790 /nfs/dbraw/zinc/72/77/90/830727790.db2.gz WBBQYYPVJGSZSF-UHFFFAOYSA-N 1 3 314.430 -0.813 20 0 DBADHO C[NH+]1CCC(C(=O)NCCNCC(=O)NCC2CCC2)CC1 ZINC001133285741 830763044 /nfs/dbraw/zinc/76/30/44/830763044.db2.gz GVFRGMDATBBDLB-UHFFFAOYSA-N 1 3 310.442 -0.050 20 0 DBADHO CCOCCNC(=O)CNCCNC(=O)C1CC[NH+](C)CC1 ZINC001133285691 830763243 /nfs/dbraw/zinc/76/32/43/830763243.db2.gz DJHFNPNQPGUBDW-UHFFFAOYSA-N 1 3 314.430 -0.813 20 0 DBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1)N(C)C ZINC001133434674 830775655 /nfs/dbraw/zinc/77/56/55/830775655.db2.gz YJHVAYJNZCQCOK-ZIAGYGMSSA-N 1 3 311.430 -0.464 20 0 DBADHO COCCOC[C@@H](O)C[NH2+]CCNC(=O)CN1CCC[C@H]1C ZINC001133824107 830831927 /nfs/dbraw/zinc/83/19/27/830831927.db2.gz XTVPEBSDLHKRPB-KGLIPLIRSA-N 1 3 317.430 -0.800 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001133834054 830833198 /nfs/dbraw/zinc/83/31/98/830833198.db2.gz MTLIGIWKZSQEHF-UONOGXRCSA-N 1 3 309.414 -0.566 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)N(C)CC2CC2)C1 ZINC001133845321 830837251 /nfs/dbraw/zinc/83/72/51/830837251.db2.gz BCLSIBKCUSSNLT-ZDUSSCGKSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)N(C)CC2CC2)C1 ZINC001133845321 830837259 /nfs/dbraw/zinc/83/72/59/830837259.db2.gz BCLSIBKCUSSNLT-ZDUSSCGKSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001133846363 830837423 /nfs/dbraw/zinc/83/74/23/830837423.db2.gz ZJXVFUNSJKBIFE-ZDUSSCGKSA-N 1 3 322.409 -0.057 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)NCCNCC(=O)NCc2ccco2)C1 ZINC001133846363 830837428 /nfs/dbraw/zinc/83/74/28/830837428.db2.gz ZJXVFUNSJKBIFE-ZDUSSCGKSA-N 1 3 322.409 -0.057 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133846324 830837601 /nfs/dbraw/zinc/83/76/01/830837601.db2.gz YTFGHNMXOLRIMV-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133846324 830837607 /nfs/dbraw/zinc/83/76/07/830837607.db2.gz YTFGHNMXOLRIMV-CYBMUJFWSA-N 1 3 314.430 -0.813 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001133845855 830838124 /nfs/dbraw/zinc/83/81/24/830838124.db2.gz OVMXMJFTCBGBQU-STQMWFEESA-N 1 3 317.455 -0.531 20 0 DBADHO C[C@H]1CCN(CC(=O)NCC[NH2+]Cc2ccn(C)c(=O)c2)C1 ZINC001133853210 830839651 /nfs/dbraw/zinc/83/96/51/830839651.db2.gz FHSDZCRRJXDIOI-ZDUSSCGKSA-N 1 3 306.410 -0.067 20 0 DBADHO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133866047 830841361 /nfs/dbraw/zinc/84/13/61/830841361.db2.gz GYHZOEQSXBLRPJ-NXEZZACHSA-N 1 3 324.347 -0.432 20 0 DBADHO C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NCCNCC(=O)NCC(F)(F)F ZINC001133866047 830841369 /nfs/dbraw/zinc/84/13/69/830841369.db2.gz GYHZOEQSXBLRPJ-NXEZZACHSA-N 1 3 324.347 -0.432 20 0 DBADHO C[C@@H]([NH2+]CCNC(=O)CN1CCC(C)(C)C1)C(=O)NC(N)=O ZINC001133896857 830850757 /nfs/dbraw/zinc/85/07/57/830850757.db2.gz SHRRAXLFGYEUIJ-SNVBAGLBSA-N 1 3 313.402 -0.993 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001133963720 830866623 /nfs/dbraw/zinc/86/66/23/830866623.db2.gz XZIJNYQEKQGBMX-OLZOCXBDSA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C)N(C)C ZINC001133965929 830866443 /nfs/dbraw/zinc/86/64/43/830866443.db2.gz PXRBGMWKNYCQSA-LBPRGKRZSA-N 1 3 322.475 -0.686 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]CCNC(=O)NC(C)C)N(C)C ZINC001133965626 830867133 /nfs/dbraw/zinc/86/71/33/830867133.db2.gz BXGOKVLNJRXAGO-LBPRGKRZSA-N 1 3 301.435 -0.260 20 0 DBADHO CNC(=O)[C@@H](C)NCCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134020635 830876424 /nfs/dbraw/zinc/87/64/24/830876424.db2.gz DJNNAUKMDOKDIT-QWHCGFSZSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@H](COCC(=O)NCCN[C@H](C)C(N)=O)[NH+]1CCCC1 ZINC001134021284 830877508 /nfs/dbraw/zinc/87/75/08/830877508.db2.gz XCWDOJVUVCZZLV-VXGBXAGGSA-N 1 3 300.403 -0.933 20 0 DBADHO C[C@H](COCC(=O)NCCN[C@@H]1CCNC1=O)[NH+]1CCCC1 ZINC001134058600 830885479 /nfs/dbraw/zinc/88/54/79/830885479.db2.gz VLSYJIZJCYGXBP-CHWSQXEVSA-N 1 3 312.414 -0.918 20 0 DBADHO C[C@H](NCCNC(=O)CC1CC[NH+](C)CC1)C(=O)NC(N)=O ZINC001134782717 830977844 /nfs/dbraw/zinc/97/78/44/830977844.db2.gz KILFGWISFKYXLL-JTQLQIEISA-N 1 3 313.402 -0.993 20 0 DBADHO CC(C)[C@@H](C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1)N(C)C ZINC001183436596 833716965 /nfs/dbraw/zinc/71/69/65/833716965.db2.gz OLUCSJSTNXOBHL-KGLIPLIRSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[NH+](CC)[C@H](C(=O)NCCNCC(=O)NC(N)=O)C(C)C ZINC001135474144 831074220 /nfs/dbraw/zinc/07/42/20/831074220.db2.gz IIJJXKAUNGUBKP-LBPRGKRZSA-N 1 3 315.418 -0.747 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001135511655 831080106 /nfs/dbraw/zinc/08/01/06/831080106.db2.gz XJAYDRVFQXGYHQ-CYBMUJFWSA-N 1 3 305.419 -0.942 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959727 831141545 /nfs/dbraw/zinc/14/15/45/831141545.db2.gz UIXVCHYJZBTUNF-UHFFFAOYSA-N 1 3 314.430 -0.719 20 0 DBADHO CN1CC[C@H](NCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135963551 831141591 /nfs/dbraw/zinc/14/15/91/831141591.db2.gz SMZBCMRCBPHVLK-ZDUSSCGKSA-N 1 3 312.414 -0.966 20 0 DBADHO CCCNC(=O)CNCCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959695 831141662 /nfs/dbraw/zinc/14/16/62/831141662.db2.gz TUNAWGRCUCKZFA-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)NCCNCC(=O)NC(N)=O)CC1 ZINC001146384413 831278654 /nfs/dbraw/zinc/27/86/54/831278654.db2.gz RBTGXKUGSKXTQD-UHFFFAOYSA-N 1 3 313.402 -0.993 20 0 DBADHO CN(CCN[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)S(C)(=O)=O ZINC001185407969 833794391 /nfs/dbraw/zinc/79/43/91/833794391.db2.gz IKJVGKMSPKRDJT-GFCCVEGCSA-N 1 3 320.459 -0.980 20 0 DBADHO CCNC(=O)CNCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001147333698 831363465 /nfs/dbraw/zinc/36/34/65/831363465.db2.gz VKRAWKUCCRKEQO-UHFFFAOYSA-N 1 3 310.442 -0.050 20 0 DBADHO CN(C)C(=O)CN1CCO[C@H]2CN(CC3CC[NH+](C)CC3)C[C@@H]21 ZINC001276696186 833450536 /nfs/dbraw/zinc/45/05/36/833450536.db2.gz MIOADYHFAXOSEY-HOTGVXAUSA-N 1 3 324.469 -0.199 20 0 DBADHO CC[C@@H](C)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842452 831411101 /nfs/dbraw/zinc/41/11/01/831411101.db2.gz YNSYSMVOHSLEEJ-GFCCVEGCSA-N 1 3 302.419 -0.815 20 0 DBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCC1CCC1 ZINC001147842114 831411261 /nfs/dbraw/zinc/41/12/61/831411261.db2.gz NJAYCHWQIDKCEF-UHFFFAOYSA-N 1 3 314.430 -0.813 20 0 DBADHO CC(C)CNC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147894007 831415716 /nfs/dbraw/zinc/41/57/16/831415716.db2.gz XTBGSQMIHYTJNY-UHFFFAOYSA-N 1 3 302.419 -0.957 20 0 DBADHO CC(C)N1CC[C@@H](NCCNC(=O)COCC[NH+](C)C)C1=O ZINC001147893718 831415818 /nfs/dbraw/zinc/41/58/18/831415818.db2.gz RVYDNYTVAYHTCB-CYBMUJFWSA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)CNC(=O)[C@@H](C)NCCNC(=O)C12CC[NH+](CC1)C2 ZINC001148000098 831422719 /nfs/dbraw/zinc/42/27/19/831422719.db2.gz KBMGGKYAFPGNHV-CYBMUJFWSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CCNCCNC(=O)CCCC[NH+](C)C)S(C)(=O)=O ZINC001148359735 831447776 /nfs/dbraw/zinc/44/77/76/831447776.db2.gz AXGAOJIUZVLUPR-UHFFFAOYSA-N 1 3 322.475 -0.685 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)NCCNC(=O)CCCC[NH+](C)C ZINC001148365120 831447845 /nfs/dbraw/zinc/44/78/45/831447845.db2.gz HNLSUCFFGYMQPY-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]CC1CCS(=O)(=O)CC1 ZINC001148638660 831467479 /nfs/dbraw/zinc/46/74/79/831467479.db2.gz LSTPKUSXHUJHNK-UHFFFAOYSA-N 1 3 319.471 -0.141 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC001148654988 831469017 /nfs/dbraw/zinc/46/90/17/831469017.db2.gz DKMSTMCFADODHZ-GFCCVEGCSA-N 1 3 307.460 -0.285 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCOCCO)C3)C1 ZINC001148748128 831472278 /nfs/dbraw/zinc/47/22/78/831472278.db2.gz JLIDRZHBUJXJRZ-CQSZACIVSA-N 1 3 311.426 -0.519 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CCN(CCOCCO)C3)C1 ZINC001148748128 831472281 /nfs/dbraw/zinc/47/22/81/831472281.db2.gz JLIDRZHBUJXJRZ-CQSZACIVSA-N 1 3 311.426 -0.519 20 0 DBADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@H+](CCOCCO)C2 ZINC001148839595 831475187 /nfs/dbraw/zinc/47/51/87/831475187.db2.gz SSOPTPPSZBGBEI-UHFFFAOYSA-N 1 3 313.442 -0.130 20 0 DBADHO CC(C)N(C)CC(=O)N1CC2(C1)CC[N@@H+](CCOCCO)C2 ZINC001148839595 831475190 /nfs/dbraw/zinc/47/51/90/831475190.db2.gz SSOPTPPSZBGBEI-UHFFFAOYSA-N 1 3 313.442 -0.130 20 0 DBADHO C[C@@H](O)CN1CCCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150193425 831597282 /nfs/dbraw/zinc/59/72/82/831597282.db2.gz MPTMIFCKLWMGCS-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)O)CCCO1 ZINC001150547258 831628397 /nfs/dbraw/zinc/62/83/97/831628397.db2.gz QISALESHKZQKPR-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC[C@@H]1CN(C[C@@H](C)O)CCCO1 ZINC001150547258 831628402 /nfs/dbraw/zinc/62/84/02/831628402.db2.gz QISALESHKZQKPR-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[NH+](C)CCOCC(=O)NC[C@@H]1CN(CCCO)CCCO1 ZINC001150588998 831631890 /nfs/dbraw/zinc/63/18/90/831631890.db2.gz SBGMVYMTYRLCIM-CQSZACIVSA-N 1 3 317.430 -0.846 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCCO1 ZINC001150777518 831645738 /nfs/dbraw/zinc/64/57/38/831645738.db2.gz FZRYJYASLFDCOS-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001150777518 831645742 /nfs/dbraw/zinc/64/57/42/831645742.db2.gz FZRYJYASLFDCOS-KBPBESRZSA-N 1 3 301.431 -0.086 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NCc1ccco1 ZINC001151073666 831661935 /nfs/dbraw/zinc/66/19/35/831661935.db2.gz OLTXOKOBGOSUSC-STQMWFEESA-N 1 3 322.409 -0.058 20 0 DBADHO C[C@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NCc1ccco1 ZINC001151073666 831661938 /nfs/dbraw/zinc/66/19/38/831661938.db2.gz OLTXOKOBGOSUSC-STQMWFEESA-N 1 3 322.409 -0.058 20 0 DBADHO Cc1nccnc1C[NH2+]CCNC(=O)[C@H](C)CN1CCOCC1 ZINC001151159358 831669315 /nfs/dbraw/zinc/66/93/15/831669315.db2.gz SKWCPPZYVGJCFG-CYBMUJFWSA-N 1 3 321.425 -0.041 20 0 DBADHO COC[C@H](C)OC[C@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426762 831749677 /nfs/dbraw/zinc/74/96/77/831749677.db2.gz NSPLQZULJDFPNK-UONOGXRCSA-N 1 3 319.446 -0.555 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]C[C@H](C)CS(C)(=O)=O ZINC001152431772 831749816 /nfs/dbraw/zinc/74/98/16/831749816.db2.gz DWMNYKRDYNTOON-LBPRGKRZSA-N 1 3 307.460 -0.287 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426978 831750201 /nfs/dbraw/zinc/75/02/01/831750201.db2.gz RYVDZQVHFKPJSX-CYBMUJFWSA-N 1 3 305.419 -0.944 20 0 DBADHO CC(C)N(C)CC(=O)NCC[NH2+]CCCS(=O)(=O)N(C)C ZINC001152432888 831750900 /nfs/dbraw/zinc/75/09/00/831750900.db2.gz PEPXHSUMGONEIH-UHFFFAOYSA-N 1 3 322.475 -0.686 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC(N)=O ZINC001152458428 831753130 /nfs/dbraw/zinc/75/31/30/831753130.db2.gz PTVJBWNBEAXCFU-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO CC(C)[C@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001152480510 831754414 /nfs/dbraw/zinc/75/44/14/831754414.db2.gz VTWSRDIBCKEKBY-GXTWGEPZSA-N 1 3 324.425 -0.382 20 0 DBADHO CCOCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791595 831952489 /nfs/dbraw/zinc/95/24/89/831952489.db2.gz XPFJYNVJCSZCPQ-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO COCCCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCN1C ZINC001155791295 831952654 /nfs/dbraw/zinc/95/26/54/831952654.db2.gz VKZWLYSOSRWCJT-ZDUSSCGKSA-N 1 3 314.430 -0.671 20 0 DBADHO CNC(=O)[C@H](CCCC[NH3+])NC(=O)C[C@@H]1CCNC[C@H]1F ZINC001157324093 832034205 /nfs/dbraw/zinc/03/42/05/832034205.db2.gz QUMXQVGFASAFQU-TUAOUCFPSA-N 1 3 302.394 -0.316 20 0 DBADHO N=C(NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)n1nnc2ccccc21 ZINC001157422281 832041884 /nfs/dbraw/zinc/04/18/84/832041884.db2.gz LHJKLRMMKIATDN-MEBBXXQBSA-N 1 3 313.365 -0.471 20 0 DBADHO Cc1cc(N(C(=N)N)C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)n[nH]1 ZINC001157439343 832042617 /nfs/dbraw/zinc/04/26/17/832042617.db2.gz FVGJYYWLCWONBA-SNVBAGLBSA-N 1 3 305.386 -0.181 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC001157496111 832047715 /nfs/dbraw/zinc/04/77/15/832047715.db2.gz BXNQGDYZABFADO-QWHCGFSZSA-N 1 3 312.414 -0.708 20 0 DBADHO COC(=O)N1CCN(C(=O)[C@@H](N)CCCC[NH+](C)C)CC1 ZINC001157508283 832049129 /nfs/dbraw/zinc/04/91/29/832049129.db2.gz RNVLNKHGBUHEOU-LBPRGKRZSA-N 1 3 300.403 -0.044 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)N1CCCCO1 ZINC001157681478 832056814 /nfs/dbraw/zinc/05/68/14/832056814.db2.gz KNPKEGBDVRBTAC-STQMWFEESA-N 1 3 312.414 -0.012 20 0 DBADHO CN(C[C@@H]1CNCCO1)C(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001157721460 832058446 /nfs/dbraw/zinc/05/84/46/832058446.db2.gz XZVZOBJOMOLZKZ-CABCVRRESA-N 1 3 310.442 -0.493 20 0 DBADHO COc1ccc([C@@H](N)CC(=O)N(C)C[C@@H]2C[NH2+]CCO2)cn1 ZINC001157716644 832058564 /nfs/dbraw/zinc/05/85/64/832058564.db2.gz QFALXMJNXKWYQC-STQMWFEESA-N 1 3 308.382 -0.073 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001157878253 832069269 /nfs/dbraw/zinc/06/92/69/832069269.db2.gz XXCHPWUJPXAXOE-UTLUCORTSA-N 1 3 307.316 -0.575 20 0 DBADHO O=C(N1C[C@H](CO)[C@@H](C(F)(F)F)C1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001157878315 832069491 /nfs/dbraw/zinc/06/94/91/832069491.db2.gz ZSUNMLMOCCFGOO-HNCHTBHHSA-N 1 3 321.343 -0.185 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157945871 832077927 /nfs/dbraw/zinc/07/79/27/832077927.db2.gz LWXLCWQSAFRCMY-KCQAQPDRSA-N 1 3 301.431 -0.363 20 0 DBADHO C[C@]1(CO)CCN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)N2)C[C@@H]1O ZINC001157947181 832077934 /nfs/dbraw/zinc/07/79/34/832077934.db2.gz RAUMKQQGJCLHCJ-VNHYZAJKSA-N 1 3 311.426 -0.548 20 0 DBADHO C[C@]1(CO)CCN(C(=O)[C@H]2CCC3(CCNCC3)[NH2+]2)C[C@@H]1O ZINC001157947181 832077937 /nfs/dbraw/zinc/07/79/37/832077937.db2.gz RAUMKQQGJCLHCJ-VNHYZAJKSA-N 1 3 311.426 -0.548 20 0 DBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158014913 832083654 /nfs/dbraw/zinc/08/36/54/832083654.db2.gz PJGZWYCJONYPIB-TUAOUCFPSA-N 1 3 313.373 -0.027 20 0 DBADHO COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158014913 832083658 /nfs/dbraw/zinc/08/36/58/832083658.db2.gz PJGZWYCJONYPIB-TUAOUCFPSA-N 1 3 313.373 -0.027 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC001158077315 832087113 /nfs/dbraw/zinc/08/71/13/832087113.db2.gz SYBFKPSXXDFJGE-PRWKNARSSA-N 1 3 303.428 -0.937 20 0 DBADHO O=C([C@@H]1CNCc2ccnn2C1)N1CCO[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001158168317 832095406 /nfs/dbraw/zinc/09/54/06/832095406.db2.gz UECBIRUPPLEXFE-YRGRVCCFSA-N 1 3 305.382 -0.951 20 0 DBADHO Cc1nc2c([nH]1)CCN(C(=O)[C@]13C[NH2+]C[C@H]1CNCC3)CC2 ZINC001158339566 832106303 /nfs/dbraw/zinc/10/63/03/832106303.db2.gz RJAHJHAJMJGXOD-MLGOLLRUSA-N 1 3 303.410 -0.156 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H]2c3ccccc3C[NH2+][C@@H]2C1 ZINC001158337482 832106938 /nfs/dbraw/zinc/10/69/38/832106938.db2.gz WAWGPRPRJWWNKD-LWWSYDQCSA-N 1 3 316.405 -0.064 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@H]3[NH2+]C[C@H]32)COC1(C)C ZINC001158422324 832111260 /nfs/dbraw/zinc/11/12/60/832111260.db2.gz KDUIAGXGIVTVEN-QCNOEVLYSA-N 1 3 310.398 -0.740 20 0 DBADHO CN1CCO[C@H]2CN(C(=O)[C@@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]21 ZINC001158802951 832137919 /nfs/dbraw/zinc/13/79/19/832137919.db2.gz CJIPITSCJLUKOX-MJBXVCDLSA-N 1 3 308.426 -0.598 20 0 DBADHO CN1CCO[C@H]2CN(C(=O)[C@@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]21 ZINC001158802951 832137922 /nfs/dbraw/zinc/13/79/22/832137922.db2.gz CJIPITSCJLUKOX-MJBXVCDLSA-N 1 3 308.426 -0.598 20 0 DBADHO CNC(=O)CN1CCCC12CCN(C(=O)[C@H]1CC[C@@H]1[NH3+])CC2 ZINC001158891349 832143121 /nfs/dbraw/zinc/14/31/21/832143121.db2.gz XNUVREZVEXRNSM-STQMWFEESA-N 1 3 308.426 -0.073 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001185659671 833804958 /nfs/dbraw/zinc/80/49/58/833804958.db2.gz NZWHSNCQNWEPOH-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H](NCC(=O)NC3CC3)C2)C1 ZINC001185659671 833804962 /nfs/dbraw/zinc/80/49/62/833804962.db2.gz NZWHSNCQNWEPOH-GXTWGEPZSA-N 1 3 308.426 -0.203 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCCS(C)(=O)=O)C1)N(C)C ZINC001185715380 833807672 /nfs/dbraw/zinc/80/76/72/833807672.db2.gz CYJMIDLOGRJERN-OLZOCXBDSA-N 1 3 319.471 -0.048 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001185716087 833808719 /nfs/dbraw/zinc/80/87/19/833808719.db2.gz PERTZTYDTCMVEV-NEPJUHHUSA-N 1 3 320.459 -0.934 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCn1cncn1 ZINC001270023201 832491504 /nfs/dbraw/zinc/49/15/04/832491504.db2.gz WNXCOGKEEBZNFV-UONOGXRCSA-N 1 3 306.414 -0.047 20 0 DBADHO C[N@@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)Cc4c[nH]cn4)CC3)[C@H]2C1 ZINC001270181003 832509936 /nfs/dbraw/zinc/50/99/36/832509936.db2.gz RDFJFRIMHUNDRA-STQMWFEESA-N 1 3 317.393 -0.379 20 0 DBADHO C[N@H+]1C[C@@H]2C(=O)NC3(CCN(C(=O)Cc4c[nH]cn4)CC3)[C@H]2C1 ZINC001270181003 832509940 /nfs/dbraw/zinc/50/99/40/832509940.db2.gz RDFJFRIMHUNDRA-STQMWFEESA-N 1 3 317.393 -0.379 20 0 DBADHO Cc1nn(C)cc1CNCCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001272307361 832770255 /nfs/dbraw/zinc/77/02/55/832770255.db2.gz PCIRGKRMVQGELB-AWEZNQCLSA-N 1 3 323.441 -0.409 20 0 DBADHO Cc1nn(C)cc1CNCCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272307361 832770257 /nfs/dbraw/zinc/77/02/57/832770257.db2.gz PCIRGKRMVQGELB-AWEZNQCLSA-N 1 3 323.441 -0.409 20 0 DBADHO CC(C)(C)N1CC[C@@](F)(C(=O)NC[C@H](O)C[NH2+]CCO)C1 ZINC001272520737 832793278 /nfs/dbraw/zinc/79/32/78/832793278.db2.gz KCKQNTJKZGGARQ-RISCZKNCSA-N 1 3 305.394 -0.742 20 0 DBADHO CCOC[C@@H]1CN(C(=O)[C@H](N)CCC[NH3+])Cc2cnn(C)c21 ZINC001159394918 832812968 /nfs/dbraw/zinc/81/29/68/832812968.db2.gz SQTSGLWBCNMXLI-QWHCGFSZSA-N 1 3 309.414 -0.051 20 0 DBADHO CN(C)C1(C(=O)NCCC[NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC001159854865 832850921 /nfs/dbraw/zinc/85/09/21/832850921.db2.gz UYVWBAUKYDGKBI-NSHDSACASA-N 1 3 310.398 -0.628 20 0 DBADHO CN(C)C1(C(=O)NCCC[NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC001159862184 832853389 /nfs/dbraw/zinc/85/33/89/832853389.db2.gz YXSIQVKSYQQPAD-CQSZACIVSA-N 1 3 323.441 -0.176 20 0 DBADHO CN(C)[C@@H](C(=O)NCCC[NH2+]C[C@@H](O)Cn1cccn1)C1CC1 ZINC001159932625 832860429 /nfs/dbraw/zinc/86/04/29/832860429.db2.gz TUZVAFAFJVUZRJ-HUUCEWRRSA-N 1 3 323.441 -0.320 20 0 DBADHO C[C@@H]([NH2+]CCCNC(=O)[C@H](C1CC1)N(C)C)C(=O)NC(N)=O ZINC001159931649 832860579 /nfs/dbraw/zinc/86/05/79/832860579.db2.gz HPJNKIDIHHIYHW-KOLCDFICSA-N 1 3 313.402 -0.994 20 0 DBADHO CN(C)[C@H](C(=O)NCCC[NH2+]CCCS(C)(=O)=O)C1CC1 ZINC001159932794 832860945 /nfs/dbraw/zinc/86/09/45/832860945.db2.gz VNLJCUCGVFIFFR-ZDUSSCGKSA-N 1 3 319.471 -0.143 20 0 DBADHO CN(C)CCN1CC2(CN(C[C@H]3CCC[N@H+](C)C3)C2)OCC1=O ZINC001273144895 832885287 /nfs/dbraw/zinc/88/52/87/832885287.db2.gz TZMMAUTURMJCGU-HNNXBMFYSA-N 1 3 324.469 -0.197 20 0 DBADHO CN(C)CCN1CC2(CN(C[C@H]3CCC[N@@H+](C)C3)C2)OCC1=O ZINC001273144895 832885295 /nfs/dbraw/zinc/88/52/95/832885295.db2.gz TZMMAUTURMJCGU-HNNXBMFYSA-N 1 3 324.469 -0.197 20 0 DBADHO CC(C)[C@@H](C(=O)NCCC[NH2+]CCN1CCNC1=O)N(C)C ZINC001160426990 832901964 /nfs/dbraw/zinc/90/19/64/832901964.db2.gz LMDPNRGWYFNAFR-ZDUSSCGKSA-N 1 3 313.446 -0.306 20 0 DBADHO CC[NH+](CC)C1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1 ZINC001160483582 832909807 /nfs/dbraw/zinc/90/98/07/832909807.db2.gz UAYQKPWJGQAMJE-CQSZACIVSA-N 1 3 310.442 -0.350 20 0 DBADHO CCOC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N)CSCC[NH3+] ZINC001160582586 832920032 /nfs/dbraw/zinc/92/00/32/832920032.db2.gz OYLKFAQEXHBUBS-QWRGUYRKSA-N 1 3 303.428 -0.050 20 0 DBADHO COC(=O)C[C@H]1CN(C(=O)[C@@H](N)CCCC[NH+](C)C)CCO1 ZINC001160595958 832923236 /nfs/dbraw/zinc/92/32/36/832923236.db2.gz JYEIVOBHKLUJCE-STQMWFEESA-N 1 3 315.414 -0.164 20 0 DBADHO Cc1ccnc(N2CCN(C(=O)[C@H]3C[NH2+]CC34CNC4)CC2)c1 ZINC001160603319 832924352 /nfs/dbraw/zinc/92/43/52/832924352.db2.gz VUUPRMWRNPFOKE-CQSZACIVSA-N 1 3 315.421 -0.152 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@@H]([NH3+])[C@@H](F)C2)COC1(C)C ZINC001160648321 832930045 /nfs/dbraw/zinc/93/00/45/832930045.db2.gz AETVIYVXYNLJIX-MMWGEVLESA-N 1 3 316.377 -0.805 20 0 DBADHO CC1(C)CN(C2CN(C(=O)[C@@H](N)CSCC[NH3+])C2)CCO1 ZINC001160663685 832932215 /nfs/dbraw/zinc/93/22/15/832932215.db2.gz UPLOBRLPSVTCMU-LBPRGKRZSA-N 1 3 316.471 -0.673 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160661487 832932503 /nfs/dbraw/zinc/93/25/03/832932503.db2.gz QHHDIFKTHPMPLR-LBPRGKRZSA-N 1 3 320.459 -0.758 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)N1CCO[C@@H](C(N)=O)C1 ZINC001160704535 832935389 /nfs/dbraw/zinc/93/53/89/832935389.db2.gz LNIVCEOHIKJTAB-NWDGAFQWSA-N 1 3 300.403 -0.805 20 0 DBADHO CCN(CC[NH2+][C@H]1CCC(=O)NC1=O)C(=O)[C@@H]1CCCCN1C ZINC001273555175 832937783 /nfs/dbraw/zinc/93/77/83/832937783.db2.gz WTOZWDOHLOHBCG-STQMWFEESA-N 1 3 324.425 -0.286 20 0 DBADHO O=C([C@@H]1C[NH2+]CC12CNC2)N1C[C@@H]2C[C@H]1[C@H](C(F)(F)F)O2 ZINC001160765652 832941942 /nfs/dbraw/zinc/94/19/42/832941942.db2.gz DNEHJGWXOKJJFD-AATLWQCWSA-N 1 3 305.300 -0.274 20 0 DBADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@H](N)CCC[NH3+] ZINC001160824834 832947275 /nfs/dbraw/zinc/94/72/75/832947275.db2.gz RPLLTNWDZSHQKR-PWSUYJOCSA-N 1 3 309.370 -0.535 20 0 DBADHO CCOC(=O)[C@@H]1c2n[nH]cc2CCN1C(=O)[C@@H](N)CCC[NH3+] ZINC001160824833 832947396 /nfs/dbraw/zinc/94/73/96/832947396.db2.gz RPLLTNWDZSHQKR-JQWIXIFHSA-N 1 3 309.370 -0.535 20 0 DBADHO COc1cccnc1N1CCN(C(=O)[C@@H](N)CCC[NH3+])CC1 ZINC001160847074 832949797 /nfs/dbraw/zinc/94/97/97/832949797.db2.gz WYPPFGMTRRXBKY-LBPRGKRZSA-N 1 3 307.398 -0.195 20 0 DBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC001160849648 832950452 /nfs/dbraw/zinc/95/04/52/832950452.db2.gz UAMZQRNMCDQUHS-CQSZACIVSA-N 1 3 320.441 -0.134 20 0 DBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC001160849648 832950456 /nfs/dbraw/zinc/95/04/56/832950456.db2.gz UAMZQRNMCDQUHS-CQSZACIVSA-N 1 3 320.441 -0.134 20 0 DBADHO CCNC(=O)CN1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273698682 832950977 /nfs/dbraw/zinc/95/09/77/832950977.db2.gz ADGHHDKHGHWMBX-INIZCTEOSA-N 1 3 324.425 -0.475 20 0 DBADHO COC(=O)c1cn2c(n1)CN(C(=O)[C@@H](N)CCCC[NH3+])CC2 ZINC001160901668 832958887 /nfs/dbraw/zinc/95/88/87/832958887.db2.gz DRHLIVGZPXDRIP-JTQLQIEISA-N 1 3 309.370 -0.532 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1C[C@H]([NH3+])CC(F)(F)C1 ZINC001160974087 832963506 /nfs/dbraw/zinc/96/35/06/832963506.db2.gz YEDCFUDPADHBTD-NGZCFLSTSA-N 1 3 306.357 -0.329 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@H]3COCCO3)C2)C1=O ZINC001273775435 832963683 /nfs/dbraw/zinc/96/36/83/832963683.db2.gz YZLBJWTVEMJPRV-HOCLYGCPSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@H]3COCCO3)C2)C1=O ZINC001273775435 832963687 /nfs/dbraw/zinc/96/36/87/832963687.db2.gz YZLBJWTVEMJPRV-HOCLYGCPSA-N 1 3 311.426 -0.112 20 0 DBADHO O=C(c1[nH]nc2c1CNCC2)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161010923 832965116 /nfs/dbraw/zinc/96/51/16/832965116.db2.gz NPNGSPNXBWMESZ-GFCCVEGCSA-N 1 3 305.382 -0.616 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161009372 832965499 /nfs/dbraw/zinc/96/54/99/832965499.db2.gz VGXIQXSWSFYIQQ-RWMBFGLXSA-N 1 3 324.425 -0.960 20 0 DBADHO CN(C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)[C@@H]1CCCC[C@H]1[NH3+] ZINC001161058289 832971198 /nfs/dbraw/zinc/97/11/98/832971198.db2.gz QZNKIMTUARUVNH-QJPTWQEYSA-N 1 3 315.439 -0.509 20 0 DBADHO CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H](N)C1CCC(O)CC1 ZINC001161158206 832986658 /nfs/dbraw/zinc/98/66/58/832986658.db2.gz RCHYOQMPASDMJO-YIZWMMSDSA-N 1 3 315.414 -0.395 20 0 DBADHO CCC[NH+]1C[C@H]2CN(C(=O)[C@H](N)CCCNC(N)=O)C[C@@H]2C1 ZINC001161174614 832988488 /nfs/dbraw/zinc/98/84/88/832988488.db2.gz ATLJOEKKANOPER-RWMBFGLXSA-N 1 3 311.430 -0.438 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(N)=O)[C@@H]1C ZINC001178814458 833525242 /nfs/dbraw/zinc/52/52/42/833525242.db2.gz SFLLIMNLNTYFAM-TUAOUCFPSA-N 1 3 302.394 -0.269 20 0 DBADHO C[C@H]1[C@@H](NCC(N)=O)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC001179025597 833533359 /nfs/dbraw/zinc/53/33/59/833533359.db2.gz TYYGMDFKTLZSES-JSGCOSHPSA-N 1 3 319.409 -0.028 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CCCO)CCN1C(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001179179187 833538206 /nfs/dbraw/zinc/53/82/06/833538206.db2.gz KIQZXARMLWLESX-JOYVLCIYSA-N 1 3 323.437 -0.189 20 0 DBADHO C[C@H]1[C@@H](NCC(=O)N(C)C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001179472162 833548547 /nfs/dbraw/zinc/54/85/47/833548547.db2.gz HSLGVKDGBLNEDS-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H]([NH2+]C[C@H](O)COC)[C@@H]1C ZINC001179763026 833557920 /nfs/dbraw/zinc/55/79/20/833557920.db2.gz FYLFLSRWZXNRND-IHRRRGAJSA-N 1 3 301.431 -0.086 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001179861441 833561488 /nfs/dbraw/zinc/56/14/88/833561488.db2.gz WJAXYHHDKDSHMU-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](NCC(=O)NC(N)=O)[C@@H]1C ZINC001179861441 833561492 /nfs/dbraw/zinc/56/14/92/833561492.db2.gz WJAXYHHDKDSHMU-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@@]1(C)C[NH2+]CC(N)=O ZINC001181754567 833642878 /nfs/dbraw/zinc/64/28/78/833642878.db2.gz CURFEVBDHBXHEQ-DIOULYMOSA-N 1 3 310.442 -0.114 20 0 DBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)CC1CC(=O)NC(=O)C1 ZINC001182179472 833663240 /nfs/dbraw/zinc/66/32/40/833663240.db2.gz JAOQXFAXGKRIQS-UHFFFAOYSA-N 1 3 311.386 -0.507 20 0 DBADHO CCN(CC)CCN(C(N)=[NH2+])C(=O)C1=C[C@@](C)(O)C=C[C@@H]1O ZINC001183547134 833722012 /nfs/dbraw/zinc/72/20/12/833722012.db2.gz JBSOFYDPYYAWSN-WFASDCNBSA-N 1 3 310.398 -0.342 20 0 DBADHO C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001185650285 833802893 /nfs/dbraw/zinc/80/28/93/833802893.db2.gz FKPGYKLPETVXCO-TZMCWYRMSA-N 1 3 308.426 -0.060 20 0 DBADHO C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H](NCC(=O)NC2CC2)C1 ZINC001185650285 833802896 /nfs/dbraw/zinc/80/28/96/833802896.db2.gz FKPGYKLPETVXCO-TZMCWYRMSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)C(=O)CN[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001186083179 833830076 /nfs/dbraw/zinc/83/00/76/833830076.db2.gz ULDYSNVAGAKHIF-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CC1CCN(CC(=O)N2CC[C@@H]([NH2+]CC(=O)N(C)C)C2)CC1 ZINC001186555725 833857214 /nfs/dbraw/zinc/85/72/14/833857214.db2.gz VWISZPHOCOCPSJ-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106560 833902251 /nfs/dbraw/zinc/90/22/51/833902251.db2.gz JYELNZCFUUKVLR-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(C)C(=O)CN[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187106560 833902253 /nfs/dbraw/zinc/90/22/53/833902253.db2.gz JYELNZCFUUKVLR-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(CCC[NH+]1CCCC1)N1CC[C@@H](N[C@@H]2CCNC2=O)C1 ZINC001188106649 833966710 /nfs/dbraw/zinc/96/67/10/833966710.db2.gz PWZLHDGGMQZUEO-ZIAGYGMSSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)[NH+]1CCC2(CC1)NC(=O)[C@@H]1CN(CC(=O)N(C)C)C[C@H]12 ZINC001277797590 833991125 /nfs/dbraw/zinc/99/11/25/833991125.db2.gz UICXZDWOQNSELB-ZIAGYGMSSA-N 1 3 322.453 -0.005 20 0 DBADHO COC(=O)CCS(=O)(=O)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238242228 834349749 /nfs/dbraw/zinc/34/97/49/834349749.db2.gz NUQYUHVYXTXMHS-NSHDSACASA-N 1 3 319.427 -0.657 20 0 DBADHO COC(=O)CCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238242228 834349760 /nfs/dbraw/zinc/34/97/60/834349760.db2.gz NUQYUHVYXTXMHS-NSHDSACASA-N 1 3 319.427 -0.657 20 0 DBADHO O=S(=O)(C[C@@H]1CCCO1)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238239180 834350233 /nfs/dbraw/zinc/35/02/33/834350233.db2.gz CCYQQHKPLWKRDP-OLZOCXBDSA-N 1 3 317.455 -0.041 20 0 DBADHO O=S(=O)(C[C@@H]1CCCO1)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238239180 834350243 /nfs/dbraw/zinc/35/02/43/834350243.db2.gz CCYQQHKPLWKRDP-OLZOCXBDSA-N 1 3 317.455 -0.041 20 0 DBADHO O=S(=O)(CC1CC[NH2+]CC1)NC[C@@H]1CC[C@@H]2NCCO[C@H]12 ZINC001238325596 834351245 /nfs/dbraw/zinc/35/12/45/834351245.db2.gz JSCAFAKUKBTYHR-MELADBBJSA-N 1 3 317.455 -0.328 20 0 DBADHO CC(C)(C)OC(=O)[C@H](CCC[NH3+])[N-]S(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238454472 834356539 /nfs/dbraw/zinc/35/65/39/834356539.db2.gz AOBQIDHIQYSMAE-QWRGUYRKSA-N 1 3 321.443 -0.283 20 0 DBADHO COC(=O)[C@H]([N-]S(=O)(=O)C1CC[NH2+]CC1)C1CC[NH2+]CC1 ZINC001238705282 834362965 /nfs/dbraw/zinc/36/29/65/834362965.db2.gz AFBSDSLEKCWSNY-GFCCVEGCSA-N 1 3 319.427 -0.801 20 0 DBADHO O=S(=O)([N-][C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC001238760646 834363437 /nfs/dbraw/zinc/36/34/37/834363437.db2.gz MMPLKERSYMEAJO-HRDYMLBCSA-N 1 3 301.334 -0.192 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1)N(C)C ZINC001192387589 834366585 /nfs/dbraw/zinc/36/65/85/834366585.db2.gz XLFKWUSCFXENOB-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1)N(C)C ZINC001192387589 834366599 /nfs/dbraw/zinc/36/65/99/834366599.db2.gz XLFKWUSCFXENOB-KBPBESRZSA-N 1 3 301.431 -0.132 20 0 DBADHO COC(=O)[C@H]([N-]S(=O)(=O)CC1CC[NH2+]CC1)[C@H]1CC[NH2+]C1 ZINC001238896861 834369137 /nfs/dbraw/zinc/36/91/37/834369137.db2.gz CLBBEKRVBIDRCJ-NWDGAFQWSA-N 1 3 319.427 -0.944 20 0 DBADHO COC(=O)CCNC(=S)NC[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001239363434 834396130 /nfs/dbraw/zinc/39/61/30/834396130.db2.gz NCAHBAQYVWNSKA-NSHDSACASA-N 1 3 314.455 -0.112 20 0 DBADHO CCOC(=O)[C@H]1CNCCN1C[C@@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC001246029888 834411568 /nfs/dbraw/zinc/41/15/68/834411568.db2.gz MYRKDOGYOSRCAL-ARFHVFGLSA-N 1 3 321.421 -0.246 20 0 DBADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CO1 ZINC001246084516 834416440 /nfs/dbraw/zinc/41/64/40/834416440.db2.gz TUTWSMRWSJFNAJ-NRWUCQMLSA-N 1 3 304.362 -0.251 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@H](NC2CN(C3CC[NH2+]CC3)C2)CN1 ZINC001246219326 834424941 /nfs/dbraw/zinc/42/49/41/834424941.db2.gz WZTNGJGONNWPTB-WFASDCNBSA-N 1 3 310.442 -0.304 20 0 DBADHO CCOC(=O)[C@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CO1 ZINC001246412235 834434641 /nfs/dbraw/zinc/43/46/41/834434641.db2.gz ADYOVDNWIVBODJ-GRYCIOLGSA-N 1 3 301.387 -0.330 20 0 DBADHO CC(C)(C)OC(=O)[C@H](N)C1CN([C@@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246495416 834438493 /nfs/dbraw/zinc/43/84/93/834438493.db2.gz PDYAQNHCYDLXNE-CHWSQXEVSA-N 1 3 310.442 -0.319 20 0 DBADHO CC(C)(C)OC(=O)[C@@H](N)C1CN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246495422 834438652 /nfs/dbraw/zinc/43/86/52/834438652.db2.gz PDYAQNHCYDLXNE-STQMWFEESA-N 1 3 310.442 -0.319 20 0 DBADHO N[C@@H]1CN([C@H]2C[NH2+][C@H](C(=O)N3CCSC3)C2)CC[C@H]1F ZINC001246833643 834456840 /nfs/dbraw/zinc/45/68/40/834456840.db2.gz GAOWOSTVIRRMSK-KKOKHZNYSA-N 1 3 302.419 -0.379 20 0 DBADHO COC(=O)[C@@H]1CC[C@H](N2CCC(N3CC[C@@H]([NH3+])C3)CC2)CN1 ZINC001246979235 834465307 /nfs/dbraw/zinc/46/53/07/834465307.db2.gz XWUOTSLUPHASMM-SNPRPXQTSA-N 1 3 310.442 -0.223 20 0 DBADHO COC(=O)[C@@H]1C[C@@H](N2CCC(N3CCC([NH3+])CC3)CC2)CN1 ZINC001246970837 834465676 /nfs/dbraw/zinc/46/56/76/834465676.db2.gz WVLVOJUTGFEJLC-CABCVRRESA-N 1 3 310.442 -0.223 20 0 DBADHO COC(=O)[C@@]12CC[NH2+][C@H]1CN(C1C[C@@H]3COC[C@H](C1)N3)CC2 ZINC001246988732 834467008 /nfs/dbraw/zinc/46/70/08/834467008.db2.gz QDQNBVBEFYFMOP-QNWIWCQQSA-N 1 3 309.410 -0.267 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1C[NH2+]CCC[C@@H]1F)O3 ZINC001247006814 834467735 /nfs/dbraw/zinc/46/77/35/834467735.db2.gz AICUWSSLPVIKSJ-MOLYVOAJSA-N 1 3 319.402 -0.779 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@@H]1N1C[C@@]23CNC[C@@H](C[C@@H]2S1(=O)=O)O3 ZINC001247007093 834467918 /nfs/dbraw/zinc/46/79/18/834467918.db2.gz DYVSIDIOWUGRSO-BNDIWNMDSA-N 1 3 301.412 -0.871 20 0 DBADHO O=C1CO[C@@H](CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252945438 834556380 /nfs/dbraw/zinc/55/63/80/834556380.db2.gz COCQXISATYYPPJ-RDJZCZTQSA-N 1 3 319.405 -0.272 20 0 DBADHO O=C1CO[C@@H](CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252945438 834556384 /nfs/dbraw/zinc/55/63/84/834556384.db2.gz COCQXISATYYPPJ-RDJZCZTQSA-N 1 3 319.405 -0.272 20 0 DBADHO CNC(=O)CN1CCC(NC[C@H](O)C[NH2+]C(C)(C)C)CC1 ZINC001253408670 834569979 /nfs/dbraw/zinc/56/99/79/834569979.db2.gz HHAGTIULQLATJV-ZDUSSCGKSA-N 1 3 300.447 -0.465 20 0 DBADHO NCCC[NH2+]CCCCn1cc(-c2c[nH]c(=O)[nH]c2=O)nn1 ZINC001254162629 834590304 /nfs/dbraw/zinc/59/03/04/834590304.db2.gz FZHBQBBLEBXPHR-UHFFFAOYSA-N 1 3 307.358 -0.135 20 0 DBADHO O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C(=O)N1CCCNCC1 ZINC001261635884 834823948 /nfs/dbraw/zinc/82/39/48/834823948.db2.gz RVTMQBACANCZPN-CQSZACIVSA-N 1 3 324.425 -0.822 20 0 DBADHO C[NH+]1CCC(OCC(=O)N[C@@H]2CN(CC3CC3)C[C@H]2O)CC1 ZINC001197320262 834855769 /nfs/dbraw/zinc/85/57/69/834855769.db2.gz VWMLJKFFUOTRKG-HUUCEWRRSA-N 1 3 311.426 -0.332 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)F ZINC001261858160 834865148 /nfs/dbraw/zinc/86/51/48/834865148.db2.gz HNNIUWGTEFNTEG-UHFFFAOYSA-N 1 3 304.410 -0.198 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC001262062360 834900426 /nfs/dbraw/zinc/90/04/26/834900426.db2.gz XEVTWRXSYQQMIL-UHFFFAOYSA-N 1 3 314.430 -0.543 20 0 DBADHO COC[C@H](O)CN1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001197817541 834906307 /nfs/dbraw/zinc/90/63/07/834906307.db2.gz LOVHWVDSAQTEJJ-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO COC[C@H](O)CN1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001197817541 834906314 /nfs/dbraw/zinc/90/63/14/834906314.db2.gz LOVHWVDSAQTEJJ-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO CN1CCN(CCCCNC(=O)C[C@]2(O)CCC[NH2+]C2)CC1 ZINC001263103371 834972549 /nfs/dbraw/zinc/97/25/49/834972549.db2.gz XJEQUTDMBYONEA-MRXNPFEDSA-N 1 3 312.458 -0.365 20 0 DBADHO CCN(CCCNC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCNC1=O ZINC001265142884 835100173 /nfs/dbraw/zinc/10/01/73/835100173.db2.gz SRKORSQTJBVEAI-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1CCC([NH2+]CCCO)CC1 ZINC001200657724 835144043 /nfs/dbraw/zinc/14/40/43/835144043.db2.gz AFIMHNIWGKIELV-HUUCEWRRSA-N 1 3 311.426 -0.187 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCCO[C@@H](CNCC(N)=O)C1)[NH+](C)C ZINC001200736540 835148591 /nfs/dbraw/zinc/14/85/91/835148591.db2.gz BBTAAGYFYWJACM-JSGCOSHPSA-N 1 3 314.430 -0.735 20 0 DBADHO CC[C@H](C(=O)N1CCC([NH2+]CCOCCO)CC1)N(C)C ZINC001201238646 835177431 /nfs/dbraw/zinc/17/74/31/835177431.db2.gz CGJZXOOBTNZDHB-CQSZACIVSA-N 1 3 301.431 -0.084 20 0 DBADHO C[NH+](C)CCC(=O)N1CCCO[C@H](CN[C@@H]2CCNC2=O)C1 ZINC001201333776 835184013 /nfs/dbraw/zinc/18/40/13/835184013.db2.gz COCFLELYDCNSIZ-CHWSQXEVSA-N 1 3 312.414 -0.966 20 0 DBADHO CC[C@@H](C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1)N(C)C ZINC001201410295 835189419 /nfs/dbraw/zinc/18/94/19/835189419.db2.gz FZPZVWOSKTWBRF-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CCCO[C@H](C[NH2+]CCCO)C2)C1 ZINC001201403671 835189484 /nfs/dbraw/zinc/18/94/84/835189484.db2.gz ONHKPXNINCFRSS-HUUCEWRRSA-N 1 3 313.442 -0.082 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001201679079 835202489 /nfs/dbraw/zinc/20/24/89/835202489.db2.gz SGDPIKWRLWGMJA-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001201864650 835214840 /nfs/dbraw/zinc/21/48/40/835214840.db2.gz YFGUMCUZZZWGOP-STQMWFEESA-N 1 3 312.414 -0.979 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N2CCCO[C@@H](CNCC(N)=O)C2)C1 ZINC001201864650 835214847 /nfs/dbraw/zinc/21/48/47/835214847.db2.gz YFGUMCUZZZWGOP-STQMWFEESA-N 1 3 312.414 -0.979 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001201864647 835215013 /nfs/dbraw/zinc/21/50/13/835215013.db2.gz YFGUMCUZZZWGOP-CHWSQXEVSA-N 1 3 312.414 -0.979 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N2CCCO[C@H](CNCC(N)=O)C2)C1 ZINC001201864647 835215018 /nfs/dbraw/zinc/21/50/18/835215018.db2.gz YFGUMCUZZZWGOP-CHWSQXEVSA-N 1 3 312.414 -0.979 20 0 DBADHO CNC(=O)CNC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201873133 835215965 /nfs/dbraw/zinc/21/59/65/835215965.db2.gz VDSDCORBHOHVOG-ZDUSSCGKSA-N 1 3 324.425 -0.965 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001201932024 835220849 /nfs/dbraw/zinc/22/08/49/835220849.db2.gz REHGHABWNORYBM-OLZOCXBDSA-N 1 3 314.430 -0.591 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@@H](C[NH2+]C[C@@H](C)O)C1 ZINC001202163257 835236083 /nfs/dbraw/zinc/23/60/83/835236083.db2.gz FEBGDCFGNSNJIG-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@@H](C)O)C1 ZINC001202163260 835236297 /nfs/dbraw/zinc/23/62/97/835236297.db2.gz FEBGDCFGNSNJIG-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001202163258 835236400 /nfs/dbraw/zinc/23/64/00/835236400.db2.gz FEBGDCFGNSNJIG-UONOGXRCSA-N 1 3 301.431 -0.086 20 0 DBADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN2CC[C@H](C)C2)CC1 ZINC001202496726 835251748 /nfs/dbraw/zinc/25/17/48/835251748.db2.gz WDWDZRQPMWOGHX-DZGCQCFKSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H]([NH2+]C1CCN(C(=O)Cc2c[nH]cn2)CC1)C(=O)NC(N)=O ZINC001202674327 835261059 /nfs/dbraw/zinc/26/10/59/835261059.db2.gz SKIDONHIONKTAP-VIFPVBQESA-N 1 3 322.369 -0.884 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)C1CC1 ZINC001266439053 835308236 /nfs/dbraw/zinc/30/82/36/835308236.db2.gz HDEYVUQHHIKNOI-OLZOCXBDSA-N 1 3 324.425 -0.382 20 0 DBADHO C[C@]1(c2nc(-c3ccc4c(n3)CCNC4)no2)C[NH2+]C[C@H]1O ZINC001204856057 835329609 /nfs/dbraw/zinc/32/96/09/835329609.db2.gz FCRWIUUNYJPHNJ-DOMZBBRYSA-N 1 3 301.350 -0.001 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001266542311 835333851 /nfs/dbraw/zinc/33/38/51/835333851.db2.gz OGXQTVLILANNFR-UONOGXRCSA-N 1 3 308.426 -0.203 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1 ZINC001266634801 835349364 /nfs/dbraw/zinc/34/93/64/835349364.db2.gz GJHLNGUHTHHRFQ-JOCQHMNTSA-N 1 3 324.425 -0.286 20 0 DBADHO CN(CCN[C@H]1CCC(=O)NC1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001266702363 835363884 /nfs/dbraw/zinc/36/38/84/835363884.db2.gz YRQXLSMUMDUPQG-STQMWFEESA-N 1 3 322.409 -0.819 20 0 DBADHO CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001266798882 835385503 /nfs/dbraw/zinc/38/55/03/835385503.db2.gz XEJTTZOKJOQCOW-GFCCVEGCSA-N 1 3 324.425 -0.286 20 0 DBADHO CCNC(=O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206401310 835394232 /nfs/dbraw/zinc/39/42/32/835394232.db2.gz FMKLTZXJXBJCRY-UHFFFAOYSA-N 1 3 307.398 -0.084 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001266904630 835404306 /nfs/dbraw/zinc/40/43/06/835404306.db2.gz GGNRZVBFECFVSI-MOWSAHLDSA-N 1 3 322.409 -0.822 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21)N(C)C ZINC001266904630 835404309 /nfs/dbraw/zinc/40/43/09/835404309.db2.gz GGNRZVBFECFVSI-MOWSAHLDSA-N 1 3 322.409 -0.822 20 0 DBADHO CN(C)C(=O)C[NH2+]CC1CCN(C(=O)CN2CCCC2)CC1 ZINC001206929183 835438219 /nfs/dbraw/zinc/43/82/19/835438219.db2.gz XUXRJNOLVXJOTJ-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)CCOCCO)C1 ZINC001267670370 835558330 /nfs/dbraw/zinc/55/83/30/835558330.db2.gz NJGIFMVBRFYPIZ-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[N@@H+](C)CCOCCO)C1 ZINC001267670370 835558336 /nfs/dbraw/zinc/55/83/36/835558336.db2.gz NJGIFMVBRFYPIZ-HUUCEWRRSA-N 1 3 313.442 -0.130 20 0 DBADHO C[C@H](CNC(=O)CN(C)C1CCC1)C[NH2+][C@H]1CCC(=O)NC1=O ZINC001267989902 835617214 /nfs/dbraw/zinc/61/72/14/835617214.db2.gz OWCMMEOAPSBSJT-AAEUAGOBSA-N 1 3 324.425 -0.382 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC001268334373 835670648 /nfs/dbraw/zinc/67/06/48/835670648.db2.gz YSKQSNBPNAIZRT-STQMWFEESA-N 1 3 310.398 -0.246 20 0 DBADHO C[C@@H](CC[NH2+][C@@H]1CCC(=O)NC1=O)NC(=O)CN(C)C1CCC1 ZINC001268375206 835679860 /nfs/dbraw/zinc/67/98/60/835679860.db2.gz ZYNNLPLQTJAVOL-WCQYABFASA-N 1 3 324.425 -0.240 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@H](C)CC[NH2+]CCN1CCNC1=O ZINC001268419500 835688851 /nfs/dbraw/zinc/68/88/51/835688851.db2.gz OZONXQQRMQYUOX-LLVKDONJSA-N 1 3 322.413 -0.230 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCN1CCCC1=O ZINC001268524859 835717758 /nfs/dbraw/zinc/71/77/58/835717758.db2.gz WEQKHYORYMYUDY-HSWBROFVSA-N 1 3 308.426 -0.035 20 0 DBADHO CC(C)[C@@H](C(=O)NC/C=C/CNCC(=O)NC(N)=O)[NH+](C)C ZINC001268616572 835756059 /nfs/dbraw/zinc/75/60/59/835756059.db2.gz NRPVJQCFTPKUOL-FYJFLYSWSA-N 1 3 313.402 -0.971 20 0 DBADHO O=C(CN1CCCC1)NC/C=C\C[NH2+]CCN1CCCC1=O ZINC001268625059 835757772 /nfs/dbraw/zinc/75/77/72/835757772.db2.gz KDYSXGQDHHLJIY-UPHRSURJSA-N 1 3 308.426 -0.033 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCC(=O)NC)C1 ZINC001485647891 1013311009 /nfs/dbraw/zinc/31/10/09/1013311009.db2.gz VLMNYYXRFRHBSY-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCC(=O)NC)C1 ZINC001485647891 1013311013 /nfs/dbraw/zinc/31/10/13/1013311013.db2.gz VLMNYYXRFRHBSY-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCN1C(=O)CCC1=O ZINC001485927634 1013436277 /nfs/dbraw/zinc/43/62/77/1013436277.db2.gz RCCLJIPNDFVUQM-NSHDSACASA-N 1 3 321.381 -0.462 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC001486233847 1013724747 /nfs/dbraw/zinc/72/47/47/1013724747.db2.gz OIVYKLQXBFUVHD-VXGBXAGGSA-N 1 3 316.421 -0.022 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CC[C@H](C)C2)CC1(C)C ZINC001486243145 1013726781 /nfs/dbraw/zinc/72/67/81/1013726781.db2.gz QOSCEPVXAUKGIT-QWHCGFSZSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001486312219 1013806011 /nfs/dbraw/zinc/80/60/11/1013806011.db2.gz SOHXYCATDQKJOO-RYUDHWBXSA-N 1 3 316.446 -0.753 20 0 DBADHO CN(C[C@H](O)CNCc1cnn(C)c1)C(=O)C12CC[NH+](CC1)C2 ZINC001486312333 1013806530 /nfs/dbraw/zinc/80/65/30/1013806530.db2.gz XMYRCQMGKMPSEP-CQSZACIVSA-N 1 3 321.425 -0.575 20 0 DBADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051931388 977565321 /nfs/dbraw/zinc/56/53/21/977565321.db2.gz ZOSMCASYBMFTPZ-HIFRSBDPSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1nccc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931388 977565327 /nfs/dbraw/zinc/56/53/27/977565327.db2.gz ZOSMCASYBMFTPZ-HIFRSBDPSA-N 1 3 321.425 -0.311 20 0 DBADHO CN(CCNC(=O)C1(C[NH+](C)C)CC1)C(=O)CN1CCCC1 ZINC001528574426 1014441429 /nfs/dbraw/zinc/44/14/29/1014441429.db2.gz JFAMEZCOTDOANN-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO CNC(=O)CN[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001208055688 978310982 /nfs/dbraw/zinc/31/09/82/978310982.db2.gz CDTXBGPPAPNJPJ-KGLIPLIRSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@@H+]1CC[C@@H]2CN(C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C[C@@H]2C1 ZINC001209272655 978441249 /nfs/dbraw/zinc/44/12/49/978441249.db2.gz JDSYIDQRIJSKAM-QKGCVVFFSA-N 1 3 314.426 -0.257 20 0 DBADHO C[N@H+]1CC[C@@H]2CN(C[C@@H]3OC(C)(C)O[C@@H]3[C@H](O)CO)C[C@@H]2C1 ZINC001209272655 978441256 /nfs/dbraw/zinc/44/12/56/978441256.db2.gz JDSYIDQRIJSKAM-QKGCVVFFSA-N 1 3 314.426 -0.257 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210219096 978502156 /nfs/dbraw/zinc/50/21/56/978502156.db2.gz SSFCGOHZSNWMQY-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673798 978525831 /nfs/dbraw/zinc/52/58/31/978525831.db2.gz IDHNGMCNLJERQF-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CN[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210673798 978525838 /nfs/dbraw/zinc/52/58/38/978525838.db2.gz IDHNGMCNLJERQF-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001210811189 978532840 /nfs/dbraw/zinc/53/28/40/978532840.db2.gz KWKSEGWEDHWUME-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H]2CCCN2C)C[C@H]1[NH2+]CC(=O)NC1CC1 ZINC001214343847 978726263 /nfs/dbraw/zinc/72/62/63/978726263.db2.gz IDJPCEOSTYKFPU-BNOWGMLFSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1NCC(=O)N(C)C ZINC001214645735 978746586 /nfs/dbraw/zinc/74/65/86/978746586.db2.gz GRVJEFVEMUESSM-VHDGCEQUSA-N 1 3 322.453 -0.147 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001214952835 978757509 /nfs/dbraw/zinc/75/75/09/978757509.db2.gz OQFGYEAHXHGMST-AAVRWANBSA-N 1 3 301.431 -0.230 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CN(C(=O)CN2CCC(C)(C)C2)C[C@H]1C ZINC001215551230 978772393 /nfs/dbraw/zinc/77/23/93/978772393.db2.gz OCOSXOODUANLAL-CHWSQXEVSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)N(C)C ZINC001215536138 978773156 /nfs/dbraw/zinc/77/31/56/978773156.db2.gz JTYJVHKBUJXEPS-HZSPNIEDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CCC[C@H]2C)C[C@H]1[NH2+]CCOCCO ZINC001215535958 978773407 /nfs/dbraw/zinc/77/34/07/978773407.db2.gz AICDQVYOMJICNM-RBSFLKMASA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H]1CN(C(=O)CN2CC[C@H](C)C2)C[C@H]1[NH2+]CCOCCO ZINC001215540582 978773641 /nfs/dbraw/zinc/77/36/41/978773641.db2.gz MUTZOPNFACNAGE-RRFJBIMHSA-N 1 3 313.442 -0.226 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CCOCCO)C1 ZINC001216852352 978795825 /nfs/dbraw/zinc/79/58/25/978795825.db2.gz WBEAXRQZWYRQLS-ZIAGYGMSSA-N 1 3 301.431 -0.228 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC1CC[NH2+]CC1 ZINC001217964244 978819456 /nfs/dbraw/zinc/81/94/56/978819456.db2.gz OPTDXFDHVSTWML-UHFFFAOYSA-N 1 3 324.381 -0.109 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@H]2CC[NH2+][C@H]3CCO[C@@H]32)cc1 ZINC001218160342 978820222 /nfs/dbraw/zinc/82/02/22/978820222.db2.gz MALGLNCIMAPNDH-AJNGGQMLSA-N 1 3 305.378 -0.060 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(OC[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC001218072902 978821237 /nfs/dbraw/zinc/82/12/37/978821237.db2.gz HYCIGAFWBIJANR-KBPBESRZSA-N 1 3 305.378 -0.059 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CCC[NH2+]C1 ZINC001218281925 978822396 /nfs/dbraw/zinc/82/23/96/978822396.db2.gz MXYWPQLDUGYMLG-VIFPVBQESA-N 1 3 324.381 -0.109 20 0 DBADHO CN1CCN(c2ccc(NC(=O)CNCCC[NH3+])nc2)CC1 ZINC001218515162 978826940 /nfs/dbraw/zinc/82/69/40/978826940.db2.gz BWRUTCDKLUZYCB-UHFFFAOYSA-N 1 3 306.414 -0.290 20 0 DBADHO [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3COC4(CNC4)CN3)sc2C1 ZINC001218531771 978829735 /nfs/dbraw/zinc/82/97/35/978829735.db2.gz AVQJFUSCNWGYAL-WCBMZHEXSA-N 1 3 323.422 -0.772 20 0 DBADHO C[NH+](C)CCC(=O)N1CCO[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]21 ZINC001218600015 978835944 /nfs/dbraw/zinc/83/59/44/978835944.db2.gz FGZGSRUZRSHPJL-SOUVJXGZSA-N 1 3 311.426 -0.114 20 0 DBADHO CCOC(=O)c1cc(NC(=O)[C@H](N)C2CC[NH2+]CC2)n(C)n1 ZINC001218637035 978839060 /nfs/dbraw/zinc/83/90/60/978839060.db2.gz OIMVAFZKLFLHOL-GFCCVEGCSA-N 1 3 309.370 -0.138 20 0 DBADHO Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218662631 978841902 /nfs/dbraw/zinc/84/19/02/978841902.db2.gz ZPTUSRCPNPTUAG-JTQLQIEISA-N 1 3 324.406 -0.459 20 0 DBADHO Cc1nc(S(C)(=O)=O)ccc1NC(=O)[C@@H]1CNCC12C[NH2+]C2 ZINC001218662631 978841906 /nfs/dbraw/zinc/84/19/06/978841906.db2.gz ZPTUSRCPNPTUAG-JTQLQIEISA-N 1 3 324.406 -0.459 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccc(O[C@@H]2CC[NH2+]C2)nc1 ZINC001218726786 978847905 /nfs/dbraw/zinc/84/79/05/978847905.db2.gz IYJKWKOGFNRSHF-JBLDHEPKSA-N 1 3 321.381 -0.387 20 0 DBADHO COC(=O)c1ccc(OC)nc1NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218790846 978853319 /nfs/dbraw/zinc/85/33/19/978853319.db2.gz WDGJXPYBVQJJTK-JTQLQIEISA-N 1 3 320.349 -0.376 20 0 DBADHO COC(=O)Cc1ccc(O)c(NC(=O)[C@H]2C[NH2+]CC23CNC3)c1 ZINC001218868525 978856734 /nfs/dbraw/zinc/85/67/34/978856734.db2.gz BYLKZRDNWFNULP-LLVKDONJSA-N 1 3 319.361 -0.145 20 0 DBADHO Nc1ccc(OCCO)c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)c1 ZINC001218917892 978859780 /nfs/dbraw/zinc/85/97/80/978859780.db2.gz BMLJYHJJIUSULJ-BDJLRTHQSA-N 1 3 320.393 -0.223 20 0 DBADHO O=C(Nc1ccc2c(c1)CC[NH2+]CC2)[C@H]1COC2(CNC2)CN1 ZINC001218936668 978861053 /nfs/dbraw/zinc/86/10/53/978861053.db2.gz DAFDBHNKHBEMHC-OAHLLOKOSA-N 1 3 316.405 -0.356 20 0 DBADHO O=C(Nc1ccc2c(c1)CCNC2=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001218934290 978861173 /nfs/dbraw/zinc/86/11/73/978861173.db2.gz AJXDFFWJWIZELY-ZDUSSCGKSA-N 1 3 300.362 -0.280 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611387 978978918 /nfs/dbraw/zinc/97/89/18/978978918.db2.gz YLQREUBQEKXTRP-AUTRQRHGSA-N 1 3 322.331 -0.265 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219611154 978979595 /nfs/dbraw/zinc/97/95/95/978979595.db2.gz WROIBCSFPYPVQR-OIBJUYFYSA-N 1 3 311.308 -0.827 20 0 DBADHO Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[NH2+]CC13CNC3)C(=O)N2 ZINC001219687586 978995734 /nfs/dbraw/zinc/99/57/34/978995734.db2.gz UGMDFGVYGSMLCM-WCQYABFASA-N 1 3 300.362 -0.087 20 0 DBADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)[C@H]1CNCc2ccnn2C1 ZINC001219736891 979002735 /nfs/dbraw/zinc/00/27/35/979002735.db2.gz KOPCSZUGJRVUDE-AAEUAGOBSA-N 1 3 305.382 -0.903 20 0 DBADHO O=C(NC[C@H]1CC2(C[NH2+]C2)CO1)[C@H]1CNCc2ccnn2C1 ZINC001219736893 979003018 /nfs/dbraw/zinc/00/30/18/979003018.db2.gz KOPCSZUGJRVUDE-WCQYABFASA-N 1 3 305.382 -0.903 20 0 DBADHO NC1(C(=O)NC[C@H]2CC3(C[NH2+]C3)CO2)Cc2ccccc2C1 ZINC001219737004 979003098 /nfs/dbraw/zinc/00/30/98/979003098.db2.gz MMLDZUZTYHIYAI-CQSZACIVSA-N 1 3 301.390 -0.023 20 0 DBADHO CC(C)C[C@H](N)C(=O)NCC(=O)NC[C@]1(F)CCC[NH2+]C1 ZINC001219767720 979010131 /nfs/dbraw/zinc/01/01/31/979010131.db2.gz CTBZGLODQOPUKK-FZMZJTMJSA-N 1 3 302.394 -0.316 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219799959 979016636 /nfs/dbraw/zinc/01/66/36/979016636.db2.gz FDXHMDVRFVVAPO-YPMHNXCESA-N 1 3 307.398 -0.825 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219800640 979018089 /nfs/dbraw/zinc/01/80/89/979018089.db2.gz LZOZLMDOTPAJLS-XQQFMLRXSA-N 1 3 324.425 -0.791 20 0 DBADHO O=C(NCC[C@H]1CCOC12C[NH2+]C2)c1[nH]nc2c1CNCC2 ZINC001219803278 979019449 /nfs/dbraw/zinc/01/94/49/979019449.db2.gz PECWBGFNFVTELB-JTQLQIEISA-N 1 3 305.382 -0.446 20 0 DBADHO O=C(N[C@@H]1CC[NH2+][C@H]1c1ccccc1)[C@H]1COC2(CNC2)CN1 ZINC001219816355 979023682 /nfs/dbraw/zinc/02/36/82/979023682.db2.gz IYKRIYHSQOVPQX-KFWWJZLASA-N 1 3 316.405 -0.464 20 0 DBADHO O=C(NC[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[C@@]2(C1)CNCCO2 ZINC001219813605 979023811 /nfs/dbraw/zinc/02/38/11/979023811.db2.gz WWHCUGXEFPIVNM-BFJAYTPKSA-N 1 3 309.410 -0.503 20 0 DBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N[C@H]1CNCc2ccsc21 ZINC001219825259 979026078 /nfs/dbraw/zinc/02/60/78/979026078.db2.gz GFZINVDMBNGKQK-STQMWFEESA-N 1 3 323.466 -0.241 20 0 DBADHO NC1(C(=O)NC[C@H]2C[C@@H]3C[NH2+]C[C@@H]3O2)Cc2ccccc2C1 ZINC001219831533 979026574 /nfs/dbraw/zinc/02/65/74/979026574.db2.gz NURKSRNRLOTACI-KFWWJZLASA-N 1 3 301.390 -0.024 20 0 DBADHO O=C(NC[C@@H]1CO[C@@]2(C1)C[NH2+]CCOC2)[C@H]1CNC[C@@H](F)C1 ZINC001219835250 979027778 /nfs/dbraw/zinc/02/77/78/979027778.db2.gz ZULSTOMWNWZSAV-CXTNEJHOSA-N 1 3 315.389 -0.555 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)C1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001219847678 979030897 /nfs/dbraw/zinc/03/08/97/979030897.db2.gz OVOTZQIQJFCERG-YHUYYLMFSA-N 1 3 322.453 -0.304 20 0 DBADHO O=C(NC[C@H](O)COc1ccccc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219918114 979042224 /nfs/dbraw/zinc/04/22/24/979042224.db2.gz FEACCPZNGHSRAK-JSGCOSHPSA-N 1 3 305.378 -0.649 20 0 DBADHO COC(=O)[C@@H](NC(=O)[C@@H](N)CCCC[NH3+])C1CCOCC1 ZINC001220025422 979069024 /nfs/dbraw/zinc/06/90/24/979069024.db2.gz PGYUJXFSXMZCTQ-RYUDHWBXSA-N 1 3 301.387 -0.473 20 0 DBADHO Cc1ncc(C[NH3+])c(=N)n1C(=O)CN1CCCC[C@H](N)C1=O ZINC001220043392 979074824 /nfs/dbraw/zinc/07/48/24/979074824.db2.gz PPVGDAHHRJQTPO-NSHDSACASA-N 1 3 306.370 -0.890 20 0 DBADHO C[NH2+]CCCCNC(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001220077700 979085251 /nfs/dbraw/zinc/08/52/51/979085251.db2.gz UIZDHWXPGKVRIS-QWRGUYRKSA-N 1 3 300.403 -0.587 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC(=N)SCC[NH3+])COC1(C)C ZINC001220106155 979095693 /nfs/dbraw/zinc/09/56/93/979095693.db2.gz CMVICKBRCRDWTI-YUMQZZPRSA-N 1 3 317.415 -0.960 20 0 DBADHO O=C(NC[C@@H](O)c1ccc(O)cc1)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220113449 979100664 /nfs/dbraw/zinc/10/06/64/979100664.db2.gz UCTWZEZOYBWSDP-XNRPHZJLSA-N 1 3 305.378 -0.259 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@@H]2C[NH2+]CC23CNC3)[C@@H](C)OC1 ZINC001220138887 979108537 /nfs/dbraw/zinc/10/85/37/979108537.db2.gz JRBPHIFXSFNGLH-KOLCDFICSA-N 1 3 309.366 -0.853 20 0 DBADHO O=C(N[C@@H]1CCC[C@@]2(CC[NH2+]C2)C1)[C@@H]1COC2(CNC2)CN1 ZINC001220164127 979121880 /nfs/dbraw/zinc/12/18/80/979121880.db2.gz YYILHLHPHJJOCG-VNHYZAJKSA-N 1 3 308.426 -0.645 20 0 DBADHO COc1ccnc(C(=N)NC(=O)[C@@H](N)CCCC[NH+](C)C)n1 ZINC001220183300 979128233 /nfs/dbraw/zinc/12/82/33/979128233.db2.gz LDMAOCKXMIPFQZ-JTQLQIEISA-N 1 3 308.386 -0.014 20 0 DBADHO O=C(NCC1(N2CCCC2)COC1)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001220197621 979132481 /nfs/dbraw/zinc/13/24/81/979132481.db2.gz LWZIBLZZISWVGS-AWEZNQCLSA-N 1 3 322.453 -0.158 20 0 DBADHO COCCC[NH+]1CCC(NC(=O)[C@@H](N)CC[S@](C)=O)CC1 ZINC001220200801 979133852 /nfs/dbraw/zinc/13/38/52/979133852.db2.gz VNSUSBCOZQTOTP-ZSEKCTLFSA-N 1 3 319.471 -0.301 20 0 DBADHO O=C(NCCn1nnc2ccccc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220272701 979152779 /nfs/dbraw/zinc/15/27/79/979152779.db2.gz JRAQHYKGHQACGR-NSHDSACASA-N 1 3 300.366 -0.644 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220310425 979161663 /nfs/dbraw/zinc/16/16/63/979161663.db2.gz AILMFKALQAPTAU-CHNSCGDPSA-N 1 3 313.427 -0.912 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220310426 979162157 /nfs/dbraw/zinc/16/21/57/979162157.db2.gz AILMFKALQAPTAU-CWKPULSASA-N 1 3 313.427 -0.912 20 0 DBADHO N[C@H](C(=O)N[C@H]1c2ccccc2CNC1=O)C1CC[NH2+]CC1 ZINC001220403342 979190901 /nfs/dbraw/zinc/19/09/01/979190901.db2.gz OJEJBZMHDDKMRW-KBPBESRZSA-N 1 3 302.378 -0.199 20 0 DBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NC1CCN(CCF)CC1 ZINC001220435468 979201383 /nfs/dbraw/zinc/20/13/83/979201383.db2.gz IGSSXWGXFIBMTH-AWEZNQCLSA-N 1 3 315.437 -0.713 20 0 DBADHO COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@H](N)CCC[NH3+] ZINC001220453294 979203872 /nfs/dbraw/zinc/20/38/72/979203872.db2.gz AXKZHTHHPXAZPT-KGLIPLIRSA-N 1 3 323.393 -0.073 20 0 DBADHO COCCOc1ccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)cn1 ZINC001220458485 979207440 /nfs/dbraw/zinc/20/74/40/979207440.db2.gz SSOJMAYTWQZHPQ-ZDUSSCGKSA-N 1 3 320.393 -0.468 20 0 DBADHO COC(=O)c1ncc(=O)[nH]c1NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220514944 979220067 /nfs/dbraw/zinc/22/00/67/979220067.db2.gz XGOFFJWIVMQDBS-XLKFXECMSA-N 1 3 321.337 -0.894 20 0 DBADHO [NH3+]CCOCCOCCNC(=O)[C@H]1CC[C@@]2(C1)CNCCO2 ZINC001220519079 979223732 /nfs/dbraw/zinc/22/37/32/979223732.db2.gz AHJMWOPVBPSIMW-DZGCQCFKSA-N 1 3 315.414 -0.747 20 0 DBADHO C[C@H](NC(=O)[C@@H]1C[NH2+]CC12CNC2)[C@H](O)c1cccc(O)c1 ZINC001220546398 979233085 /nfs/dbraw/zinc/23/30/85/979233085.db2.gz PIAIGDSESJISRU-BPNCWPANSA-N 1 3 305.378 -0.261 20 0 DBADHO CC(C)CN1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637307 979252648 /nfs/dbraw/zinc/25/26/48/979252648.db2.gz BEVPVMVZPCEPMG-CABCVRRESA-N 1 3 313.442 -0.086 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NCc1ccc(-n2cccn2)nc1 ZINC001220673971 979263601 /nfs/dbraw/zinc/26/36/01/979263601.db2.gz PZXKNVBDECKWOS-LBPRGKRZSA-N 1 3 320.422 -0.097 20 0 DBADHO CC(C)(CC(=O)N1CCCC1)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220686978 979267177 /nfs/dbraw/zinc/26/71/77/979267177.db2.gz AUGQWVRTARDPOJ-GFCCVEGCSA-N 1 3 308.426 -0.297 20 0 DBADHO COCCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@@H](O)C1 ZINC001220755601 979276993 /nfs/dbraw/zinc/27/69/93/979276993.db2.gz RRTSYHSDPIZDST-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO COCCCCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755601 979277009 /nfs/dbraw/zinc/27/70/09/979277009.db2.gz RRTSYHSDPIZDST-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N[C@@H](C[NH3+])C(C)(C)C)COC1(C)C ZINC001220860026 979312189 /nfs/dbraw/zinc/31/21/89/979312189.db2.gz YJUIDPFDQBTRSJ-DCAQKATOSA-N 1 3 314.430 -0.213 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930028 979325375 /nfs/dbraw/zinc/32/53/75/979325375.db2.gz KMQWSLPJEQNBMC-LSBYKOHUSA-N 1 3 317.455 -0.420 20 0 DBADHO C[S@@](=O)CC[C@H](N)C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220930029 979327704 /nfs/dbraw/zinc/32/77/04/979327704.db2.gz KMQWSLPJEQNBMC-UIHIUVJISA-N 1 3 317.455 -0.420 20 0 DBADHO CC(C)Oc1nccc(CNC(=O)[C@@H](N)CSCC[NH3+])n1 ZINC001220987529 979341979 /nfs/dbraw/zinc/34/19/79/979341979.db2.gz AFGIQPPJPSSTND-NSHDSACASA-N 1 3 313.427 -0.101 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H]2CC[N@H+](C)C2)COC1(C)C ZINC001221253892 979391756 /nfs/dbraw/zinc/39/17/56/979391756.db2.gz ATZGSMYBQMYCJW-SRVKXCTJSA-N 1 3 312.414 -0.635 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H]2CC[N@@H+](C)C2)COC1(C)C ZINC001221253892 979391765 /nfs/dbraw/zinc/39/17/65/979391765.db2.gz ATZGSMYBQMYCJW-SRVKXCTJSA-N 1 3 312.414 -0.635 20 0 DBADHO CCOC(=O)/C=C(/NC(=O)[C@@H](N)CSCC[NH3+])OCC ZINC001221262965 979392804 /nfs/dbraw/zinc/39/28/04/979392804.db2.gz WGJVOHPLTIXJKG-CBFJXKFUSA-N 1 3 305.400 -0.437 20 0 DBADHO COc1cnccc1CCNC(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001221336778 979404435 /nfs/dbraw/zinc/40/44/35/979404435.db2.gz NTSZAWDJHBXKIY-CZUORRHYSA-N 1 3 304.394 -0.052 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)N1Cc2ccccc2C[C@H]1C[NH3+] ZINC001221330886 979405175 /nfs/dbraw/zinc/40/51/75/979405175.db2.gz AQYUBVWLTANQJM-UONOGXRCSA-N 1 3 319.409 -0.326 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)NCCN1CCCS1(=O)=O ZINC001221337596 979408494 /nfs/dbraw/zinc/40/84/94/979408494.db2.gz SYHSZGGLRXSVSI-LBPRGKRZSA-N 1 3 320.459 -0.803 20 0 DBADHO COc1cccc([C@@H](C[NH3+])NC(=O)[C@@H](N)CC[S@@](C)=O)c1 ZINC001221403701 979414458 /nfs/dbraw/zinc/41/44/58/979414458.db2.gz JPOJRNRXNIHZPJ-OSRJUQGESA-N 1 3 313.423 -0.093 20 0 DBADHO C[NH+](C)CC1CCC(NC(=O)[C@H](N)CCCNC(N)=O)CC1 ZINC001221402327 979415083 /nfs/dbraw/zinc/41/50/83/979415083.db2.gz DBUGSKJOGZYVAE-WXRRBKDZSA-N 1 3 313.446 -0.001 20 0 DBADHO COC[C@@H](O)CN1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001221777116 979463772 /nfs/dbraw/zinc/46/37/72/979463772.db2.gz RYTILEYAHXVWRH-QLFBSQMISA-N 1 3 313.442 -0.132 20 0 DBADHO CCOC(=O)[C@@]12CN(C[C@@H]3COCCN3)C[C@@H]1C[NH2+]CCC2 ZINC001222125233 979496408 /nfs/dbraw/zinc/49/64/08/979496408.db2.gz IFUVRQNVFDPPBO-LZWOXQAQSA-N 1 3 311.426 -0.161 20 0 DBADHO CCOC(=O)[C@@]12CN(C[C@H]3CNCCO3)C[C@@H]1C[NH2+]CCC2 ZINC001222125832 979497364 /nfs/dbraw/zinc/49/73/64/979497364.db2.gz XPBLAZNRNCORHE-LZWOXQAQSA-N 1 3 311.426 -0.161 20 0 DBADHO C(c1nc2c(s1)C[NH2+]CC2)N1CCOC[C@@]2(CNCCO2)C1 ZINC001222192290 979499688 /nfs/dbraw/zinc/49/96/88/979499688.db2.gz UVWTVMSBNGQTCS-OAHLLOKOSA-N 1 3 324.450 -0.020 20 0 DBADHO CCN1CCN(CCCNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC001345741595 980075087 /nfs/dbraw/zinc/07/50/87/980075087.db2.gz JKBKVXVNJOYJPL-UHFFFAOYSA-N 1 3 323.445 -0.616 20 0 DBADHO CN1CCN(CCCCNC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC001352839848 980755881 /nfs/dbraw/zinc/75/58/81/980755881.db2.gz SHVUNEKBJFPZOF-MRXNPFEDSA-N 1 3 312.458 -0.114 20 0 DBADHO COCCN1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001353252475 980792526 /nfs/dbraw/zinc/79/25/26/980792526.db2.gz QLGQXTMMKHCXSR-TXEJJXNPSA-N 1 3 312.414 -0.933 20 0 DBADHO CN1CCN(Cc2cccc(CNC(=O)CNCC[NH3+])c2)CC1 ZINC001353592011 980810061 /nfs/dbraw/zinc/81/00/61/980810061.db2.gz ZXZFAPOAHVJFIW-UHFFFAOYSA-N 1 3 319.453 -0.402 20 0 DBADHO COCCN1CC[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)C1 ZINC001357396951 981054076 /nfs/dbraw/zinc/05/40/76/981054076.db2.gz MJDYJLHCSMMBGP-CHWSQXEVSA-N 1 3 312.414 -0.979 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CN1C1CC1 ZINC001357428958 981060486 /nfs/dbraw/zinc/06/04/86/981060486.db2.gz UBGNOVRERITGPW-MBNYWOFBSA-N 1 3 308.426 -0.075 20 0 DBADHO COCCN(CC[NH+](C)C)C(=O)CN(C)[C@@H]1CCC[C@H]1O ZINC001362263535 981487962 /nfs/dbraw/zinc/48/79/62/981487962.db2.gz NTPZNCQGQGCZKX-ZIAGYGMSSA-N 1 3 301.431 -0.132 20 0 DBADHO CC[N@H+](C)CCC(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001530644088 1014762347 /nfs/dbraw/zinc/76/23/47/1014762347.db2.gz FSNNFJYBNCZQIU-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC1CN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001530644088 1014762352 /nfs/dbraw/zinc/76/23/52/1014762352.db2.gz FSNNFJYBNCZQIU-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CCC(=O)NCCCN(C1CC1)[C@@H]1CCC(=O)NC1=O ZINC001490383742 1014948780 /nfs/dbraw/zinc/94/87/80/1014948780.db2.gz ULTTUEUWTHOPAY-CYBMUJFWSA-N 1 3 324.425 -0.286 20 0 DBADHO C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H](CNCC(N)=O)C1 ZINC001365865314 983562878 /nfs/dbraw/zinc/56/28/78/983562878.db2.gz VNRDXEUKZBVJDN-OLZOCXBDSA-N 1 3 308.426 -0.216 20 0 DBADHO CNC(=O)CN[C@H](CNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001366055790 983676168 /nfs/dbraw/zinc/67/61/68/983676168.db2.gz DZHFPEWBAOAQER-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(C)C(=O)CN[C@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001366091233 983686330 /nfs/dbraw/zinc/68/63/30/983686330.db2.gz CGOXKSLBOGFCIL-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH]cn2)C1 ZINC001366203152 983739618 /nfs/dbraw/zinc/73/96/18/983739618.db2.gz MTHVKWDFBFCYBV-JSGCOSHPSA-N 1 3 310.398 -0.212 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001366236448 983749279 /nfs/dbraw/zinc/74/92/79/983749279.db2.gz CMVYIOFOANVQSX-VJTDZRGJSA-N 1 3 308.426 -0.493 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001366236448 983749289 /nfs/dbraw/zinc/74/92/89/983749289.db2.gz CMVYIOFOANVQSX-VJTDZRGJSA-N 1 3 308.426 -0.493 20 0 DBADHO C[C@H](CNC(=O)C12CC[NH+](CC1)C2)NCC(=O)NCC1CC1 ZINC001366343111 983807532 /nfs/dbraw/zinc/80/75/32/983807532.db2.gz IFDULOOIMSIXHX-GFCCVEGCSA-N 1 3 308.426 -0.297 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001366360500 983811263 /nfs/dbraw/zinc/81/12/63/983811263.db2.gz USCDABWVQHZAII-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001366360500 983811267 /nfs/dbraw/zinc/81/12/67/983811267.db2.gz USCDABWVQHZAII-TZMCWYRMSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001366360494 983811277 /nfs/dbraw/zinc/81/12/77/983811277.db2.gz USCDABWVQHZAII-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCC(=O)NCC1CCC1 ZINC001366360494 983811280 /nfs/dbraw/zinc/81/12/80/983811280.db2.gz USCDABWVQHZAII-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001366387614 983821343 /nfs/dbraw/zinc/82/13/43/983821343.db2.gz ADXHAAXBWJFBEV-OCCSQVGLSA-N 1 3 308.426 -0.203 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001366392247 983822099 /nfs/dbraw/zinc/82/20/99/983822099.db2.gz OCKKMLKAKBVLNC-GJZGRUSLSA-N 1 3 321.425 -0.470 20 0 DBADHO Cn1ccnc1CNC[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367595192 984406421 /nfs/dbraw/zinc/40/64/21/984406421.db2.gz VOBQMDPVLMQKFU-STQMWFEESA-N 1 3 309.414 -0.529 20 0 DBADHO Cn1ccnc1CNC[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367595192 984406439 /nfs/dbraw/zinc/40/64/39/984406439.db2.gz VOBQMDPVLMQKFU-STQMWFEESA-N 1 3 309.414 -0.529 20 0 DBADHO CNC(=O)CNC[C@@H](O)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001367627395 984489295 /nfs/dbraw/zinc/48/92/95/984489295.db2.gz VPCSIWQJOUOSDN-CHWSQXEVSA-N 1 3 314.430 -0.936 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C1CC[NH+](C)CC1 ZINC001367644020 984504116 /nfs/dbraw/zinc/50/41/16/984504116.db2.gz BOQFEIXKFVCIJE-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001367677203 984530330 /nfs/dbraw/zinc/53/03/30/984530330.db2.gz ONKTUXNKQBSOGN-VWYCJHECSA-N 1 3 315.418 -0.750 20 0 DBADHO CC(C)N(C)CC(=O)N[C@@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001367776474 984616877 /nfs/dbraw/zinc/61/68/77/984616877.db2.gz NCJAEACHQYEAKU-STQMWFEESA-N 1 3 319.471 -0.144 20 0 DBADHO CN(C)C(=O)CNC[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001368109924 984875728 /nfs/dbraw/zinc/87/57/28/984875728.db2.gz OWBIJZFYAHREIR-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@@H+]([C@H](C)COC)C1 ZINC001368278132 985027559 /nfs/dbraw/zinc/02/75/59/985027559.db2.gz LDKPBWWZMRWMHK-UKRRQHHQSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@]1(O)CC[N@H+]([C@H](C)COC)C1 ZINC001368278132 985027571 /nfs/dbraw/zinc/02/75/71/985027571.db2.gz LDKPBWWZMRWMHK-UKRRQHHQSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2C1)N(C)C ZINC001368356124 985111081 /nfs/dbraw/zinc/11/10/81/985111081.db2.gz FERHMPJIXWJZHR-LJISPDSOSA-N 1 3 313.442 -0.276 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+](C[C@H](O)COC)C[C@@H]2C1)N(C)C ZINC001368356124 985111092 /nfs/dbraw/zinc/11/10/92/985111092.db2.gz FERHMPJIXWJZHR-LJISPDSOSA-N 1 3 313.442 -0.276 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001490734748 1015100309 /nfs/dbraw/zinc/10/03/09/1015100309.db2.gz FALVUELQEBWJJV-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H](NCC(=O)N2CCC2)C2CC2)C1 ZINC001490734748 1015100316 /nfs/dbraw/zinc/10/03/16/1015100316.db2.gz FALVUELQEBWJJV-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO CC[C@H](C(=O)N1CCO[C@@H](C[NH2+]CC(=O)N(C)C)C1)N(C)C ZINC001368510043 985234365 /nfs/dbraw/zinc/23/43/65/985234365.db2.gz MIXONIKJKKRNMK-QWHCGFSZSA-N 1 3 314.430 -0.768 20 0 DBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CCS(C)(=O)=O ZINC001368716839 985371673 /nfs/dbraw/zinc/37/16/73/985371673.db2.gz HLZHWXSVIHFFFB-LBPRGKRZSA-N 1 3 319.471 0.000 20 0 DBADHO Cc1nc(CN[C@@H](C)[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001369144282 985762616 /nfs/dbraw/zinc/76/26/16/985762616.db2.gz BPOLLIQJRBZOHH-WCQYABFASA-N 1 3 324.429 -0.230 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001369179338 985796841 /nfs/dbraw/zinc/79/68/41/985796841.db2.gz ZBZXANBYAXXOPF-IHRRRGAJSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CC1)NCc1nc(=O)n(C)[nH]1 ZINC001369275086 985839631 /nfs/dbraw/zinc/83/96/31/985839631.db2.gz VLDQILCEMDHCED-NSHDSACASA-N 1 3 324.429 -0.613 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001369282750 985842130 /nfs/dbraw/zinc/84/21/30/985842130.db2.gz GHURUHRRHGDDIT-QWRGUYRKSA-N 1 3 315.418 -0.781 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001490958417 1015171546 /nfs/dbraw/zinc/17/15/46/1015171546.db2.gz YGOYXZPBHGGQMZ-KKUMJFAQSA-N 1 3 323.441 -0.179 20 0 DBADHO CN1CCC[C@H]1C(=O)NC/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001533426453 1015171683 /nfs/dbraw/zinc/17/16/83/1015171683.db2.gz YKAVHCAVEPWICT-HSWBROFVSA-N 1 3 320.437 -0.035 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NC(N)=O)C[C@@H]1C ZINC001369402198 986049386 /nfs/dbraw/zinc/04/93/86/986049386.db2.gz QORUKFYEOXURTP-QWRGUYRKSA-N 1 3 313.402 -0.900 20 0 DBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)C2(C[NH+](C)C)CC2)n[nH]1 ZINC001369487896 986216125 /nfs/dbraw/zinc/21/61/25/986216125.db2.gz SPJJTSVNUKWXAS-LBPRGKRZSA-N 1 3 324.429 -0.636 20 0 DBADHO CC[C@H](C(=O)N(C)C1CC([NH2+]C[C@@H](O)COC)C1)N(C)C ZINC001369583039 986295515 /nfs/dbraw/zinc/29/55/15/986295515.db2.gz QHYWFIQXVCDFSH-NWINJMCUSA-N 1 3 301.431 -0.087 20 0 DBADHO CN(C(=O)[C@H]1CCCN1C)C1CC([NH2+]CC(=O)NC2CC2)C1 ZINC001369579522 986296886 /nfs/dbraw/zinc/29/68/86/986296886.db2.gz GKUVIICWSDDQMS-JXQTWKCFSA-N 1 3 308.426 -0.062 20 0 DBADHO C[C@@H](NCC(N)=O)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001369757205 986348913 /nfs/dbraw/zinc/34/89/13/986348913.db2.gz WMVDAIRJQHHRTJ-OLZOCXBDSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)C1(C(=O)NC[C@H]([NH2+][C@@H]2CCNC2=O)C2CC2)CCC1 ZINC001370166202 986628122 /nfs/dbraw/zinc/62/81/22/986628122.db2.gz JQKRZRWZAOXMKJ-OLZOCXBDSA-N 1 3 308.426 -0.156 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001370649578 986844302 /nfs/dbraw/zinc/84/43/02/986844302.db2.gz MUVBHLAHHUZSHY-CHWFTXMASA-N 1 3 313.402 -0.853 20 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ZINC001374489817 988887908 /nfs/dbraw/zinc/88/79/08/988887908.db2.gz HPZNWEZKBPXGTB-LSDHHAIUSA-N 1 3 313.442 -0.274 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)NCCS(C)(=O)=O ZINC001491457006 1015430798 /nfs/dbraw/zinc/43/07/98/1015430798.db2.gz MTUKSVYWJDPVGG-WCQYABFASA-N 1 3 317.455 -0.533 20 0 DBADHO CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(C)(C)C)N(C)C ZINC001374619110 989034636 /nfs/dbraw/zinc/03/46/36/989034636.db2.gz ZSCDWXVRQTWLFC-VXGBXAGGSA-N 1 3 316.446 -0.692 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)C1(N(C)C)CCC1 ZINC001491477049 1015442972 /nfs/dbraw/zinc/44/29/72/1015442972.db2.gz FQOQEHUCUXAEKH-JTQLQIEISA-N 1 3 313.402 -0.979 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001374649130 989083204 /nfs/dbraw/zinc/08/32/04/989083204.db2.gz LBXCSLRVUDBBCP-LBPRGKRZSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN(C)C(C)(C)C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001374649130 989083209 /nfs/dbraw/zinc/08/32/09/989083209.db2.gz LBXCSLRVUDBBCP-LBPRGKRZSA-N 1 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/nfs/dbraw/zinc/17/57/95/989175795.db2.gz DQYMXXCPEHGYSA-UHFFFAOYSA-N 1 3 307.398 -0.071 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001374898448 989297800 /nfs/dbraw/zinc/29/78/00/989297800.db2.gz ONKTUXNKQBSOGN-AXFHLTTASA-N 1 3 315.418 -0.750 20 0 DBADHO CC[N@H+](C)CCC(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001374912096 989307283 /nfs/dbraw/zinc/30/72/83/989307283.db2.gz YNDZDFDMGHJWFF-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCC1CN(C(=O)[C@H]2CCCN2C)C1 ZINC001374912096 989307292 /nfs/dbraw/zinc/30/72/92/989307292.db2.gz YNDZDFDMGHJWFF-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001374923361 989316856 /nfs/dbraw/zinc/31/68/56/989316856.db2.gz ZAJCHRSSUFIKQH-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO O=C(NCC1(N[C@@H]2CCCNC2=O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001375420507 989594563 /nfs/dbraw/zinc/59/45/63/989594563.db2.gz KOFGVFXUKGUGPC-UONOGXRCSA-N 1 3 320.437 -0.155 20 0 DBADHO 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/nfs/dbraw/zinc/52/71/84/1015527184.db2.gz BLKPLFNTFHPZQN-GHMZBOCLSA-N 1 3 300.403 -0.935 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CC(=O)NC1CC1 ZINC001376366547 990036823 /nfs/dbraw/zinc/03/68/23/990036823.db2.gz NBNZYMGQANOLJH-NEPJUHHUSA-N 1 3 319.409 -0.085 20 0 DBADHO C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001376393917 990045731 /nfs/dbraw/zinc/04/57/31/990045731.db2.gz BFBUCJSSDLRDQU-AVGNSLFASA-N 1 3 317.455 -0.390 20 0 DBADHO C[N@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](NCCS(C)(=O)=O)C2)C1 ZINC001376393917 990045736 /nfs/dbraw/zinc/04/57/36/990045736.db2.gz BFBUCJSSDLRDQU-AVGNSLFASA-N 1 3 317.455 -0.390 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001376405432 990050531 /nfs/dbraw/zinc/05/05/31/990050531.db2.gz VHNUWLVLMHAMOK-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](NCC(=O)Nc3ccon3)C2)C1 ZINC001376419321 990053993 /nfs/dbraw/zinc/05/39/93/990053993.db2.gz VAZBDWXGJJWBPD-IJLUTSLNSA-N 1 3 321.381 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/nfs/dbraw/zinc/56/90/33/1015569033.db2.gz LYQAZHKBHJDCPB-LLVKDONJSA-N 1 3 313.402 -0.848 20 0 DBADHO C[C@H](NC(=O)CN1CCC(CO)CC1)[C@@H]1C[N@H+](C)CCN1C ZINC001548427820 1015569220 /nfs/dbraw/zinc/56/92/20/1015569220.db2.gz STDKZGQAPMDVHV-ZFWWWQNUSA-N 1 3 312.458 -0.559 20 0 DBADHO C[C@H](NC(=O)CN1CCC(CO)CC1)[C@@H]1C[N@@H+](C)CCN1C ZINC001548427820 1015569229 /nfs/dbraw/zinc/56/92/29/1015569229.db2.gz STDKZGQAPMDVHV-ZFWWWQNUSA-N 1 3 312.458 -0.559 20 0 DBADHO COC[C@@H](C)N1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001377579996 990663845 /nfs/dbraw/zinc/66/38/45/990663845.db2.gz PYNRQPXITOXEEZ-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](C)N1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001377579996 990663850 /nfs/dbraw/zinc/66/38/50/990663850.db2.gz PYNRQPXITOXEEZ-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO CN(CCN[C@@H]1CCN(C)C1=O)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001377579884 990664352 /nfs/dbraw/zinc/66/43/52/990664352.db2.gz PCKVDBDWSRRKOX-UONOGXRCSA-N 1 3 308.426 -0.393 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001377717274 990706289 /nfs/dbraw/zinc/70/62/89/990706289.db2.gz WVSRZASBAJPPTB-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001377717274 990706293 /nfs/dbraw/zinc/70/62/93/990706293.db2.gz WVSRZASBAJPPTB-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(CC(=O)N3CCC3)C2)C1 ZINC001377718637 990708597 /nfs/dbraw/zinc/70/85/97/990708597.db2.gz JSDWHSDXTLSBIW-CABCVRRESA-N 1 3 322.453 -0.001 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCC[C@@H]2CCN(CC(=O)N3CCC3)C2)C1 ZINC001377718637 990708603 /nfs/dbraw/zinc/70/86/03/990708603.db2.gz JSDWHSDXTLSBIW-CABCVRRESA-N 1 3 322.453 -0.001 20 0 DBADHO C[C@@H]([NH2+]CC(=O)NC(N)=O)[C@H](C)NC(=O)CN(C)C1CCC1 ZINC001377806208 990740469 /nfs/dbraw/zinc/74/04/69/990740469.db2.gz LJSZPBTYAPQBGW-ZJUUUORDSA-N 1 3 313.402 -0.852 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001377821760 990744889 /nfs/dbraw/zinc/74/48/89/990744889.db2.gz JUPBBZVNNMXOKY-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001377821760 990744898 /nfs/dbraw/zinc/74/48/98/990744898.db2.gz JUPBBZVNNMXOKY-KFWWJZLASA-N 1 3 313.442 -0.084 20 0 DBADHO CN1CCNC[C@H]1C(=O)Nc1ccccc1C(=O)NCC[NH3+] ZINC001548558103 1015594117 /nfs/dbraw/zinc/59/41/17/1015594117.db2.gz MVUMTVHWTMLHPN-ZDUSSCGKSA-N 1 3 305.382 -0.783 20 0 DBADHO CC[C@H](CNC(=O)[C@@H](CC)N(C)C)[NH2+]CC(=O)NC(N)=O ZINC001378265894 990903083 /nfs/dbraw/zinc/90/30/83/990903083.db2.gz XHWMULCRMHHVNX-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001378317004 990928889 /nfs/dbraw/zinc/92/88/89/990928889.db2.gz LELNKVCWAAAXJU-QWRGUYRKSA-N 1 3 313.402 -0.993 20 0 DBADHO CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001378317004 990928892 /nfs/dbraw/zinc/92/88/92/990928892.db2.gz LELNKVCWAAAXJU-QWRGUYRKSA-N 1 3 313.402 -0.993 20 0 DBADHO COc1cccc(C[C@@H](N)C(=O)N[C@H]2COC3(C[NH2+]C3)C2)c1 ZINC001548568255 1015598283 /nfs/dbraw/zinc/59/82/83/1015598283.db2.gz GACNCPPTNWXZMM-TZMCWYRMSA-N 1 3 305.378 -0.188 20 0 DBADHO CC(C)C[C@H](CNCC(N)=O)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001378871277 991225165 /nfs/dbraw/zinc/22/51/65/991225165.db2.gz GEOAHMSZJMRUNI-KGLIPLIRSA-N 1 3 310.442 -0.066 20 0 DBADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCCS(C)(=O)=O ZINC001379003916 991271022 /nfs/dbraw/zinc/27/10/22/991271022.db2.gz CERPNFDWGXBFGF-OLZOCXBDSA-N 1 3 319.471 -0.287 20 0 DBADHO CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCCS(C)(=O)=O ZINC001379003916 991271037 /nfs/dbraw/zinc/27/10/37/991271037.db2.gz CERPNFDWGXBFGF-OLZOCXBDSA-N 1 3 319.471 -0.287 20 0 DBADHO C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC001548655742 1015626410 /nfs/dbraw/zinc/62/64/10/1015626410.db2.gz UDIWDAWQGJXHRY-OWCLPIDISA-N 1 3 322.453 -0.445 20 0 DBADHO C[C@@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CC[C@@H](CN2CCOCC2)C1 ZINC001548655742 1015626417 /nfs/dbraw/zinc/62/64/17/1015626417.db2.gz UDIWDAWQGJXHRY-OWCLPIDISA-N 1 3 322.453 -0.445 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCCS(C)(=O)=O ZINC001379133664 991349894 /nfs/dbraw/zinc/34/98/94/991349894.db2.gz RYLSQDHQKNAPBM-YNEHKIRRSA-N 1 3 319.471 -0.192 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCCS(C)(=O)=O ZINC001379133664 991349903 /nfs/dbraw/zinc/34/99/03/991349903.db2.gz RYLSQDHQKNAPBM-YNEHKIRRSA-N 1 3 319.471 -0.192 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2cncc(F)c2)C1 ZINC001379284511 991515833 /nfs/dbraw/zinc/51/58/33/991515833.db2.gz IDFRFVHZNBACFX-TZMCWYRMSA-N 1 3 310.373 -0.261 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@H](O)CNCc2cncc(F)c2)C1 ZINC001379284511 991515847 /nfs/dbraw/zinc/51/58/47/991515847.db2.gz IDFRFVHZNBACFX-TZMCWYRMSA-N 1 3 310.373 -0.261 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCc2ncnn21 ZINC001379294258 991524070 /nfs/dbraw/zinc/52/40/70/991524070.db2.gz PVQQSSCAAOLUQQ-STQMWFEESA-N 1 3 324.429 -0.828 20 0 DBADHO CC[C@H](C(=O)N[C@H](C)C[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001379384080 991610454 /nfs/dbraw/zinc/61/04/54/991610454.db2.gz NVZVIJUXDMTQPK-FRRDWIJNSA-N 1 3 319.471 -0.144 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](CO)[NH2+]C[C@H]1CCCCO1 ZINC001379525708 991768128 /nfs/dbraw/zinc/76/81/28/991768128.db2.gz LZNQDGROECBRHJ-UONOGXRCSA-N 1 3 301.431 -0.038 20 0 DBADHO NCc1cn([C@H]2CCCN(C(=O)[C@H]3C[NH2+]CCOC3)C2)nn1 ZINC001548939407 1015683686 /nfs/dbraw/zinc/68/36/86/1015683686.db2.gz SDKHNMYABFWEOI-AAEUAGOBSA-N 1 3 308.386 -0.864 20 0 DBADHO CNC(=O)CNC[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001380287375 992234978 /nfs/dbraw/zinc/23/49/78/992234978.db2.gz OYUNUKPSEASFAN-ZDUSSCGKSA-N 1 3 308.426 -0.059 20 0 DBADHO Cn1nccc1CCN1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001380558155 992392564 /nfs/dbraw/zinc/39/25/64/992392564.db2.gz YIVSVGBTZIODLG-INIZCTEOSA-N 1 3 323.441 -0.533 20 0 DBADHO Cn1nccc1[C@@H]1[C@@H](NC[C@H]2CCC3(C[NH2+]C3)O2)CC(=O)N1C ZINC001549284015 1015714478 /nfs/dbraw/zinc/71/44/78/1015714478.db2.gz ADRWURBTCJNWSD-XUJVJEKNSA-N 1 3 319.409 -0.198 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCC(=O)NC3CC3)C2)C1 ZINC001380911810 992586568 /nfs/dbraw/zinc/58/65/68/992586568.db2.gz FKNPSIUKNWDPMO-JSGCOSHPSA-N 1 3 324.425 -0.966 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N2CCO[C@@H](CNCC(=O)NC3CC3)C2)C1 ZINC001380911810 992586578 /nfs/dbraw/zinc/58/65/78/992586578.db2.gz FKNPSIUKNWDPMO-JSGCOSHPSA-N 1 3 324.425 -0.966 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N(C)C1CC1 ZINC001381098231 992663415 /nfs/dbraw/zinc/66/34/15/992663415.db2.gz BRSGEGUYVZIINC-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1NCC(=O)N(C)C1CC1 ZINC001381098229 992664421 /nfs/dbraw/zinc/66/44/21/992664421.db2.gz BRSGEGUYVZIINC-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)NCC(=O)NC(N)=O ZINC001381424149 992798426 /nfs/dbraw/zinc/79/84/26/992798426.db2.gz VGUTVWXAJMLASJ-VHSXEESVSA-N 1 3 313.402 -0.994 20 0 DBADHO CN(CC(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1)C1CCC1 ZINC001382204736 993052728 /nfs/dbraw/zinc/05/27/28/993052728.db2.gz BDAWUFPXAGQMQM-AWEZNQCLSA-N 1 3 313.442 -0.036 20 0 DBADHO COC[C@]1(C(=O)N2C[C@H]([NH3+])[C@@H](c3cn(C)cn3)C2)CCCCN1 ZINC001549738730 1015766321 /nfs/dbraw/zinc/76/63/21/1015766321.db2.gz RRCFKMDTEXZXPU-XEZPLFJOSA-N 1 3 321.425 -0.168 20 0 DBADHO CC[C@H](C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cncn1C)N(C)C ZINC001382429025 993242754 /nfs/dbraw/zinc/24/27/54/993242754.db2.gz BNSVRYDLFLUHTF-UONOGXRCSA-N 1 3 311.430 -0.331 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@H+](C)CCCO)C1 ZINC001382460700 993290442 /nfs/dbraw/zinc/29/04/42/993290442.db2.gz BFTHIWBKRLYBEF-ZIAGYGMSSA-N 1 3 301.431 -0.538 20 0 DBADHO C[C@@H]1CCN(CC(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO)C1 ZINC001382460700 993290449 /nfs/dbraw/zinc/29/04/49/993290449.db2.gz BFTHIWBKRLYBEF-ZIAGYGMSSA-N 1 3 301.431 -0.538 20 0 DBADHO COCCN(CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C[C@@H](C)O ZINC001382537155 993339119 /nfs/dbraw/zinc/33/91/19/993339119.db2.gz ODKUQNXUXHYUBN-HIFRSBDPSA-N 1 3 313.442 -0.226 20 0 DBADHO O=C(C[C@@H]1CCNC[C@H]1F)NCc1cn([C@H]2CC[NH2+]C2)nn1 ZINC001550086509 1015787334 /nfs/dbraw/zinc/78/73/34/1015787334.db2.gz AFTIRBXIRICLQH-WCFLWFBJSA-N 1 3 310.377 -0.234 20 0 DBADHO O=C(NCc1cn([C@@H]2CC[NH2+]C2)nn1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001550086877 1015788925 /nfs/dbraw/zinc/78/89/25/1015788925.db2.gz DRAHIHMKUVXKTC-MGPQQGTHSA-N 1 3 320.397 -0.708 20 0 DBADHO NCc1cn([C@H]2CCN(C(=O)CO[C@@H]3CCC[NH2+]C3)C2)nn1 ZINC001550097174 1015791420 /nfs/dbraw/zinc/79/14/20/1015791420.db2.gz ALBJHPHBAMDFIO-QWHCGFSZSA-N 1 3 308.386 -0.721 20 0 DBADHO CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC001550275295 1015801708 /nfs/dbraw/zinc/80/17/08/1015801708.db2.gz CZSANEXBBVMDDE-RWMBFGLXSA-N 1 3 323.441 -0.282 20 0 DBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001383846649 993764459 /nfs/dbraw/zinc/76/44/59/993764459.db2.gz VFCBLFXGKTUJGT-NEPJUHHUSA-N 1 3 307.398 -0.133 20 0 DBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001383846649 993764467 /nfs/dbraw/zinc/76/44/67/993764467.db2.gz VFCBLFXGKTUJGT-NEPJUHHUSA-N 1 3 307.398 -0.133 20 0 DBADHO O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCNC[C@@H](O)C1 ZINC001550732366 1015812234 /nfs/dbraw/zinc/81/22/34/1015812234.db2.gz SNHQMMNZVJFSSC-UKRRQHHQSA-N 1 3 304.394 -0.151 20 0 DBADHO CN1C[C@H](O)C[C@@H]1CNC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC001551489659 1015828347 /nfs/dbraw/zinc/82/83/47/1015828347.db2.gz JQVALYLATMZJQT-QHSBEEBCSA-N 1 3 304.394 -0.025 20 0 DBADHO Cn1cc([C@H]2CN(C(=O)N[C@H]3CCCN(C)C3)C[C@H]2[NH3+])cn1 ZINC001552096245 1015840104 /nfs/dbraw/zinc/84/01/04/1015840104.db2.gz JMTGWLFGRUSERZ-BFHYXJOUSA-N 1 3 306.414 -0.050 20 0 DBADHO C[NH+](C)CCC(=O)N1CCC2(CN(C(=O)Cc3c[nH]cn3)C2)C1 ZINC001384573410 994188126 /nfs/dbraw/zinc/18/81/26/994188126.db2.gz NOUMUWWDLCYERW-UHFFFAOYSA-N 1 3 319.409 -0.035 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2CCNCC2(C)C)nn1 ZINC001552160796 1015842525 /nfs/dbraw/zinc/84/25/25/1015842525.db2.gz JJNIVKCRLAVHPE-DGCLKSJQSA-N 1 3 322.413 -0.810 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N2C[C@H](C)NC[C@H]2C)nn1 ZINC001552161089 1015843834 /nfs/dbraw/zinc/84/38/34/1015843834.db2.gz JNEULMPXMHKOCI-FMCLSXCISA-N 1 3 322.413 -0.811 20 0 DBADHO CCN1CCN(CCNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC001552168040 1015844807 /nfs/dbraw/zinc/84/48/07/1015844807.db2.gz LXMBKDILXXQRJN-ZDUSSCGKSA-N 1 3 321.429 -0.820 20 0 DBADHO C[C@@H]1[NH2+]CC[C@@H]1NC(=O)N1CCC[C@H](n2cc(CN)nn2)C1 ZINC001552249706 1015850724 /nfs/dbraw/zinc/85/07/24/1015850724.db2.gz PMCLDHGJLNUQSP-DRZSPHRISA-N 1 3 307.402 -0.166 20 0 DBADHO COC[C@H](O)CN1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001400716864 994313755 /nfs/dbraw/zinc/31/37/55/994313755.db2.gz ZUYQWALZOZFFDI-LSDHHAIUSA-N 1 3 313.442 -0.132 20 0 DBADHO CN1CCN(C2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)CC1 ZINC001552274204 1015852625 /nfs/dbraw/zinc/85/26/25/1015852625.db2.gz HAMAGLMSAVQBCS-CQSZACIVSA-N 1 3 310.442 -0.539 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC(N)=O ZINC001401089375 994432057 /nfs/dbraw/zinc/43/20/57/994432057.db2.gz DRXMXWFCBYMILN-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001552610657 1015864293 /nfs/dbraw/zinc/86/42/93/1015864293.db2.gz YCPMGCAQFOQQDM-MJBXVCDLSA-N 1 3 321.429 -0.131 20 0 DBADHO CC[N@H+]1CC[C@H](NC(=O)N2C[C@@H](N(C)C)[C@@H](n3ccnn3)C2)C1 ZINC001552610657 1015864295 /nfs/dbraw/zinc/86/42/95/1015864295.db2.gz YCPMGCAQFOQQDM-MJBXVCDLSA-N 1 3 321.429 -0.131 20 0 DBADHO CN(C(=O)CC[NH+](C)C)[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001385401676 994483398 /nfs/dbraw/zinc/48/33/98/994483398.db2.gz HIJDIOMQUGFIQR-ZDUSSCGKSA-N 1 3 307.398 -0.037 20 0 DBADHO C[C@@H](CN[C@H]1CCNC1=O)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001401238067 994492094 /nfs/dbraw/zinc/49/20/94/994492094.db2.gz XTKIDEJYIMUOQC-STQMWFEESA-N 1 3 308.426 -0.060 20 0 DBADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001385654647 994582310 /nfs/dbraw/zinc/58/23/10/994582310.db2.gz IIZDXVLFZDQURH-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001385654647 994582326 /nfs/dbraw/zinc/58/23/26/994582326.db2.gz IIZDXVLFZDQURH-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385654652 994583540 /nfs/dbraw/zinc/58/35/40/994583540.db2.gz IIZDXVLFZDQURH-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385654652 994583550 /nfs/dbraw/zinc/58/35/50/994583550.db2.gz IIZDXVLFZDQURH-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@H](O)CNC(=O)CN(C)CC(C)(C)C ZINC001401549293 994634793 /nfs/dbraw/zinc/63/47/93/994634793.db2.gz DEJLUZVOJNHDFK-LBPRGKRZSA-N 1 3 316.446 -0.881 20 0 DBADHO C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001401548166 994635950 /nfs/dbraw/zinc/63/59/50/994635950.db2.gz ASOCAFFCMIDPLT-GFCCVEGCSA-N 1 3 314.430 -0.809 20 0 DBADHO C[N@@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H](O)CNCC(N)=O ZINC001401548166 994635956 /nfs/dbraw/zinc/63/59/56/994635956.db2.gz ASOCAFFCMIDPLT-GFCCVEGCSA-N 1 3 314.430 -0.809 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001385847073 994653262 /nfs/dbraw/zinc/65/32/62/994653262.db2.gz DSLUKGRPWONLIS-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001385847073 994653273 /nfs/dbraw/zinc/65/32/73/994653273.db2.gz DSLUKGRPWONLIS-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001401629570 994715059 /nfs/dbraw/zinc/71/50/59/994715059.db2.gz ZNIYAVYEFWZBGY-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001401629570 994715070 /nfs/dbraw/zinc/71/50/70/994715070.db2.gz ZNIYAVYEFWZBGY-MNOVXSKESA-N 1 3 313.402 -0.850 20 0 DBADHO CNC(=O)[C@H](C)NC[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001401651250 994731061 /nfs/dbraw/zinc/73/10/61/994731061.db2.gz JPSUPFVQESVCKC-NEPJUHHUSA-N 1 3 324.429 -0.713 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001493289388 1015885461 /nfs/dbraw/zinc/88/54/61/1015885461.db2.gz DSLUKGRPWONLIS-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001493289388 1015885463 /nfs/dbraw/zinc/88/54/63/1015885463.db2.gz DSLUKGRPWONLIS-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(N)=O)NC(=O)c1ccccc1CC[NH+](C)C ZINC001401692185 994760071 /nfs/dbraw/zinc/76/00/71/994760071.db2.gz KOTPRVHRCAFTFK-LBPRGKRZSA-N 1 3 306.410 -0.016 20 0 DBADHO CC[C@@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC(=O)NC)N(C)C ZINC001401702249 994768880 /nfs/dbraw/zinc/76/88/80/994768880.db2.gz LUBHIFIAOSEBHV-AXFHLTTASA-N 1 3 315.418 -0.735 20 0 DBADHO C[C@@H](CNCC(=O)N1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001401718546 994779067 /nfs/dbraw/zinc/77/90/67/994779067.db2.gz QPIWXZOTHTUUTP-ZDUSSCGKSA-N 1 3 308.426 -0.201 20 0 DBADHO Cn1cnc([C@@H]2CN(C(=O)N[C@H]3CCCN(C)C3)C[C@@H]2[NH3+])c1 ZINC001553441641 1015892810 /nfs/dbraw/zinc/89/28/10/1015892810.db2.gz WZSCAQHMDBMNJQ-XQQFMLRXSA-N 1 3 306.414 -0.050 20 0 DBADHO CCN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401863911 994833040 /nfs/dbraw/zinc/83/30/40/994833040.db2.gz LAOGMIKMILSNBW-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO CCN(C)C(=O)CNC[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401863911 994833043 /nfs/dbraw/zinc/83/30/43/994833043.db2.gz LAOGMIKMILSNBW-KBPBESRZSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H](NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001401876475 994836054 /nfs/dbraw/zinc/83/60/54/994836054.db2.gz RTQMMBOTRYWCCJ-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO COC[C@H](O)CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001402085263 994911318 /nfs/dbraw/zinc/91/13/18/994911318.db2.gz GUOLMUOPRQWLEM-LSDHHAIUSA-N 1 3 313.442 -0.084 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21 ZINC001386524929 994951114 /nfs/dbraw/zinc/95/11/14/994951114.db2.gz IEBHRUSKDUJFDF-TTZDDIAXSA-N 1 3 322.453 -0.147 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21 ZINC001386524929 994951126 /nfs/dbraw/zinc/95/11/26/994951126.db2.gz IEBHRUSKDUJFDF-TTZDDIAXSA-N 1 3 322.453 -0.147 20 0 DBADHO CC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C)N(C)C ZINC001386559539 994965192 /nfs/dbraw/zinc/96/51/92/994965192.db2.gz DNNRWACNRYXIRK-SFDCQRBFSA-N 1 3 310.442 -0.149 20 0 DBADHO CCNC(=O)CN[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001402293955 995049620 /nfs/dbraw/zinc/04/96/20/995049620.db2.gz DOAWYTXPIHCFBA-CABCVRRESA-N 1 3 322.453 -0.051 20 0 DBADHO O=C(CN[C@@H](CNC(=O)C12CC[NH+](CC1)C2)C1CC1)N1CCC1 ZINC001402362610 995108914 /nfs/dbraw/zinc/10/89/14/995108914.db2.gz MCYSNILFEDVAFI-AWEZNQCLSA-N 1 3 320.437 -0.201 20 0 DBADHO CC(C)NC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001402377055 995115685 /nfs/dbraw/zinc/11/56/85/995115685.db2.gz OPKNUXFMPJUHFB-KBPBESRZSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001402377055 995115688 /nfs/dbraw/zinc/11/56/88/995115688.db2.gz OPKNUXFMPJUHFB-KBPBESRZSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H](C(N)=O)N1C[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001402438796 995136693 /nfs/dbraw/zinc/13/66/93/995136693.db2.gz PVBWGZWPCYPXJN-MJBXVCDLSA-N 1 3 322.453 -0.018 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CNCc2n[nH]c(C)n2)C1 ZINC001402588624 995200292 /nfs/dbraw/zinc/20/02/92/995200292.db2.gz FALIUVMSDCJOKN-CYBMUJFWSA-N 1 3 324.429 -0.228 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CNCc2n[nH]c(C)n2)C1 ZINC001402588624 995200302 /nfs/dbraw/zinc/20/03/02/995200302.db2.gz FALIUVMSDCJOKN-CYBMUJFWSA-N 1 3 324.429 -0.228 20 0 DBADHO NC(=O)CNC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001402591583 995202273 /nfs/dbraw/zinc/20/22/73/995202273.db2.gz GDSPEVPGEWSFNR-ZDUSSCGKSA-N 1 3 312.414 -0.835 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@@](CO)([NH2+]C[C@@H](C)O)C1 ZINC001402733250 995265181 /nfs/dbraw/zinc/26/51/81/995265181.db2.gz BVHUMLLSNHMCFR-UKRRQHHQSA-N 1 3 301.431 -0.350 20 0 DBADHO COC[C@@H](O)C[NH2+]CC1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC001402945507 995350545 /nfs/dbraw/zinc/35/05/45/995350545.db2.gz JRBNTAFJJXOUGZ-BPCQOVAHSA-N 1 3 310.398 -0.248 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(=O)NC ZINC001403046244 995388245 /nfs/dbraw/zinc/38/82/45/995388245.db2.gz VSXHWXLFAXZPFC-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@H](C)[C@@H](C)NCC(=O)NC(=O)NC ZINC001403046244 995388250 /nfs/dbraw/zinc/38/82/50/995388250.db2.gz VSXHWXLFAXZPFC-GHMZBOCLSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001403070462 995395174 /nfs/dbraw/zinc/39/51/74/995395174.db2.gz NUCVOJPNFKNDJI-DGCLKSJQSA-N 1 3 312.414 -0.920 20 0 DBADHO CN(CC(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1)C1CCC1 ZINC001403181437 995439335 /nfs/dbraw/zinc/43/93/35/995439335.db2.gz MHJGYTGQEODLMZ-ZDUSSCGKSA-N 1 3 308.426 -0.060 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@@H]1CCN(C(=O)CN(C)C2CCC2)C1 ZINC001403224760 995459489 /nfs/dbraw/zinc/45/94/89/995459489.db2.gz CHWLMGBAIBHRDI-ZFWWWQNUSA-N 1 3 313.442 -0.084 20 0 DBADHO O=C(C[NH2+]C[C@H]1CCN(C(=O)CN2CCCC2)C1)NC1CC1 ZINC001403260756 995471036 /nfs/dbraw/zinc/47/10/36/995471036.db2.gz OEKYDZJVJVGOCP-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO COC[C@@H](O)CN1CC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001403316238 995484036 /nfs/dbraw/zinc/48/40/36/995484036.db2.gz BDBOFBLXOIYULA-OCCSQVGLSA-N 1 3 311.426 -0.474 20 0 DBADHO CN(C)C1(C(=O)NCCN(C)C(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001387813095 995494284 /nfs/dbraw/zinc/49/42/84/995494284.db2.gz VZASOHAHUJPCQN-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C1(C(=O)NCCN(C)C(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001387813095 995494293 /nfs/dbraw/zinc/49/42/93/995494293.db2.gz VZASOHAHUJPCQN-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)CN1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001403380648 995501058 /nfs/dbraw/zinc/50/10/58/995501058.db2.gz JPZBTNDONXACEB-QWHCGFSZSA-N 1 3 301.431 -0.228 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001403405097 995510335 /nfs/dbraw/zinc/51/03/35/995510335.db2.gz HAHATYFNZYMMOP-APIJFGDWSA-N 1 3 322.453 -0.099 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21 ZINC001403405097 995510343 /nfs/dbraw/zinc/51/03/43/995510343.db2.gz HAHATYFNZYMMOP-APIJFGDWSA-N 1 3 322.453 -0.099 20 0 DBADHO CNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001403437858 995524599 /nfs/dbraw/zinc/52/45/99/995524599.db2.gz HVPXFERRDUOUJV-XUXIUFHCSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001403471629 995535843 /nfs/dbraw/zinc/53/58/43/995535843.db2.gz YLQQKOLOIQFHSJ-MNOVXSKESA-N 1 3 315.418 -0.733 20 0 DBADHO CCNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001403470739 995536300 /nfs/dbraw/zinc/53/63/00/995536300.db2.gz YRCCXWDSEQTOSO-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCNC(=O)CN(C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001403470739 995536305 /nfs/dbraw/zinc/53/63/05/995536305.db2.gz YRCCXWDSEQTOSO-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC(CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001387922075 995539714 /nfs/dbraw/zinc/53/97/14/995539714.db2.gz KDRKPIKNTAKQFZ-CQSZACIVSA-N 1 3 322.453 -0.003 20 0 DBADHO COC[C@@H](O)CN(C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001403586043 995585591 /nfs/dbraw/zinc/58/55/91/995585591.db2.gz IMMITFAKMPQHRI-AWEZNQCLSA-N 1 3 313.442 -0.082 20 0 DBADHO CO[C@@H](C)C[NH2+][C@H](CO)CNC(=O)C(C)(C)N1CCCC1 ZINC001403704667 995659498 /nfs/dbraw/zinc/65/94/98/995659498.db2.gz CIYQQKCHQQLDBH-STQMWFEESA-N 1 3 301.431 -0.038 20 0 DBADHO C[C@H]1[C@H](NCCS(C)(=O)=O)CCN1C(=O)CC[NH+](C)C ZINC001403746595 995686449 /nfs/dbraw/zinc/68/64/49/995686449.db2.gz NEXAWVGTZCXYKL-NWDGAFQWSA-N 1 3 305.444 -0.438 20 0 DBADHO CC[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001388738079 995743983 /nfs/dbraw/zinc/74/39/83/995743983.db2.gz XVIXPOUAJMTSRK-DCAQKATOSA-N 1 3 313.402 -0.994 20 0 DBADHO CNC(=O)CNC[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001403870567 995745643 /nfs/dbraw/zinc/74/56/43/995745643.db2.gz FQQUNDGRTDABGH-CYBMUJFWSA-N 1 3 314.430 -0.983 20 0 DBADHO CN1CC[C@@H](N2CC[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)C1=O ZINC001404079997 995814341 /nfs/dbraw/zinc/81/43/41/995814341.db2.gz ZQCJHROQIBJNNK-UONOGXRCSA-N 1 3 322.453 -0.003 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001389250878 995910114 /nfs/dbraw/zinc/91/01/14/995910114.db2.gz TZDMNVYMWSHBMD-CYBMUJFWSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)NC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001389250878 995910119 /nfs/dbraw/zinc/91/01/19/995910119.db2.gz TZDMNVYMWSHBMD-CYBMUJFWSA-N 1 3 310.442 -0.005 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001389310677 995931485 /nfs/dbraw/zinc/93/14/85/995931485.db2.gz JBVQWSGKDMNQLS-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001389310677 995931490 /nfs/dbraw/zinc/93/14/90/995931490.db2.gz JBVQWSGKDMNQLS-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO Cn1nncc1CN[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001389682651 996069677 /nfs/dbraw/zinc/06/96/77/996069677.db2.gz DBWVEPSSBRJLIY-GXTWGEPZSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CN[C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389682651 996069682 /nfs/dbraw/zinc/06/96/82/996069682.db2.gz DBWVEPSSBRJLIY-GXTWGEPZSA-N 1 3 306.414 -0.249 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001389859482 996122797 /nfs/dbraw/zinc/12/27/97/996122797.db2.gz SYOHTKUNLNEVTF-CYBMUJFWSA-N 1 3 319.409 -0.213 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001389859482 996122799 /nfs/dbraw/zinc/12/27/99/996122799.db2.gz SYOHTKUNLNEVTF-CYBMUJFWSA-N 1 3 319.409 -0.213 20 0 DBADHO C[NH+](C)CCCC(=O)N[C@H]1C[C@H](NCCS(C)(=O)=O)C1 ZINC001389888209 996130212 /nfs/dbraw/zinc/13/02/12/996130212.db2.gz XUDCGJBSYYUXRN-HAQNSBGRSA-N 1 3 305.444 -0.390 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1)N(C)C ZINC001389998037 996159733 /nfs/dbraw/zinc/15/97/33/996159733.db2.gz JTEGLNNKZCSWLO-XGUBFFRZSA-N 1 3 323.441 -0.179 20 0 DBADHO C[C@@H](N[C@@H](C)CNC(=O)c1cnn(CC[NH+](C)C)c1)C(N)=O ZINC001390490351 996277264 /nfs/dbraw/zinc/27/72/64/996277264.db2.gz CSEAMBSGUSQARM-WDEREUQCSA-N 1 3 310.402 -0.974 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001390512872 996283986 /nfs/dbraw/zinc/28/39/86/996283986.db2.gz YNCKKWPTJPMQPN-STQMWFEESA-N 1 3 313.446 -0.308 20 0 DBADHO COC[C@H](O)CN(C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001390811737 996380824 /nfs/dbraw/zinc/38/08/24/996380824.db2.gz GJQVNOCIAMOAIT-MELADBBJSA-N 1 3 301.431 -0.228 20 0 DBADHO COC[C@H](O)CN(C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001390811737 996380829 /nfs/dbraw/zinc/38/08/29/996380829.db2.gz GJQVNOCIAMOAIT-MELADBBJSA-N 1 3 301.431 -0.228 20 0 DBADHO C[C@@H]([NH2+]CCN(C)C(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001391201029 996486333 /nfs/dbraw/zinc/48/63/33/996486333.db2.gz KWEBIPNWJMULEW-SNVBAGLBSA-N 1 3 313.402 -0.898 20 0 DBADHO O=C(CN1CCCC1)NCC[C@H]1CC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC001391330936 996516115 /nfs/dbraw/zinc/51/61/15/996516115.db2.gz SNXYLQAGEXLNNF-UONOGXRCSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CN1CCCC1)NCC[C@H]1CC[N@H+]([C@@H]2CCNC2=O)C1 ZINC001391330936 996516122 /nfs/dbraw/zinc/51/61/22/996516122.db2.gz SNXYLQAGEXLNNF-UONOGXRCSA-N 1 3 308.426 -0.201 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001493695279 1016039976 /nfs/dbraw/zinc/03/99/76/1016039976.db2.gz OVRQKWHZZKMXET-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN1CC[C@H](NCCN(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1=O ZINC001493695279 1016039984 /nfs/dbraw/zinc/03/99/84/1016039984.db2.gz OVRQKWHZZKMXET-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)N2CCCC2)C1 ZINC001493694069 1016040668 /nfs/dbraw/zinc/04/06/68/1016040668.db2.gz BMXNXUPKPAMVOM-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)N2CCCC2)C1 ZINC001493694069 1016040682 /nfs/dbraw/zinc/04/06/82/1016040682.db2.gz BMXNXUPKPAMVOM-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO CN(CCNCC(N)=O)C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC001493702631 1016043147 /nfs/dbraw/zinc/04/31/47/1016043147.db2.gz UIHVXOCWLJATDC-CABCVRRESA-N 1 3 318.421 -0.135 20 0 DBADHO CN(CCNCC(N)=O)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001493702631 1016043158 /nfs/dbraw/zinc/04/31/58/1016043158.db2.gz UIHVXOCWLJATDC-CABCVRRESA-N 1 3 318.421 -0.135 20 0 DBADHO CC[C@H](CNC(=O)CC[NH+](C)C)NCC(=O)N1CCOCC1 ZINC001391720947 996617008 /nfs/dbraw/zinc/61/70/08/996617008.db2.gz KQMMPKHHHUEOIO-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO COC[C@H](O)CN1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001392027102 996694418 /nfs/dbraw/zinc/69/44/18/996694418.db2.gz OLSBCDKEFQYKAE-CQSZACIVSA-N 1 3 313.442 -0.130 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001392122419 996735583 /nfs/dbraw/zinc/73/55/83/996735583.db2.gz TZBGIOFVENQMHU-QWRGUYRKSA-N 1 3 315.418 -0.652 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)[C@@H](C)CN[C@@H](C)C(=O)NC(N)=O ZINC001392122419 996735585 /nfs/dbraw/zinc/73/55/85/996735585.db2.gz TZBGIOFVENQMHU-QWRGUYRKSA-N 1 3 315.418 -0.652 20 0 DBADHO CNC(=O)CN1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001404526920 996808609 /nfs/dbraw/zinc/80/86/09/996808609.db2.gz NKVKOYAKHPYCNQ-ZDUSSCGKSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001404620683 996828820 /nfs/dbraw/zinc/82/88/20/996828820.db2.gz RMOUMBPALLNABS-JSGCOSHPSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001404620683 996828825 /nfs/dbraw/zinc/82/88/25/996828825.db2.gz RMOUMBPALLNABS-JSGCOSHPSA-N 1 3 310.442 -0.018 20 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CCCN(C)CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001396912587 998921745 /nfs/dbraw/zinc/92/17/45/998921745.db2.gz HZAPEBDXALFTFQ-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1 ZINC001397351532 999019182 /nfs/dbraw/zinc/01/91/82/999019182.db2.gz BXLHELUJBDCSFY-SZOQZIPDSA-N 1 3 322.453 -0.147 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH+](CCO)CCO)C1 ZINC001397785216 999131725 /nfs/dbraw/zinc/13/17/25/999131725.db2.gz IXCMKQUBHZRHQO-AWEZNQCLSA-N 1 3 301.431 -0.394 20 0 DBADHO CN(C)C1(C(=O)N(C)CCNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001397928810 999175057 /nfs/dbraw/zinc/17/50/57/999175057.db2.gz PBFBUFAJUVJPEA-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C1(C(=O)N(C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)CCC1 ZINC001397928810 999175062 /nfs/dbraw/zinc/17/50/62/999175062.db2.gz PBFBUFAJUVJPEA-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)CN[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001398399780 999264189 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DBADHO CNC(=O)[C@@H](C)NC[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001420761223 1000236612 /nfs/dbraw/zinc/23/66/12/1000236612.db2.gz OSGNMFOWOCOJOT-RISCZKNCSA-N 1 3 310.442 -0.053 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001420833009 1000257569 /nfs/dbraw/zinc/25/75/69/1000257569.db2.gz IVEJQMCRSNJWML-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CN1CC[C@@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001420833009 1000257573 /nfs/dbraw/zinc/25/75/73/1000257573.db2.gz IVEJQMCRSNJWML-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001421136203 1000380341 /nfs/dbraw/zinc/38/03/41/1000380341.db2.gz IXPDZKAHDFYKOX-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CC(CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001421136203 1000380349 /nfs/dbraw/zinc/38/03/49/1000380349.db2.gz IXPDZKAHDFYKOX-GJZGRUSLSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H](O)CN1CCC[C@](CO)(NC(=O)CCC[NH+](C)C)C1 ZINC001421620232 1000567736 /nfs/dbraw/zinc/56/77/36/1000567736.db2.gz PEJQBXLEQTWVIX-ZFWWWQNUSA-N 1 3 301.431 -0.348 20 0 DBADHO CN(C)C(=O)CNC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC001421795424 1000627790 /nfs/dbraw/zinc/62/77/90/1000627790.db2.gz VCRCIYQXBNYLSU-UHFFFAOYSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1NCC(=O)NC1CC1 ZINC001422048559 1000707770 /nfs/dbraw/zinc/70/77/70/1000707770.db2.gz MVNXRCWMWJTAED-OCCSQVGLSA-N 1 3 320.437 -0.203 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCC(O)(CN[C@@H](C)C(N)=O)CC1 ZINC001422105640 1000726465 /nfs/dbraw/zinc/72/64/65/1000726465.db2.gz WVGSQWDLQHWKIX-LBPRGKRZSA-N 1 3 314.430 -0.855 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCC(O)(CN[C@@H](C)C(N)=O)CC1 ZINC001422105640 1000726468 /nfs/dbraw/zinc/72/64/68/1000726468.db2.gz WVGSQWDLQHWKIX-LBPRGKRZSA-N 1 3 314.430 -0.855 20 0 DBADHO C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)NCC(=O)N1CCC1 ZINC001410374615 1000744177 /nfs/dbraw/zinc/74/41/77/1000744177.db2.gz ICVASWKNELAIAC-UKRRQHHQSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)N[C@H]1CCN(C)C1=O ZINC001410431016 1000766002 /nfs/dbraw/zinc/76/60/02/1000766002.db2.gz GXXCVPBAKAZUAC-JSGCOSHPSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cccnc2)CC[N@@H+]1C ZINC001422312667 1000819369 /nfs/dbraw/zinc/81/93/69/1000819369.db2.gz KUULGEXCUAEFQT-BPLDGKMQSA-N 1 3 306.410 -0.012 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC[C@H](O)CNCc2cccnc2)CC[N@H+]1C ZINC001422312667 1000819371 /nfs/dbraw/zinc/81/93/71/1000819371.db2.gz KUULGEXCUAEFQT-BPLDGKMQSA-N 1 3 306.410 -0.012 20 0 DBADHO C[C@H]([NH2+]C[C@H](O)CNC(=O)C(C)(C)N1CCCCC1)C(N)=O ZINC001422316675 1000821586 /nfs/dbraw/zinc/82/15/86/1000821586.db2.gz RLIPYLGWTUXMIK-RYUDHWBXSA-N 1 3 314.430 -0.809 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@H](O)CNCc1ccnn1C)[NH+](C)C ZINC001422323058 1000824774 /nfs/dbraw/zinc/82/47/74/1000824774.db2.gz HWRNYPWLRSVRNV-KBPBESRZSA-N 1 3 311.430 -0.427 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H](O)C[NH2+]Cc2ccnn2C)C1 ZINC001422361686 1000843460 /nfs/dbraw/zinc/84/34/60/1000843460.db2.gz OTJAKRYBGZGVRT-TZMCWYRMSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C23CC[NH+](CC2)C3)cn1 ZINC001422406037 1000862823 /nfs/dbraw/zinc/86/28/23/1000862823.db2.gz WVTRPGOBXYHELT-CYBMUJFWSA-N 1 3 307.398 -0.917 20 0 DBADHO CN(C)C(=O)CNC[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001422409777 1000865344 /nfs/dbraw/zinc/86/53/44/1000865344.db2.gz BKFCRUYBVZXUGG-CYBMUJFWSA-N 1 3 314.430 -0.983 20 0 DBADHO C[C@H](C[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)CC(C)(C)C ZINC001422548738 1000905895 /nfs/dbraw/zinc/90/58/95/1000905895.db2.gz HHWIWZARMFOXNV-SNVBAGLBSA-N 1 3 315.418 -0.747 20 0 DBADHO CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](C[C@H](O)COC)C1)N(C)C ZINC001422739967 1000992399 /nfs/dbraw/zinc/99/23/99/1000992399.db2.gz PWSINUYDHBSVAM-UBHSHLNASA-N 1 3 301.431 -0.230 20 0 DBADHO CN(CC(=O)N(C)C[C@@H](O)C[N@H+](C)CCO)CC(C)(C)C ZINC001411189197 1001068074 /nfs/dbraw/zinc/06/80/74/1001068074.db2.gz IUTYEWPPOJPYOZ-ZDUSSCGKSA-N 1 3 303.447 -0.292 20 0 DBADHO CN(CC(=O)N(C)C[C@@H](O)C[N@@H+](C)CCO)CC(C)(C)C ZINC001411189197 1001068080 /nfs/dbraw/zinc/06/80/80/1001068080.db2.gz IUTYEWPPOJPYOZ-ZDUSSCGKSA-N 1 3 303.447 -0.292 20 0 DBADHO C[C@@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001423065701 1001105109 /nfs/dbraw/zinc/10/51/09/1001105109.db2.gz APWKGWAMNLNVEH-JTQLQIEISA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCC(=O)N1CCC1 ZINC001423103264 1001118971 /nfs/dbraw/zinc/11/89/71/1001118971.db2.gz KMIHOVSVQQMHEU-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CN1CCCC1)C(=O)NC(N)=O ZINC001423161990 1001140951 /nfs/dbraw/zinc/14/09/51/1001140951.db2.gz CHIHXFLORKVTAN-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H]1C[C@@H](NCC(=O)NC2CC2)CN1C(=O)C12CC[NH+](CC1)C2 ZINC001423341258 1001262278 /nfs/dbraw/zinc/26/22/78/1001262278.db2.gz KQYLSEDPIUDVKR-GXTWGEPZSA-N 1 3 320.437 -0.060 20 0 DBADHO C[C@H](C(=O)N(C)C[C@@H](O)CNCC(N)=O)[NH+]1CCCCCC1 ZINC001423463114 1001320176 /nfs/dbraw/zinc/32/01/76/1001320176.db2.gz HHQDZJUTJXITHO-OLZOCXBDSA-N 1 3 314.430 -0.855 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1cnn(C)c1)N(C)C ZINC001423477403 1001331153 /nfs/dbraw/zinc/33/11/53/1001331153.db2.gz YDLZWAYEMBIUQN-KGLIPLIRSA-N 1 3 311.430 -0.331 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001424033799 1001551173 /nfs/dbraw/zinc/55/11/73/1001551173.db2.gz DFKZFOKOAWQYNJ-ZFWWWQNUSA-N 1 3 301.431 -0.348 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@]1(CO)CCCN(C[C@H](C)O)C1 ZINC001424033799 1001551178 /nfs/dbraw/zinc/55/11/78/1001551178.db2.gz DFKZFOKOAWQYNJ-ZFWWWQNUSA-N 1 3 301.431 -0.348 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001424000011 1001543103 /nfs/dbraw/zinc/54/31/03/1001543103.db2.gz XZFHAACQIGICJT-ZNMIVQPWSA-N 1 3 322.453 -0.005 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@@H]2C1 ZINC001424000011 1001543109 /nfs/dbraw/zinc/54/31/09/1001543109.db2.gz XZFHAACQIGICJT-ZNMIVQPWSA-N 1 3 322.453 -0.005 20 0 DBADHO C[C@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001424477288 1001648587 /nfs/dbraw/zinc/64/85/87/1001648587.db2.gz HCGRNRGKRGHXLH-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001495086184 1016546949 /nfs/dbraw/zinc/54/69/49/1016546949.db2.gz MWMMAHZMSPBSMN-RYUDHWBXSA-N 1 3 314.430 -0.545 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001425362070 1002014645 /nfs/dbraw/zinc/01/46/45/1002014645.db2.gz SOQCSPMISPYSIC-YIYPIFLZSA-N 1 3 310.442 -0.114 20 0 DBADHO CC[C@H](C(N)=O)N1C[C@@H]2[C@@H](CNC(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001425362070 1002014657 /nfs/dbraw/zinc/01/46/57/1002014657.db2.gz SOQCSPMISPYSIC-YIYPIFLZSA-N 1 3 310.442 -0.114 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001425395386 1002040290 /nfs/dbraw/zinc/04/02/90/1002040290.db2.gz ZVPLNVXODRJVBC-IHRRRGAJSA-N 1 3 313.442 -0.038 20 0 DBADHO CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC001434422920 1002464013 /nfs/dbraw/zinc/46/40/13/1002464013.db2.gz PGEORAAHFFISTQ-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC001434422920 1002464022 /nfs/dbraw/zinc/46/40/22/1002464022.db2.gz PGEORAAHFFISTQ-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO CN(CCO)CCN(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC001434733552 1002582447 /nfs/dbraw/zinc/58/24/47/1002582447.db2.gz HYDVXZWEYUWTCC-UHFFFAOYSA-N 1 3 312.418 -0.168 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001425977002 1002589772 /nfs/dbraw/zinc/58/97/72/1002589772.db2.gz SXSJNISTMFCLKW-GFCCVEGCSA-N 1 3 308.426 -0.345 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001426209434 1002720245 /nfs/dbraw/zinc/72/02/45/1002720245.db2.gz SERHMHISFXGQGV-BPCQOVAHSA-N 1 3 316.421 -0.009 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001415234732 1002765524 /nfs/dbraw/zinc/76/55/24/1002765524.db2.gz ZPGHSZIRGNLEGG-CMPLNLGQSA-N 1 3 307.398 -0.167 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001415234732 1002765543 /nfs/dbraw/zinc/76/55/43/1002765543.db2.gz ZPGHSZIRGNLEGG-CMPLNLGQSA-N 1 3 307.398 -0.167 20 0 DBADHO C[NH+]1CCC(C(=O)N2CC[C@H](NCCS(C)(=O)=O)C2)CC1 ZINC001436872233 1002816231 /nfs/dbraw/zinc/81/62/31/1002816231.db2.gz PRKGDQDAOUYNJT-ZDUSSCGKSA-N 1 3 317.455 -0.437 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436895607 1002821737 /nfs/dbraw/zinc/82/17/37/1002821737.db2.gz JTHJBMVPKPZLDS-LPWJVIDDSA-N 1 3 314.405 -0.208 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001436895605 1002822824 /nfs/dbraw/zinc/82/28/24/1002822824.db2.gz JTHJBMVPKPZLDS-FDYHWXHSSA-N 1 3 314.405 -0.208 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001436902215 1002823176 /nfs/dbraw/zinc/82/31/76/1002823176.db2.gz ZLKNHCFWKOMQQQ-DDHJBXDOSA-N 1 3 302.394 -0.223 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+][C@H]3CCCNC3=O)C2)CCC1 ZINC001436956428 1002832602 /nfs/dbraw/zinc/83/26/02/1002832602.db2.gz VOXANBGZZVEMAM-XQQFMLRXSA-N 1 3 308.426 -0.014 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@@H]([NH2+][C@@H]3CCCNC3=O)C2)CCC1 ZINC001436956427 1002833550 /nfs/dbraw/zinc/83/35/50/1002833550.db2.gz VOXANBGZZVEMAM-FRRDWIJNSA-N 1 3 308.426 -0.014 20 0 DBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)C[NH2+]CC(=O)NC(N)=O ZINC001495683612 1016687542 /nfs/dbraw/zinc/68/75/42/1016687542.db2.gz JMHKDVXHWMHSPA-JTQLQIEISA-N 1 3 313.402 -0.993 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001415669946 1002945717 /nfs/dbraw/zinc/94/57/17/1002945717.db2.gz PKAONWNWQYBFPR-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(=O)[C@@H]1CCCN1C ZINC001415669946 1002945732 /nfs/dbraw/zinc/94/57/32/1002945732.db2.gz PKAONWNWQYBFPR-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC001427374567 1003095004 /nfs/dbraw/zinc/09/50/04/1003095004.db2.gz PKNXRRALGQOYJX-MJBXVCDLSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC001427374567 1003095021 /nfs/dbraw/zinc/09/50/21/1003095021.db2.gz PKNXRRALGQOYJX-MJBXVCDLSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN1CC[C@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001437721907 1003166600 /nfs/dbraw/zinc/16/66/00/1003166600.db2.gz LPHDAALRIAERLB-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CN(C)C(C)C ZINC001438719196 1003611043 /nfs/dbraw/zinc/61/10/43/1003611043.db2.gz ZWHNFUJBUXDZGJ-NSHDSACASA-N 1 3 315.418 -0.781 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CN(C)C(C)C ZINC001438719193 1003613410 /nfs/dbraw/zinc/61/34/10/1003613410.db2.gz ZWHNFUJBUXDZGJ-LLVKDONJSA-N 1 3 315.418 -0.781 20 0 DBADHO Cc1nn(C)cc1C[NH2+]C[C@H](O)CNC(=O)CN1CC[C@@H](C)C1 ZINC001439016713 1003833705 /nfs/dbraw/zinc/83/37/05/1003833705.db2.gz DPJBEPRDVUOBDU-DOMZBBRYSA-N 1 3 323.441 -0.363 20 0 DBADHO CC(C)c1nc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)n[nH]1 ZINC001439048397 1003852461 /nfs/dbraw/zinc/85/24/61/1003852461.db2.gz UDHXHDPPWGCVEB-NWDGAFQWSA-N 1 3 324.429 -0.554 20 0 DBADHO CC(C)c1nc(CNC[C@@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)n[nH]1 ZINC001439048397 1003852468 /nfs/dbraw/zinc/85/24/68/1003852468.db2.gz UDHXHDPPWGCVEB-NWDGAFQWSA-N 1 3 324.429 -0.554 20 0 DBADHO C[C@@H](NC[C@@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1)C(N)=O ZINC001496061262 1016830731 /nfs/dbraw/zinc/83/07/31/1016830731.db2.gz LZKSGLHEAGVVPX-VXGBXAGGSA-N 1 3 324.429 -0.631 20 0 DBADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001439121603 1003871187 /nfs/dbraw/zinc/87/11/87/1003871187.db2.gz ZKOCJWUGWNYGDM-ZJUUUORDSA-N 1 3 313.402 -0.852 20 0 DBADHO C[C@H](CNCC(=O)NCC(F)(F)F)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001439179770 1003880114 /nfs/dbraw/zinc/88/01/14/1003880114.db2.gz XEZIBDVGNZGSSE-ZJUUUORDSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@H](CNCC(=O)NCC(F)(F)F)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001439179770 1003880115 /nfs/dbraw/zinc/88/01/15/1003880115.db2.gz XEZIBDVGNZGSSE-ZJUUUORDSA-N 1 3 324.347 -0.289 20 0 DBADHO CC(C)NC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001439488916 1004018837 /nfs/dbraw/zinc/01/88/37/1004018837.db2.gz AIGGIJUSDNJCCE-KGLIPLIRSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CNC[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001439488916 1004018847 /nfs/dbraw/zinc/01/88/47/1004018847.db2.gz AIGGIJUSDNJCCE-KGLIPLIRSA-N 1 3 310.442 -0.053 20 0 DBADHO CNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001417791408 1004039321 /nfs/dbraw/zinc/03/93/21/1004039321.db2.gz LRAOAIKTNDHOHK-XUXIUFHCSA-N 1 3 310.442 -0.053 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O ZINC001439787415 1004117172 /nfs/dbraw/zinc/11/71/72/1004117172.db2.gz DRXMXWFCBYMILN-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1CCN(C[C@H](O)Cn2cccn2)C1 ZINC001417947156 1004134389 /nfs/dbraw/zinc/13/43/89/1004134389.db2.gz YRDWMIJWCUWNEA-KBPBESRZSA-N 1 3 309.414 -0.614 20 0 DBADHO CN(C)C(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001418010381 1004161962 /nfs/dbraw/zinc/16/19/62/1004161962.db2.gz PHHTZDAMXDETGH-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C(=O)CN[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418010381 1004161968 /nfs/dbraw/zinc/16/19/68/1004161968.db2.gz PHHTZDAMXDETGH-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001418010384 1004162300 /nfs/dbraw/zinc/16/23/00/1004162300.db2.gz PHHTZDAMXDETGH-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)C(=O)CN[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001418010384 1004162304 /nfs/dbraw/zinc/16/23/04/1004162304.db2.gz PHHTZDAMXDETGH-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@H](CN[C@@H](C)C(=O)N(C)C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001496207485 1016863518 /nfs/dbraw/zinc/86/35/18/1016863518.db2.gz QCJPMVMTHZLQFK-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CNC(=O)CN1CC[C@H](C)C1)[NH2+]CC(=O)NCC1CC1 ZINC001418276754 1004310520 /nfs/dbraw/zinc/31/05/20/1004310520.db2.gz RTQOKNJCENYPRC-STQMWFEESA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCCC(=O)N1CC[C@H](NCCS(C)(=O)=O)C1 ZINC001418331621 1004344001 /nfs/dbraw/zinc/34/40/01/1004344001.db2.gz QNPCSOUVQGULJM-LBPRGKRZSA-N 1 3 305.444 -0.437 20 0 DBADHO O=C(C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH]cn2)C1)NC1CC1 ZINC001418349323 1004354501 /nfs/dbraw/zinc/35/45/01/1004354501.db2.gz GCXMRPZGPCHRIT-LLVKDONJSA-N 1 3 305.382 -0.331 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[N@@H+](C)C[C@@H](O)COC ZINC001418527051 1004454232 /nfs/dbraw/zinc/45/42/32/1004454232.db2.gz JGSVBAIPBJVVOE-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[N@H+](C)C[C@@H](O)COC ZINC001418527051 1004454227 /nfs/dbraw/zinc/45/42/27/1004454227.db2.gz JGSVBAIPBJVVOE-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CN(C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1)[C@H]1CCN(C)C1=O ZINC001418937672 1004721822 /nfs/dbraw/zinc/72/18/22/1004721822.db2.gz JCTQHUWAWKGGLX-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO COC[C@H](O)CN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001419023828 1004772840 /nfs/dbraw/zinc/77/28/40/1004772840.db2.gz WPZKGKQHGZVFBD-HUUCEWRRSA-N 1 3 311.426 -0.617 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)NCC2CC2)C2CC2)C1 ZINC001419305574 1004855007 /nfs/dbraw/zinc/85/50/07/1004855007.db2.gz GGLKGYMFCQDFAD-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](NCC(=O)NCC2CC2)C2CC2)C1 ZINC001419305574 1004855009 /nfs/dbraw/zinc/85/50/09/1004855009.db2.gz GGLKGYMFCQDFAD-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO CNC(=O)[C@@H](C)N[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001419373230 1004863791 /nfs/dbraw/zinc/86/37/91/1004863791.db2.gz CTLQNJLRDWPNPO-OLZOCXBDSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(CC(=O)N[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)C1)C1CCC1 ZINC001419474567 1004883229 /nfs/dbraw/zinc/88/32/29/1004883229.db2.gz IHOZPKUTVPQSBF-BETUJISGSA-N 1 3 323.441 -0.267 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001419913594 1005016356 /nfs/dbraw/zinc/01/63/56/1005016356.db2.gz QETPNFMPGCSKTL-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC001419914731 1005016735 /nfs/dbraw/zinc/01/67/35/1005016735.db2.gz TUWUIZSWCYMORQ-QWRGUYRKSA-N 1 3 315.418 -0.733 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420200178 1005149548 /nfs/dbraw/zinc/14/95/48/1005149548.db2.gz VUSVBAHXNLYNPU-JSGCOSHPSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420200178 1005149552 /nfs/dbraw/zinc/14/95/52/1005149552.db2.gz VUSVBAHXNLYNPU-JSGCOSHPSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420200179 1005149915 /nfs/dbraw/zinc/14/99/15/1005149915.db2.gz VUSVBAHXNLYNPU-OCCSQVGLSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cncc1CNC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420200179 1005149919 /nfs/dbraw/zinc/14/99/19/1005149919.db2.gz VUSVBAHXNLYNPU-OCCSQVGLSA-N 1 3 309.414 -0.671 20 0 DBADHO CC(C)NC(=O)CNC[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001420294343 1005191255 /nfs/dbraw/zinc/19/12/55/1005191255.db2.gz LCZKDAQEQZPSFZ-OCCSQVGLSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001420507393 1005283827 /nfs/dbraw/zinc/28/38/27/1005283827.db2.gz MHRJTYPSABFJIE-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001420507393 1005283832 /nfs/dbraw/zinc/28/38/32/1005283832.db2.gz MHRJTYPSABFJIE-GXTWGEPZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCCC(=O)NCC1(NCC(=O)NC(N)=O)CCC1 ZINC001440332504 1006061455 /nfs/dbraw/zinc/06/14/55/1006061455.db2.gz LMAROKLJMCAZEV-UHFFFAOYSA-N 1 3 313.402 -0.848 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)N(C)C)C2)C1 ZINC001440358403 1006073839 /nfs/dbraw/zinc/07/38/39/1006073839.db2.gz RWKXZVOSUBRDJU-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO COC[C@H](O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001440427357 1006121220 /nfs/dbraw/zinc/12/12/20/1006121220.db2.gz MSGMDKLPUDGZCT-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCN1C ZINC001440427357 1006121235 /nfs/dbraw/zinc/12/12/35/1006121235.db2.gz MSGMDKLPUDGZCT-KGLIPLIRSA-N 1 3 301.431 -0.132 20 0 DBADHO C[NH+](C)CCC(=O)N1CCO[C@H](CN[C@H]2CCCNC2=O)C1 ZINC001440376558 1006083873 /nfs/dbraw/zinc/08/38/73/1006083873.db2.gz KYXZFEMTCSVXOF-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO CC(C)N(C)CC(=O)N1CCO[C@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001440399311 1006099289 /nfs/dbraw/zinc/09/92/89/1006099289.db2.gz LRMLXHWFGGJHDT-NWDGAFQWSA-N 1 3 300.403 -0.983 20 0 DBADHO COCCN1CCC(CO)(NC(=O)CCC[NH+](C)C)CC1 ZINC001440696908 1006267275 /nfs/dbraw/zinc/26/72/75/1006267275.db2.gz KSZDSHYOJXJQQW-UHFFFAOYSA-N 1 3 301.431 -0.082 20 0 DBADHO C[C@@H](NCC(N)=O)[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001440839613 1006325541 /nfs/dbraw/zinc/32/55/41/1006325541.db2.gz SXMLFSALBCIEMR-MNOVXSKESA-N 1 3 300.403 -0.935 20 0 DBADHO Cc1[nH]cnc1CC(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001429549047 1006474529 /nfs/dbraw/zinc/47/45/29/1006474529.db2.gz ONKYHAOCQZUNCI-GFCCVEGCSA-N 1 3 307.398 -0.071 20 0 DBADHO CCNC(=O)C[NH2+][C@@H](CNC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001441228150 1006528859 /nfs/dbraw/zinc/52/88/59/1006528859.db2.gz RROMSIPASYNOKT-JSGCOSHPSA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)CN[C@H](C)[C@H]1CN(C(=O)CCC[NH+](C)C)CCO1 ZINC001441310030 1006572459 /nfs/dbraw/zinc/57/24/59/1006572459.db2.gz CPHPQXCLHCFGHJ-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC001441327510 1006587052 /nfs/dbraw/zinc/58/70/52/1006587052.db2.gz HCGTZAZHYRHHQW-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H]([C@@H](C)NCC(N)=O)C1 ZINC001441327510 1006587065 /nfs/dbraw/zinc/58/70/65/1006587065.db2.gz HCGTZAZHYRHHQW-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CCNC(=O)CN[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001441332836 1006590320 /nfs/dbraw/zinc/59/03/20/1006590320.db2.gz BLZRIKZAOBDKAR-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@H](NCC(=O)Nc2ccon2)C1 ZINC001441412793 1006636221 /nfs/dbraw/zinc/63/62/21/1006636221.db2.gz CEMKGZXNJQLYQX-XYPYZODXSA-N 1 3 309.370 -0.198 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001441494507 1006685531 /nfs/dbraw/zinc/68/55/31/1006685531.db2.gz ZLKNHCFWKOMQQQ-YFKTTZPYSA-N 1 3 302.394 -0.223 20 0 DBADHO C[C@@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]CCN1CCNC1=O ZINC001441597722 1006748678 /nfs/dbraw/zinc/74/86/78/1006748678.db2.gz GACBMQQINVHACW-NSHDSACASA-N 1 3 308.386 -0.586 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001430308201 1006811398 /nfs/dbraw/zinc/81/13/98/1006811398.db2.gz QRBWXMJUMOLXPN-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001430308201 1006811403 /nfs/dbraw/zinc/81/14/03/1006811403.db2.gz QRBWXMJUMOLXPN-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)NCC(=O)NC1CC1 ZINC001441815780 1006887236 /nfs/dbraw/zinc/88/72/36/1006887236.db2.gz CRJNSXMAGRHTAH-RISCZKNCSA-N 1 3 308.426 -0.299 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)C2(C[NH+](C)C)CC2)cn1 ZINC001497053074 1017226958 /nfs/dbraw/zinc/22/69/58/1017226958.db2.gz ZPVFBNDWLRIBBR-CQSZACIVSA-N 1 3 321.425 -0.306 20 0 DBADHO C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)NCC(N)=O ZINC001441955711 1007003615 /nfs/dbraw/zinc/00/36/15/1007003615.db2.gz VTSGFMVMKIENAB-LBPRGKRZSA-N 1 3 306.410 -0.016 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@H](O)C[NH2+]Cc1ccnn1C ZINC001442026179 1007093865 /nfs/dbraw/zinc/09/38/65/1007093865.db2.gz BKBGNOBFBXCXSJ-CQSZACIVSA-N 1 3 311.430 -0.331 20 0 DBADHO CC(C)N(C)CC(=O)N(C)C[C@@H](O)C[NH2+][C@H]1CCCNC1=O ZINC001442042145 1007124930 /nfs/dbraw/zinc/12/49/30/1007124930.db2.gz WNQVEOWGQBKCKM-STQMWFEESA-N 1 3 314.430 -0.986 20 0 DBADHO C[C@H](O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442043519 1007131522 /nfs/dbraw/zinc/13/15/22/1007131522.db2.gz BJQDMSZUYIIYSI-STQMWFEESA-N 1 3 301.431 -0.397 20 0 DBADHO C[C@H](O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1 ZINC001442043519 1007131526 /nfs/dbraw/zinc/13/15/26/1007131526.db2.gz BJQDMSZUYIIYSI-STQMWFEESA-N 1 3 301.431 -0.397 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCOCC1 ZINC001442061700 1007163981 /nfs/dbraw/zinc/16/39/81/1007163981.db2.gz HPZOKKNGTDHDFU-CYBMUJFWSA-N 1 3 314.430 -0.720 20 0 DBADHO COC[C@@H](O)CN(C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001442532733 1007532459 /nfs/dbraw/zinc/53/24/59/1007532459.db2.gz GMSDRZZLCLJEIF-AWEZNQCLSA-N 1 3 301.431 -0.226 20 0 DBADHO CN(CC(N)=O)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001443337447 1007834761 /nfs/dbraw/zinc/83/47/61/1007834761.db2.gz VBJSDJFMDGSDJI-OAHLLOKOSA-N 1 3 322.453 -0.016 20 0 DBADHO CCNC(=O)CN1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001496864625 1017079207 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1009830979 /nfs/dbraw/zinc/83/09/79/1009830979.db2.gz WKIKEPZHSGEFJN-UONOGXRCSA-N 1 3 308.426 -0.203 20 0 DBADHO CNC(=O)CN[C@@H](C)CN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001448736519 1009860758 /nfs/dbraw/zinc/86/07/58/1009860758.db2.gz NAWHJQLMHCCXGH-LBPRGKRZSA-N 1 3 324.429 -0.759 20 0 DBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n[nH]1 ZINC001449116776 1010270979 /nfs/dbraw/zinc/27/09/79/1010270979.db2.gz DOVACAHFDINLIK-KGYLQXTDSA-N 1 3 324.429 -0.638 20 0 DBADHO Cc1nc(CNC[C@H](O)CN(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n[nH]1 ZINC001449116776 1010270997 /nfs/dbraw/zinc/27/09/97/1010270997.db2.gz DOVACAHFDINLIK-KGYLQXTDSA-N 1 3 324.429 -0.638 20 0 DBADHO CN(CC(=O)N1CCC[C@@H]([NH+](CCO)CCO)C1)C1CCC1 ZINC001479655584 1010327114 /nfs/dbraw/zinc/32/71/14/1010327114.db2.gz XSZJOOZCZGHINW-OAHLLOKOSA-N 1 3 313.442 -0.252 20 0 DBADHO COCCN(CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001479659745 1010332175 /nfs/dbraw/zinc/33/21/75/1010332175.db2.gz NGSJXNLHLAFQMK-AWEZNQCLSA-N 1 3 301.431 -0.130 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](CCO)CCCO)C1)N(C)C ZINC001479660419 1010332765 /nfs/dbraw/zinc/33/27/65/1010332765.db2.gz YTXIPOXAWXKMOV-CABCVRRESA-N 1 3 315.458 -0.006 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](CCO)CCCO)C1)N(C)C ZINC001479660419 1010332771 /nfs/dbraw/zinc/33/27/71/1010332771.db2.gz YTXIPOXAWXKMOV-CABCVRRESA-N 1 3 315.458 -0.006 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001449174883 1010341040 /nfs/dbraw/zinc/34/10/40/1010341040.db2.gz FBKNLFJMWFSJPE-ZFWWWQNUSA-N 1 3 323.441 -0.411 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001449174883 1010341059 /nfs/dbraw/zinc/34/10/59/1010341059.db2.gz FBKNLFJMWFSJPE-ZFWWWQNUSA-N 1 3 323.441 -0.411 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001449217739 1010384922 /nfs/dbraw/zinc/38/49/22/1010384922.db2.gz RIDPIFSAYHHQCZ-KBPBESRZSA-N 1 3 301.431 -0.274 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CN1CC[C@H](C)C1 ZINC001449217739 1010384934 /nfs/dbraw/zinc/38/49/34/1010384934.db2.gz RIDPIFSAYHHQCZ-KBPBESRZSA-N 1 3 301.431 -0.274 20 0 DBADHO CNC(=O)[C@@H](C)N[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001480043368 1010513154 /nfs/dbraw/zinc/51/31/54/1010513154.db2.gz NNNVXXVFIASIKT-YPMHNXCESA-N 1 3 310.442 -0.053 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CCS(C)(=O)=O)C2)CCC1 ZINC001480142319 1010554654 /nfs/dbraw/zinc/55/46/54/1010554654.db2.gz OAYFBHONIDPAML-HAQNSBGRSA-N 1 3 317.455 -0.248 20 0 DBADHO C[NH+](C)CCC(=O)N[C@H]1C[C@@H](NCC(=O)Nc2cnccn2)C1 ZINC001480221335 1010580450 /nfs/dbraw/zinc/58/04/50/1010580450.db2.gz YIFKXDZYLPRWEM-TXEJJXNPSA-N 1 3 320.397 -0.396 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001480394724 1010627215 /nfs/dbraw/zinc/62/72/15/1010627215.db2.gz CREOVSBJXZOOEU-MEBFFEOJSA-N 1 3 308.426 -0.396 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001480394724 1010627218 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CCNC(=O)NC(=O)CNC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001482323900 1011118937 /nfs/dbraw/zinc/11/89/37/1011118937.db2.gz ANGGVDNROGMGMA-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO CN(CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1)C[C@@H](O)Cn1cccn1 ZINC001482649241 1011251086 /nfs/dbraw/zinc/25/10/86/1011251086.db2.gz JAYOIGTVZSPWOZ-HUUCEWRRSA-N 1 3 323.441 -0.414 20 0 DBADHO CN(CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C[C@@H](O)Cn1cccn1 ZINC001482649241 1011251102 /nfs/dbraw/zinc/25/11/02/1011251102.db2.gz JAYOIGTVZSPWOZ-HUUCEWRRSA-N 1 3 323.441 -0.414 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001482734568 1011351200 /nfs/dbraw/zinc/35/12/00/1011351200.db2.gz KWUSTHRMXCKHJX-LSDHHAIUSA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)CNCc1ccnn1C ZINC001482734568 1011351215 /nfs/dbraw/zinc/35/12/15/1011351215.db2.gz KWUSTHRMXCKHJX-LSDHHAIUSA-N 1 3 323.441 -0.139 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CNCc1ccnn1C ZINC001482734559 1011352394 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C[C@H](CNCC(N)=O)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483166200 1011749827 /nfs/dbraw/zinc/74/98/27/1011749827.db2.gz CITMFMGIMPIZAN-YGRLFVJLSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@H](CNCC(=O)NC(N)=O)NC(=O)CC1CC[NH+](C)CC1 ZINC001483172280 1011757608 /nfs/dbraw/zinc/75/76/08/1011757608.db2.gz LRDDHPDUAWRXMM-SNVBAGLBSA-N 1 3 313.402 -0.993 20 0 DBADHO C[C@H](C[NH2+]Cc1nccn1C)NC(=O)[C@H](C)CN1CCOCC1 ZINC001483194907 1011779557 /nfs/dbraw/zinc/77/95/57/1011779557.db2.gz QTKZEXXJGCCGQY-ZIAGYGMSSA-N 1 3 323.441 -0.017 20 0 DBADHO C[C@@H](CNCC(N)=O)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001483266048 1011820500 /nfs/dbraw/zinc/82/05/00/1011820500.db2.gz CITMFMGIMPIZAN-IINYFYTJSA-N 1 3 302.394 -0.222 20 0 DBADHO C[C@@H](CNCC(N)=O)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001483266048 1011820501 /nfs/dbraw/zinc/82/05/01/1011820501.db2.gz CITMFMGIMPIZAN-IINYFYTJSA-N 1 3 302.394 -0.222 20 0 DBADHO CN(CCC[NH2+]CCN1CCNC1=O)C(=O)Cc1c[nH]cn1 ZINC001483495437 1011889296 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CC[C@@H](C(=O)N1CCC[C@@](CO)([NH2+]CCOC)C1)N(C)C ZINC001484847568 1012876268 /nfs/dbraw/zinc/87/62/68/1012876268.db2.gz DGFNVNRPBFWXFO-DZGCQCFKSA-N 1 3 301.431 -0.084 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001484900620 1012893288 /nfs/dbraw/zinc/89/32/88/1012893288.db2.gz VJIYGDPTZZLILQ-GXTWGEPZSA-N 1 3 310.442 -0.099 20 0 DBADHO CC[N@H+](C)CCC(=O)NC1(CO)CCN(C[C@H](C)O)CC1 ZINC001485028365 1012953566 /nfs/dbraw/zinc/95/35/66/1012953566.db2.gz NXWAYLIIDHHWBW-ZDUSSCGKSA-N 1 3 301.431 -0.348 20 0 DBADHO CC[N@@H+](C)CCC(=O)NC1(CO)CCN(C[C@H](C)O)CC1 ZINC001485028365 1012953577 /nfs/dbraw/zinc/95/35/77/1012953577.db2.gz NXWAYLIIDHHWBW-ZDUSSCGKSA-N 1 3 301.431 -0.348 20 0 DBADHO CCN(CCN[C@H]1CCN(C)C1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001497383136 1017360884 /nfs/dbraw/zinc/36/08/84/1017360884.db2.gz GGHGYVNCRDADOB-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CCNCCS(C)(=O)=O)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497383270 1017361115 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C[C@@H](CCN1CCN(C)CC1)NC(=O)C[C@]1(O)CCC[NH2+]C1 ZINC001575961764 1019777839 /nfs/dbraw/zinc/77/78/39/1019777839.db2.gz HTRMHBHVRWNUJZ-GOEBONIOSA-N 1 3 312.458 -0.367 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC001576574116 1019868703 /nfs/dbraw/zinc/86/87/03/1019868703.db2.gz ROYXZGPASFZSAV-SWLSCSKDSA-N 1 3 312.414 -0.680 20 0 DBADHO C[C@H]1C[C@@H](CN2CCN(C(=O)Cn3cnnn3)CC2)CC[NH2+]1 ZINC001576598561 1019873164 /nfs/dbraw/zinc/87/31/64/1019873164.db2.gz OUENEAVKMOEIGX-STQMWFEESA-N 1 3 307.402 -0.795 20 0 DBADHO C[C@@H](C[NH2+]CCc1c[nH]nn1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001577138552 1020011323 /nfs/dbraw/zinc/01/13/23/1020011323.db2.gz OBAUAJJWQGYEDD-MVWJERBFSA-N 1 3 303.370 -0.032 20 0 DBADHO C[C@H](CN(C)C(=O)Cc1c[nH]cn1)[NH2+]C[C@@H](O)Cn1cccn1 ZINC001507131039 1020097512 /nfs/dbraw/zinc/09/75/12/1020097512.db2.gz WLJZUEIRWMDRKO-TZMCWYRMSA-N 1 3 320.397 -0.354 20 0 DBADHO C[C@@H](CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)NCC(=O)N1CCC1 ZINC001507124937 1020097777 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-0.351 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1=O ZINC001578419168 1020236137 /nfs/dbraw/zinc/23/61/37/1020236137.db2.gz ZDIIDDOATQUXII-MCIONIFRSA-N 1 3 308.426 -0.536 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1=O ZINC001578418642 1020236183 /nfs/dbraw/zinc/23/61/83/1020236183.db2.gz MUQNBSXGLFPNQD-KBUPBQIOSA-N 1 3 322.453 -0.099 20 0 DBADHO CN(CC(=O)N1CCC2(CC1)C[NH2+]CCO2)[C@@H]1CCC[C@H]1O ZINC001578435308 1020239749 /nfs/dbraw/zinc/23/97/49/1020239749.db2.gz ZZTGSGTWVKUCGR-ZIAGYGMSSA-N 1 3 311.426 -0.187 20 0 DBADHO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1=NOC2(CNC2)C1 ZINC001578524265 1020256616 /nfs/dbraw/zinc/25/66/16/1020256616.db2.gz CILYOOGOOSGERB-UHFFFAOYSA-N 1 3 323.441 -0.411 20 0 DBADHO CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)C1=NOC2(CNC2)C1 ZINC001578524265 1020256625 /nfs/dbraw/zinc/25/66/25/1020256625.db2.gz CILYOOGOOSGERB-UHFFFAOYSA-N 1 3 323.441 -0.411 20 0 DBADHO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1=NOC2(CNC2)C1 ZINC001578524265 1020256631 /nfs/dbraw/zinc/25/66/31/1020256631.db2.gz CILYOOGOOSGERB-UHFFFAOYSA-N 1 3 323.441 -0.411 20 0 DBADHO CN1CCN(CCNC(=O)[C@@]23C[NH2+]C[C@@H]2COC3)CC1(C)C ZINC001578533660 1020260678 /nfs/dbraw/zinc/26/06/78/1020260678.db2.gz RGROOJULLQHJOI-CZUORRHYSA-N 1 3 310.442 -0.635 20 0 DBADHO CN1CCNC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC001578538776 1020263053 /nfs/dbraw/zinc/26/30/53/1020263053.db2.gz SBLPLMDQOFLIKA-CABCVRRESA-N 1 3 310.442 -0.350 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@H]([NH2+]CCOCCO)[C@H]1C ZINC001507296914 1020277404 /nfs/dbraw/zinc/27/74/04/1020277404.db2.gz LKYXREMXVCXSMC-KGLIPLIRSA-N 1 3 301.431 -0.086 20 0 DBADHO CNS(=O)(=O)[C@@H]1CCCN(C[C@]2(O)CCC[NH2+]CC2)C1 ZINC001578745053 1020287081 /nfs/dbraw/zinc/28/70/81/1020287081.db2.gz RASBTMXNJDNVGI-OLZOCXBDSA-N 1 3 305.444 -0.495 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)Cc3c[nH]cn3)C[C@H]21 ZINC001507362616 1020299667 /nfs/dbraw/zinc/29/96/67/1020299667.db2.gz HWUGYSHURJFHEV-MRVWCRGKSA-N 1 3 319.409 -0.085 20 0 DBADHO COC1(OC)CCOC[C@H]1NCC1(O)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001578932453 1020331535 /nfs/dbraw/zinc/33/15/35/1020331535.db2.gz OUWVORBTGXZUBK-RBKKPWLPSA-N 1 3 300.399 -0.001 20 0 DBADHO COCC[C@@H](N)C[NH2+]CCC(=O)N1CCN(C(C)=O)CC1 ZINC001579004893 1020350456 /nfs/dbraw/zinc/35/04/56/1020350456.db2.gz XXEXRAMLYNVKTD-CYBMUJFWSA-N 1 3 300.403 -0.979 20 0 DBADHO COCCN(C)CCN1C[C@@H](NC(=O)C[NH2+]C2CC2)CC1=O ZINC001579022108 1020352680 /nfs/dbraw/zinc/35/26/80/1020352680.db2.gz RVOFBLFIEADBIW-ZDUSSCGKSA-N 1 3 312.414 -0.966 20 0 DBADHO C[S@](=O)C1(C(=O)N2CC(N[C@@H]3CCOC3)C2)CC[NH2+]CC1 ZINC001579355219 1020430453 /nfs/dbraw/zinc/43/04/53/1020430453.db2.gz QMGQCZAAIIVTTR-FIKIJFGZSA-N 1 3 315.439 -0.924 20 0 DBADHO CS[C@@H]1CN(C(=O)C2(C3(O)C[NH2+]C3)CCC2)C[C@@H]1N(C)C ZINC001579369509 1020432247 /nfs/dbraw/zinc/43/22/47/1020432247.db2.gz COBRGHJFZVFLAM-NWDGAFQWSA-N 1 3 313.467 -0.005 20 0 DBADHO Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001580000918 1020623076 /nfs/dbraw/zinc/62/30/76/1020623076.db2.gz LXCYGANRLZNYOF-ZDUSSCGKSA-N 1 3 307.398 -0.138 20 0 DBADHO NCC(=O)N1CCC[C@@H](C[NH2+][C@H]2CCN(C3CCC3)C2=O)C1 ZINC001580206565 1020667759 /nfs/dbraw/zinc/66/77/59/1020667759.db2.gz ILXVRBJXHIFIBR-JSGCOSHPSA-N 1 3 308.426 -0.073 20 0 DBADHO O=C(NC[C@H]1C[NH2+]CCO1)NC[C@@H]1CCCCN1CCO ZINC001580667300 1020777608 /nfs/dbraw/zinc/77/76/08/1020777608.db2.gz PHMHMHQYQPBLGB-QWHCGFSZSA-N 1 3 300.403 -0.879 20 0 DBADHO [NH3+]CCN1CCC[C@H](C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)C1=O ZINC001521463732 1021652071 /nfs/dbraw/zinc/65/20/71/1021652071.db2.gz MWEQFJAIYUXJKX-HZSPNIEDSA-N 1 3 324.425 -0.837 20 0 DBADHO C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)N[C@@H]1CCC(=O)NC1=O ZINC001567058828 1024495363 /nfs/dbraw/zinc/49/53/63/1024495363.db2.gz BBDAZBIXYCRDOL-WCQYABFASA-N 1 3 324.425 -0.382 20 0 DBADHO CN(CC[NH2+]CCN1C(=O)CCC1=O)C(=O)Cc1c[nH]cn1 ZINC001567566600 1024791122 /nfs/dbraw/zinc/79/11/22/1024791122.db2.gz XEKJJOWZXZAJAE-UHFFFAOYSA-N 1 3 307.354 -0.851 20 0 DBADHO COCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCCN1C(C)C ZINC001568583281 1024954614 /nfs/dbraw/zinc/95/46/14/1024954614.db2.gz RLLDCQBOHCWIHQ-ZIAGYGMSSA-N 1 3 301.431 -0.038 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@H](O)C[NH2+]CCO)N1CCCCC1 ZINC001568595269 1024963779 /nfs/dbraw/zinc/96/37/79/1024963779.db2.gz JLINGFYHHHDPOW-KGLIPLIRSA-N 1 3 301.431 -0.444 20 0 DBADHO C[C@@H](CC[NH2+]CC(=O)NC(N)=O)NC(=O)CN(C)C1CCC1 ZINC001568640655 1024975852 /nfs/dbraw/zinc/97/58/52/1024975852.db2.gz ODJVCOQTJROYSR-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001568791423 1025018181 /nfs/dbraw/zinc/01/81/81/1025018181.db2.gz IVMDPDXTTBLMIY-OLZOCXBDSA-N 1 3 324.425 -0.429 20 0 DBADHO CCN(CCN[C@H]1CCC(=O)NC1=O)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001568791423 1025018192 /nfs/dbraw/zinc/01/81/92/1025018192.db2.gz IVMDPDXTTBLMIY-OLZOCXBDSA-N 1 3 324.425 -0.429 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001568851335 1025047226 /nfs/dbraw/zinc/04/72/26/1025047226.db2.gz BWIPUXKPTVBXNY-TUCADOHPSA-N 1 3 308.426 -0.181 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C/CN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001568851335 1025047241 /nfs/dbraw/zinc/04/72/41/1025047241.db2.gz BWIPUXKPTVBXNY-TUCADOHPSA-N 1 3 308.426 -0.181 20 0 DBADHO CN(CCC[NH2+]CCN1C(=O)CCC1=O)C(=O)[C@H]1CCCN1C ZINC001569229682 1025179184 /nfs/dbraw/zinc/17/91/84/1025179184.db2.gz DXEQNPXOLMSUBP-CYBMUJFWSA-N 1 3 324.425 -0.332 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)C1CC[NH2+]CC1 ZINC001573624507 1026603423 /nfs/dbraw/zinc/60/34/23/1026603423.db2.gz CHFSGFJECJBRKP-NSHDSACASA-N 1 3 318.443 -0.880 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H](N)CCC(N)=O)CCN1c1cc[nH+]cc1 ZINC001573649865 1026606694 /nfs/dbraw/zinc/60/66/94/1026606694.db2.gz SJENSTIXAZHWSJ-DGCLKSJQSA-N 1 3 305.382 -0.289 20 0 DBADHO CCN1CCN(CCNS(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC001573778311 1026633363 /nfs/dbraw/zinc/63/33/63/1026633363.db2.gz UCGYMIRPRRRDBW-UHFFFAOYSA-N 1 3 318.487 -0.457 20 0 DBADHO C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)c2ccccc2O1 ZINC001573859036 1026642786 /nfs/dbraw/zinc/64/27/86/1026642786.db2.gz QSLHNYOZJQIHFR-NEPJUHHUSA-N 1 3 320.393 -0.065 20 0 DBADHO CN(C)[C@@H]1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000331776103 282195742 /nfs/dbraw/zinc/19/57/42/282195742.db2.gz OKVMZULHWKZAOT-DGAVXFQQSA-N 1 3 308.426 -0.265 20 0 DBADHO CC[NH+]1CCC(N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC000341684699 138112851 /nfs/dbraw/zinc/11/28/51/138112851.db2.gz QEHFYCAADIWVSL-MRXNPFEDSA-N 1 3 324.469 -0.007 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000373436163 138172794 /nfs/dbraw/zinc/17/27/94/138172794.db2.gz NSABQKUCFQYUKX-RHSMWYFYSA-N 1 3 322.453 -0.001 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000373436165 138172957 /nfs/dbraw/zinc/17/29/57/138172957.db2.gz NSABQKUCFQYUKX-WMLDXEAASA-N 1 3 322.453 -0.001 20 0 DBADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H]2CN3CCN2CCC3)CC1 ZINC000408033453 138204286 /nfs/dbraw/zinc/20/42/86/138204286.db2.gz MBCRGTFSOAGMPQ-HNNXBMFYSA-N 1 3 324.469 -0.272 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000418523017 237363476 /nfs/dbraw/zinc/36/34/76/237363476.db2.gz KBKXURRAVWDWNT-CYBMUJFWSA-N 1 3 311.430 -0.327 20 0 DBADHO O=C(NC[C@H]1C[NH2+]C[C@@H]1O)NC[C@@H]1NCCc2ccccc21 ZINC000418644508 237376624 /nfs/dbraw/zinc/37/66/24/237376624.db2.gz VJYMAAWYMOMCRQ-SNPRPXQTSA-N 1 3 304.394 -0.247 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1=O ZINC000449729943 238354032 /nfs/dbraw/zinc/35/40/32/238354032.db2.gz OVSWUDHYIMVOLI-ZJUUUORDSA-N 1 3 324.347 -0.208 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000449343214 238355034 /nfs/dbraw/zinc/35/50/34/238355034.db2.gz ISBBLBGTLYMQQH-MCIONIFRSA-N 1 3 310.442 -0.099 20 0 DBADHO O=C(Nc1nc(N2CCNCC2)n[nH]1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000521998253 541327794 /nfs/dbraw/zinc/32/77/94/541327794.db2.gz IYBJOJMEIUFVNH-QMTHXVAHSA-N 1 3 305.386 -0.458 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCCO1 ZINC000555606952 283945675 /nfs/dbraw/zinc/94/56/75/283945675.db2.gz RWAYPGGDAVIQJF-CYBMUJFWSA-N 1 3 314.430 -0.767 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)[C@@H]1OC[C@H]2COCC[C@@H]21 ZINC000562151046 284005768 /nfs/dbraw/zinc/00/57/68/284005768.db2.gz OFNQODMGGDFRBD-QLFBSQMISA-N 1 3 313.442 -0.010 20 0 DBADHO [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000563616100 284045070 /nfs/dbraw/zinc/04/50/70/284045070.db2.gz XUHRVNXXZHQSKW-ZNMIVQPWSA-N 1 3 310.442 -0.364 20 0 DBADHO NC[C@@H]1c2ccccc2CCN1C(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000565001705 284077735 /nfs/dbraw/zinc/07/77/35/284077735.db2.gz MVDHPHMAYWNEGL-HUUCEWRRSA-N 1 3 316.405 -0.061 20 0 DBADHO CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1(C)C ZINC000565237547 284090050 /nfs/dbraw/zinc/09/00/50/284090050.db2.gz CQWUQVFWJBHTSH-OVZMXSCWSA-N 1 3 324.425 -0.711 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643542798 374255612 /nfs/dbraw/zinc/25/56/12/374255612.db2.gz CVWJYXUMBKWCRD-UONOGXRCSA-N 1 3 310.442 -0.005 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000643542806 374255737 /nfs/dbraw/zinc/25/57/37/374255737.db2.gz DMAMGLJNIDJEQZ-CHWSQXEVSA-N 1 3 314.430 -0.640 20 0 DBADHO CN(C)C1(CN(C)C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCC1 ZINC000643552829 374269992 /nfs/dbraw/zinc/26/99/92/374269992.db2.gz PFMAIDXPXYVTJH-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(C(=O)N1CCCNCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000643581084 374280980 /nfs/dbraw/zinc/28/09/80/374280980.db2.gz LVJXMBGBCLNXSD-UHFFFAOYSA-N 1 3 317.393 -0.448 20 0 DBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2ccncc2)CC1 ZINC000643590934 374289359 /nfs/dbraw/zinc/28/93/59/374289359.db2.gz NUYLWKZGZFGYEL-CQSZACIVSA-N 1 3 317.393 -0.320 20 0 DBADHO CN1CCC[C@]2(CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)C1 ZINC000643592233 374292802 /nfs/dbraw/zinc/29/28/02/374292802.db2.gz LPHJQNNQWDLJIC-VBQJREDUSA-N 1 3 320.437 -0.392 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H](N2CCCCC2)C1 ZINC000643593882 374298048 /nfs/dbraw/zinc/29/80/48/374298048.db2.gz BWGRGIIJCTWFRG-ILXRZTDVSA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000624939711 374326564 /nfs/dbraw/zinc/32/65/64/374326564.db2.gz PIQSJZWKEBXEFU-STQMWFEESA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000624939711 374326569 /nfs/dbraw/zinc/32/65/69/374326569.db2.gz PIQSJZWKEBXEFU-STQMWFEESA-N 1 3 311.430 -0.158 20 0 DBADHO CCCCN(C)CCNC(=O)C(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000642713058 374432850 /nfs/dbraw/zinc/43/28/50/374432850.db2.gz ZBKQKUWDPZZNFC-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000584051722 374471701 /nfs/dbraw/zinc/47/17/01/374471701.db2.gz NLZFGHABFJRCAZ-ZDUSSCGKSA-N 1 3 324.429 -0.190 20 0 DBADHO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)NC[C@H](C)N(C)C2CC2)CCO1 ZINC000642773370 374513156 /nfs/dbraw/zinc/51/31/56/374513156.db2.gz UHJNVPBHPMUYJY-GVXVVHGQSA-N 1 3 312.414 -0.840 20 0 DBADHO NCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262660718 374500196 /nfs/dbraw/zinc/50/01/96/374500196.db2.gz XNTITXVHXAADPS-CQSZACIVSA-N 1 3 304.394 -0.041 20 0 DBADHO NCC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262660718 374500205 /nfs/dbraw/zinc/50/02/05/374500205.db2.gz XNTITXVHXAADPS-CQSZACIVSA-N 1 3 304.394 -0.041 20 0 DBADHO O=C(NC[C@@H]1CCCC[NH2+]1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000642785838 374574006 /nfs/dbraw/zinc/57/40/06/374574006.db2.gz MPDSVWBRCZFYKN-KBPBESRZSA-N 1 3 308.426 -0.155 20 0 DBADHO CN1CCN(CCCSc2nnnn2CC[NH+](C)C)CC1 ZINC000130587282 374755186 /nfs/dbraw/zinc/75/51/86/374755186.db2.gz AMELHUMCTKJGRI-UHFFFAOYSA-N 1 3 313.475 -0.036 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C[C@H]2CC[NH2+]C2)cn1 ZINC000427324346 374868097 /nfs/dbraw/zinc/86/80/97/374868097.db2.gz LPNGYUGJNBGWEU-GFCCVEGCSA-N 1 3 322.413 -0.501 20 0 DBADHO CCN(CC)CC(=O)N1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000236839040 374884034 /nfs/dbraw/zinc/88/40/34/374884034.db2.gz QKQQNLQMZBJOFW-UHFFFAOYSA-N 1 3 310.442 -0.001 20 0 DBADHO O=C(NCCN1CC[C@H](O)C1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000625896074 374931188 /nfs/dbraw/zinc/93/11/88/374931188.db2.gz QLXOTTZVRWEWEB-ZDUSSCGKSA-N 1 3 305.382 -0.085 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NCC[C@H]2CCC[NH2+]C2)CC1=O ZINC000152726931 374968412 /nfs/dbraw/zinc/96/84/12/374968412.db2.gz APJKRWJUNWHIBD-KGLIPLIRSA-N 1 3 310.442 -0.098 20 0 DBADHO COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1 ZINC000642910871 374992557 /nfs/dbraw/zinc/99/25/57/374992557.db2.gz QAWHUNUMWHWSHZ-NSHDSACASA-N 1 3 321.381 -0.798 20 0 DBADHO C[C@H]([NH3+])CNC(=O)C(=O)N(CCN(C)C)C[C@@H]1CCCO1 ZINC000642910688 374992851 /nfs/dbraw/zinc/99/28/51/374992851.db2.gz LKDNKAQXAKWXEC-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000642919130 375019289 /nfs/dbraw/zinc/01/92/89/375019289.db2.gz PAHYSSSNDSADRV-AWEZNQCLSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(NCC[NH2+]C1CC1)C(=O)N1CCC[C@H]1CN1CCCC1 ZINC000642919903 375021294 /nfs/dbraw/zinc/02/12/94/375021294.db2.gz MLFPOVBUMYYSMX-AWEZNQCLSA-N 1 3 308.426 -0.059 20 0 DBADHO CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NC2C[NH2+]C2)C1 ZINC000642926772 375028772 /nfs/dbraw/zinc/02/87/72/375028772.db2.gz NCUSGDNVICRPOF-OAHLLOKOSA-N 1 3 316.405 -0.193 20 0 DBADHO C[N@@H+]1CC[C@@H]2CCN(C(=O)CN3CCCC[C@H](N)C3=O)[C@H]2C1 ZINC000643794152 375057271 /nfs/dbraw/zinc/05/72/71/375057271.db2.gz GJEQOTBCHBTLLA-RDBSUJKOSA-N 1 3 308.426 -0.121 20 0 DBADHO C[N@H+]1CC[C@@H]2CCN(C(=O)CN3CCCC[C@H](N)C3=O)[C@H]2C1 ZINC000643794152 375057276 /nfs/dbraw/zinc/05/72/76/375057276.db2.gz GJEQOTBCHBTLLA-RDBSUJKOSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1=O ZINC000248613761 375145426 /nfs/dbraw/zinc/14/54/26/375145426.db2.gz LMXGUOSHOUFLCS-CRWXNKLISA-N 1 3 308.426 -0.408 20 0 DBADHO CN(C(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1)[C@@H]1CCCN(C)C1 ZINC000081454094 375153667 /nfs/dbraw/zinc/15/36/67/375153667.db2.gz RATRAKUAEBIYAC-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000635975901 375291634 /nfs/dbraw/zinc/29/16/34/375291634.db2.gz DCPRQUOLEGLKCO-RBSFLKMASA-N 1 3 311.426 -0.187 20 0 DBADHO O=C(N[C@@H]1CCCN(CCCO)C1)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000635975901 375291643 /nfs/dbraw/zinc/29/16/43/375291643.db2.gz DCPRQUOLEGLKCO-RBSFLKMASA-N 1 3 311.426 -0.187 20 0 DBADHO CN1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@@H](CN)C1 ZINC000569720802 375306643 /nfs/dbraw/zinc/30/66/43/375306643.db2.gz LEBXDZVJKLNDJP-KBPBESRZSA-N 1 3 306.414 -0.478 20 0 DBADHO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642989033 375473562 /nfs/dbraw/zinc/47/35/62/375473562.db2.gz KMGHADDPRAGMAM-RFQIPJPRSA-N 1 3 308.426 -0.062 20 0 DBADHO CO[C@@H](C[NH3+])CC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000262765140 375469429 /nfs/dbraw/zinc/46/94/29/375469429.db2.gz ASPPUGPICIIMJY-CYBMUJFWSA-N 1 3 312.414 -0.883 20 0 DBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C ZINC000642985358 375471175 /nfs/dbraw/zinc/47/11/75/375471175.db2.gz FAJHMWXEXJZMFE-CRWXNKLISA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2)N(C)C1CC1 ZINC000627372199 375552266 /nfs/dbraw/zinc/55/22/66/375552266.db2.gz GBIGBLZKBPPNEO-WCQYABFASA-N 1 3 308.426 -0.014 20 0 DBADHO COCC1(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC[NH2+]CC1 ZINC000318824563 375563200 /nfs/dbraw/zinc/56/32/00/375563200.db2.gz FQNNTFGLVARLBV-UONOGXRCSA-N 1 3 311.426 -0.018 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N(C)[C@@H]2CCC[NH2+]CC2)CC1=O ZINC000364644275 375655629 /nfs/dbraw/zinc/65/56/29/375655629.db2.gz ZSDXQAKDHAKZKV-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC(C)N1CCN([C@@H]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)C2)CC1 ZINC000592965168 375841830 /nfs/dbraw/zinc/84/18/30/375841830.db2.gz RYJVZXRBZSYPNP-HZPDHXFCSA-N 1 3 324.469 -0.151 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3C(F)(F)F)CCN2C1=O ZINC000594878236 375964218 /nfs/dbraw/zinc/96/42/18/375964218.db2.gz UAKPNPJKWCBHRO-KYXWUPHJSA-N 1 3 320.315 -0.845 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)[C@@H](C[NH3+])c3ccccc3)CCN2C1=O ZINC000594873682 375967805 /nfs/dbraw/zinc/96/78/05/375967805.db2.gz KPPWXXPRQZOQPI-RDBSUJKOSA-N 1 3 302.378 -0.501 20 0 DBADHO COC(=O)c1cn([C@H]2CCN(C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nn1 ZINC000595894586 376043372 /nfs/dbraw/zinc/04/33/72/376043372.db2.gz XBIWQNOVQMQRCH-RYUDHWBXSA-N 1 3 321.381 -0.168 20 0 DBADHO CCC[NH+]1CCC(NC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000595262064 375983352 /nfs/dbraw/zinc/98/33/52/375983352.db2.gz HWJSJRDKWBKCDR-KGLIPLIRSA-N 1 3 323.441 -0.186 20 0 DBADHO C[C@H](NC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)[C@H]1CCC[NH2+]C1 ZINC000595267436 375987366 /nfs/dbraw/zinc/98/73/66/375987366.db2.gz KJRIUBBMQNWLNE-WUHRBBMRSA-N 1 3 309.414 -0.672 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCN2C1=O ZINC000595273000 375988995 /nfs/dbraw/zinc/98/89/95/375988995.db2.gz HAXRQCZVNWYTGD-XDQVBPFNSA-N 1 3 321.425 -0.672 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CCN2C1=O ZINC000595272999 375989188 /nfs/dbraw/zinc/98/91/88/375989188.db2.gz HAXRQCZVNWYTGD-IGQOVBAYSA-N 1 3 321.425 -0.672 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CCN2C1=O ZINC000597441564 376133144 /nfs/dbraw/zinc/13/31/44/376133144.db2.gz JWAHEFXVSFGACU-QJPTWQEYSA-N 1 3 307.398 -0.918 20 0 DBADHO CC(C)[NH+]1CCN([C@@H]2CCN(c3nc(N)nc(N)n3)C2)CC1 ZINC000599058084 376238438 /nfs/dbraw/zinc/23/84/38/376238438.db2.gz QUKAIKTYPUNQRO-LLVKDONJSA-N 1 3 306.418 -0.699 20 0 DBADHO CN1CCC([N@@H+]2CC[C@H](NC(=O)CN3CCN(C)CC3)C2)CC1 ZINC000602330832 376434552 /nfs/dbraw/zinc/43/45/52/376434552.db2.gz RZXOQKGRVITOCI-HNNXBMFYSA-N 1 3 323.485 -0.482 20 0 DBADHO CN1CCC([N@H+]2CC[C@H](NC(=O)CN3CCN(C)CC3)C2)CC1 ZINC000602330832 376434558 /nfs/dbraw/zinc/43/45/58/376434558.db2.gz RZXOQKGRVITOCI-HNNXBMFYSA-N 1 3 323.485 -0.482 20 0 DBADHO CN1CCN(CC(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000602330832 376434565 /nfs/dbraw/zinc/43/45/65/376434565.db2.gz RZXOQKGRVITOCI-HNNXBMFYSA-N 1 3 323.485 -0.482 20 0 DBADHO CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@]3(C)CNCCO3)C2)CC1 ZINC000602479714 376447006 /nfs/dbraw/zinc/44/70/06/376447006.db2.gz APFWSZJJMIQBEV-DOTOQJQBSA-N 1 3 324.469 -0.008 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)C34CCC[NH+](CCC3)C4)CCN2C1=O ZINC000602523988 376450026 /nfs/dbraw/zinc/45/00/26/376450026.db2.gz JBUOCNCZZKIQOI-CHWSQXEVSA-N 1 3 306.410 -0.367 20 0 DBADHO C[NH+](C)C1CCC(NC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000571061668 377010987 /nfs/dbraw/zinc/01/09/87/377010987.db2.gz BUFICPVWLBEPII-NWINJMCUSA-N 1 3 323.441 -0.187 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(N2CCC([NH+](C)C)CC2)n1 ZINC000339969925 377166798 /nfs/dbraw/zinc/16/67/98/377166798.db2.gz VUQZOPKNLNPQCT-UHFFFAOYSA-N 1 3 323.445 -0.530 20 0 DBADHO CCn1cnnc1CNC(=O)N(CCN(C)C)CC[NH+](C)C ZINC000607224776 377304008 /nfs/dbraw/zinc/30/40/08/377304008.db2.gz LDZFETIVZJHOGJ-UHFFFAOYSA-N 1 3 311.434 -0.067 20 0 DBADHO CC[NH+](CC)CCOCCNCc1cn(C)c(=O)n(C)c1=O ZINC000350267940 284639617 /nfs/dbraw/zinc/63/96/17/284639617.db2.gz PFZUEPVNDBDHCO-UHFFFAOYSA-N 1 3 312.414 -0.468 20 0 DBADHO CN(C)CCn1cc(C(=O)N(C)CCN2CC[NH2+]CC2)cn1 ZINC000637835983 377587290 /nfs/dbraw/zinc/58/72/90/377587290.db2.gz QZFOOSFMCKMDCW-UHFFFAOYSA-N 1 3 308.430 -0.578 20 0 DBADHO [NH3+][C@@H]1CC=C(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000638099797 377836530 /nfs/dbraw/zinc/83/65/30/377836530.db2.gz VKJTUFZWXFGTNN-CQSZACIVSA-N 1 3 306.410 -0.200 20 0 DBADHO COC[C@]1(C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)CCCCN1 ZINC000638240544 377864043 /nfs/dbraw/zinc/86/40/43/377864043.db2.gz JZFZSILKSKUHMG-HOCLYGCPSA-N 1 3 310.442 -0.349 20 0 DBADHO [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)CN2CCNCC2)CC1 ZINC000638339204 377878458 /nfs/dbraw/zinc/87/84/58/377878458.db2.gz FBZOJMHLRYICHP-GOEBONIOSA-N 1 3 310.442 -0.364 20 0 DBADHO [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CN2CCNCC2)C1 ZINC000638392643 377890552 /nfs/dbraw/zinc/89/05/52/377890552.db2.gz FWXCNBPDTODYBI-KFWWJZLASA-N 1 3 310.442 -0.221 20 0 DBADHO CC[NH+](CC)CCO[C@H]1CCN(C(=O)CN2CCNCC2)C1 ZINC000638128075 377848184 /nfs/dbraw/zinc/84/81/84/377848184.db2.gz PNGVHZDGPWLJHL-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO CCN1CCN(CCCCNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638137719 377850135 /nfs/dbraw/zinc/85/01/35/377850135.db2.gz MONOPALRBVQTFT-UHFFFAOYSA-N 1 3 311.474 -0.575 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000638139933 377850465 /nfs/dbraw/zinc/85/04/65/377850465.db2.gz QPHFKGVZQUOTFU-YQQAZPJKSA-N 1 3 324.469 -0.008 20 0 DBADHO CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCN([C@H]3CCCN(C)C3)CC2)C1 ZINC000638139934 377850736 /nfs/dbraw/zinc/85/07/36/377850736.db2.gz QPHFKGVZQUOTFU-ZOBUZTSGSA-N 1 3 324.469 -0.008 20 0 DBADHO CN1CCC[C@@H](N2CCN(C(=O)[C@]3(C[NH3+])CCCOC3)CC2)C1 ZINC000638139922 377851448 /nfs/dbraw/zinc/85/14/48/377851448.db2.gz QJGGKLIJVVQNKA-WBVHZDCISA-N 1 3 324.469 -0.020 20 0 DBADHO CN1CCC[C@H](N2CCN(C(=O)[C@@]3(C[NH3+])CCCOC3)CC2)C1 ZINC000638139919 377851678 /nfs/dbraw/zinc/85/16/78/377851678.db2.gz QJGGKLIJVVQNKA-DOTOQJQBSA-N 1 3 324.469 -0.020 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000638169623 377855191 /nfs/dbraw/zinc/85/51/91/377855191.db2.gz BPWSOIUGGXREDM-GJZGRUSLSA-N 1 3 306.410 -0.368 20 0 DBADHO COC[C@@]1(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)CCCCN1 ZINC000638227007 377860292 /nfs/dbraw/zinc/86/02/92/377860292.db2.gz LSRXJZMJKGWYKB-GDBMZVCRSA-N 1 3 310.442 -0.349 20 0 DBADHO COCCOCC[N@H+](C)CCC(=O)N1CCOC2(CNC2)C1 ZINC000638440360 377919662 /nfs/dbraw/zinc/91/96/62/377919662.db2.gz QAKQXOPLVRINSO-UHFFFAOYSA-N 1 3 315.414 -0.828 20 0 DBADHO COCCOCC[N@@H+](C)CCC(=O)N1CCOC2(CNC2)C1 ZINC000638440360 377919667 /nfs/dbraw/zinc/91/96/67/377919667.db2.gz QAKQXOPLVRINSO-UHFFFAOYSA-N 1 3 315.414 -0.828 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1=O ZINC000638505846 377958060 /nfs/dbraw/zinc/95/80/60/377958060.db2.gz OUQQNUQUURWDSD-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO CN(Cc1ccccc1)C[C@H](N)C(=O)N(C)CCOCC[NH3+] ZINC000638672236 378043560 /nfs/dbraw/zinc/04/35/60/378043560.db2.gz CBRWYLHQCQMUHJ-HNNXBMFYSA-N 1 3 308.426 -0.121 20 0 DBADHO O=C(C[C@H]1CNCCO1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638778805 378077901 /nfs/dbraw/zinc/07/79/01/378077901.db2.gz GIUMZBUJTBXTHY-GJZGRUSLSA-N 1 3 311.426 -0.018 20 0 DBADHO O=C(CCOC1CNC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784616 378082115 /nfs/dbraw/zinc/08/21/15/378082115.db2.gz VRFRLNZZNAGQPZ-AWEZNQCLSA-N 1 3 311.426 -0.018 20 0 DBADHO CC1(OCC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CNC1 ZINC000638783195 378082219 /nfs/dbraw/zinc/08/22/19/378082219.db2.gz IIOUGAKZXAQHAI-AWEZNQCLSA-N 1 3 311.426 -0.018 20 0 DBADHO NCc1ccc2c(c1)N(C(=O)CNC(=O)[C@H]1CCC[NH2+]1)CCO2 ZINC000638806806 378146023 /nfs/dbraw/zinc/14/60/23/378146023.db2.gz WQALOUPPRZVXBE-GFCCVEGCSA-N 1 3 318.377 -0.261 20 0 DBADHO CN1CCN(CC[NH2+]C[C@H](O)CN2CCOCC2)CC1(C)C ZINC000583495381 378311758 /nfs/dbraw/zinc/31/17/58/378311758.db2.gz BUBCAZGEUWPIMP-HNNXBMFYSA-N 1 3 314.474 -0.705 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@H+](C)C1CC1 ZINC000343312866 378339464 /nfs/dbraw/zinc/33/94/64/378339464.db2.gz QXNKGAHKUQMEAM-FZMZJTMJSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000343312866 378339468 /nfs/dbraw/zinc/33/94/68/378339468.db2.gz QXNKGAHKUQMEAM-FZMZJTMJSA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)CN1CCOCC1 ZINC000617506222 378369352 /nfs/dbraw/zinc/36/93/52/378369352.db2.gz GALRXXAXCRIRKW-AWEZNQCLSA-N 1 3 300.447 -0.293 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)CN1CCOCC1 ZINC000617506222 378369355 /nfs/dbraw/zinc/36/93/55/378369355.db2.gz GALRXXAXCRIRKW-AWEZNQCLSA-N 1 3 300.447 -0.293 20 0 DBADHO OC[C@H]1CC[C@@H](CO)N1C/C=C/C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347277935 378384089 /nfs/dbraw/zinc/38/40/89/378384089.db2.gz PQTATYSIBSPKSJ-NTXWRNLQSA-N 1 3 314.426 -0.822 20 0 DBADHO OC[C@H]1CC[C@@H](CO)N1C/C=C/C[N@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347277935 378384095 /nfs/dbraw/zinc/38/40/95/378384095.db2.gz PQTATYSIBSPKSJ-NTXWRNLQSA-N 1 3 314.426 -0.822 20 0 DBADHO CO[C@@H](C[NH3+])C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000353505294 378667621 /nfs/dbraw/zinc/66/76/21/378667621.db2.gz CPTLOWGTTMFCRC-RYUDHWBXSA-N 1 3 300.403 -0.981 20 0 DBADHO CN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@H]1CCN(C2CC2)C1 ZINC000354698560 378759417 /nfs/dbraw/zinc/75/94/17/378759417.db2.gz AREKTHUQUYGJSC-UONOGXRCSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)NC[C@H]1NCCc2ccccc21 ZINC000357233988 378927980 /nfs/dbraw/zinc/92/79/80/378927980.db2.gz ACSCIVZBPWXZLJ-LSDHHAIUSA-N 1 3 316.405 -0.142 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000357349530 378938331 /nfs/dbraw/zinc/93/83/31/378938331.db2.gz SVPUEJRAPURVPY-AWEZNQCLSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C(CN1CCCC1)N1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000361296783 379340919 /nfs/dbraw/zinc/34/09/19/379340919.db2.gz ONXSVQNUHUAMLC-UHFFFAOYSA-N 1 3 324.469 -0.051 20 0 DBADHO O=C(CN1CCCC1)N1CCN(CC[N@H+]2CCCOCC2)CC1 ZINC000361296783 379340925 /nfs/dbraw/zinc/34/09/25/379340925.db2.gz ONXSVQNUHUAMLC-UHFFFAOYSA-N 1 3 324.469 -0.051 20 0 DBADHO CC(C)[C@@H]1CN([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CCN1C ZINC000362534478 379445950 /nfs/dbraw/zinc/44/59/50/379445950.db2.gz QGEKVDGIJITSPQ-KBPBESRZSA-N 1 3 310.442 -0.053 20 0 DBADHO CN1CCN(CCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362556325 379446724 /nfs/dbraw/zinc/44/67/24/379446724.db2.gz SPUIVWOCWRFRMM-ZDUSSCGKSA-N 1 3 320.441 -0.146 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CC1=O ZINC000368169750 379527388 /nfs/dbraw/zinc/52/73/88/379527388.db2.gz ZKQGKNCIYHMNRR-SRVKXCTJSA-N 1 3 300.378 -0.787 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CC1=O ZINC000368178826 379529361 /nfs/dbraw/zinc/52/93/61/379529361.db2.gz LTMUCVKTWXEKAN-MJBXVCDLSA-N 1 3 308.426 -0.393 20 0 DBADHO CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368644874 379548733 /nfs/dbraw/zinc/54/87/33/379548733.db2.gz YPQNQSSSIVIERW-UONOGXRCSA-N 1 3 314.430 -0.537 20 0 DBADHO CC[N@@H+](CCO)CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000368644874 379548742 /nfs/dbraw/zinc/54/87/42/379548742.db2.gz YPQNQSSSIVIERW-UONOGXRCSA-N 1 3 314.430 -0.537 20 0 DBADHO C[C@@H]1CC[NH2+]CC[C@H]1NCCN1CCN(S(C)(=O)=O)CC1 ZINC000643453713 379644495 /nfs/dbraw/zinc/64/44/95/379644495.db2.gz UXSUHCHTPYQFMD-ZIAGYGMSSA-N 1 3 318.487 -0.459 20 0 DBADHO C[C@@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000582410503 379648243 /nfs/dbraw/zinc/64/82/43/379648243.db2.gz PIQRUIJGCNMTHB-VXGBXAGGSA-N 1 3 308.426 -0.156 20 0 DBADHO C[C@@H](NC(=O)C(=O)NC1CNC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582410503 379648261 /nfs/dbraw/zinc/64/82/61/379648261.db2.gz PIQRUIJGCNMTHB-VXGBXAGGSA-N 1 3 308.426 -0.156 20 0 DBADHO O=C(CN1CCOCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178978503 379735602 /nfs/dbraw/zinc/73/56/02/379735602.db2.gz RAQANLKVCFAZST-UHFFFAOYSA-N 1 3 310.442 -0.538 20 0 DBADHO CN(CCC[NH+]1CCN(C)CC1)CC(=O)N1CCN(C)CC1 ZINC000182964262 379752762 /nfs/dbraw/zinc/75/27/62/379752762.db2.gz MVNOPJGQQCITPN-UHFFFAOYSA-N 1 3 311.474 -0.670 20 0 DBADHO CC[NH+]1CCC(N(C)S(=O)(=O)C[C@@H]2CNCCO2)CC1 ZINC000313425384 379796643 /nfs/dbraw/zinc/79/66/43/379796643.db2.gz XZJSTRUPXYDALR-ZDUSSCGKSA-N 1 3 305.444 -0.279 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000584680414 379834942 /nfs/dbraw/zinc/83/49/42/379834942.db2.gz CGZHGIQYKPKNKG-XBFCOCLRSA-N 1 3 308.426 -0.252 20 0 DBADHO C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000584680411 379835083 /nfs/dbraw/zinc/83/50/83/379835083.db2.gz CGZHGIQYKPKNKG-BNOWGMLFSA-N 1 3 308.426 -0.252 20 0 DBADHO C[NH+]1CCC(N2CCC(NC(=O)[C@H]3CCC(=O)N3)CC2)CC1 ZINC000124411655 379890013 /nfs/dbraw/zinc/89/00/13/379890013.db2.gz ZNELVGSGYTXWDV-CQSZACIVSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419785079 379968412 /nfs/dbraw/zinc/96/84/12/379968412.db2.gz YHFVKEMQHVEHBF-STQMWFEESA-N 1 3 314.430 -0.686 20 0 DBADHO CN(C)CCN(Cc1cccc(F)c1)C(=O)C(=O)NCC[NH3+] ZINC000419844670 379978920 /nfs/dbraw/zinc/97/89/20/379978920.db2.gz ZYOXHCIXZDHTCT-UHFFFAOYSA-N 1 3 310.373 -0.209 20 0 DBADHO O=C(N[C@@H]1CCC[NH2+]C1)C(=O)N1CCC[C@H](N2CCCC2)C1 ZINC000419844795 379979942 /nfs/dbraw/zinc/97/99/42/379979942.db2.gz OPKXYPRULFHHJV-KGLIPLIRSA-N 1 3 308.426 -0.059 20 0 DBADHO C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419575759 379941689 /nfs/dbraw/zinc/94/16/89/379941689.db2.gz BNKBWDJCYKOTSL-AWEZNQCLSA-N 1 3 316.471 -0.392 20 0 DBADHO CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419580999 379943080 /nfs/dbraw/zinc/94/30/80/379943080.db2.gz ICHQQJPRBRTFJG-QWHCGFSZSA-N 1 3 312.414 -0.837 20 0 DBADHO C[N@H+](CCNC(=O)C(=O)NC[C@@H]1CNCCO1)C1CCCC1 ZINC000419700610 379955323 /nfs/dbraw/zinc/95/53/23/379955323.db2.gz XTTAOBIIWYDRKW-ZDUSSCGKSA-N 1 3 312.414 -0.918 20 0 DBADHO C[N@@H+](CCNC(=O)C(=O)NC[C@@H]1CNCCO1)C1CCCC1 ZINC000419700610 379955327 /nfs/dbraw/zinc/95/53/27/379955327.db2.gz XTTAOBIIWYDRKW-ZDUSSCGKSA-N 1 3 312.414 -0.918 20 0 DBADHO O=C(NC[C@H]1CCC[NH2+]1)C(=O)N[C@@H]1CCN(C2CCCC2)C1 ZINC000419696210 379955473 /nfs/dbraw/zinc/95/54/73/379955473.db2.gz NVYKUUMFVMOGLS-CHWSQXEVSA-N 1 3 308.426 -0.012 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCN(C2CCCC2)C1)C1CC1 ZINC000419697411 379955505 /nfs/dbraw/zinc/95/55/05/379955505.db2.gz QONUUJUOKVQPGA-GXTWGEPZSA-N 1 3 308.426 -0.027 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCC2)C1)C1CC1 ZINC000419875610 379984888 /nfs/dbraw/zinc/98/48/88/379984888.db2.gz WVBOFKRDFQINPR-ZIAGYGMSSA-N 1 3 308.426 -0.073 20 0 DBADHO O=C(NC[C@@H]1CCC[NH2+]1)C(=O)N1CCC[C@@H](N2CCCC2)C1 ZINC000419904633 379992718 /nfs/dbraw/zinc/99/27/18/379992718.db2.gz YAASIZDSVWCTBV-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420016213 380006331 /nfs/dbraw/zinc/00/63/31/380006331.db2.gz MIFSRBLXFBOEAF-OBJOEFQTSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000420016213 380006337 /nfs/dbraw/zinc/00/63/37/380006337.db2.gz MIFSRBLXFBOEAF-OBJOEFQTSA-N 1 3 308.426 -0.075 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCC[C@@H]([NH3+])C2)n1 ZINC000420290527 380050967 /nfs/dbraw/zinc/05/09/67/380050967.db2.gz UPIUXQHZGNRGJZ-VXGBXAGGSA-N 1 3 323.445 -0.709 20 0 DBADHO C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)C[C@@H](O)CN ZINC000420356044 380055934 /nfs/dbraw/zinc/05/59/34/380055934.db2.gz QFBHBVRGRCUISK-ZDUSSCGKSA-N 1 3 308.382 -0.346 20 0 DBADHO C[N@@H+](CCC(=O)NC(=O)NCc1ccccc1)C[C@@H](O)CN ZINC000420356044 380055943 /nfs/dbraw/zinc/05/59/43/380055943.db2.gz QFBHBVRGRCUISK-ZDUSSCGKSA-N 1 3 308.382 -0.346 20 0 DBADHO C[NH2+]CCCNS(=O)(=O)c1c(C)nn(CCN(C)C)c1C ZINC000420402767 380058871 /nfs/dbraw/zinc/05/88/71/380058871.db2.gz JFPOLBIDEXOQEO-UHFFFAOYSA-N 1 3 317.459 -0.051 20 0 DBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCNCCOC)C1 ZINC000420188961 380041215 /nfs/dbraw/zinc/04/12/15/380041215.db2.gz UILBSPIYAVTYKI-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO CC(C)Nc1nc(NCCO)nc(NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000420186901 380041897 /nfs/dbraw/zinc/04/18/97/380041897.db2.gz CUTJBIBHVGHDIH-LBPRGKRZSA-N 1 3 323.445 -0.837 20 0 DBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000420205169 380044884 /nfs/dbraw/zinc/04/48/84/380044884.db2.gz RQPNEDAJTXPYOB-CYBMUJFWSA-N 1 3 314.430 -0.863 20 0 DBADHO CC(C)[NH+]1CCC(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000572135514 380136507 /nfs/dbraw/zinc/13/65/07/380136507.db2.gz CGGGGOWMXLRFSD-KGLIPLIRSA-N 1 3 308.426 -0.123 20 0 DBADHO CC[C@@H]1CN(CCC(=O)N2CCNCC2)CC[N@@H+]1C[C@@H](C)O ZINC000261989224 380163011 /nfs/dbraw/zinc/16/30/11/380163011.db2.gz CSBYENPKCDQOGL-HUUCEWRRSA-N 1 3 312.458 -0.415 20 0 DBADHO CC[C@@H]1CN(CCC(=O)N2CCNCC2)CC[N@H+]1C[C@@H](C)O ZINC000261989224 380163014 /nfs/dbraw/zinc/16/30/14/380163014.db2.gz CSBYENPKCDQOGL-HUUCEWRRSA-N 1 3 312.458 -0.415 20 0 DBADHO O=C(CC[NH+]1CCC(CN2CCOCC2)CC1)N1CCNCC1 ZINC000262244527 380179485 /nfs/dbraw/zinc/17/94/85/380179485.db2.gz WJQZOOZWXMJLLP-UHFFFAOYSA-N 1 3 324.469 -0.148 20 0 DBADHO CN(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2COCCN2)CC1 ZINC000262386232 380189627 /nfs/dbraw/zinc/18/96/27/380189627.db2.gz NQJFLADNANSZDP-OAHLLOKOSA-N 1 3 312.458 -0.245 20 0 DBADHO C[NH+](C)CCN1CCC(CNC(=O)C[C@@H]2COCCN2)CC1 ZINC000262386232 380189633 /nfs/dbraw/zinc/18/96/33/380189633.db2.gz NQJFLADNANSZDP-OAHLLOKOSA-N 1 3 312.458 -0.245 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1=O ZINC000262592365 380195739 /nfs/dbraw/zinc/19/57/39/380195739.db2.gz FXOPZRNCHIJICM-MJBXVCDLSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CN(C[C@H](O)CNC[C@H](O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000580445210 380270408 /nfs/dbraw/zinc/27/04/08/380270408.db2.gz NVMDQSNCPNOTIU-XUWVNRHRSA-N 1 3 315.458 -0.497 20 0 DBADHO C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H](O)CN2CCCC2)C[C@H](C)O1 ZINC000580445210 380270414 /nfs/dbraw/zinc/27/04/14/380270414.db2.gz NVMDQSNCPNOTIU-XUWVNRHRSA-N 1 3 315.458 -0.497 20 0 DBADHO O=C(C(=O)N1CCC[C@@H](N2CCCC2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000423151622 380311798 /nfs/dbraw/zinc/31/17/98/380311798.db2.gz KHADAFVLNWOIOX-QLFBSQMISA-N 1 3 320.437 -0.249 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000423503378 380341047 /nfs/dbraw/zinc/34/10/47/380341047.db2.gz KQHMJEBFXBWWSM-KGLIPLIRSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000423501242 380341329 /nfs/dbraw/zinc/34/13/29/380341329.db2.gz BEUVEMGDSDSJJL-TZMCWYRMSA-N 1 3 308.426 -0.251 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000423583232 380347257 /nfs/dbraw/zinc/34/72/57/380347257.db2.gz BVNHLNNEYLJIBI-STQMWFEESA-N 1 3 312.414 -0.886 20 0 DBADHO CN(C[C@H]1CCCN(C)C1)C(=O)C(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643489752 380360042 /nfs/dbraw/zinc/36/00/42/380360042.db2.gz FOQWINCKIOEBFE-RRFJBIMHSA-N 1 3 322.453 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H]2CN2CCCC2)C[C@@H]1[NH3+] ZINC000643498844 380485661 /nfs/dbraw/zinc/48/56/61/380485661.db2.gz LLVHPEVEQBADNN-MCIONIFRSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H]2CN2CCCC2)C[C@@H]1[NH3+] ZINC000643498846 380486269 /nfs/dbraw/zinc/48/62/69/380486269.db2.gz LLVHPEVEQBADNN-RDBSUJKOSA-N 1 3 308.426 -0.121 20 0 DBADHO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)N(C)CCN2CCCC2)CCO1 ZINC000643502497 380492828 /nfs/dbraw/zinc/49/28/28/380492828.db2.gz IEXYWDJSTWDYSS-QWHCGFSZSA-N 1 3 312.414 -0.885 20 0 DBADHO COCCN1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626951391 380513727 /nfs/dbraw/zinc/51/37/27/380513727.db2.gz WPRVZRJQOSQKCY-UHFFFAOYSA-N 1 3 302.419 -0.238 20 0 DBADHO CN1CCC[C@@H](NC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000626945422 380513931 /nfs/dbraw/zinc/51/39/31/380513931.db2.gz IYAANFVTCNYFKB-YPMHNXCESA-N 1 3 307.402 -0.294 20 0 DBADHO CN1CCC[C@H](NC(=O)NCc2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000626945408 380514301 /nfs/dbraw/zinc/51/43/01/380514301.db2.gz IYAANFVTCNYFKB-AAEUAGOBSA-N 1 3 307.402 -0.294 20 0 DBADHO O=C(C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)N1CCN2CCC[C@@H]2C1 ZINC000643513448 380532515 /nfs/dbraw/zinc/53/25/15/380532515.db2.gz WPTIUIGJQJVWGU-BFHYXJOUSA-N 1 3 306.410 -0.497 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000643516808 380543088 /nfs/dbraw/zinc/54/30/88/380543088.db2.gz XNNGMHUZBJEDFP-CKEIUWERSA-N 1 3 320.437 -0.107 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)C[C@@H]1N(C)C ZINC000643520745 380547897 /nfs/dbraw/zinc/54/78/97/380547897.db2.gz IEZULWFCFVEKOZ-QMVSFRDZSA-N 1 3 308.426 -0.409 20 0 DBADHO CS(=O)(=O)N1CCC(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629560441 380686647 /nfs/dbraw/zinc/68/66/47/380686647.db2.gz YSMHZHRHLPULQL-CQSZACIVSA-N 1 3 319.471 -0.296 20 0 DBADHO CN(CCOCC[NH3+])CCOc1ccc(S(N)(=O)=O)cc1 ZINC000629580782 380696616 /nfs/dbraw/zinc/69/66/16/380696616.db2.gz YUFLVNSQLRHIMF-UHFFFAOYSA-N 1 3 317.411 -0.380 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629794522 380723182 /nfs/dbraw/zinc/72/31/82/380723182.db2.gz QHZFQMVAMVRZHX-CALCHBBNSA-N 1 3 322.453 -0.001 20 0 DBADHO C[NH2+]CCOCCN(C)C(=O)C(=O)N(C)C[C@@H]1CCCN1C ZINC000629807196 380729553 /nfs/dbraw/zinc/72/95/53/380729553.db2.gz AYUGTFKYEWNYIP-ZDUSSCGKSA-N 1 3 314.430 -0.767 20 0 DBADHO NS(=O)(=O)CCCN1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000641818012 380973478 /nfs/dbraw/zinc/97/34/78/380973478.db2.gz BUIQLLFAIDUELV-CYBMUJFWSA-N 1 3 305.444 -0.245 20 0 DBADHO COCCCN(C)CCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626986798 381050838 /nfs/dbraw/zinc/05/08/38/381050838.db2.gz NIXGCXHWNKAHOO-UHFFFAOYSA-N 1 3 302.419 -0.238 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000626964678 381041135 /nfs/dbraw/zinc/04/11/35/381041135.db2.gz WCXPAHQNNUXYKZ-OLZOCXBDSA-N 1 3 311.430 -0.410 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000627117633 381095626 /nfs/dbraw/zinc/09/56/26/381095626.db2.gz JEMWWAQHVFNPCJ-SNVBAGLBSA-N 1 3 306.370 -0.275 20 0 DBADHO COCCN(CCN(C)C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627154459 381113497 /nfs/dbraw/zinc/11/34/97/381113497.db2.gz YWWDNESAPAJGLY-UHFFFAOYSA-N 1 3 302.419 -0.286 20 0 DBADHO C[NH2+]CCOCCNC(=O)NCCN1CCC(OC)CC1 ZINC000627174602 381119012 /nfs/dbraw/zinc/11/90/12/381119012.db2.gz KFSVQZMHAXONAW-UHFFFAOYSA-N 1 3 302.419 -0.368 20 0 DBADHO C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CN3CCN2CCC3)C1 ZINC000614066361 381226420 /nfs/dbraw/zinc/22/64/20/381226420.db2.gz CXMRNIAPMJQARZ-ZBFHGGJFSA-N 1 3 310.442 -0.709 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccnc1 ZINC000130538945 381404748 /nfs/dbraw/zinc/40/47/48/381404748.db2.gz ILWZEGAMKDZSEX-UHFFFAOYSA-N 1 3 307.398 -0.028 20 0 DBADHO COCCN1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000545175946 381431645 /nfs/dbraw/zinc/43/16/45/381431645.db2.gz MOKLFOVBCAEJAO-JSGCOSHPSA-N 1 3 300.403 -0.927 20 0 DBADHO COCCN1CC[C@H](NC(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000545175946 381431647 /nfs/dbraw/zinc/43/16/47/381431647.db2.gz MOKLFOVBCAEJAO-JSGCOSHPSA-N 1 3 300.403 -0.927 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072825795 381431876 /nfs/dbraw/zinc/43/18/76/381431876.db2.gz ZYFWTNOXSZTOMK-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072825795 381431881 /nfs/dbraw/zinc/43/18/81/381431881.db2.gz ZYFWTNOXSZTOMK-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072825797 381432880 /nfs/dbraw/zinc/43/28/80/381432880.db2.gz ZYFWTNOXSZTOMK-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1 ZINC000072825797 381432884 /nfs/dbraw/zinc/43/28/84/381432884.db2.gz ZYFWTNOXSZTOMK-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@H+](C)C1CC1 ZINC000073331389 381434456 /nfs/dbraw/zinc/43/44/56/381434456.db2.gz AXFSZQWTIGZFQQ-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)[N@@H+](C)C1CC1 ZINC000073331389 381434461 /nfs/dbraw/zinc/43/44/61/381434461.db2.gz AXFSZQWTIGZFQQ-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000077839007 381495381 /nfs/dbraw/zinc/49/53/81/381495381.db2.gz RZVOGVSOYSMARA-ZDUSSCGKSA-N 1 3 313.446 -0.258 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)NC ZINC000090040502 381608490 /nfs/dbraw/zinc/60/84/90/381608490.db2.gz UPDZTYMTOZPAIF-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CNC(=O)NC ZINC000090040502 381608494 /nfs/dbraw/zinc/60/84/94/381608494.db2.gz UPDZTYMTOZPAIF-ZDUSSCGKSA-N 1 3 313.446 -0.210 20 0 DBADHO O=C(NC[C@@H]1CCCN(CCn2cncn2)C1)[C@H]1CCC[NH2+]1 ZINC000262515441 381626813 /nfs/dbraw/zinc/62/68/13/381626813.db2.gz NLUCDWPWSGIFCO-UONOGXRCSA-N 1 3 306.414 -0.142 20 0 DBADHO CC[NH+](CC)CCNC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000153220371 381630820 /nfs/dbraw/zinc/63/08/20/381630820.db2.gz YMIWVNGXLAPGRR-UHFFFAOYSA-N 1 3 324.429 -0.159 20 0 DBADHO CC(C)OC[C@@H](O)CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567682420 381708157 /nfs/dbraw/zinc/70/81/57/381708157.db2.gz QFSHYASAWYPAMV-KGLIPLIRSA-N 1 3 301.431 -0.051 20 0 DBADHO CC(C)OC[C@@H](O)CNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000567682420 381708167 /nfs/dbraw/zinc/70/81/67/381708167.db2.gz QFSHYASAWYPAMV-KGLIPLIRSA-N 1 3 301.431 -0.051 20 0 DBADHO O=C(NCCNc1ccncc1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567787575 381714559 /nfs/dbraw/zinc/71/45/59/381714559.db2.gz SSUACCMCMZASAH-ZDUSSCGKSA-N 1 3 315.381 -0.311 20 0 DBADHO CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566984875 381677481 /nfs/dbraw/zinc/67/74/81/381677481.db2.gz WCPZRRLQHOZRLX-AVGNSLFASA-N 1 3 311.430 -0.332 20 0 DBADHO CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566984875 381677487 /nfs/dbraw/zinc/67/74/87/381677487.db2.gz WCPZRRLQHOZRLX-AVGNSLFASA-N 1 3 311.430 -0.332 20 0 DBADHO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)NC2CNC2)C1 ZINC000567573312 381702454 /nfs/dbraw/zinc/70/24/54/381702454.db2.gz VHIQKTXYLSCNRO-VXGBXAGGSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@]1(CNC(=O)C2(S(C)(=O)=O)CCNCC2)CCC[NH2+]C1 ZINC000567907949 381725233 /nfs/dbraw/zinc/72/52/33/381725233.db2.gz JPXQXUBXMYSGOW-CYBMUJFWSA-N 1 3 317.455 -0.341 20 0 DBADHO CN1[C@@H]2CC[C@H]1CN(C(=O)C(=O)NC1CC[NH+](C)CC1)CC2 ZINC000569023570 381785213 /nfs/dbraw/zinc/78/52/13/381785213.db2.gz RVXWABIVUQQBHE-KGLIPLIRSA-N 1 3 308.426 -0.108 20 0 DBADHO N[C@H](CC(F)F)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000572760168 381800439 /nfs/dbraw/zinc/80/04/39/381800439.db2.gz JCEVWYSGPFLZAH-SFYZADRCSA-N 1 3 318.290 -0.079 20 0 DBADHO [NH3+]CCNC(=O)[C@@H]1CCCN(CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000573444483 381827018 /nfs/dbraw/zinc/82/70/18/381827018.db2.gz CXHRZOIGXHLAIJ-KFWWJZLASA-N 1 3 310.442 -0.364 20 0 DBADHO CN1CCN(C(=O)CC[N@@H+]2C[C@@H](CN)C3(C2)CCOCC3)CC1 ZINC000573444504 381828636 /nfs/dbraw/zinc/82/86/36/381828636.db2.gz DDJFYEBFMYLZJB-OAHLLOKOSA-N 1 3 324.469 -0.162 20 0 DBADHO CN1CCN(C(=O)CC[N@H+]2C[C@@H](CN)C3(C2)CCOCC3)CC1 ZINC000573444504 381828641 /nfs/dbraw/zinc/82/86/41/381828641.db2.gz DDJFYEBFMYLZJB-OAHLLOKOSA-N 1 3 324.469 -0.162 20 0 DBADHO CN1CCN(C(=O)CCN2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000573444504 381828644 /nfs/dbraw/zinc/82/86/44/381828644.db2.gz DDJFYEBFMYLZJB-OAHLLOKOSA-N 1 3 324.469 -0.162 20 0 DBADHO O=C(N[C@H]1CCCC[NH2+]C1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000573075139 381812859 /nfs/dbraw/zinc/81/28/59/381812859.db2.gz HWEBUCBULOEFND-UONOGXRCSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)(C)N1CCCN(C(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000575038572 381881433 /nfs/dbraw/zinc/88/14/33/381881433.db2.gz NGYFNLJSLHLLEY-OKILXGFUSA-N 1 3 322.453 -0.003 20 0 DBADHO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000574031722 381846931 /nfs/dbraw/zinc/84/69/31/381846931.db2.gz RHUBGBQWRAFAHG-ZIAGYGMSSA-N 1 3 308.426 -0.107 20 0 DBADHO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CN2CCN1CCC2 ZINC000574099102 381851134 /nfs/dbraw/zinc/85/11/34/381851134.db2.gz UDUDVGYARHZSSL-HUUCEWRRSA-N 1 3 312.458 -0.415 20 0 DBADHO N[C@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CCN2C1=O ZINC000574651263 381873841 /nfs/dbraw/zinc/87/38/41/381873841.db2.gz DRMKHLAYBYUVBP-AVGNSLFASA-N 1 3 309.414 -0.543 20 0 DBADHO CCC[NH2+][C@H](C)C(=O)Nc1cnn(CC(=O)NCCN(C)C)c1 ZINC000576343708 381920490 /nfs/dbraw/zinc/92/04/90/381920490.db2.gz YTWKFHUKKPWVGR-GFCCVEGCSA-N 1 3 324.429 -0.113 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C[N@@H+]1C1CC1 ZINC000577530179 381964772 /nfs/dbraw/zinc/96/47/72/381964772.db2.gz AATHXPPUGUQMGK-XWUBHJNHSA-N 1 3 321.425 -0.435 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C[N@H+]1C1CC1 ZINC000577530179 381964781 /nfs/dbraw/zinc/96/47/81/381964781.db2.gz AATHXPPUGUQMGK-XWUBHJNHSA-N 1 3 321.425 -0.435 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)C1 ZINC000580551033 381942944 /nfs/dbraw/zinc/94/29/44/381942944.db2.gz SHJSEPWAHKGUHM-BBRMVZONSA-N 1 3 308.426 -0.249 20 0 DBADHO CCOC[C@H](O)C[NH+]1CCC(C(=O)NCCN(C)C)CC1 ZINC000178647505 381984133 /nfs/dbraw/zinc/98/41/33/381984133.db2.gz ZVYFDYOXDVGMAL-CQSZACIVSA-N 1 3 301.431 -0.226 20 0 DBADHO CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000579217496 382053665 /nfs/dbraw/zinc/05/36/65/382053665.db2.gz BMZSBSAMEFVXQD-HZSPNIEDSA-N 1 3 322.453 -0.099 20 0 DBADHO CCN(CC)CC(=O)N1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000578445847 382018187 /nfs/dbraw/zinc/01/81/87/382018187.db2.gz WHQCEAJBGOXQIT-UHFFFAOYSA-N 1 3 311.474 -0.622 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CCN2C1=O ZINC000578767394 382034252 /nfs/dbraw/zinc/03/42/52/382034252.db2.gz UCIMBFBZXVHAQG-LOWDOPEQSA-N 1 3 309.414 -0.543 20 0 DBADHO C[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)C(=O)NCCN1CCCCC1 ZINC000580772668 382112819 /nfs/dbraw/zinc/11/28/19/382112819.db2.gz OXXOQGVDQUBFBG-MGPQQGTHSA-N 1 3 310.442 -0.051 20 0 DBADHO O[C@H]1COCCN(CCCCC[N@@H+]2CCOC[C@H](O)C2)C1 ZINC000579728359 382090239 /nfs/dbraw/zinc/09/02/39/382090239.db2.gz JMCNDEGJUXDNQY-HUUCEWRRSA-N 1 3 302.415 -0.457 20 0 DBADHO O[C@H]1COCCN(CCCCC[N@H+]2CCOC[C@H](O)C2)C1 ZINC000579728359 382090242 /nfs/dbraw/zinc/09/02/42/382090242.db2.gz JMCNDEGJUXDNQY-HUUCEWRRSA-N 1 3 302.415 -0.457 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000642440173 382168831 /nfs/dbraw/zinc/16/88/31/382168831.db2.gz XUTYUOPSWGVZEH-MJBXVCDLSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NCCC[NH+]2CCCC2)CC1=O ZINC000072816712 382321908 /nfs/dbraw/zinc/32/19/08/382321908.db2.gz IZDOFJTWETYQGP-AWEZNQCLSA-N 1 3 310.442 -0.001 20 0 DBADHO CCN1CCO[C@@H](C(=O)N(CCN(C)C)CC[NH+](C)C)C1 ZINC000073428033 382323564 /nfs/dbraw/zinc/32/35/64/382323564.db2.gz AMWMURALOOLOBV-CQSZACIVSA-N 1 3 300.447 -0.341 20 0 DBADHO CCN(CC[NH3+])C(=O)C(=O)NCCCN1CCCO[C@H](C)C1 ZINC000627296308 382358134 /nfs/dbraw/zinc/35/81/34/382358134.db2.gz DELSNNZNPPOJFM-CYBMUJFWSA-N 1 3 314.430 -0.589 20 0 DBADHO CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000619898467 382432049 /nfs/dbraw/zinc/43/20/49/382432049.db2.gz GNLQWJAXHLXLRN-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000619898467 382432053 /nfs/dbraw/zinc/43/20/53/382432053.db2.gz GNLQWJAXHLXLRN-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620481811 382449173 /nfs/dbraw/zinc/44/91/73/382449173.db2.gz XOABKLFYVFGYCG-CVEARBPZSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C([C@@H]1CN2CCN1CCC2)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000620481811 382449175 /nfs/dbraw/zinc/44/91/75/382449175.db2.gz XOABKLFYVFGYCG-CVEARBPZSA-N 1 3 322.453 -0.566 20 0 DBADHO O=C(CC[C@H]1CCC[NH2+]C1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000621623414 382492965 /nfs/dbraw/zinc/49/29/65/382492965.db2.gz AUOMMQPNPLBRRG-LLVKDONJSA-N 1 3 307.402 -0.067 20 0 DBADHO O=C(CC[C@@H]1CCC[NH2+]C1)Nc1nc(N2CCNCC2)n[nH]1 ZINC000621623415 382493160 /nfs/dbraw/zinc/49/31/60/382493160.db2.gz AUOMMQPNPLBRRG-NSHDSACASA-N 1 3 307.402 -0.067 20 0 DBADHO C[C@@H]1C[C@H](NC(=O)C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)CCN1C ZINC000621838794 382513445 /nfs/dbraw/zinc/51/34/45/382513445.db2.gz JFRSGELUUSPAHT-BRXULGCHSA-N 1 3 308.426 -0.075 20 0 DBADHO C[C@H](CNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)N(C)C1CC1 ZINC000621843465 382515326 /nfs/dbraw/zinc/51/53/26/382515326.db2.gz FWVIWMYIUAKZIU-HSMVNMDESA-N 1 3 308.426 -0.075 20 0 DBADHO CN(C)CCOCCNC(=O)C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621845778 382516716 /nfs/dbraw/zinc/51/67/16/382516716.db2.gz PHLIILAPCANUNJ-DOMZBBRYSA-N 1 3 312.414 -0.979 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)C[C@@H]21 ZINC000622031555 382539736 /nfs/dbraw/zinc/53/97/36/382539736.db2.gz PJGDSFSRBOXUKZ-DVZHBHJUSA-N 1 3 306.410 -0.511 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622026941 382535035 /nfs/dbraw/zinc/53/50/35/382535035.db2.gz VIFAKJJXVZJBLU-XJKSGUPXSA-N 1 3 308.426 -0.120 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)C1 ZINC000622027814 382535510 /nfs/dbraw/zinc/53/55/10/382535510.db2.gz ICASIRFUHHGTKN-ZENOOKHLSA-N 1 3 308.426 -0.121 20 0 DBADHO CN(C[C@@H]1CCCN1C)C(=O)C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622031230 382538081 /nfs/dbraw/zinc/53/80/81/382538081.db2.gz JIJBKMQIRUQLFX-XEZPLFJOSA-N 1 3 308.426 -0.121 20 0 DBADHO C[NH+](C)CCOc1ccccc1CNc1nc(N)nc(N)n1 ZINC000623908657 382584763 /nfs/dbraw/zinc/58/47/63/382584763.db2.gz LAXBFJUBTCIQOP-UHFFFAOYSA-N 1 3 303.370 -0.329 20 0 DBADHO Nc1nc(N)nc(N2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000624011675 382596056 /nfs/dbraw/zinc/59/60/56/382596056.db2.gz GHYAYNZPCTUSPR-UHFFFAOYSA-N 1 3 307.402 -0.222 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)NCCN1CCC[C@H](C)C1 ZINC000627357535 382617914 /nfs/dbraw/zinc/61/79/14/382617914.db2.gz IQSCFJOUMHGHHE-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCCOCCC[NH3+])C1 ZINC000627357839 382618013 /nfs/dbraw/zinc/61/80/13/382618013.db2.gz RZNNTRJHYSCZIY-CYBMUJFWSA-N 1 3 314.430 -0.684 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627361820 382618328 /nfs/dbraw/zinc/61/83/28/382618328.db2.gz ZXQIFOBRILNOOE-CHWSQXEVSA-N 1 3 314.430 -0.672 20 0 DBADHO CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627445196 382627130 /nfs/dbraw/zinc/62/71/30/382627130.db2.gz GTQQCTPWNYKKKE-ZDUSSCGKSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000627445927 382627755 /nfs/dbraw/zinc/62/77/55/382627755.db2.gz BGZOKHSJFKKIFC-QWHCGFSZSA-N 1 3 308.426 -0.060 20 0 DBADHO [NH3+]C1(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CCOCC1 ZINC000627455142 382628453 /nfs/dbraw/zinc/62/84/53/382628453.db2.gz MHZSMQWTIVMQJQ-ZDUSSCGKSA-N 1 3 324.425 -0.693 20 0 DBADHO C[NH2+]CCOCCNC(=O)C(=O)N(C)CCN1CCCCC1 ZINC000627461297 382629246 /nfs/dbraw/zinc/62/92/46/382629246.db2.gz LIXTVSISCAIKPF-UHFFFAOYSA-N 1 3 314.430 -0.717 20 0 DBADHO CN(C(=O)Cc1nnc[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000631246823 382646567 /nfs/dbraw/zinc/64/65/67/382646567.db2.gz KXCQBNSCZOPMBD-CYBMUJFWSA-N 1 3 306.414 -0.026 20 0 DBADHO [NH3+]CCNC(=O)[C@H]1CCCN([C@@H]2CCN(C3CCC3)C2=O)C1 ZINC000631821065 382651636 /nfs/dbraw/zinc/65/16/36/382651636.db2.gz NXDALDPEZHWAHR-GXTWGEPZSA-N 1 3 308.426 -0.073 20 0 DBADHO CN(C)[C@@H]1CCCN(S(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631918641 382654169 /nfs/dbraw/zinc/65/41/69/382654169.db2.gz IIXYSGIGEPXROF-CYBMUJFWSA-N 1 3 304.460 -0.059 20 0 DBADHO CN(C)CCCS(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000631937710 382655870 /nfs/dbraw/zinc/65/58/70/382655870.db2.gz ZBVOHCQQRAOBRY-ZDUSSCGKSA-N 1 3 304.460 -0.753 20 0 DBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000633043245 382680435 /nfs/dbraw/zinc/68/04/35/382680435.db2.gz YWWCQEUOFGQCBH-WDEREUQCSA-N 1 3 308.386 -0.669 20 0 DBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000633078558 382681200 /nfs/dbraw/zinc/68/12/00/382681200.db2.gz MBNZFGJIRYLOIC-OKILXGFUSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(N[C@@H]1CC[NH2+]C1)C(=O)N1CCN(c2ccncc2)CC1 ZINC000627507186 382635241 /nfs/dbraw/zinc/63/52/41/382635241.db2.gz FWGUIAPWSYFWRM-GFCCVEGCSA-N 1 3 303.366 -0.792 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)C2CC[NH2+]CC2)cn1 ZINC000353702252 220539703 /nfs/dbraw/zinc/53/97/03/220539703.db2.gz SYISGMCEOHHPBI-UHFFFAOYSA-N 1 3 322.413 -0.501 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(N)=O ZINC000245198855 285247838 /nfs/dbraw/zinc/24/78/38/285247838.db2.gz SBNHKALMUOSWQF-QWHCGFSZSA-N 1 3 313.446 -0.082 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H](C)NC(N)=O ZINC000245198855 285247839 /nfs/dbraw/zinc/24/78/39/285247839.db2.gz SBNHKALMUOSWQF-QWHCGFSZSA-N 1 3 313.446 -0.082 20 0 DBADHO CCN1CCN(C[C@@H](C)CNC(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000447445244 285317966 /nfs/dbraw/zinc/31/79/66/285317966.db2.gz AADWHNDDLDSYBB-KBPBESRZSA-N 1 3 300.447 -0.260 20 0 DBADHO COc1ccccc1[C@@H](N)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000646603064 391917422 /nfs/dbraw/zinc/91/74/22/391917422.db2.gz HHMFQDUQGDAUFU-STQMWFEESA-N 1 3 320.393 -0.321 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](CC)N(C)C)[NH+](C)C ZINC000649472641 392077631 /nfs/dbraw/zinc/07/76/31/392077631.db2.gz CLOKNOAQKJSQSI-XQQFMLRXSA-N 1 3 316.446 -0.740 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](CO)NC(=O)[C@H](CC)[NH+](C)C)N(C)C ZINC000649472641 392077633 /nfs/dbraw/zinc/07/76/33/392077633.db2.gz CLOKNOAQKJSQSI-XQQFMLRXSA-N 1 3 316.446 -0.740 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649318493 392034976 /nfs/dbraw/zinc/03/49/76/392034976.db2.gz PEWDUAXIGSCQRW-RFQIPJPRSA-N 1 3 308.426 -0.489 20 0 DBADHO CN1CCC[C@@H](N2CCC(C(=O)NCC[NH+](C)C)CC2)C1=O ZINC000554533748 392095209 /nfs/dbraw/zinc/09/52/09/392095209.db2.gz IIYGYDJVPMIKLD-CQSZACIVSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CN1CCCC[C@@H](N)C1=O ZINC000648132065 392358028 /nfs/dbraw/zinc/35/80/28/392358028.db2.gz IMJKEJQPQJEEDG-SDDRHHMPSA-N 1 3 300.378 -0.515 20 0 DBADHO C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)C1=CC[N@H+](C)CC1 ZINC000285022084 131131899 /nfs/dbraw/zinc/13/18/99/131131899.db2.gz MVGNDXWZUAVEJF-LBPRGKRZSA-N 1 3 308.426 -0.037 20 0 DBADHO C[C@H](NC(=O)C(=O)NCCN(C)C1CC1)C1=CC[N@@H+](C)CC1 ZINC000285022084 131131900 /nfs/dbraw/zinc/13/19/00/131131900.db2.gz MVGNDXWZUAVEJF-LBPRGKRZSA-N 1 3 308.426 -0.037 20 0 DBADHO C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)C1=CC[N@H+](C)CC1 ZINC000285022069 131132061 /nfs/dbraw/zinc/13/20/61/131132061.db2.gz MVGNDXWZUAVEJF-GFCCVEGCSA-N 1 3 308.426 -0.037 20 0 DBADHO C[C@@H](NC(=O)C(=O)NCCN(C)C1CC1)C1=CC[N@@H+](C)CC1 ZINC000285022069 131132063 /nfs/dbraw/zinc/13/20/63/131132063.db2.gz MVGNDXWZUAVEJF-GFCCVEGCSA-N 1 3 308.426 -0.037 20 0 DBADHO C[C@H](CNC(=O)CSCC(=O)NC[C@@H](C)[NH+](C)C)N(C)C ZINC000357164502 392382583 /nfs/dbraw/zinc/38/25/83/392382583.db2.gz MNXIMDBSNVZCAQ-VXGBXAGGSA-N 1 3 318.487 -0.148 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000556721058 392424361 /nfs/dbraw/zinc/42/43/61/392424361.db2.gz ZOLWLMOVNLMWJK-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000556721058 392424367 /nfs/dbraw/zinc/42/43/67/392424367.db2.gz ZOLWLMOVNLMWJK-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CNC2)c1 ZINC000561243300 392539735 /nfs/dbraw/zinc/53/97/35/392539735.db2.gz NPDDZSUGSYBESV-UHFFFAOYSA-N 1 3 304.394 -0.158 20 0 DBADHO CC[N@@H+](C)Cc1cccc(CNC(=O)C(=O)NC2CNC2)c1 ZINC000561243300 392539741 /nfs/dbraw/zinc/53/97/41/392539741.db2.gz NPDDZSUGSYBESV-UHFFFAOYSA-N 1 3 304.394 -0.158 20 0 DBADHO O=C(C[C@H]1CNCCO1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000370786073 392502727 /nfs/dbraw/zinc/50/27/27/392502727.db2.gz HNJGMUGXOAGMFW-ZDUSSCGKSA-N 1 3 305.382 -0.192 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N[C@H]2CC[NH2+]CC2(C)C)CC1=O ZINC000449702206 392551121 /nfs/dbraw/zinc/55/11/21/392551121.db2.gz CYYMJDGJMWBUAN-STQMWFEESA-N 1 3 310.442 -0.099 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1=O ZINC000158791565 392567993 /nfs/dbraw/zinc/56/79/93/392567993.db2.gz CUBAKBSFGMUNGV-CZUORRHYSA-N 1 3 308.426 -0.392 20 0 DBADHO C[C@]1(CNC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCC[NH2+]C1 ZINC000566508752 392548362 /nfs/dbraw/zinc/54/83/62/392548362.db2.gz LLAZNTONBRZMAZ-HUBLWGQQSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cc([C@@H]2CN(C(=O)NC[C@@H]3CCCC[NH2+]3)C[C@H]2N)cn1 ZINC000644198714 392693190 /nfs/dbraw/zinc/69/31/90/392693190.db2.gz XKLSGSCFDMWOHK-MELADBBJSA-N 1 3 306.414 -0.002 20 0 DBADHO C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000647595193 392652430 /nfs/dbraw/zinc/65/24/30/392652430.db2.gz RYMQIRHMUICLJQ-WDMOLILDSA-N 1 3 316.471 -0.218 20 0 DBADHO CN(CCN1CC[NH2+]CC1)C(=O)[C@]1(N)[C@H]2CCCO[C@H]2C1(C)C ZINC000647777704 392872268 /nfs/dbraw/zinc/87/22/68/392872268.db2.gz XLEAOPWLPCHZQY-JJRVBVJISA-N 1 3 324.469 -0.118 20 0 DBADHO C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC1CC[NH+](C)CC1 ZINC000645260541 392923502 /nfs/dbraw/zinc/92/35/02/392923502.db2.gz NVIHUGXENPGUMG-LBPRGKRZSA-N 1 3 311.430 -0.158 20 0 DBADHO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)N[C@@H]1CCN(C2CC2)C1 ZINC000645263852 392930586 /nfs/dbraw/zinc/93/05/86/392930586.db2.gz WRZVIWOKPXKNCP-QWHCGFSZSA-N 1 3 323.441 -0.016 20 0 DBADHO CN(C)CCOc1ccc(NC(=O)C(=O)N(C)C2C[NH2+]C2)cc1 ZINC000415735515 392998858 /nfs/dbraw/zinc/99/88/58/392998858.db2.gz MJLLYANIRLZLKQ-UHFFFAOYSA-N 1 3 320.393 -0.004 20 0 DBADHO CN(C(=O)C(=O)Nc1ccc(OCC[NH+](C)C)cc1)C1CNC1 ZINC000415735515 392998859 /nfs/dbraw/zinc/99/88/59/392998859.db2.gz MJLLYANIRLZLKQ-UHFFFAOYSA-N 1 3 320.393 -0.004 20 0 DBADHO CN1CCC[C@@H]1CNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000417274772 393026310 /nfs/dbraw/zinc/02/63/10/393026310.db2.gz ASNBIEPNTBHXRT-QWHCGFSZSA-N 1 3 311.430 -0.423 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426318 393043715 /nfs/dbraw/zinc/04/37/15/393043715.db2.gz GDAAVYYRBIXYFU-STQMWFEESA-N 1 3 313.446 -0.177 20 0 DBADHO C[C@@H](CC[NH3+])NC(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000417426725 393044088 /nfs/dbraw/zinc/04/40/88/393044088.db2.gz HLQIPYSLFQUXJE-STQMWFEESA-N 1 3 313.446 -0.034 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)N(C)CCCN(C)CC[NH+](C)C ZINC000344023595 393075367 /nfs/dbraw/zinc/07/53/67/393075367.db2.gz AYWTWCFOZOMWNJ-LBPRGKRZSA-N 1 3 301.435 -0.354 20 0 DBADHO O=C(CCOC1CNC1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000348986617 393183249 /nfs/dbraw/zinc/18/32/49/393183249.db2.gz COFWQUYCNPMBPH-CYBMUJFWSA-N 1 3 311.426 -0.018 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)N1CCN(C2CCCC2)CC1 ZINC000351561106 393287238 /nfs/dbraw/zinc/28/72/38/393287238.db2.gz XPRQTJDXFRMHJB-AWEZNQCLSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)N1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000332100250 393327458 /nfs/dbraw/zinc/32/74/58/393327458.db2.gz DUDKMVVIHZMSCQ-ZNMIVQPWSA-N 1 3 322.453 -0.005 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351515623 393279086 /nfs/dbraw/zinc/27/90/86/393279086.db2.gz CJIXGJLMNRAJQJ-STQMWFEESA-N 1 3 312.414 -0.918 20 0 DBADHO CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1CNCCO1 ZINC000418019375 393423638 /nfs/dbraw/zinc/42/36/38/393423638.db2.gz KXBYTWLNGVRAOB-ZDUSSCGKSA-N 1 3 302.419 -0.368 20 0 DBADHO O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cnc2c(c1)CNCC2 ZINC000648106682 393424417 /nfs/dbraw/zinc/42/44/17/393424417.db2.gz MAJOKMQVDJXUPR-ZDUSSCGKSA-N 1 3 303.366 -0.466 20 0 DBADHO C[C@H]1C[C@@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@@H+]1C ZINC000181036870 393487399 /nfs/dbraw/zinc/48/73/99/393487399.db2.gz BCGPHUODJRSIBJ-HRCADAONSA-N 1 3 324.469 -0.008 20 0 DBADHO C[C@H]1C[C@@H](N[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC[N@H+]1C ZINC000181036870 393487405 /nfs/dbraw/zinc/48/74/05/393487405.db2.gz BCGPHUODJRSIBJ-HRCADAONSA-N 1 3 324.469 -0.008 20 0 DBADHO CC(C)(CNC(=O)C(=O)N(CC[NH3+])CCO)N1CCCCC1 ZINC000418845570 393514676 /nfs/dbraw/zinc/51/46/76/393514676.db2.gz VTNLBFFMFODNJB-UHFFFAOYSA-N 1 3 314.430 -0.853 20 0 DBADHO C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](Cc1ccccc1)CN(C)C ZINC000418875866 393525451 /nfs/dbraw/zinc/52/54/51/393525451.db2.gz LDEHGAMMIQDZEW-JSGCOSHPSA-N 1 3 306.410 -0.261 20 0 DBADHO C[C@@H]1CCCN(CCNC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000419416610 393575311 /nfs/dbraw/zinc/57/53/11/393575311.db2.gz WMFUTXMTOYFYKP-ZIAGYGMSSA-N 1 3 310.442 -0.050 20 0 DBADHO C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000419431773 393576074 /nfs/dbraw/zinc/57/60/74/393576074.db2.gz XTFUXINEBINMFD-CHWSQXEVSA-N 1 3 312.414 -0.837 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000419403436 393571835 /nfs/dbraw/zinc/57/18/35/393571835.db2.gz DRSVDZQBHIQXSR-ZIAGYGMSSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000419405864 393572633 /nfs/dbraw/zinc/57/26/33/393572633.db2.gz HYMFUYYWDLLTIH-QWHCGFSZSA-N 1 3 312.414 -0.979 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419449413 393579938 /nfs/dbraw/zinc/57/99/38/393579938.db2.gz JWNIFKVELXKJKM-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO CCN(CCNC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1)C1CC1 ZINC000419521257 393583532 /nfs/dbraw/zinc/58/35/32/393583532.db2.gz JULWBBWQYOGNGC-INIZCTEOSA-N 1 3 308.426 -0.201 20 0 DBADHO CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000419574931 393589541 /nfs/dbraw/zinc/58/95/41/393589541.db2.gz AHTNKNAFKXLBAJ-RISCZKNCSA-N 1 3 316.471 -0.346 20 0 DBADHO CN(C)[C@@]1(CNC(=O)C(=O)NCC(C)(C)[NH3+])CCSC1 ZINC000419593801 393590859 /nfs/dbraw/zinc/59/08/59/393590859.db2.gz YIEVCHHPYNOCMM-CYBMUJFWSA-N 1 3 302.444 -0.607 20 0 DBADHO CCN1CCCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]CCOC ZINC000419593031 393590916 /nfs/dbraw/zinc/59/09/16/393590916.db2.gz SLHHXVLFMMEPMC-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO COCCNCC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000423750933 393619946 /nfs/dbraw/zinc/61/99/46/393619946.db2.gz DVJLWDAEEUEURI-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO COCCNCC(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000423750933 393619954 /nfs/dbraw/zinc/61/99/54/393619954.db2.gz DVJLWDAEEUEURI-OAHLLOKOSA-N 1 3 312.458 -0.149 20 0 DBADHO CN(C)CCOCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000471635116 393744123 /nfs/dbraw/zinc/74/41/23/393744123.db2.gz IADIVXILCVNIQJ-UHFFFAOYSA-N 1 3 316.446 -0.025 20 0 DBADHO CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)COCC[NH3+] ZINC000645855125 393720251 /nfs/dbraw/zinc/72/02/51/393720251.db2.gz LNMWUYHNVMJVMS-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO C[C@H]1CC2(CN1C(=O)C(=O)N(C)CCN(C)C)CC[NH2+]CC2 ZINC000331584674 299735810 /nfs/dbraw/zinc/73/58/10/299735810.db2.gz IHQPGTOORKSWLS-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000633038816 409747766 /nfs/dbraw/zinc/74/77/66/409747766.db2.gz AKSIOASRVZCEAQ-WDEREUQCSA-N 1 3 308.386 -0.669 20 0 DBADHO CC[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000332199150 287218572 /nfs/dbraw/zinc/21/85/72/287218572.db2.gz FGYJUJFBPYYUHN-SYQHCUMBSA-N 1 3 308.426 -0.123 20 0 DBADHO CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000332638168 287225470 /nfs/dbraw/zinc/22/54/70/287225470.db2.gz QZSLOAJMADSCEQ-RDBSUJKOSA-N 1 3 324.425 -0.742 20 0 DBADHO CCN(CC)CCNC(=O)C(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000642801245 411663176 /nfs/dbraw/zinc/66/31/76/411663176.db2.gz NHHFHAWDFLJZDE-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CS(=O)(=O)NCCN1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348904 411795723 /nfs/dbraw/zinc/79/57/23/411795723.db2.gz VLXFROKRRHIZDL-YNEHKIRRSA-N 1 3 305.444 -0.246 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cn1 ZINC000652622392 411806708 /nfs/dbraw/zinc/80/67/08/411806708.db2.gz IXIBPWMXDBWIBV-UHFFFAOYSA-N 1 3 324.429 -0.174 20 0 DBADHO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652621225 411806859 /nfs/dbraw/zinc/80/68/59/411806859.db2.gz DBAHUTXNVBLVER-LBPRGKRZSA-N 1 3 324.429 -0.127 20 0 DBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652622811 411806967 /nfs/dbraw/zinc/80/69/67/411806967.db2.gz UNBRGDCGVSQXCL-AAEUAGOBSA-N 1 3 322.413 -0.503 20 0 DBADHO CN(C)CCn1cc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cn1 ZINC000652621055 411807400 /nfs/dbraw/zinc/80/74/00/411807400.db2.gz YVDGGVJMYJLCJA-LBPRGKRZSA-N 1 3 322.413 -0.359 20 0 DBADHO CC[NH2+]CCCNC(=O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000652620925 411807551 /nfs/dbraw/zinc/80/75/51/411807551.db2.gz VPHPDPCZUJOVTM-UHFFFAOYSA-N 1 3 310.402 -0.501 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000659509064 411827769 /nfs/dbraw/zinc/82/77/69/411827769.db2.gz DTSWXPCRTSUXDA-ZDUSSCGKSA-N 1 3 313.446 -0.353 20 0 DBADHO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659534218 411832987 /nfs/dbraw/zinc/83/29/87/411832987.db2.gz BEKMSPDOEYXSMB-STQMWFEESA-N 1 3 313.446 -0.354 20 0 DBADHO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659534216 411833113 /nfs/dbraw/zinc/83/31/13/411833113.db2.gz BEKMSPDOEYXSMB-OLZOCXBDSA-N 1 3 313.446 -0.354 20 0 DBADHO C[C@@H](CCC[NH3+])NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659553852 411835978 /nfs/dbraw/zinc/83/59/78/411835978.db2.gz PCNCYOYXGXGANB-LBPRGKRZSA-N 1 3 301.435 -0.225 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000659647619 411857493 /nfs/dbraw/zinc/85/74/93/411857493.db2.gz WCMICJWFFBGHEX-ZDUSSCGKSA-N 1 3 311.430 -0.456 20 0 DBADHO C[NH2+]C[C@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000659755696 411886730 /nfs/dbraw/zinc/88/67/30/411886730.db2.gz YZZUWUVNSVBSEA-LBPRGKRZSA-N 1 3 310.398 -0.106 20 0 DBADHO CC[NH+]1CCC(NC(=O)CN2CCN3C[C@H](O)C[C@H]3C2)CC1 ZINC000653824677 411908163 /nfs/dbraw/zinc/90/81/63/411908163.db2.gz VRCCILSDMALILQ-LSDHHAIUSA-N 1 3 310.442 -0.662 20 0 DBADHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654452733 411938489 /nfs/dbraw/zinc/93/84/89/411938489.db2.gz ZOCPGLWKVOWLOW-QLFBSQMISA-N 1 3 308.426 -0.069 20 0 DBADHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000654452733 411938491 /nfs/dbraw/zinc/93/84/91/411938491.db2.gz ZOCPGLWKVOWLOW-QLFBSQMISA-N 1 3 308.426 -0.069 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000653542457 411877418 /nfs/dbraw/zinc/87/74/18/411877418.db2.gz RABUKXMFFXZJKP-HRCADAONSA-N 1 3 315.458 -0.544 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1CCN([C@H]2CCC[C@H]2O)CC1 ZINC000653542457 411877424 /nfs/dbraw/zinc/87/74/24/411877424.db2.gz RABUKXMFFXZJKP-HRCADAONSA-N 1 3 315.458 -0.544 20 0 DBADHO COC[C@@]1(CNC(=O)N2CCN3C[C@H](O)C[C@H]3C2)CCC[NH2+]1 ZINC000655967017 411981655 /nfs/dbraw/zinc/98/16/55/411981655.db2.gz KKQJKQMSGDJHEN-GUTXKFCHSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(N[C@H]1CCC[NH2+]C1)C(=O)N[C@H]1CCCN2CCCC[C@H]12 ZINC000656022328 411988765 /nfs/dbraw/zinc/98/87/65/411988765.db2.gz GJTCRZPGCUMNCY-MELADBBJSA-N 1 3 308.426 -0.012 20 0 DBADHO [NH3+]C[C@H](NC(=O)C(=O)N[C@H]1CCCN2CCCC[C@@H]12)C1CC1 ZINC000656025108 411989067 /nfs/dbraw/zinc/98/90/67/411989067.db2.gz YJUSZDRYSBDQAQ-IHRRRGAJSA-N 1 3 308.426 -0.027 20 0 DBADHO [NH3+][C@H](CNC(=O)C(=O)N[C@H]1CCCN2CCCC[C@H]12)C1CC1 ZINC000656020895 411989375 /nfs/dbraw/zinc/98/93/75/411989375.db2.gz VUANTZLATVCHNE-HZSPNIEDSA-N 1 3 308.426 -0.027 20 0 DBADHO [NH3+]C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN3CCCC[C@H]23)CCO1 ZINC000656028438 411991279 /nfs/dbraw/zinc/99/12/79/411991279.db2.gz LBCDRNGRDFRRSQ-MGPQQGTHSA-N 1 3 324.425 -0.694 20 0 DBADHO NCC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000656787750 412012202 /nfs/dbraw/zinc/01/22/02/412012202.db2.gz UCMJQXWINKQJEN-ZIAGYGMSSA-N 1 3 306.414 -0.203 20 0 DBADHO NCC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](Cn3ccnn3)C2)C1 ZINC000656787750 412012203 /nfs/dbraw/zinc/01/22/03/412012203.db2.gz UCMJQXWINKQJEN-ZIAGYGMSSA-N 1 3 306.414 -0.203 20 0 DBADHO Cc1cn(C)nc1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000657839068 412044252 /nfs/dbraw/zinc/04/42/52/412044252.db2.gz LBMYQEUNFCWQSC-UHFFFAOYSA-N 1 3 324.429 -0.381 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000657873166 412045091 /nfs/dbraw/zinc/04/50/91/412045091.db2.gz FLFMWYLIPIBNLP-UHFFFAOYSA-N 1 3 319.409 -0.250 20 0 DBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)CC2CN(C)C2)C1 ZINC000658460542 412055103 /nfs/dbraw/zinc/05/51/03/412055103.db2.gz NAOPBTPINQBCPO-CQSZACIVSA-N 1 3 310.442 -0.051 20 0 DBADHO CC(C)N1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C1 ZINC000658747733 412068220 /nfs/dbraw/zinc/06/82/20/412068220.db2.gz QAMFUPXIAYBKJQ-CQSZACIVSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C1 ZINC000658747733 412068223 /nfs/dbraw/zinc/06/82/23/412068223.db2.gz QAMFUPXIAYBKJQ-CQSZACIVSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CC2CN(C)C2)C1 ZINC000658747733 412068225 /nfs/dbraw/zinc/06/82/25/412068225.db2.gz QAMFUPXIAYBKJQ-CQSZACIVSA-N 1 3 310.442 -0.053 20 0 DBADHO NC[C@@H]1c2ccccc2CCN1C(=O)c1cn(CC[NH3+])nn1 ZINC000659324458 412086168 /nfs/dbraw/zinc/08/61/68/412086168.db2.gz DVSGYALRGJJESQ-CQSZACIVSA-N 1 3 300.366 -0.065 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NC1CCC([NH3+])CC1 ZINC000659519622 412092127 /nfs/dbraw/zinc/09/21/27/412092127.db2.gz TTXDJQMQYJXFTE-UHFFFAOYSA-N 1 3 313.446 -0.082 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000659556439 412094259 /nfs/dbraw/zinc/09/42/59/412094259.db2.gz XPPOXCFKHPRFIS-CHWSQXEVSA-N 1 3 313.446 -0.225 20 0 DBADHO C[C@@H]([NH3+])C[C@@H](C)NC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000659556179 412094312 /nfs/dbraw/zinc/09/43/12/412094312.db2.gz QVTJGLXUJGMZGA-VXGBXAGGSA-N 1 3 301.435 -0.226 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659613049 412095002 /nfs/dbraw/zinc/09/50/02/412095002.db2.gz YQRRNPREHLFCGL-UHFFFAOYSA-N 1 3 311.430 -0.600 20 0 DBADHO CCCN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@H]1CC[NH2+]C1 ZINC000659629179 412096605 /nfs/dbraw/zinc/09/66/05/412096605.db2.gz PNDKDNWAHFWURP-NSHDSACASA-N 1 3 308.386 -0.076 20 0 DBADHO CCCN(C(=O)NCc1nc(C[NH3+])cc(=O)[n-]1)[C@@H]1CC[NH2+]C1 ZINC000659629178 412097183 /nfs/dbraw/zinc/09/71/83/412097183.db2.gz PNDKDNWAHFWURP-LLVKDONJSA-N 1 3 308.386 -0.076 20 0 DBADHO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659694721 412105450 /nfs/dbraw/zinc/10/54/50/412105450.db2.gz NFJLJXZBRGWZRV-SQNXGDPESA-N 1 3 312.389 -0.517 20 0 DBADHO C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)C(=O)N1CC[C@@H](F)[C@H](N)C1 ZINC000659694721 412105451 /nfs/dbraw/zinc/10/54/51/412105451.db2.gz NFJLJXZBRGWZRV-SQNXGDPESA-N 1 3 312.389 -0.517 20 0 DBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[N@@H+]1C1CC1 ZINC000659692757 412105796 /nfs/dbraw/zinc/10/57/96/412105796.db2.gz GMCCOCRZHXVFSU-XKAARJIMSA-N 1 3 312.389 -0.375 20 0 DBADHO C[C@H]1C[C@@H](NC(=O)C(=O)N2CC[C@@H](F)[C@H](N)C2)C[N@H+]1C1CC1 ZINC000659692757 412105801 /nfs/dbraw/zinc/10/58/01/412105801.db2.gz GMCCOCRZHXVFSU-XKAARJIMSA-N 1 3 312.389 -0.375 20 0 DBADHO C[C@H]1CCCN(CCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659697426 412106836 /nfs/dbraw/zinc/10/68/36/412106836.db2.gz GTNCQXAJZZXLBM-FUJMWEONSA-N 1 3 308.426 -0.216 20 0 DBADHO CC1CCN(CCNC(=O)C(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659699589 412108370 /nfs/dbraw/zinc/10/83/70/412108370.db2.gz YSDARJNAXHRPFO-UHFFFAOYSA-N 1 3 308.426 -0.216 20 0 DBADHO [NH3+]CC12CC(C1)CN2C(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000659705577 412109260 /nfs/dbraw/zinc/10/92/60/412109260.db2.gz ZDIBNXIOTNYREQ-MFOWVQHXSA-N 1 3 306.410 -0.463 20 0 DBADHO O=C(N[C@H]1CC[NH2+]C1)C(=O)N[C@H]1CCN(C2CCCCC2)C1 ZINC000659713191 412111121 /nfs/dbraw/zinc/11/11/21/412111121.db2.gz FFQKBBGVOSEYQE-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000659738677 412117885 /nfs/dbraw/zinc/11/78/85/412117885.db2.gz IICQDQIVGPYSPT-STQMWFEESA-N 1 3 312.414 -0.837 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000659738674 412118069 /nfs/dbraw/zinc/11/80/69/412118069.db2.gz IICQDQIVGPYSPT-CHWSQXEVSA-N 1 3 312.414 -0.837 20 0 DBADHO CN(CCN1CCCCC1)C(=O)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659739149 412119701 /nfs/dbraw/zinc/11/97/01/412119701.db2.gz FAJBPPMXGZATCT-UHFFFAOYSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@H]1C[C@H](N(C)C(=O)C(=O)NCC23CC(C2)C[NH2+]3)CCN1C ZINC000659744385 412120585 /nfs/dbraw/zinc/12/05/85/412120585.db2.gz UIRDOMOVGIZKMC-OPXGVBIBSA-N 1 3 308.426 -0.204 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)N(CCN(C)C)Cc1ccco1 ZINC000659755694 412122539 /nfs/dbraw/zinc/12/25/39/412122539.db2.gz YZZUWUVNSVBSEA-GFCCVEGCSA-N 1 3 310.398 -0.106 20 0 DBADHO CS(=O)(=O)NCC1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662276929 412175392 /nfs/dbraw/zinc/17/53/92/412175392.db2.gz AKNUYQQHTHFMQP-ZDUSSCGKSA-N 1 3 317.455 -0.231 20 0 DBADHO C[NH+](C)CCC[C@H]1CN(CCC(=O)N2CCNCC2)CCO1 ZINC000662328148 412178915 /nfs/dbraw/zinc/17/89/15/412178915.db2.gz ZFRMLFYZDAGYGY-HNNXBMFYSA-N 1 3 312.458 -0.149 20 0 DBADHO COC[C@@]1(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC[NH2+]C1 ZINC000662709854 412196406 /nfs/dbraw/zinc/19/64/06/412196406.db2.gz TVQAFCWMCLEJND-GOEBONIOSA-N 1 3 311.426 -0.018 20 0 DBADHO CN1CCC[C@H](N2CCN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])CC2)C1 ZINC000662760567 412199429 /nfs/dbraw/zinc/19/94/29/412199429.db2.gz WYBOKLFURASAQR-SOUVJXGZSA-N 1 3 310.442 -0.411 20 0 DBADHO CN(C)CCOCCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662795834 412202390 /nfs/dbraw/zinc/20/23/90/412202390.db2.gz DAQMADWJVXJGJT-CYBMUJFWSA-N 1 3 324.429 -0.099 20 0 DBADHO CC(C)CN(CCN(C)C)C(=O)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662921719 412212142 /nfs/dbraw/zinc/21/21/42/412212142.db2.gz NNBMPPJYHNSEHX-UHFFFAOYSA-N 1 3 310.442 -0.018 20 0 DBADHO CC[NH+](CC)CCOCCNC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664648692 412258622 /nfs/dbraw/zinc/25/86/22/412258622.db2.gz TXDJYHZKQNIARO-KBPBESRZSA-N 1 3 316.446 -0.339 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC[C@@H](C)[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664785982 412260699 /nfs/dbraw/zinc/26/06/99/412260699.db2.gz UUWLNRCFHPNJKW-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CCN(CC[C@@H](C)[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664785982 412260701 /nfs/dbraw/zinc/26/07/01/412260701.db2.gz UUWLNRCFHPNJKW-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CCN([C@H](C)CC[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664785982 412260705 /nfs/dbraw/zinc/26/07/05/412260705.db2.gz UUWLNRCFHPNJKW-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)[C@@H]1CCN([C@H](C)CC[N@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000664785982 412260708 /nfs/dbraw/zinc/26/07/08/412260708.db2.gz UUWLNRCFHPNJKW-MGPQQGTHSA-N 1 3 310.442 -0.099 20 0 DBADHO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC4CC3(CN)C4)CC[C@@H]21 ZINC000662944745 412218376 /nfs/dbraw/zinc/21/83/76/412218376.db2.gz SBVAHJIHBRHPSN-DLOXAQCQSA-N 1 3 320.437 -0.121 20 0 DBADHO C[N@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CC4CC3(CN)C4)CC[C@@H]21 ZINC000662944745 412218378 /nfs/dbraw/zinc/21/83/78/412218378.db2.gz SBVAHJIHBRHPSN-DLOXAQCQSA-N 1 3 320.437 -0.121 20 0 DBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)no1 ZINC000525882416 412357481 /nfs/dbraw/zinc/35/74/81/412357481.db2.gz LSRFJXZVWVHLIA-UHFFFAOYSA-N 1 3 311.386 -0.127 20 0 DBADHO CN(C)CCn1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)n1 ZINC000448530612 412290352 /nfs/dbraw/zinc/29/03/52/412290352.db2.gz XCCZAFNYCHDICS-UHFFFAOYSA-N 1 3 324.429 -0.160 20 0 DBADHO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccn(CCN(C)C)n1 ZINC000448509781 412297448 /nfs/dbraw/zinc/29/74/48/412297448.db2.gz IJNOEKADBPHVCH-GFCCVEGCSA-N 1 3 324.429 -0.160 20 0 DBADHO Cc1cc(NC(=O)CN2CCN(CC[C@@H]3CC[NH2+]C3)CC2)no1 ZINC000582423498 412385387 /nfs/dbraw/zinc/38/53/87/412385387.db2.gz ALCNGOXQBWNUME-AWEZNQCLSA-N 1 3 321.425 0.539 20 0 DBADHO COCCN1CCC[C@@H]1CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000669473299 544569014 /nfs/dbraw/zinc/56/90/14/544569014.db2.gz VCOGQDOHMCQBAS-BFHYXJOUSA-N 1 3 314.430 -0.145 20 0 DBADHO C[C@@H]1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)[C@H](C[NH3+])C1 ZINC000261930453 544652117 /nfs/dbraw/zinc/65/21/17/544652117.db2.gz ZXCYWJAHMASKJC-MCIONIFRSA-N 1 3 310.442 -0.018 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC1=O ZINC000667811462 544749179 /nfs/dbraw/zinc/74/91/79/544749179.db2.gz MUWSLTBQQZDTBG-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@@H]1CCNC1=O ZINC000667811462 544749181 /nfs/dbraw/zinc/74/91/81/544749181.db2.gz MUWSLTBQQZDTBG-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC1=O ZINC000667811460 544749459 /nfs/dbraw/zinc/74/94/59/544749459.db2.gz MUWSLTBQQZDTBG-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)[C@H]1CCNC1=O ZINC000667811460 544749465 /nfs/dbraw/zinc/74/94/65/544749465.db2.gz MUWSLTBQQZDTBG-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](NC(=O)C(=O)N1CC[C@H](N(C)C)C1)C1CC[NH+](C)CC1 ZINC000672013527 544761539 /nfs/dbraw/zinc/76/15/39/544761539.db2.gz LMPOXRPDIZHRBT-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC(=O)N1 ZINC000684004503 545016400 /nfs/dbraw/zinc/01/64/00/545016400.db2.gz WJOXTDWLYUITNM-CYBMUJFWSA-N 1 3 313.446 -0.210 20 0 DBADHO COCC[NH2+]CCNC(=O)NC[C@@]1(N(C)C)CCSC1 ZINC000417826588 265746658 /nfs/dbraw/zinc/74/66/58/265746658.db2.gz NDVRZXGWBGYZLK-ZDUSSCGKSA-N 1 3 304.460 -0.041 20 0 DBADHO [NH3+][C@@H](CNC(=O)C(=O)N1CCC[C@H]1CN1CCCC1)C1CC1 ZINC000419878862 265822868 /nfs/dbraw/zinc/82/28/68/265822868.db2.gz ZFECSTDIHRIMOR-KBPBESRZSA-N 1 3 308.426 -0.073 20 0 DBADHO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NC[C@@H]2CNCCO2)C1 ZINC000420197562 265851469 /nfs/dbraw/zinc/85/14/69/265851469.db2.gz MDNWQGDMYYADLY-OLZOCXBDSA-N 1 3 312.414 -0.966 20 0 DBADHO CN(C)CCNC(=O)Cn1cc(NC(=O)[C@@H]2CC[NH2+]C2)cn1 ZINC000430787743 266012535 /nfs/dbraw/zinc/01/25/35/266012535.db2.gz IRVIKMGRKXBNJA-LLVKDONJSA-N 1 3 308.386 -0.891 20 0 DBADHO NC(=O)[C@@H]1CCCN(C(=O)CN2CCC3(CC[NH2+]C3)CC2)C1 ZINC000431028192 266017056 /nfs/dbraw/zinc/01/70/56/266017056.db2.gz NRUAXRRQQPERHY-CYBMUJFWSA-N 1 3 308.426 -0.214 20 0 DBADHO COCCN(C)CCNC(=O)CCCN1CCC([NH3+])CC1 ZINC000433115686 266038194 /nfs/dbraw/zinc/03/81/94/266038194.db2.gz KFIMVEGJFNGYRO-UHFFFAOYSA-N 1 3 300.447 -0.116 20 0 DBADHO COCCN(C)CCCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433380450 266041044 /nfs/dbraw/zinc/04/10/44/266041044.db2.gz BTPWUOFRYJXQQX-CYBMUJFWSA-N 1 3 324.429 -0.099 20 0 DBADHO CC(C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])S(C)(=O)=O ZINC000434702862 266056121 /nfs/dbraw/zinc/05/61/21/266056121.db2.gz OCWXRZVIAXEINO-MNOVXSKESA-N 1 3 319.427 -0.734 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1=O ZINC000442603492 266126742 /nfs/dbraw/zinc/12/67/42/266126742.db2.gz VRHMLESPZMCSEI-KBPBESRZSA-N 1 3 310.442 -0.016 20 0 DBADHO N[C@H]1C[C@@H]2CN(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)CCN2C1=O ZINC000516492518 266282134 /nfs/dbraw/zinc/28/21/34/266282134.db2.gz MJOYBKXIDSODMV-SYQHCUMBSA-N 1 3 323.441 -0.295 20 0 DBADHO COCCN1CCC[C@H]1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000517224899 266291774 /nfs/dbraw/zinc/29/17/74/266291774.db2.gz FJEYHBLPAMCPMO-QWHCGFSZSA-N 1 3 300.403 -0.534 20 0 DBADHO [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2OCCN[C@H]2C1 ZINC000517750199 266295810 /nfs/dbraw/zinc/29/58/10/266295810.db2.gz YNRSJBBWYSVUAN-QAETUUGQSA-N 1 3 305.422 -0.020 20 0 DBADHO C[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000518960528 266304240 /nfs/dbraw/zinc/30/42/40/266304240.db2.gz CKNBPSJRGCJAQW-MQYQWHSLSA-N 1 3 306.410 -0.641 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN(C)C(C)(C)CN1CCOCC1 ZINC000519770575 266315175 /nfs/dbraw/zinc/31/51/75/266315175.db2.gz ZPHNWMHIGJVWLV-HNNXBMFYSA-N 1 3 317.474 -0.032 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN(C)C(C)(C)CN1CCOCC1 ZINC000519770575 266315178 /nfs/dbraw/zinc/31/51/78/266315178.db2.gz ZPHNWMHIGJVWLV-HNNXBMFYSA-N 1 3 317.474 -0.032 20 0 DBADHO O=C(CN1CCN(CC[C@@H]2CC[NH2+]C2)CC1)N1CCOCC1 ZINC000519821900 266316637 /nfs/dbraw/zinc/31/66/37/266316637.db2.gz LMRAKDQYOVOFDJ-HNNXBMFYSA-N 1 3 310.442 -0.538 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000521858924 266329652 /nfs/dbraw/zinc/32/96/52/266329652.db2.gz BPVRFTJNICNNHC-REWJHTLYSA-N 1 3 308.426 -0.265 20 0 DBADHO C[C@@H](O)C[NH+]1CCC(CN(C)[C@H](C)C(=O)NC(N)=O)CC1 ZINC000246987062 278395836 /nfs/dbraw/zinc/39/58/36/278395836.db2.gz ASUJETIRMXDRPM-GHMZBOCLSA-N 1 3 300.403 -0.406 20 0 DBADHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNC(N)=O ZINC000338091772 279328867 /nfs/dbraw/zinc/32/88/67/279328867.db2.gz OGGIRRIMMRREGC-ZDUSSCGKSA-N 1 3 313.446 -0.081 20 0 DBADHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CCNC(N)=O ZINC000338091772 279328868 /nfs/dbraw/zinc/32/88/68/279328868.db2.gz OGGIRRIMMRREGC-ZDUSSCGKSA-N 1 3 313.446 -0.081 20 0 DBADHO CC(C)N(CCN(C)C)C(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423515014 279428719 /nfs/dbraw/zinc/42/87/19/279428719.db2.gz SMSNDKSHDATFDP-KGLIPLIRSA-N 1 3 310.442 -0.147 20 0 DBADHO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N1C[C@@H]2CCCN2C[C@@H]1C ZINC000332570554 288320462 /nfs/dbraw/zinc/32/04/62/288320462.db2.gz CPRIBIACYBRNCN-RFGFWPKPSA-N 1 3 308.426 -0.204 20 0 DBADHO NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446272197 295149856 /nfs/dbraw/zinc/14/98/56/295149856.db2.gz OUQVQHFBLVMZIU-SDDRHHMPSA-N 1 3 300.378 -0.610 20 0 DBADHO NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)[C@H]2C[C@H](F)CN2)C1 ZINC000446272197 295149857 /nfs/dbraw/zinc/14/98/57/295149857.db2.gz OUQVQHFBLVMZIU-SDDRHHMPSA-N 1 3 300.378 -0.610 20 0 DBADHO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)[C@]1(F)CCNC1 ZINC000193705989 295226188 /nfs/dbraw/zinc/22/61/88/295226188.db2.gz ZPXDMUUUVBESIB-RISCZKNCSA-N 1 3 300.378 -0.466 20 0 DBADHO O=C(CN1C(=O)CCC1=O)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000261995534 295492068 /nfs/dbraw/zinc/49/20/68/295492068.db2.gz SUIOYOSMIDFHPQ-UHFFFAOYSA-N 1 3 322.409 -0.721 20 0 DBADHO CCOC[C@H](O)C[NH2+]CC1(N2CCOCC2)CCN(C)CC1 ZINC000570837701 332826982 /nfs/dbraw/zinc/82/69/82/332826982.db2.gz XOLWODUEKYSMQP-OAHLLOKOSA-N 1 3 315.458 -0.230 20 0 DBADHO C[C@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H]1N(C)C ZINC000569473966 332099558 /nfs/dbraw/zinc/09/95/58/332099558.db2.gz DARUAXPZRPJWKS-KBPBESRZSA-N 1 3 322.453 -0.003 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@@H]2C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000572593277 332125197 /nfs/dbraw/zinc/12/51/97/332125197.db2.gz AZSJVUILJRTAPG-MGPQQGTHSA-N 1 3 306.410 -0.639 20 0 DBADHO C[C@H]1OC(C)(C)N[C@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000580301671 333080247 /nfs/dbraw/zinc/08/02/47/333080247.db2.gz NXCTXENVKXMOIZ-NEPJUHHUSA-N 1 3 314.430 -0.374 20 0 DBADHO C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580330370 333204690 /nfs/dbraw/zinc/20/46/90/333204690.db2.gz HYQHSBDHVWAWBP-MQYQWHSLSA-N 1 3 310.442 -0.053 20 0 DBADHO Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)N[C@H](C)C[NH3+] ZINC000567234331 336385289 /nfs/dbraw/zinc/38/52/89/336385289.db2.gz UUTUPEIRMYLBJS-SECBINFHSA-N 1 3 303.432 -0.313 20 0 DBADHO N[C@@H]1C[C@@H]2CN(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CCN2C1=O ZINC000584362781 337101934 /nfs/dbraw/zinc/10/19/34/337101934.db2.gz YPEYZNKAKZTMPA-LOWDOPEQSA-N 1 3 309.414 -0.543 20 0 DBADHO CN(C)[C@]1(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)CCSC1 ZINC000582536305 337106385 /nfs/dbraw/zinc/10/63/85/337106385.db2.gz SQTYGJZRRULGDX-JSGCOSHPSA-N 1 3 315.487 -0.374 20 0 DBADHO C[C@@H]1CN2CCC[C@@H]2CN1C(=O)C(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000583078831 337236484 /nfs/dbraw/zinc/23/64/84/337236484.db2.gz OWPMZBHUYDMBKE-SEBNEYGDSA-N 1 3 320.437 -0.123 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000584411435 337321335 /nfs/dbraw/zinc/32/13/35/337321335.db2.gz YVMZDKZNZVCUFY-ABAIWWIYSA-N 1 3 319.409 -0.064 20 0 DBADHO C[C@H](CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)C1CC[NH2+]CC1 ZINC000584480400 337348657 /nfs/dbraw/zinc/34/86/57/337348657.db2.gz ACXIBJGKFPTDEF-BNOWGMLFSA-N 1 3 308.426 -0.217 20 0 DBADHO CO[C@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)C1 ZINC000571885466 337580900 /nfs/dbraw/zinc/58/09/00/337580900.db2.gz OEYQQUOWBQTQGW-BZUAXINKSA-N 1 3 324.469 -0.010 20 0 DBADHO O=C(N[C@H]1CNCCC1(F)F)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000572104813 337590948 /nfs/dbraw/zinc/59/09/48/337590948.db2.gz QTVACRGAONWUSE-NEPJUHHUSA-N 1 3 317.384 -0.327 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566237993 341551574 /nfs/dbraw/zinc/55/15/74/341551574.db2.gz YOWAMLNIOJHKMG-NWDGAFQWSA-N 1 3 302.419 -0.735 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)COC2CC[NH2+]CC2)CC1 ZINC000566296274 341553249 /nfs/dbraw/zinc/55/32/49/341553249.db2.gz AJMPTSRJUBLQBR-CQSZACIVSA-N 1 3 312.458 -0.103 20 0 DBADHO Cc1ccc(NC(=O)C(=O)NC2C[NH2+]C2)c(OCCN(C)C)c1 ZINC000568728400 341679810 /nfs/dbraw/zinc/67/98/10/341679810.db2.gz YMIFHOZHZLDOHJ-UHFFFAOYSA-N 1 3 320.393 -0.038 20 0 DBADHO N[C@@H]1C[C@H]2CN(C(=O)N[C@@H](C[NH3+])C3CCCC3)CCN2C1=O ZINC000574651265 341764886 /nfs/dbraw/zinc/76/48/86/341764886.db2.gz DRMKHLAYBYUVBP-XQQFMLRXSA-N 1 3 309.414 -0.543 20 0 DBADHO NC1(C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCC1 ZINC000580557899 341876484 /nfs/dbraw/zinc/87/64/84/341876484.db2.gz MFBYJIXYHZUTNF-QWHCGFSZSA-N 1 3 308.426 -0.025 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000577852002 341943229 /nfs/dbraw/zinc/94/32/29/341943229.db2.gz SNXNYEUUQSTIKZ-ZFWWWQNUSA-N 1 3 310.442 -0.066 20 0 DBADHO C[C@@H](C[NH3+])CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000418467341 533761413 /nfs/dbraw/zinc/76/14/13/533761413.db2.gz IEHGEJOEOUACIZ-STQMWFEESA-N 1 3 311.430 -0.471 20 0 DBADHO C[C@H](C[NH3+])CNC(=O)NCC(=O)NCCN1CCCCCC1 ZINC000418500818 534040970 /nfs/dbraw/zinc/04/09/70/534040970.db2.gz ZLWLPUGJBMXCNS-CYBMUJFWSA-N 1 3 313.446 -0.127 20 0 DBADHO CCN1CCC[C@@H]1CN(C)C(=O)C(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000331444004 521626918 /nfs/dbraw/zinc/62/69/18/521626918.db2.gz IKEMXKRQKDFTOM-RBSFLKMASA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CN2CCC1CC2 ZINC000346960560 521766566 /nfs/dbraw/zinc/76/65/66/521766566.db2.gz FKRZTVLHJOODBF-GJZGRUSLSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(C(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1)[C@H]1CCCN(C)C1 ZINC000346377874 521768923 /nfs/dbraw/zinc/76/89/23/521768923.db2.gz RATRAKUAEBIYAC-KBPBESRZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[NH+](C)CCN1C[C@H](C(=O)N2CCN3CCC2CC3)CC1=O ZINC000365033778 521771722 /nfs/dbraw/zinc/77/17/22/521771722.db2.gz RDZRJMGMNALSBX-CYBMUJFWSA-N 1 3 308.426 -0.297 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1=O ZINC000346303179 521772899 /nfs/dbraw/zinc/77/28/99/521772899.db2.gz WSQCGJSPJAOADA-WMLDXEAASA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)CC1=O ZINC000346303179 521772907 /nfs/dbraw/zinc/77/29/07/521772907.db2.gz WSQCGJSPJAOADA-WMLDXEAASA-N 1 3 322.453 -0.049 20 0 DBADHO CN(C)[C@@H]1CCCN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000332626469 522032945 /nfs/dbraw/zinc/03/29/45/522032945.db2.gz CWPOICBDVUDZMK-MELADBBJSA-N 1 3 308.426 -0.393 20 0 DBADHO COCCn1cc(CN2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000347007964 522086219 /nfs/dbraw/zinc/08/62/19/522086219.db2.gz DSQVYOULVBMZFQ-AWEZNQCLSA-N 1 3 309.414 -0.184 20 0 DBADHO C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CNCCO2)CCSC1 ZINC000333406805 522110923 /nfs/dbraw/zinc/11/09/23/522110923.db2.gz QSICNHDKVMIGOG-YPMHNXCESA-N 1 3 302.444 -0.289 20 0 DBADHO CN1CCOC[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000344644209 523767126 /nfs/dbraw/zinc/76/71/26/523767126.db2.gz WXPOVYCLKDPUAN-INIZCTEOSA-N 1 3 324.469 -0.008 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333742721 523845258 /nfs/dbraw/zinc/84/52/58/523845258.db2.gz XUMUUDXBPJKQGY-KGLIPLIRSA-N 1 3 323.441 -0.314 20 0 DBADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)C1 ZINC000347076813 523867127 /nfs/dbraw/zinc/86/71/27/523867127.db2.gz VVBLBFOJOBMBTP-ZIAGYGMSSA-N 1 3 314.430 -0.273 20 0 DBADHO COCCN1CC[C@@H](NC(=O)N[C@@H]2CC[N@@H+](CCOC)C2)C1 ZINC000347076813 523867136 /nfs/dbraw/zinc/86/71/36/523867136.db2.gz VVBLBFOJOBMBTP-ZIAGYGMSSA-N 1 3 314.430 -0.273 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1N(C)C ZINC000332253010 524741353 /nfs/dbraw/zinc/74/13/53/524741353.db2.gz SVNMYZHPYZMGNG-MQYQWHSLSA-N 1 3 308.426 -0.537 20 0 DBADHO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)C[C@@H]1N(C)C ZINC000331744149 524742663 /nfs/dbraw/zinc/74/26/63/524742663.db2.gz CBYNCPKEWAXOCN-QTVXIADOSA-N 1 3 322.453 -0.019 20 0 DBADHO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN3CCC[C@@H]3C2)CC1 ZINC000332621868 524823334 /nfs/dbraw/zinc/82/33/34/524823334.db2.gz HWZRNWRZTPZQKS-GXTWGEPZSA-N 1 3 308.426 -0.121 20 0 DBADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1[nH]nc2c1CNCC2 ZINC000364219304 526552778 /nfs/dbraw/zinc/55/27/78/526552778.db2.gz VUZQICQYOZKIFU-GHMZBOCLSA-N 1 3 305.382 -0.352 20 0 DBADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1[nH]nc2c1CNCC2 ZINC000364219304 526552783 /nfs/dbraw/zinc/55/27/83/526552783.db2.gz VUZQICQYOZKIFU-GHMZBOCLSA-N 1 3 305.382 -0.352 20 0 DBADHO CC(C)C[C@H](NC(=O)N[C@@H](C)C[NH3+])C(=O)NCCN(C)C ZINC000418620679 528565973 /nfs/dbraw/zinc/56/59/73/528565973.db2.gz QUOKAURXIKFXAU-RYUDHWBXSA-N 1 3 301.435 -0.275 20 0 DBADHO CC(C)[NH+]1CCC(O)(CNC(=O)[C@H]2CN3CCN2CCC3)CC1 ZINC000408033454 535163661 /nfs/dbraw/zinc/16/36/61/535163661.db2.gz MBCRGTFSOAGMPQ-OAHLLOKOSA-N 1 3 324.469 -0.272 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1=O ZINC000342713967 535881510 /nfs/dbraw/zinc/88/15/10/535881510.db2.gz OHMWYFXKVFSTRK-CZUORRHYSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1=O ZINC000342713966 535881725 /nfs/dbraw/zinc/88/17/25/535881725.db2.gz OHMWYFXKVFSTRK-CJNGLKHVSA-N 1 3 310.442 -0.098 20 0 DBADHO CN(CCn1cncn1)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000980391980 665757044 /nfs/dbraw/zinc/75/70/44/665757044.db2.gz URXCUOBSCWMBOG-UONOGXRCSA-N 1 3 306.414 -0.238 20 0 DBADHO 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ZINC001024561691 664898707 /nfs/dbraw/zinc/89/87/07/664898707.db2.gz VQYPCFHZCDOILP-DGNOSDGRSA-N 1 3 323.437 -0.187 20 0 DBADHO O=C(NC[C@H]1CCCCN1CCO)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001024561691 664898709 /nfs/dbraw/zinc/89/87/09/664898709.db2.gz VQYPCFHZCDOILP-DGNOSDGRSA-N 1 3 323.437 -0.187 20 0 DBADHO COCCN(C)CCN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000924566802 664927194 /nfs/dbraw/zinc/92/71/94/664927194.db2.gz DMSNOOWZJYCODW-CYBMUJFWSA-N 1 3 312.414 -0.029 20 0 DBADHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000973102561 664987191 /nfs/dbraw/zinc/98/71/91/664987191.db2.gz DLGZTDHYRYXBPB-XUXIUFHCSA-N 1 3 308.426 -0.062 20 0 DBADHO CN1CCC[C@H]1C(=O)N[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000973102561 664987196 /nfs/dbraw/zinc/98/71/96/664987196.db2.gz DLGZTDHYRYXBPB-XUXIUFHCSA-N 1 3 308.426 -0.062 20 0 DBADHO CCO[C@H](CNC(=O)NC[C@H]1C[C@@H](O)CN1C)C[NH+](C)C ZINC000926849452 665067327 /nfs/dbraw/zinc/06/73/27/665067327.db2.gz LWNRATQDJXIMHB-JHJVBQTASA-N 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COCCCN(C)CCNC(=O)C(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000911177464 674687903 /nfs/dbraw/zinc/68/79/03/674687903.db2.gz RZOLQXSPAFKUJP-LBPRGKRZSA-N 1 3 314.430 -0.815 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000911176917 674688049 /nfs/dbraw/zinc/68/80/49/674688049.db2.gz QKOMLLXMSXNQKN-GFCCVEGCSA-N 1 3 314.430 -0.733 20 0 DBADHO COCCCN(C)CCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911177807 674688074 /nfs/dbraw/zinc/68/80/74/674688074.db2.gz WYCRROCBZSZTQS-OLZOCXBDSA-N 1 3 314.430 -0.686 20 0 DBADHO C[C@H](NC(=O)C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C1=CCN(C)CC1 ZINC000911218890 674691387 /nfs/dbraw/zinc/69/13/87/674691387.db2.gz MBQVRBFPFQKSSR-AEGPPILISA-N 1 3 320.437 -0.179 20 0 DBADHO O=C(NC1CCC([NH2+]CCO)CC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001026531155 665204617 /nfs/dbraw/zinc/20/46/17/665204617.db2.gz VHWRDTQMYDYUHW-RDVIWEACSA-N 1 3 323.437 -0.141 20 0 DBADHO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCN2C)C1 ZINC001026734718 665219808 /nfs/dbraw/zinc/21/98/08/665219808.db2.gz SAYZYTRLYQYTBP-OCCSQVGLSA-N 1 3 306.414 -0.153 20 0 DBADHO Cn1nncc1C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001026734719 665220026 /nfs/dbraw/zinc/22/00/26/665220026.db2.gz SAYZYTRLYQYTBP-TZMCWYRMSA-N 1 3 306.414 -0.153 20 0 DBADHO [NH3+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)C(=O)N[C@H]1CCN(CC3CC3)C1)C2 ZINC000911224428 674694980 /nfs/dbraw/zinc/69/49/80/674694980.db2.gz YDLADMSEROTPGH-AJNGGQMLSA-N 1 3 320.437 -0.075 20 0 DBADHO O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000911223670 674695077 /nfs/dbraw/zinc/69/50/77/674695077.db2.gz RCLJNVCPBBGMRC-YOEHRIQHSA-N 1 3 320.437 -0.059 20 0 DBADHO [NH3+]CC[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000911223605 674695306 /nfs/dbraw/zinc/69/53/06/674695306.db2.gz PZKJMYWAPRDJLY-UONOGXRCSA-N 1 3 308.426 -0.216 20 0 DBADHO CN1CC[C@@H]([NH2+]C[C@@H]2CCN(C(=O)Cc3c[nH]cn3)C2)C1=O ZINC001027091302 665269434 /nfs/dbraw/zinc/26/94/34/665269434.db2.gz JJLCTZMCFPKEBX-WCQYABFASA-N 1 3 305.382 -0.379 20 0 DBADHO Cn1cc(CNC[C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001027173686 665283683 /nfs/dbraw/zinc/28/36/83/665283683.db2.gz SXZXIGVUTBYGSW-ZDUSSCGKSA-N 1 3 318.425 -0.151 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H](C[NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001027217710 665307786 /nfs/dbraw/zinc/30/77/86/665307786.db2.gz PADWVRWUMWRWBM-QWHCGFSZSA-N 1 3 322.409 -0.675 20 0 DBADHO CC1(C)CCN(CCNC(=O)C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000911307349 674704046 /nfs/dbraw/zinc/70/40/46/674704046.db2.gz VMVXORNCOLGVTA-UHFFFAOYSA-N 1 3 308.426 -0.130 20 0 DBADHO CCCN1CC[C@@H](NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)C1 ZINC000911336712 674707751 /nfs/dbraw/zinc/70/77/51/674707751.db2.gz LQYQXONJQYTKOW-CJNGLKHVSA-N 1 3 308.426 -0.059 20 0 DBADHO C[C@@H]1C[NH2+]C[C@H]1CCNC(=O)C(=O)N(C)CCN(C)C1CC1 ZINC000911388398 674713895 /nfs/dbraw/zinc/71/38/95/674713895.db2.gz JRYSVNCXFNACTK-CHWSQXEVSA-N 1 3 310.442 -0.099 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@H]3CC[C@@]32C[NH3+])C1 ZINC000911338106 674710868 /nfs/dbraw/zinc/71/08/68/674710868.db2.gz XWUVKTWADQATMN-DVOMOZLQSA-N 1 3 308.426 -0.073 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911493677 674731426 /nfs/dbraw/zinc/73/14/26/674731426.db2.gz KXJJCLPZSYFHJM-OLZOCXBDSA-N 1 3 314.430 -0.733 20 0 DBADHO CC1(C)C[NH2+]C[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000911519793 674735665 /nfs/dbraw/zinc/73/56/65/674735665.db2.gz KMUMTCADKJARFN-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO CC1(C)CCN(CCNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000911534606 674733746 /nfs/dbraw/zinc/73/37/46/674733746.db2.gz VLUMTASGDOMCKJ-GFCCVEGCSA-N 1 3 312.414 -0.979 20 0 DBADHO CN1CCN(C(=O)c2cccc3c2OCCNC3)[C@@H](C[NH3+])C1 ZINC000911879789 674750392 /nfs/dbraw/zinc/75/03/92/674750392.db2.gz PTGZJTWTQGZPFQ-ZDUSSCGKSA-N 1 3 304.394 -0.117 20 0 DBADHO C[NH+](C)CCN1C[C@@H](C(=O)N[C@@]2(C)CN3CCC2CC3)CC1=O ZINC000912376959 674767015 /nfs/dbraw/zinc/76/70/15/674767015.db2.gz BKQGNDMSURMIBO-GUYCJALGSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000991727689 674883205 /nfs/dbraw/zinc/88/32/05/674883205.db2.gz LNDPMEILECFJJQ-JSGCOSHPSA-N 1 3 308.426 -0.395 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC000991727689 674883208 /nfs/dbraw/zinc/88/32/08/674883208.db2.gz LNDPMEILECFJJQ-JSGCOSHPSA-N 1 3 308.426 -0.395 20 0 DBADHO O=C(CN1CCCC1)N1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000991894557 674916308 /nfs/dbraw/zinc/91/63/08/674916308.db2.gz PHVCWWSQNQPRQI-HNNXBMFYSA-N 1 3 320.437 -0.249 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000953906758 674929044 /nfs/dbraw/zinc/92/90/44/674929044.db2.gz LUKJAFMXGLAJLF-JSGCOSHPSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000953906758 674929045 /nfs/dbraw/zinc/92/90/45/674929045.db2.gz LUKJAFMXGLAJLF-JSGCOSHPSA-N 1 3 308.426 -0.299 20 0 DBADHO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)C[C@@]12CCN(C1)CCC2 ZINC000914284711 675030230 /nfs/dbraw/zinc/03/02/30/675030230.db2.gz JHMRBCRSMXQMBS-KBPBESRZSA-N 1 3 319.471 -0.296 20 0 DBADHO CN1CC[C@@H](N2CC[C@H](CNC(=O)C34CC[NH+](CC3)C4)C2)C1=O ZINC001028931232 671106525 /nfs/dbraw/zinc/10/65/25/671106525.db2.gz NKFUBJVDQRMDHK-ZIAGYGMSSA-N 1 3 320.437 -0.249 20 0 DBADHO CC(C)N1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CCO)C1 ZINC001029439150 671355807 /nfs/dbraw/zinc/35/58/07/671355807.db2.gz XLSMJHHTMIJTTP-ZNMIVQPWSA-N 1 3 311.426 -0.237 20 0 DBADHO CC(C)N1CCO[C@H](C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)C1 ZINC001029439150 671355814 /nfs/dbraw/zinc/35/58/14/671355814.db2.gz XLSMJHHTMIJTTP-ZNMIVQPWSA-N 1 3 311.426 -0.237 20 0 DBADHO CN(CC(N)=O)C1CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442501 671483623 /nfs/dbraw/zinc/48/36/23/671483623.db2.gz GZIWXRCWQJMOTF-KGLIPLIRSA-N 1 3 324.425 -0.742 20 0 DBADHO CN(CC(N)=O)C1CCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000985442501 671483626 /nfs/dbraw/zinc/48/36/26/671483626.db2.gz GZIWXRCWQJMOTF-KGLIPLIRSA-N 1 3 324.425 -0.742 20 0 DBADHO C[C@@H](C[N@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N[C@@H](C)C1 ZINC000665763910 671483678 /nfs/dbraw/zinc/48/36/78/671483678.db2.gz ONHQYNJIBMQRIP-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@@H](C[N@@H+](C)CCCN(C)C)NC(=O)N1CC(=O)N[C@@H](C)C1 ZINC000665763910 671483684 /nfs/dbraw/zinc/48/36/84/671483684.db2.gz ONHQYNJIBMQRIP-STQMWFEESA-N 1 3 313.446 -0.212 20 0 DBADHO C[C@H](C(N)=O)N(C)C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000985756991 671524758 /nfs/dbraw/zinc/52/47/58/671524758.db2.gz XJZSZKSBNHAPLQ-GFCCVEGCSA-N 1 3 308.426 -0.121 20 0 DBADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000985794154 671528071 /nfs/dbraw/zinc/52/80/71/671528071.db2.gz ZQCBYOROGPSBGN-GXTWGEPZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN([C@@H]1CCNC1=O)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000985794154 671528072 /nfs/dbraw/zinc/52/80/72/671528072.db2.gz ZQCBYOROGPSBGN-GXTWGEPZSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)Cc1c[nH]cn1 ZINC000987066600 671643410 /nfs/dbraw/zinc/64/34/10/671643410.db2.gz KRKSTDGCTWPZBW-YPMHNXCESA-N 1 3 320.397 -0.444 20 0 DBADHO C[C@@H]1[C@@H]([NH2+]CCN2CCNC2=O)CCN1C(=O)CN1CCCC1 ZINC000987526046 671696030 /nfs/dbraw/zinc/69/60/30/671696030.db2.gz QLVMQKWWSWJJLH-KGLIPLIRSA-N 1 3 323.441 -0.314 20 0 DBADHO C[C@H]1[C@@H]([NH2+]CC(=O)N2CCC2)CCN1C(=O)CN1CCCC1 ZINC000987521218 671697175 /nfs/dbraw/zinc/69/71/75/671697175.db2.gz YVZYXMVKKWGFHR-KBPBESRZSA-N 1 3 308.426 -0.107 20 0 DBADHO O=C(N[C@H](CO)CN1CCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000897765669 672510100 /nfs/dbraw/zinc/51/01/00/672510100.db2.gz JVOIWJLLQXLOJF-AWEZNQCLSA-N 1 3 311.426 -0.330 20 0 DBADHO C[C@H]1C[C@H]([NH2+]CCN2CCNC2=O)CN1C(=O)Cc1c[nH]cn1 ZINC000989493444 672555153 /nfs/dbraw/zinc/55/51/53/672555153.db2.gz UKOOTUIRJCSGPI-AAEUAGOBSA-N 1 3 320.397 -0.444 20 0 DBADHO C[C@H]1C[C@@H]([NH2+]CCN2CCNC2=O)CN1C(=O)CN1CCCC1 ZINC000989799226 672602975 /nfs/dbraw/zinc/60/29/75/672602975.db2.gz JZJCGUCKSGLOCM-UONOGXRCSA-N 1 3 323.441 -0.314 20 0 DBADHO C[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)CN1C(=O)CN1CCCC1 ZINC000989798510 672603481 /nfs/dbraw/zinc/60/34/81/672603481.db2.gz AXSAZDMUFLAOQG-UONOGXRCSA-N 1 3 308.426 -0.107 20 0 DBADHO CN1CC[C@H]([NH2+]C2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000990275892 672712487 /nfs/dbraw/zinc/71/24/87/672712487.db2.gz DCSJXQKPVTVTRJ-UONOGXRCSA-N 1 3 308.426 -0.108 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000990278303 672714161 /nfs/dbraw/zinc/71/41/61/672714161.db2.gz POTVVVZONHSXEL-UONOGXRCSA-N 1 3 308.426 -0.060 20 0 DBADHO CCO[C@@H](CNC(=O)N[C@@H]1CCN(CCOC)C1)C[NH+](C)C ZINC000919634226 677478056 /nfs/dbraw/zinc/47/80/56/677478056.db2.gz GYEAYNYEBGWNQT-KGLIPLIRSA-N 1 3 316.446 -0.027 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000938536357 677536031 /nfs/dbraw/zinc/53/60/31/677536031.db2.gz BIRRQDPFJJEDRR-OCCSQVGLSA-N 1 3 319.409 -0.037 20 0 DBADHO CN(C(=O)Cc1c[nH]cn1)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000938536357 677536032 /nfs/dbraw/zinc/53/60/32/677536032.db2.gz BIRRQDPFJJEDRR-OCCSQVGLSA-N 1 3 319.409 -0.037 20 0 DBADHO CO[C@@H](C)CN1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031857041 677637997 /nfs/dbraw/zinc/63/79/97/677637997.db2.gz PKLCGMYGWMSSFU-KKVZTGDRSA-N 1 3 323.437 -0.068 20 0 DBADHO CO[C@@H](C)CN1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031857041 677637999 /nfs/dbraw/zinc/63/79/99/677637999.db2.gz PKLCGMYGWMSSFU-KKVZTGDRSA-N 1 3 323.437 -0.068 20 0 DBADHO CC[C@@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1)N(C)C ZINC000996437076 678247887 /nfs/dbraw/zinc/24/78/87/678247887.db2.gz SSBMBRSPOBLREM-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@@H](C(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1)N(C)C ZINC000996437076 678247890 /nfs/dbraw/zinc/24/78/90/678247890.db2.gz SSBMBRSPOBLREM-OCCSQVGLSA-N 1 3 310.442 -0.005 20 0 DBADHO O=C(CN1CCCC1)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000996474113 678250478 /nfs/dbraw/zinc/25/04/78/678250478.db2.gz CWYZJCBZOQITQT-UHFFFAOYSA-N 1 3 306.410 -0.495 20 0 DBADHO CN(CC(=O)N1CC(NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC000996473911 678250909 /nfs/dbraw/zinc/25/09/09/678250909.db2.gz AHOWRLAUHRDHCQ-UHFFFAOYSA-N 1 3 320.437 -0.107 20 0 DBADHO CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1N[C@H]1CCNC1=O ZINC000996522701 678259667 /nfs/dbraw/zinc/25/96/67/678259667.db2.gz YZJUFPMJOPITGE-QWHCGFSZSA-N 1 3 320.437 -0.203 20 0 DBADHO C[N@@H+]1CCCN(CCCNC(=O)CCN2CCOCC2)CC1 ZINC000733978406 678268986 /nfs/dbraw/zinc/26/89/86/678268986.db2.gz AIIGPEXZLSDUQR-UHFFFAOYSA-N 1 3 312.458 -0.148 20 0 DBADHO C[N@H+]1CCCN(CCCNC(=O)CCN2CCOCC2)CC1 ZINC000733978406 678268988 /nfs/dbraw/zinc/26/89/88/678268988.db2.gz AIIGPEXZLSDUQR-UHFFFAOYSA-N 1 3 312.458 -0.148 20 0 DBADHO CN1CCC[N@H+](CCCNC(=O)CCN2CCOCC2)CC1 ZINC000733978406 678268994 /nfs/dbraw/zinc/26/89/94/678268994.db2.gz AIIGPEXZLSDUQR-UHFFFAOYSA-N 1 3 312.458 -0.148 20 0 DBADHO CN1CCC[N@@H+](CCCNC(=O)CCN2CCOCC2)CC1 ZINC000733978406 678268998 /nfs/dbraw/zinc/26/89/98/678268998.db2.gz AIIGPEXZLSDUQR-UHFFFAOYSA-N 1 3 312.458 -0.148 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000996996321 678354800 /nfs/dbraw/zinc/35/48/00/678354800.db2.gz XXGXUICQSAADOK-TZMCWYRMSA-N 1 3 308.426 -0.060 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000997242643 678422281 /nfs/dbraw/zinc/42/22/81/678422281.db2.gz LZFGROOWZPGGFK-DGCLKSJQSA-N 1 3 319.409 -0.072 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC000997242643 678422284 /nfs/dbraw/zinc/42/22/84/678422284.db2.gz LZFGROOWZPGGFK-DGCLKSJQSA-N 1 3 319.409 -0.072 20 0 DBADHO O=C(CN1CCCC1)N1CCC(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000998270647 678580571 /nfs/dbraw/zinc/58/05/71/678580571.db2.gz WZDARRYLUJQSIZ-AWEZNQCLSA-N 1 3 308.426 -0.201 20 0 DBADHO CN(C(=O)[C@@H]1CCCN1C)C1CC([NH2+]CCn2cncn2)C1 ZINC000998549108 678613851 /nfs/dbraw/zinc/61/38/51/678613851.db2.gz KHLUZIAQEYDYMX-RUXDESIVSA-N 1 3 306.414 -0.049 20 0 DBADHO O=C([C@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999759405 678739612 /nfs/dbraw/zinc/73/96/12/678739612.db2.gz BSHQPPOVCVAPQD-IOSBVQAASA-N 1 3 309.410 -0.578 20 0 DBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999759409 678739926 /nfs/dbraw/zinc/73/99/26/678739926.db2.gz BSHQPPOVCVAPQD-IQXANGCESA-N 1 3 309.410 -0.578 20 0 DBADHO O=C([C@@H]1CN2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999759421 678740008 /nfs/dbraw/zinc/74/00/08/678740008.db2.gz BSHQPPOVCVAPQD-WJEHIRDRSA-N 1 3 309.410 -0.578 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999837670 678746868 /nfs/dbraw/zinc/74/68/68/678746868.db2.gz QPOFBGIZBXEMHP-PNESKVBLSA-N 1 3 306.414 -0.154 20 0 DBADHO CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC(NCc2cnnn2C)C1 ZINC000999837670 678746870 /nfs/dbraw/zinc/74/68/70/678746870.db2.gz QPOFBGIZBXEMHP-PNESKVBLSA-N 1 3 306.414 -0.154 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999850752 678749951 /nfs/dbraw/zinc/74/99/51/678749951.db2.gz GQFHJGDYQCRDCI-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000999850752 678749952 /nfs/dbraw/zinc/74/99/52/678749952.db2.gz GQFHJGDYQCRDCI-OLZOCXBDSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999850753 678750370 /nfs/dbraw/zinc/75/03/70/678750370.db2.gz GQFHJGDYQCRDCI-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO C[C@H]1CCCN1CC(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000999850753 678750372 /nfs/dbraw/zinc/75/03/72/678750372.db2.gz GQFHJGDYQCRDCI-QWHCGFSZSA-N 1 3 308.426 -0.251 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1)N(C)C ZINC000999862514 678759341 /nfs/dbraw/zinc/75/93/41/678759341.db2.gz FMBLKZKDQLVAHJ-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)N1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1)N(C)C ZINC000999862514 678759349 /nfs/dbraw/zinc/75/93/49/678759349.db2.gz FMBLKZKDQLVAHJ-GXTWGEPZSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CCN(CC(=O)NC2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)C1 ZINC000999873099 678762529 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[NH3+]CC1(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000846332375 805751193 /nfs/dbraw/zinc/75/11/93/805751193.db2.gz YFVONBRIMHOKFL-STQMWFEESA-N 1 3 324.425 -0.789 20 0 DBADHO COCCN1[C@H](C)CN(C[C@@H](O)C[N@H+](C)CCOC)C[C@@H]1C ZINC000847010920 805783132 /nfs/dbraw/zinc/78/31/32/805783132.db2.gz NOASKYXFEGKOGP-XHSDSOJGSA-N 1 3 317.474 -0.034 20 0 DBADHO COCCN1[C@H](C)CN(C[C@@H](O)C[N@@H+](C)CCOC)C[C@@H]1C ZINC000847010920 805783136 /nfs/dbraw/zinc/78/31/36/805783136.db2.gz NOASKYXFEGKOGP-XHSDSOJGSA-N 1 3 317.474 -0.034 20 0 DBADHO O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847311573 805791536 /nfs/dbraw/zinc/79/15/36/805791536.db2.gz GWCAETLWYOQFSR-LXTVHRRPSA-N 1 3 324.425 -0.690 20 0 DBADHO O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC000847311573 805791543 /nfs/dbraw/zinc/79/15/43/805791543.db2.gz GWCAETLWYOQFSR-LXTVHRRPSA-N 1 3 324.425 -0.690 20 0 DBADHO CCN1CCC[C@@H]1CNC(=[NH2+])NCCCCS(N)(=O)=O ZINC000849031410 805855875 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O=C1OC[C@@H]2CN(C/C=C\C[N@@H+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860164220 806220395 /nfs/dbraw/zinc/22/03/95/806220395.db2.gz FVHZDQHOYKESPM-ZWTHYHLESA-N 1 3 306.362 -0.248 20 0 DBADHO O=C1OC[C@@H]2CN(C/C=C\C[N@H+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860164220 806220401 /nfs/dbraw/zinc/22/04/01/806220401.db2.gz FVHZDQHOYKESPM-ZWTHYHLESA-N 1 3 306.362 -0.248 20 0 DBADHO [NH3+]C1(CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCOCC1 ZINC000861573683 806275381 /nfs/dbraw/zinc/27/53/81/806275381.db2.gz JPWOXKBAXDSRLU-OLZOCXBDSA-N 1 3 312.414 -0.343 20 0 DBADHO CN(CCOCC[NH3+])C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000861573533 806275729 /nfs/dbraw/zinc/27/57/29/806275729.db2.gz IHPFLZBLNJDZNE-STQMWFEESA-N 1 3 300.403 -0.534 20 0 DBADHO C[C@@H]([NH3+])CN(C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000861569770 806275988 /nfs/dbraw/zinc/27/59/88/806275988.db2.gz DPUGDYPUEGYNPV-CHWSQXEVSA-N 1 3 313.446 -0.082 20 0 DBADHO CN1CCC[C@H]1CNC(=O)C(F)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000865809601 806425581 /nfs/dbraw/zinc/42/55/81/806425581.db2.gz ZASSNUOXJYKTRK-RYUDHWBXSA-N 1 3 314.405 -0.255 20 0 DBADHO CN1CCC[C@H]1CNC(=O)C(F)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000865809601 806425589 /nfs/dbraw/zinc/42/55/89/806425589.db2.gz ZASSNUOXJYKTRK-RYUDHWBXSA-N 1 3 314.405 -0.255 20 0 DBADHO CN1CCC[C@@H]1CNC(=O)C(F)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000865809602 806425706 /nfs/dbraw/zinc/42/57/06/806425706.db2.gz ZASSNUOXJYKTRK-VXGBXAGGSA-N 1 3 314.405 -0.255 20 0 DBADHO CN1CCC[C@@H]1CNC(=O)C(F)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000865809602 806425709 /nfs/dbraw/zinc/42/57/09/806425709.db2.gz ZASSNUOXJYKTRK-VXGBXAGGSA-N 1 3 314.405 -0.255 20 0 DBADHO CC(C)(C(=O)NC[C@@H](O)C[NH2+]CCn1cncn1)N1CCCC1 ZINC001320259133 806464388 /nfs/dbraw/zinc/46/43/88/806464388.db2.gz PIWNMSCPBYRHAX-ZDUSSCGKSA-N 1 3 324.429 -0.781 20 0 DBADHO CCN(CCNCC(=O)NC(N)=O)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320900735 806540134 /nfs/dbraw/zinc/54/01/34/806540134.db2.gz FGYUAFQCWKHJMI-LBPRGKRZSA-N 1 3 315.418 -0.794 20 0 DBADHO CN(C)C[C@@H]1CN(C(=O)C2CS(=O)(=O)C2)C[C@H]1C[NH+](C)C ZINC000870017028 806589317 /nfs/dbraw/zinc/58/93/17/806589317.db2.gz FUVRFBBRSWYURA-VXGBXAGGSA-N 1 3 317.455 -0.771 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)CCC12CC(C1)C[NH2+]2 ZINC000870953964 806613593 /nfs/dbraw/zinc/61/35/93/806613593.db2.gz VYGBBEVMZBWGAB-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000870998609 806615447 /nfs/dbraw/zinc/61/54/47/806615447.db2.gz FJKYJXDDXCDBQQ-XQQFMLRXSA-N 1 3 310.398 -0.278 20 0 DBADHO [NH3+]C[C@H]1CN(CCC(=O)N2CCNCC2)C[C@H]1C(F)(F)F ZINC000872150543 806645794 /nfs/dbraw/zinc/64/57/94/806645794.db2.gz FLLSDFTZWHUYKM-WDEREUQCSA-N 1 3 308.348 -0.123 20 0 DBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000875236898 806739684 /nfs/dbraw/zinc/73/96/84/806739684.db2.gz GKLYAAQOOFDRPF-IHRRRGAJSA-N 1 3 312.414 -0.785 20 0 DBADHO O=C(NCCN1CC[C@H](O)C1)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000875236898 806739690 /nfs/dbraw/zinc/73/96/90/806739690.db2.gz GKLYAAQOOFDRPF-IHRRRGAJSA-N 1 3 312.414 -0.785 20 0 DBADHO Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CNCCO1 ZINC000876916509 806814148 /nfs/dbraw/zinc/81/41/48/806814148.db2.gz BYDRVAKKPAYVGR-QWHCGFSZSA-N 1 3 307.398 -0.166 20 0 DBADHO COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)CN(C)C ZINC000877132708 806823975 /nfs/dbraw/zinc/82/39/75/806823975.db2.gz LITKUWZGVXYIJO-AWEZNQCLSA-N 1 3 300.447 -0.308 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1=O ZINC000877281506 806830788 /nfs/dbraw/zinc/83/07/88/806830788.db2.gz HNZKLJSOXJLFSO-RDBSUJKOSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1=O ZINC000877375439 806835520 /nfs/dbraw/zinc/83/55/20/806835520.db2.gz XUQHSFHQXJRAPB-DVOMOZLQSA-N 1 3 308.426 -0.536 20 0 DBADHO CN(C)CCN1C[C@H](C(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1=O ZINC000877392544 806836136 /nfs/dbraw/zinc/83/61/36/806836136.db2.gz SGHVPGCVZFIVLE-XJKCOSOUSA-N 1 3 308.426 -0.203 20 0 DBADHO CCN1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nnn(C)n1 ZINC000878589319 806862021 /nfs/dbraw/zinc/86/20/21/806862021.db2.gz JYMVQARUAFTTOR-GFCCVEGCSA-N 1 3 309.418 -0.302 20 0 DBADHO CCN1CC[C@H]2OCCN(CC(=O)NC3CC[NH+](C)CC3)[C@H]2C1 ZINC000878653295 806865638 /nfs/dbraw/zinc/86/56/38/806865638.db2.gz DNPSJLUOWOMJGI-JKSUJKDBSA-N 1 3 324.469 -0.008 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584292 806932407 /nfs/dbraw/zinc/93/24/07/806932407.db2.gz HSSXKVCLCILILV-GJZGRUSLSA-N 1 3 316.442 -0.211 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880584292 806932411 /nfs/dbraw/zinc/93/24/11/806932411.db2.gz HSSXKVCLCILILV-GJZGRUSLSA-N 1 3 316.442 -0.211 20 0 DBADHO COCC[N@H+](C)C[C@H](O)CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584288 806932798 /nfs/dbraw/zinc/93/27/98/806932798.db2.gz HSSXKVCLCILILV-CABCVRRESA-N 1 3 316.442 -0.211 20 0 DBADHO COCC[N@@H+](C)C[C@H](O)CN1C[C@H](O)CC2(CCOCC2)C1 ZINC000880584288 806932799 /nfs/dbraw/zinc/93/27/99/806932799.db2.gz HSSXKVCLCILILV-CABCVRRESA-N 1 3 316.442 -0.211 20 0 DBADHO CCCN1CCC(N(C)S(=O)(=O)N2CC[NH2+]CC2)CC1 ZINC000040862225 803761660 /nfs/dbraw/zinc/76/16/60/803761660.db2.gz RTYAJYXLDJIFLI-UHFFFAOYSA-N 1 3 304.460 -0.057 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)N(CCO)CC[NH2+]C[C@@H](C)O ZINC001279710700 803913658 /nfs/dbraw/zinc/91/36/58/803913658.db2.gz BBAOPOZVHNGVEG-ZIAGYGMSSA-N 1 3 301.431 -0.350 20 0 DBADHO CNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)CN2CC[C@H](C)C2)C1 ZINC001280197447 803940532 /nfs/dbraw/zinc/94/05/32/803940532.db2.gz IAXVSOATOCGMPQ-KBPBESRZSA-N 1 3 310.442 -0.098 20 0 DBADHO CC(C)[C@@H](C(=O)N1CCO[C@H](C[NH2+]CCCO)C1)N(C)C ZINC001280593437 803987098 /nfs/dbraw/zinc/98/70/98/803987098.db2.gz BFWQKGZWUSFAOD-KGLIPLIRSA-N 1 3 301.431 -0.228 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000764065098 804278780 /nfs/dbraw/zinc/27/87/80/804278780.db2.gz YGBAZNWJYMPZQI-ZNMIVQPWSA-N 1 3 308.426 -0.644 20 0 DBADHO O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000764065098 804278791 /nfs/dbraw/zinc/27/87/91/804278791.db2.gz YGBAZNWJYMPZQI-ZNMIVQPWSA-N 1 3 308.426 -0.644 20 0 DBADHO O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC2(CN(CCO)C2)CC1 ZINC001035709435 815017195 /nfs/dbraw/zinc/01/71/95/815017195.db2.gz FPTVVTJZLRRIPH-LSDHHAIUSA-N 1 3 323.437 -0.234 20 0 DBADHO O=C([C@H]1C[N@H+]2CCC[C@H]2CO1)N1CCC2(CN(CCO)C2)CC1 ZINC001035709435 815017200 /nfs/dbraw/zinc/01/72/00/815017200.db2.gz FPTVVTJZLRRIPH-LSDHHAIUSA-N 1 3 323.437 -0.234 20 0 DBADHO C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000774851782 804431806 /nfs/dbraw/zinc/43/18/06/804431806.db2.gz CBVDNTODMFKGMK-ZIAGYGMSSA-N 1 3 324.425 -0.824 20 0 DBADHO C[C@H]([NH2+]CCOCCN(C)C(=O)[C@H]1CCCN1C)C(N)=O ZINC001284853803 804778030 /nfs/dbraw/zinc/77/80/30/804778030.db2.gz CIEQMQIMRPKHKX-NWDGAFQWSA-N 1 3 300.403 -0.981 20 0 DBADHO O=C(C(=O)N1CCN2CCC[C@H]2C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000817959346 805104459 /nfs/dbraw/zinc/10/44/59/805104459.db2.gz BOFORXAQEUCDFJ-XJKSGUPXSA-N 1 3 306.410 -0.353 20 0 DBADHO CON(C)C(=O)CC[NH2+]CCCN1CCC[C@H](C(N)=O)C1 ZINC000819003724 805119565 /nfs/dbraw/zinc/11/95/65/805119565.db2.gz GUGDMLRJTBQHTF-LBPRGKRZSA-N 1 3 300.403 -0.427 20 0 DBADHO CON(C)C(=O)CCNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000819003724 805119571 /nfs/dbraw/zinc/11/95/71/805119571.db2.gz GUGDMLRJTBQHTF-LBPRGKRZSA-N 1 3 300.403 -0.427 20 0 DBADHO CON(C)C(=O)CCNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000819003724 805119579 /nfs/dbraw/zinc/11/95/79/805119579.db2.gz GUGDMLRJTBQHTF-LBPRGKRZSA-N 1 3 300.403 -0.427 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000827936154 805357457 /nfs/dbraw/zinc/35/74/57/805357457.db2.gz FSYKWXHFFQZSQE-MJBXVCDLSA-N 1 3 324.425 -0.776 20 0 DBADHO [NH3+][C@@H](CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1CC1 ZINC000828641342 805380315 /nfs/dbraw/zinc/38/03/15/805380315.db2.gz XUSIZQBYNLGCAO-AWEZNQCLSA-N 1 3 308.426 -0.120 20 0 DBADHO COCC[C@@H]([NH3+])C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000884210933 807040107 /nfs/dbraw/zinc/04/01/07/807040107.db2.gz NXJXDOALPAGAEC-CYBMUJFWSA-N 1 3 312.414 -0.883 20 0 DBADHO CCN(C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)[C@H]1CC[NH2+]C1 ZINC000884559899 807057085 /nfs/dbraw/zinc/05/70/85/807057085.db2.gz IKBKDZLLLCJFSM-BFHYXJOUSA-N 1 3 324.425 -0.824 20 0 DBADHO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)NC[C@]1(N(C)C)CCSC1 ZINC000884612378 807060071 /nfs/dbraw/zinc/06/00/71/807060071.db2.gz KISPKHUUYJYWPU-JTNHKYCSSA-N 1 3 314.455 -0.512 20 0 DBADHO O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000884631596 807061903 /nfs/dbraw/zinc/06/19/03/807061903.db2.gz PKNIIWIMACFSLC-QLFBSQMISA-N 1 3 320.437 -0.060 20 0 DBADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@@H]1CNCCO1 ZINC001325345055 807062943 /nfs/dbraw/zinc/06/29/43/807062943.db2.gz AWFOPRNXGKDHOB-YNEHKIRRSA-N 1 3 312.414 -0.920 20 0 DBADHO C[NH+](C)[C@@H]1CCCC[C@H]1NC(=O)C(=O)NC[C@H]1CNCCO1 ZINC001325345053 807063487 /nfs/dbraw/zinc/06/34/87/807063487.db2.gz AWFOPRNXGKDHOB-JHJVBQTASA-N 1 3 312.414 -0.920 20 0 DBADHO CN(C)CCN(C)C(=O)C(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887079223 807150998 /nfs/dbraw/zinc/15/09/98/807150998.db2.gz NAAZHCASHGQOBR-MRXNPFEDSA-N 1 3 310.442 -0.001 20 0 DBADHO CN1CCN(C[C@H](O)C[NH2+]CCCCN2CCOCC2)CC1 ZINC001326147771 807153504 /nfs/dbraw/zinc/15/35/04/807153504.db2.gz UBEPCNJRKPBASW-MRXNPFEDSA-N 1 3 314.474 -0.703 20 0 DBADHO CN1CCN(C[C@H](O)C[NH2+]CCCN2CCC(O)CC2)CC1 ZINC001326201141 807160349 /nfs/dbraw/zinc/16/03/49/807160349.db2.gz UBXWMADPFYLWIP-MRXNPFEDSA-N 1 3 314.474 -0.969 20 0 DBADHO O=C(CN1CCCC1)N[C@H]1COC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000888042542 807170370 /nfs/dbraw/zinc/17/03/70/807170370.db2.gz VOWBULMFBPBBMV-OKILXGFUSA-N 1 3 324.425 -0.822 20 0 DBADHO O=C(CN1CCCC1)N[C@@H]1COC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000888042542 807170374 /nfs/dbraw/zinc/17/03/74/807170374.db2.gz VOWBULMFBPBBMV-OKILXGFUSA-N 1 3 324.425 -0.822 20 0 DBADHO COC[C@@H](O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001326329407 807170730 /nfs/dbraw/zinc/17/07/30/807170730.db2.gz AUJSMGNWASAABO-QLFBSQMISA-N 1 3 313.442 -0.084 20 0 DBADHO CCN1CCN(CCCNC(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC001326688159 807205934 /nfs/dbraw/zinc/20/59/34/807205934.db2.gz PISSDNBOPMSCNS-UHFFFAOYSA-N 1 3 312.458 -0.101 20 0 DBADHO C[C@@H](O)CCC[NH2+]C[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001327036387 807235228 /nfs/dbraw/zinc/23/52/28/807235228.db2.gz VZNVGXAWIHTNAP-OCCSQVGLSA-N 1 3 310.398 -0.070 20 0 DBADHO C[C@@H](O)CCC[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001327036388 807235617 /nfs/dbraw/zinc/23/56/17/807235617.db2.gz VZNVGXAWIHTNAP-TZMCWYRMSA-N 1 3 310.398 -0.070 20 0 DBADHO C[NH+](C)CCNC(=S)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000899664926 807267040 /nfs/dbraw/zinc/26/70/40/807267040.db2.gz UUKQQCRHBDXUJO-OLZOCXBDSA-N 1 3 300.472 -0.047 20 0 DBADHO [NH3+]Cc1cc(=O)[n-]c(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)n1 ZINC001327615240 807313612 /nfs/dbraw/zinc/31/36/12/807313612.db2.gz VYJVYZUJZVOSDX-MRVPVSSYSA-N 1 3 301.297 -0.498 20 0 DBADHO OCCN(CCN1CCOCC1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903735803 807406178 /nfs/dbraw/zinc/40/61/78/807406178.db2.gz DRRVCAIFDHHVLX-JKSUJKDBSA-N 1 3 313.442 -0.619 20 0 DBADHO COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000903738051 807406356 /nfs/dbraw/zinc/40/63/56/807406356.db2.gz HWVIRYMKLNJLGP-GFCCVEGCSA-N 1 3 314.430 -0.781 20 0 DBADHO NCc1cn([C@H]2CCCN(C[C@H](O)C[NH+]3CCCC3)C2)nn1 ZINC000903761306 807409759 /nfs/dbraw/zinc/40/97/59/807409759.db2.gz PJRNDPOAQKGATC-LSDHHAIUSA-N 1 3 308.430 -0.170 20 0 DBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CCN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)C1 ZINC000903778884 807413225 /nfs/dbraw/zinc/41/32/25/807413225.db2.gz RSEYEXRTNCIZGO-YRKSKIDTSA-N 1 3 323.393 -0.343 20 0 DBADHO C[C@](Cn1cccn1)(NC[C@H]1C[C@]2(CC[NH2+]C2)CO1)C(N)=O ZINC000903829906 807416560 /nfs/dbraw/zinc/41/65/60/807416560.db2.gz NULZHRZZIMUENH-YUELXQCFSA-N 1 3 307.398 -0.515 20 0 DBADHO C[C@](Cn1cccn1)(NC[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C(N)=O ZINC000903829905 807416575 /nfs/dbraw/zinc/41/65/75/807416575.db2.gz NULZHRZZIMUENH-NWANDNLSSA-N 1 3 307.398 -0.515 20 0 DBADHO C[C@](Cn1cccn1)(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(N)=O ZINC000903830065 807416618 /nfs/dbraw/zinc/41/66/18/807416618.db2.gz RTRFSYOHOSZHOM-DZGCQCFKSA-N 1 3 321.425 -0.125 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(F)F ZINC001328385266 807421020 /nfs/dbraw/zinc/42/10/20/807421020.db2.gz KVJKUXJWBUCZIO-UHFFFAOYSA-N 1 3 308.373 -0.338 20 0 DBADHO Cc1c(C[C@@H](C[NH3+])CN2C[C@@H]3C(=O)N(C)C(=O)[C@@H]3C2)cnn1C ZINC000903937094 807422018 /nfs/dbraw/zinc/42/20/18/807422018.db2.gz BAYGZCLAFIVYAX-FPMFFAJLSA-N 1 3 319.409 -0.607 20 0 DBADHO CN(CCN1CCCC1)C(=O)C(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000905009069 807437832 /nfs/dbraw/zinc/43/78/32/807437832.db2.gz QKIHPHXJLBZKOK-CJNGLKHVSA-N 1 3 308.426 -0.120 20 0 DBADHO NC(=O)[C@H]1CCCN(CCC[NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC000905084058 807445135 /nfs/dbraw/zinc/44/51/35/807445135.db2.gz RZZWYRKJNKNEGX-UONOGXRCSA-N 1 3 313.442 -0.171 20 0 DBADHO CN1CCN(CC[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1(C)C ZINC000905248459 807450072 /nfs/dbraw/zinc/45/00/72/807450072.db2.gz UGMJVLHNABBBSQ-GDBMZVCRSA-N 1 3 315.458 -0.496 20 0 DBADHO CN1CC[C@@H]2CN(C(=O)C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)C[C@@H]21 ZINC001329647521 807598483 /nfs/dbraw/zinc/59/84/83/807598483.db2.gz PPIBCYPVXKNVOJ-LMOYCYGVSA-N 1 3 306.410 -0.783 20 0 DBADHO [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C1CNCCS1(=O)=O ZINC000911790472 807621126 /nfs/dbraw/zinc/62/11/26/807621126.db2.gz QIQOOAZOZXNVNM-CQSZACIVSA-N 1 3 323.418 -0.189 20 0 DBADHO CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1([NH+](C)C)CC1 ZINC000922986890 807644989 /nfs/dbraw/zinc/64/49/89/807644989.db2.gz GNCBYRCSUFZILQ-UHFFFAOYSA-N 1 3 313.446 -0.258 20 0 DBADHO CCn1nc2c(cc1=O)CN(C[C@H]1CC3(C[NH2+]C3)CO1)CC2 ZINC000923315185 807658506 /nfs/dbraw/zinc/65/85/06/807658506.db2.gz RANHBSAFRZDJHK-CYBMUJFWSA-N 1 3 304.394 0.000 20 0 DBADHO O=C1CNCCN1[C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923332065 807659827 /nfs/dbraw/zinc/65/98/27/807659827.db2.gz GQHZZUXNOVAWCM-UONOGXRCSA-N 1 3 308.426 -0.739 20 0 DBADHO NCC(C[NH3+])NCCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000923354381 807661103 /nfs/dbraw/zinc/66/11/03/807661103.db2.gz MPKPZZZYNCIUIH-UHFFFAOYSA-N 1 3 323.416 -0.260 20 0 DBADHO Cn1nccc1[C@H]1[C@H](NC[C@H]2CC3(C[NH2+]C3)CO2)CC(=O)N1C ZINC000923379452 807662332 /nfs/dbraw/zinc/66/23/32/807662332.db2.gz PITIDOJZQRFNGD-LALPHHSUSA-N 1 3 319.409 -0.340 20 0 DBADHO CSC[C@H](O)CN1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000923413110 807665645 /nfs/dbraw/zinc/66/56/45/807665645.db2.gz DFWQNMYASWCKBC-QCNOEVLYSA-N 1 3 301.412 -0.423 20 0 DBADHO CN1CC(=O)N(CCN2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1=O ZINC000923408665 807666157 /nfs/dbraw/zinc/66/61/57/807666157.db2.gz DPYGGOPYESMWBW-AWEZNQCLSA-N 1 3 324.425 -0.029 20 0 DBADHO O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(CCO[C@@H]2CCOC2)C1 ZINC000923414613 807666326 /nfs/dbraw/zinc/66/63/26/807666326.db2.gz MOLNBYLZQWJHPB-RFQIPJPRSA-N 1 3 311.382 -0.341 20 0 DBADHO CN1CC[C@H]2[C@@H](CCCN2S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000923629793 807693093 /nfs/dbraw/zinc/69/30/93/807693093.db2.gz GSRWSXVOMBSSGT-STQMWFEESA-N 1 3 302.444 -0.448 20 0 DBADHO [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)N1CCNCC1 ZINC000923651419 807696578 /nfs/dbraw/zinc/69/65/78/807696578.db2.gz DGBUNACSMDCROD-AWEZNQCLSA-N 1 3 310.423 -0.306 20 0 DBADHO O=S(=O)(CCC[NH+]1CCCC1)N1CCNCCNCC1 ZINC000923693067 807704254 /nfs/dbraw/zinc/70/42/54/807704254.db2.gz IXUSGJPNCNUBFB-UHFFFAOYSA-N 1 3 304.460 -0.703 20 0 DBADHO C[C@@H]1C[N@H+](CCCN2C(=O)N[C@H](CN(C)C)C2=O)CCCO1 ZINC000924744659 807721649 /nfs/dbraw/zinc/72/16/49/807721649.db2.gz RVPQIGCSDHCUMF-CHWSQXEVSA-N 1 3 312.414 -0.031 20 0 DBADHO C[C@@H]1C[N@@H+](CCCN2C(=O)N[C@H](CN(C)C)C2=O)CCCO1 ZINC000924744659 807721651 /nfs/dbraw/zinc/72/16/51/807721651.db2.gz RVPQIGCSDHCUMF-CHWSQXEVSA-N 1 3 312.414 -0.031 20 0 DBADHO C[C@@H]1C[N@H+](CCCN2C(=O)N[C@@H](CN(C)C)C2=O)CCCO1 ZINC000924744661 807721775 /nfs/dbraw/zinc/72/17/75/807721775.db2.gz RVPQIGCSDHCUMF-OLZOCXBDSA-N 1 3 312.414 -0.031 20 0 DBADHO C[C@@H]1C[N@@H+](CCCN2C(=O)N[C@@H](CN(C)C)C2=O)CCCO1 ZINC000924744661 807721780 /nfs/dbraw/zinc/72/17/80/807721780.db2.gz RVPQIGCSDHCUMF-OLZOCXBDSA-N 1 3 312.414 -0.031 20 0 DBADHO O[C@H](CN[C@H]1C[NH2+]CCOC1)CN1CCc2ccccc2C1 ZINC000925604501 807744482 /nfs/dbraw/zinc/74/44/82/807744482.db2.gz KNBXTHRQUAOWQL-DLBZAZTESA-N 1 3 305.422 -0.016 20 0 DBADHO O=C(C(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)N1CC[C@@H](N2CCCC2)C1 ZINC000926326952 807759455 /nfs/dbraw/zinc/75/94/55/807759455.db2.gz RJNHBELQLVCIGX-RRFJBIMHSA-N 1 3 320.437 -0.249 20 0 DBADHO CCCN1CC[C@H](NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC001331103126 807770549 /nfs/dbraw/zinc/77/05/49/807770549.db2.gz ITPSTOXNFMRZQL-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1COC[C@H]1NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C ZINC000932076525 807954834 /nfs/dbraw/zinc/95/48/34/807954834.db2.gz AGNXQCXOXRHZSU-CHWSQXEVSA-N 1 3 314.430 -0.911 20 0 DBADHO C[C@@H](CNC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCCCC1 ZINC001333349417 808047443 /nfs/dbraw/zinc/04/74/43/808047443.db2.gz DIMVDECXWXFSMG-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO CN(C)C[C@H](O)C[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001333464867 808065952 /nfs/dbraw/zinc/06/59/52/808065952.db2.gz FVKZRGJRBPQPQN-MRXNPFEDSA-N 1 3 314.474 -0.705 20 0 DBADHO C[C@H](CC[NH3+])NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001333543607 808073617 /nfs/dbraw/zinc/07/36/17/808073617.db2.gz RYGYETUQEREIRX-DGCLKSJQSA-N 1 3 312.414 -0.791 20 0 DBADHO CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)NC/C=C/Cl ZINC001335246585 808263757 /nfs/dbraw/zinc/26/37/57/808263757.db2.gz RUFVZVBVQYMYTF-AATRIKPKSA-N 1 3 304.822 -0.193 20 0 DBADHO CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCC1([NH3+])CC1 ZINC001336785425 808415910 /nfs/dbraw/zinc/41/59/10/808415910.db2.gz ZQPUKCJVMAZPIE-LBPRGKRZSA-N 1 3 311.430 -0.280 20 0 DBADHO CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001337403380 808451897 /nfs/dbraw/zinc/45/18/97/808451897.db2.gz PXBLGMAXOIEPOD-MELADBBJSA-N 1 3 308.426 -0.060 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)C1 ZINC000950077763 808586807 /nfs/dbraw/zinc/58/68/07/808586807.db2.gz UMUGUPUCUFKQPL-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCN2C(=O)CN2CCCC2)C1 ZINC000950077763 808586814 /nfs/dbraw/zinc/58/68/14/808586814.db2.gz UMUGUPUCUFKQPL-KGLIPLIRSA-N 1 3 308.426 -0.249 20 0 DBADHO CCN1CCN(CCCNC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001340114998 808622064 /nfs/dbraw/zinc/62/20/64/808622064.db2.gz ZMNZSLMWNLCKCM-KBPBESRZSA-N 1 3 300.447 -0.653 20 0 DBADHO CCN1CCN(CCCNC(=O)c2ccn(CCC[NH3+])n2)CC1 ZINC001340894185 808662750 /nfs/dbraw/zinc/66/27/50/808662750.db2.gz KLCGYUOGJFICSK-UHFFFAOYSA-N 1 3 322.457 -0.011 20 0 DBADHO CN1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCCN(CC[NH3+])C1=O ZINC001341580050 808690379 /nfs/dbraw/zinc/69/03/79/808690379.db2.gz NFOFJPDWOISYIH-MGPQQGTHSA-N 1 3 308.426 -0.121 20 0 DBADHO COCCNCC(=O)NCc1ccc(CN2CC[NH2+]CC2)cc1 ZINC001341679765 808694870 /nfs/dbraw/zinc/69/48/70/808694870.db2.gz JQFBIXHYOFPASO-UHFFFAOYSA-N 1 3 320.437 -0.056 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1)C1CC1 ZINC000954319089 809214245 /nfs/dbraw/zinc/21/42/45/809214245.db2.gz GNOOGZWVYHOEMF-ZFWWWQNUSA-N 1 3 322.453 -0.053 20 0 DBADHO CN(C)[C@H](C(=O)N1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1)C1CC1 ZINC000954319089 809214248 /nfs/dbraw/zinc/21/42/48/809214248.db2.gz GNOOGZWVYHOEMF-ZFWWWQNUSA-N 1 3 322.453 -0.053 20 0 DBADHO O=C(CN1CCCC1)N1CCCC[C@H]1C[NH2+][C@H]1CCNC1=O ZINC000960217653 810161091 /nfs/dbraw/zinc/16/10/91/810161091.db2.gz VORHPLIAVNFWAV-KBPBESRZSA-N 1 3 308.426 -0.059 20 0 DBADHO O=C(N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21)C12CCC[NH+]1CCC2 ZINC000960778194 810199894 /nfs/dbraw/zinc/19/98/94/810199894.db2.gz VKPLJJBLRYDFNJ-RQJABVFESA-N 1 3 318.421 -0.450 20 0 DBADHO CN(C)C1(C(=O)N2CC[C@@H]([NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC000968903986 811512349 /nfs/dbraw/zinc/51/23/49/811512349.db2.gz FBLGBFNRFCWQLO-CYBMUJFWSA-N 1 3 308.426 -0.107 20 0 DBADHO CN(CC(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1)C1CCC1 ZINC000968921642 811513291 /nfs/dbraw/zinc/51/32/91/811513291.db2.gz COLJOMHBMHHUOZ-CYBMUJFWSA-N 1 3 306.414 -0.047 20 0 DBADHO CN(C(=O)[C@@H]1CN2CC3CC2(C3)CO1)C1CC[NH+](CCO)CC1 ZINC001005740077 812100973 /nfs/dbraw/zinc/10/09/73/812100973.db2.gz DLBNGZAJOUEJCZ-GULBITTBSA-N 1 3 323.437 -0.235 20 0 DBADHO C[C@H](N[C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1)C(N)=O ZINC001018861141 814006865 /nfs/dbraw/zinc/00/68/65/814006865.db2.gz OZXOQXDEBBFTFR-RYUDHWBXSA-N 1 3 322.413 -0.877 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001019241587 814102930 /nfs/dbraw/zinc/10/29/30/814102930.db2.gz LMFVHZPXTLKGLC-SDDRHHMPSA-N 1 3 308.382 -0.924 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CC[C@H]([NH2+]CCn3cncn3)C2)C1 ZINC001019384181 814146469 /nfs/dbraw/zinc/14/64/69/814146469.db2.gz VWXBNNDEPFCBCF-KBPBESRZSA-N 1 3 306.414 -0.190 20 0 DBADHO C[NH+]1CCC(CC(=O)N2CC[C@H](N[C@@H]3CCNC3=O)C2)CC1 ZINC001019469577 814161629 /nfs/dbraw/zinc/16/16/29/814161629.db2.gz BZJAMMVMCWEAKV-UONOGXRCSA-N 1 3 308.426 -0.203 20 0 DBADHO Cn1nncc1CN[C@H]1C[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001020161507 814317945 /nfs/dbraw/zinc/31/79/45/814317945.db2.gz FXZVWGRUFSYZRH-YDHLFZDLSA-N 1 3 318.425 -0.106 20 0 DBADHO C[C@@H](O)CN1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084366 814409128 /nfs/dbraw/zinc/40/91/28/814409128.db2.gz HZSRABJVEYMRKQ-KGLIPLIRSA-N 1 3 323.441 -0.028 20 0 DBADHO C[C@H](O)CN1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084362 814410065 /nfs/dbraw/zinc/41/00/65/814410065.db2.gz HZSRABJVEYMRKQ-KBPBESRZSA-N 1 3 323.441 -0.028 20 0 DBADHO O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@H]1CN2CCC[C@@H]2CO1 ZINC001034654434 814709728 /nfs/dbraw/zinc/70/97/28/814709728.db2.gz WXXLHRAWOIGDRK-KBUPBQIOSA-N 1 3 311.426 -0.141 20 0 DBADHO CN(C)C1(C(=O)N2CCC[C@@H]2C[NH2+][C@@H]2CCNC2=O)CCC1 ZINC001034957462 814755902 /nfs/dbraw/zinc/75/59/02/814755902.db2.gz WEMDMXOKBULZMD-CHWSQXEVSA-N 1 3 308.426 -0.060 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001035013299 814843814 /nfs/dbraw/zinc/84/38/14/814843814.db2.gz FZBJCJLOERGDCF-FRRDWIJNSA-N 1 3 322.409 -0.534 20 0 DBADHO CN1CC[C@H](NC[C@H]2CCCN2C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001035102734 814858314 /nfs/dbraw/zinc/85/83/14/814858314.db2.gz MJDURBOEIOIFHD-KGLIPLIRSA-N 1 3 320.437 -0.107 20 0 DBADHO O=C(CN1CCCC1)N1CCC[C@@H]1C[NH2+][C@H]1CCC(=O)NC1=O ZINC001035125988 814860731 /nfs/dbraw/zinc/86/07/31/814860731.db2.gz QQSKGHVIVOKPCD-OLZOCXBDSA-N 1 3 322.409 -0.532 20 0 DBADHO CC1(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)CC[NH+](CCO)CC1 ZINC001045444842 816632989 /nfs/dbraw/zinc/63/29/89/816632989.db2.gz YPBRGYOWJFPDJB-KGLIPLIRSA-N 1 3 311.426 -0.187 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1)C1CC1 ZINC001046035922 816734538 /nfs/dbraw/zinc/73/45/38/816734538.db2.gz WGPIKZUEBMFBQE-JKSUJKDBSA-N 1 3 324.469 -0.463 20 0 DBADHO CN(C)[C@@H](C(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1)C1CC1 ZINC001046035922 816734540 /nfs/dbraw/zinc/73/45/40/816734540.db2.gz WGPIKZUEBMFBQE-JKSUJKDBSA-N 1 3 324.469 -0.463 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1CCN([C@H]2CC[N@H+](CCO)C2)CC1 ZINC001046064125 816746244 /nfs/dbraw/zinc/74/62/44/816746244.db2.gz GBCXVWVEUQYYQE-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N1CCN([C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001046064125 816746249 /nfs/dbraw/zinc/74/62/49/816746249.db2.gz GBCXVWVEUQYYQE-CVEARBPZSA-N 1 3 324.469 -0.319 20 0 DBADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1C[C@@H]2C[N@H+](CCO)C[C@@H]2C1 ZINC001048833988 817455752 /nfs/dbraw/zinc/45/57/52/817455752.db2.gz XIRVJCYHENVLRG-LXTVHRRPSA-N 1 3 309.410 -0.768 20 0 DBADHO O=C([C@H]1CN2CCC[C@@H]2CO1)N1C[C@@H]2C[N@@H+](CCO)C[C@@H]2C1 ZINC001048833988 817455755 /nfs/dbraw/zinc/45/57/55/817455755.db2.gz XIRVJCYHENVLRG-LXTVHRRPSA-N 1 3 309.410 -0.768 20 0 DBADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CCC1 ZINC001048860156 817463182 /nfs/dbraw/zinc/46/31/82/817463182.db2.gz IXNCJAMKQQBEPI-MJBXVCDLSA-N 1 3 320.437 -0.251 20 0 DBADHO CN(C)C1(C(=O)N2C[C@@H]3C[N@@H+]([C@H]4CCNC4=O)C[C@@H]3C2)CCC1 ZINC001048860156 817463187 /nfs/dbraw/zinc/46/31/87/817463187.db2.gz IXNCJAMKQQBEPI-MJBXVCDLSA-N 1 3 320.437 -0.251 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)C[C@@H]2C1 ZINC001048863958 817465469 /nfs/dbraw/zinc/46/54/69/817465469.db2.gz QYBBQHILGMSVCQ-REBRKWNGSA-N 1 3 322.453 -0.149 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001048890372 817473578 /nfs/dbraw/zinc/47/35/78/817473578.db2.gz FWUQEQMCZBIROJ-LXTVHRRPSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@@H]2C1)N(C)C ZINC001048890372 817473581 /nfs/dbraw/zinc/47/35/81/817473581.db2.gz FWUQEQMCZBIROJ-LXTVHRRPSA-N 1 3 322.453 -0.005 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049056948 817519200 /nfs/dbraw/zinc/51/92/00/817519200.db2.gz FARQAGXYDKGRSN-TUVASFSCSA-N 1 3 322.453 -0.005 20 0 DBADHO CNC(=O)[C@@H](C)N1C[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)C[C@@H]2C1 ZINC001049056948 817519205 /nfs/dbraw/zinc/51/92/05/817519205.db2.gz FARQAGXYDKGRSN-TUVASFSCSA-N 1 3 322.453 -0.005 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@H+]([C@@H](CC)C(N)=O)C[C@@H]2C1)N(C)C ZINC001049066948 817522821 /nfs/dbraw/zinc/52/28/21/817522821.db2.gz OBDDZRIANDDHGB-CRWXNKLISA-N 1 3 310.442 -0.019 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H]2C[N@@H+]([C@@H](CC)C(N)=O)C[C@@H]2C1)N(C)C ZINC001049066948 817522825 /nfs/dbraw/zinc/52/28/25/817522825.db2.gz OBDDZRIANDDHGB-CRWXNKLISA-N 1 3 310.442 -0.019 20 0 DBADHO CN1CC[C@H]([N@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049082620 817526872 /nfs/dbraw/zinc/52/68/72/817526872.db2.gz KLVJRUSXASOOBN-SCRDCRAPSA-N 1 3 317.393 -0.427 20 0 DBADHO CN1CC[C@H]([N@@H+]2C[C@H]3CN(C(=O)Cc4c[nH]cn4)C[C@H]3C2)C1=O ZINC001049082620 817526879 /nfs/dbraw/zinc/52/68/79/817526879.db2.gz KLVJRUSXASOOBN-SCRDCRAPSA-N 1 3 317.393 -0.427 20 0 DBADHO CNC(=O)[C@H](C)N1C[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C1 ZINC001049174298 817550877 /nfs/dbraw/zinc/55/08/77/817550877.db2.gz RPFYZZTZMAZPCJ-MELADBBJSA-N 1 3 320.437 -0.393 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@H](CC[NH2+][C@H]2CCNC2=O)C1 ZINC001050238006 817704025 /nfs/dbraw/zinc/70/40/25/817704025.db2.gz VBNFTKWOZRYLRI-KBPBESRZSA-N 1 3 308.426 -0.201 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H](CC[NH2+][C@@H]2CCNC2=O)C1 ZINC001050238012 817704088 /nfs/dbraw/zinc/70/40/88/817704088.db2.gz VBNFTKWOZRYLRI-ZIAGYGMSSA-N 1 3 308.426 -0.201 20 0 DBADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001050753762 817753334 /nfs/dbraw/zinc/75/33/34/817753334.db2.gz CALAIVNVPUYASM-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO CNC(=O)[C@@H](C)N1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001050753762 817753340 /nfs/dbraw/zinc/75/33/40/817753340.db2.gz CALAIVNVPUYASM-KGLIPLIRSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CCO1 ZINC001051722657 818017495 /nfs/dbraw/zinc/01/74/95/818017495.db2.gz QMPJEUMSECTLSY-WJEHIRDRSA-N 1 3 309.410 -0.314 20 0 DBADHO CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN3CC4CC3(C4)CO2)CCO1 ZINC001051722655 818018119 /nfs/dbraw/zinc/01/81/19/818018119.db2.gz QMPJEUMSECTLSY-IQXANGCESA-N 1 3 309.410 -0.314 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001065672590 819944993 /nfs/dbraw/zinc/94/49/93/819944993.db2.gz VRTCOVIFCPXIHI-CYBMUJFWSA-N 1 3 323.397 -0.753 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@H]1CN(C(=O)Cc2c[nH]cn2)CCO1 ZINC001065672591 819945435 /nfs/dbraw/zinc/94/54/35/819945435.db2.gz VRTCOVIFCPXIHI-ZDUSSCGKSA-N 1 3 323.397 -0.753 20 0 DBADHO CC(C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1n1ccnn1 ZINC001070284760 820441073 /nfs/dbraw/zinc/44/10/73/820441073.db2.gz SWXUYYZJQAEECR-OLZOCXBDSA-N 1 3 303.370 -0.006 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CN(CCO)CCCO2)CC[N@@H+]1C ZINC001073613141 821184334 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20 0 DBADHO COC[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078017921 822320161 /nfs/dbraw/zinc/32/01/61/822320161.db2.gz DYTYWSFSABCWCZ-UXIGCNINSA-N 1 3 322.409 -0.043 20 0 DBADHO COC[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnccc2N(C)C)C1 ZINC001078017921 822320169 /nfs/dbraw/zinc/32/01/69/822320169.db2.gz DYTYWSFSABCWCZ-UXIGCNINSA-N 1 3 322.409 -0.043 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CN3CC4CC3(C4)CO2)C[C@H]1[NH2+]CCO ZINC001082653340 824455281 /nfs/dbraw/zinc/45/52/81/824455281.db2.gz GJYPHIVKOWWCKK-AYVTUFRQSA-N 1 3 309.410 -0.722 20 0 DBADHO CC[C@@H](C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)N2CCC2)C1)N(C)C ZINC001082747180 824463260 /nfs/dbraw/zinc/46/32/60/824463260.db2.gz CNTLLMQVYPTMAS-MCIONIFRSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082919752 824470150 /nfs/dbraw/zinc/47/01/50/824470150.db2.gz DUEGJVCOJCNTKC-HZSPNIEDSA-N 1 3 308.426 -0.393 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)N1CCC1 ZINC001082919752 824470153 /nfs/dbraw/zinc/47/01/53/824470153.db2.gz DUEGJVCOJCNTKC-HZSPNIEDSA-N 1 3 308.426 -0.393 20 0 DBADHO C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CN(CC3CC3)C[C@@H]2O)n1 ZINC001083469339 824640218 /nfs/dbraw/zinc/64/02/18/824640218.db2.gz PHAFJXRMHDTADZ-CABCVRRESA-N 1 3 321.425 -0.370 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CCC1 ZINC001114406961 828688813 /nfs/dbraw/zinc/68/88/13/828688813.db2.gz OBSJVIYKAUKXFO-RFQIPJPRSA-N 1 3 320.437 -0.252 20 0 DBADHO CN(C)C1(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H]4CCN(C)C4=O)C[C@H]32)CCC1 ZINC001114406961 828688815 /nfs/dbraw/zinc/68/88/15/828688815.db2.gz OBSJVIYKAUKXFO-RFQIPJPRSA-N 1 3 320.437 -0.252 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21)N(C)C ZINC001114442309 828695915 /nfs/dbraw/zinc/69/59/15/828695915.db2.gz DORLMYXBGYZAPE-YJNKXOJESA-N 1 3 313.442 -0.372 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21)N(C)C ZINC001114442309 828695919 /nfs/dbraw/zinc/69/59/19/828695919.db2.gz DORLMYXBGYZAPE-YJNKXOJESA-N 1 3 313.442 -0.372 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCOCCO)C[C@H]32)CC1 ZINC001114740929 828734986 /nfs/dbraw/zinc/73/49/86/828734986.db2.gz FHXKHKWBDOMLPB-WDNDVIMCSA-N 1 3 311.426 -0.617 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3CN(CCn4cncn4)C[C@H]32)CC1 ZINC001114741313 828735080 /nfs/dbraw/zinc/73/50/80/828735080.db2.gz MHTPYRVFFARXAE-WDNDVIMCSA-N 1 3 318.425 -0.334 20 0 DBADHO Cn1cc(CCN2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)cn1 ZINC001114779103 828742212 /nfs/dbraw/zinc/74/22/12/828742212.db2.gz XHZXGMFAIXZLQB-FOLVSLTJSA-N 1 3 305.426 -0.039 20 0 DBADHO O=C(NC[C@H]1C[C@@H]([NH2+]CCO)C1)[C@H]1CN2CC3CC2(C3)CO1 ZINC001086151097 825187010 /nfs/dbraw/zinc/18/70/10/825187010.db2.gz NCXMEAUYENSUFO-BCWAKEQVSA-N 1 3 309.410 -0.674 20 0 DBADHO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001086478079 825273389 /nfs/dbraw/zinc/27/33/89/825273389.db2.gz HGHSETAAHFULLK-PWNZVWSESA-N 1 3 320.441 -0.003 20 0 DBADHO C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC[C@H]1C[C@H](NCc2cnnn2C)C1 ZINC001086478079 825273397 /nfs/dbraw/zinc/27/33/97/825273397.db2.gz HGHSETAAHFULLK-PWNZVWSESA-N 1 3 320.441 -0.003 20 0 DBADHO O=C(NC[C@H]1CC[C@@H]([NH2+]CCO)C1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001086761534 825297072 /nfs/dbraw/zinc/29/70/72/825297072.db2.gz KMCHXMRXUWCEMV-FWPNWONVSA-N 1 3 323.437 -0.284 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114997071 828773271 /nfs/dbraw/zinc/77/32/71/828773271.db2.gz HSOWSUZVKMUEAB-SFDCQRBFSA-N 1 3 308.426 -0.395 20 0 DBADHO CCN(CC)CC(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCN(C)C3=O)C[C@H]21 ZINC001114997071 828773276 /nfs/dbraw/zinc/77/32/76/828773276.db2.gz HSOWSUZVKMUEAB-SFDCQRBFSA-N 1 3 308.426 -0.395 20 0 DBADHO CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115080808 828784070 /nfs/dbraw/zinc/78/40/70/828784070.db2.gz FQAGBSLVSFBUDJ-OZTPJHRESA-N 1 3 322.409 -0.820 20 0 DBADHO CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2CN([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001115080808 828784074 /nfs/dbraw/zinc/78/40/74/828784074.db2.gz FQAGBSLVSFBUDJ-OZTPJHRESA-N 1 3 322.409 -0.820 20 0 DBADHO COCCN1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001090393238 825674252 /nfs/dbraw/zinc/67/42/52/825674252.db2.gz HXUMJAYURSGLNG-KBPBESRZSA-N 1 3 311.426 -0.187 20 0 DBADHO COc1cnc(O[C@H]2CCN(C(=O)[C@H](N)CCC[NH3+])C2)nc1 ZINC001161299208 832999621 /nfs/dbraw/zinc/99/96/21/832999621.db2.gz SZIYYGSFWHFJJY-CMPLNLGQSA-N 1 3 309.370 -0.469 20 0 DBADHO COc1cnc(O[C@H]2CCN(C(=O)[C@@H](N)CCCC[NH3+])C2)nc1 ZINC001161298464 832999844 /nfs/dbraw/zinc/99/98/44/832999844.db2.gz MNENCFQMPJZMBL-AAEUAGOBSA-N 1 3 323.397 -0.079 20 0 DBADHO C[C@@H]1C[N@H+](CCO)C[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001092838372 826068316 /nfs/dbraw/zinc/06/83/16/826068316.db2.gz OQEDIKBSXWXOQN-RJZXRHAOSA-N 1 3 323.437 -0.474 20 0 DBADHO C[C@@H]1C[N@@H+](CCO)C[C@H]1CNC(=O)[C@H]1CN2CC3CC2(C3)CO1 ZINC001092838372 826068326 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CC(C)N(C)CC(=O)NCC1CC([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001101036178 827065390 /nfs/dbraw/zinc/06/53/90/827065390.db2.gz JRHVIAMNPKKMPZ-WXRRBKDZSA-N 1 3 324.425 -0.384 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101400357 827104635 /nfs/dbraw/zinc/10/46/35/827104635.db2.gz SOWBAZLANBAAOL-KEYYUXOJSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1C[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@@]2(C)C1 ZINC001101400357 827104639 /nfs/dbraw/zinc/10/46/39/827104639.db2.gz SOWBAZLANBAAOL-KEYYUXOJSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1C[C@H]2C(=O)NC3(CCN(C[C@H]4CCC(=O)N4)CC3)[C@@H]2C1 ZINC001275187477 833157638 /nfs/dbraw/zinc/15/76/38/833157638.db2.gz QOBMIUWRIAELSO-JHJVBQTASA-N 1 3 306.410 -0.593 20 0 DBADHO C[N@H+]1C[C@H]2C(=O)NC3(CCN(C[C@H]4CCC(=O)N4)CC3)[C@@H]2C1 ZINC001275187477 833157643 /nfs/dbraw/zinc/15/76/43/833157643.db2.gz QOBMIUWRIAELSO-JHJVBQTASA-N 1 3 306.410 -0.593 20 0 DBADHO CNC(=O)CN1C[C@@H](CNC(=O)[C@@H](C2CC2)[NH+](C)C)[C@H](C)C1 ZINC001102047957 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JCVASEPRRFCBFQ-UHFFFAOYSA-N 1 3 322.475 -0.686 20 0 DBADHO CC[N@@H+](C)C(C)(C)C(=O)NCCNCCN(C)S(C)(=O)=O ZINC001130424966 830320564 /nfs/dbraw/zinc/32/05/64/830320564.db2.gz JCVASEPRRFCBFQ-UHFFFAOYSA-N 1 3 322.475 -0.686 20 0 DBADHO CCN(C)C(C)(C)C(=O)NCC[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC001130424870 830320928 /nfs/dbraw/zinc/32/09/28/830320928.db2.gz DWNNNTWCLUSCRL-GFCCVEGCSA-N 1 3 319.471 -0.143 20 0 DBADHO CN(CCC(=O)NCCN[C@@H]1CCNC1=O)c1cc[nH+]cc1 ZINC001130556801 830341269 /nfs/dbraw/zinc/34/12/69/830341269.db2.gz YPYHUSWTDGLVEQ-CYBMUJFWSA-N 1 3 305.382 -0.498 20 0 DBADHO CN(CCC(=O)NCCN[C@@H]1CCN(C)C1=O)c1cc[nH+]cc1 ZINC001130558784 830341540 /nfs/dbraw/zinc/34/15/40/830341540.db2.gz OSFRGTZCMTWWKH-CQSZACIVSA-N 1 3 319.409 -0.156 20 0 DBADHO O=C(NCC[NH2+]CC[C@H]1CCOC1)[C@@H]1CN2CC3CC2(C3)CO1 ZINC001131519442 830479643 /nfs/dbraw/zinc/47/96/43/830479643.db2.gz FKQWZTHYJYGRCC-BOLLXYOYSA-N 1 3 323.437 -0.018 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001181999985 833650704 /nfs/dbraw/zinc/65/07/04/833650704.db2.gz DCIOJJHBPKWSAW-LLVKDONJSA-N 1 3 302.379 -0.475 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992518 830727445 /nfs/dbraw/zinc/72/74/45/830727445.db2.gz AGEVOVAPOAXIMK-UHFFFAOYSA-N 1 3 310.442 -0.098 20 0 DBADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC001133290938 830763108 /nfs/dbraw/zinc/76/31/08/830763108.db2.gz FNJOKVQNMSLKJQ-CHWSQXEVSA-N 1 3 314.430 -0.672 20 0 DBADHO C[C@H](NC(=O)CNCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001133285730 830763171 /nfs/dbraw/zinc/76/31/71/830763171.db2.gz GIQKJQIHZZWCEX-LBPRGKRZSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@@H](NCCNC(=O)CC[NH+](C)C)C(=O)NCc1ccco1 ZINC001133291014 830764403 /nfs/dbraw/zinc/76/44/03/830764403.db2.gz HUNLKYZLLCSYBT-GFCCVEGCSA-N 1 3 310.398 -0.058 20 0 DBADHO CC(C)[C@H](C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1)N(C)C ZINC001133434673 830775765 /nfs/dbraw/zinc/77/57/65/830775765.db2.gz YJHVAYJNZCQCOK-UONOGXRCSA-N 1 3 311.430 -0.464 20 0 DBADHO CC[C@@H](C(=O)NCCNCC(=O)NC(N)=O)[NH+](CC)CC ZINC001133684979 830808906 /nfs/dbraw/zinc/80/89/06/830808906.db2.gz OFSYFXPLUUJNPG-JTQLQIEISA-N 1 3 301.391 -0.993 20 0 DBADHO CC[C@@H](C(=O)NCCN[C@H](C)C(=O)NC(N)=O)[NH+](CC)CC ZINC001133690069 830810039 /nfs/dbraw/zinc/81/00/39/830810039.db2.gz HMSXWJZYKOLOPZ-MNOVXSKESA-N 1 3 315.418 -0.604 20 0 DBADHO CCS(=O)(=O)NCC[NH2+]CCNC(=O)CN1CCC[C@@H]1C ZINC001133824036 830831611 /nfs/dbraw/zinc/83/16/11/830831611.db2.gz WJPQXMPJEVBKGH-LBPRGKRZSA-N 1 3 320.459 -0.884 20 0 DBADHO C[C@H]1CCCN1CC(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001133824163 830831816 /nfs/dbraw/zinc/83/18/16/830831816.db2.gz ZSINOROWHTZXHG-QWHCGFSZSA-N 1 3 306.414 -0.045 20 0 DBADHO C[C@@H]1CCCN1CC(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001133824116 830832226 /nfs/dbraw/zinc/83/22/26/830832226.db2.gz YBDCJJUXGHYHOA-GFCCVEGCSA-N 1 3 305.444 -0.389 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133845902 830837478 /nfs/dbraw/zinc/83/74/78/830837478.db2.gz PUWIEPJXUQUADC-UONOGXRCSA-N 1 3 317.430 -0.942 20 0 DBADHO C[C@@H]1CCN(CC(=O)NCC[NH2+]C[C@@H]2CCS(=O)(=O)C2)C1 ZINC001133845853 830837726 /nfs/dbraw/zinc/83/77/26/830837726.db2.gz OVMXMJFTCBGBQU-OLZOCXBDSA-N 1 3 317.455 -0.531 20 0 DBADHO COCCOC[C@H](O)C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1 ZINC001133845903 830837805 /nfs/dbraw/zinc/83/78/05/830837805.db2.gz PUWIEPJXUQUADC-ZIAGYGMSSA-N 1 3 317.430 -0.942 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)CN1CC[C@H](C)C1 ZINC001133846319 830837980 /nfs/dbraw/zinc/83/79/80/830837980.db2.gz YNYINVXHGVTIIV-ZDUSSCGKSA-N 1 3 314.430 -0.813 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001133849880 830838842 /nfs/dbraw/zinc/83/88/42/830838842.db2.gz GLXPVPGWGSPDBY-CQSZACIVSA-N 1 3 302.394 -0.349 20 0 DBADHO CNC(=O)CNCCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001133849880 830838852 /nfs/dbraw/zinc/83/88/52/830838852.db2.gz GLXPVPGWGSPDBY-CQSZACIVSA-N 1 3 302.394 -0.349 20 0 DBADHO COC[C@@H](O)C[NH2+]CCNC(=O)[C@]1(F)CCN(C(C)(C)C)C1 ZINC001133851096 830839436 /nfs/dbraw/zinc/83/94/36/830839436.db2.gz WQMPIADOZZJCPV-WFASDCNBSA-N 1 3 319.421 -0.088 20 0 DBADHO C[C@@H](C[NH2+]CCNC(=O)CN1CC[C@@H](C)C1)CS(C)(=O)=O ZINC001133849898 830839697 /nfs/dbraw/zinc/83/96/97/830839697.db2.gz GRZOZMQJHXCUDJ-OLZOCXBDSA-N 1 3 319.471 -0.285 20 0 DBADHO COC[C@@H](O)C[NH2+]CCNC(=O)[C@@]1(F)CCN(C(C)(C)C)C1 ZINC001133851095 830839959 /nfs/dbraw/zinc/83/99/59/830839959.db2.gz WQMPIADOZZJCPV-SWLSCSKDSA-N 1 3 319.421 -0.088 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869667 830843996 /nfs/dbraw/zinc/84/39/96/830843996.db2.gz ISBDHBIPVAPZCK-OLZOCXBDSA-N 1 3 314.430 -0.957 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133869667 830844006 /nfs/dbraw/zinc/84/40/06/830844006.db2.gz ISBDHBIPVAPZCK-OLZOCXBDSA-N 1 3 314.430 -0.957 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCCS(=O)(=O)C1)N(C)C ZINC001133965663 830866917 /nfs/dbraw/zinc/86/69/17/830866917.db2.gz DJXGEVCNZIMZBQ-STQMWFEESA-N 1 3 319.471 -0.143 20 0 DBADHO CC[C@@H](C(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001133966056 830867416 /nfs/dbraw/zinc/86/74/16/830867416.db2.gz VSIZKZOZUSEZRK-RYUDHWBXSA-N 1 3 305.444 -0.533 20 0 DBADHO CCNC(=O)CNCCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134058682 830885024 /nfs/dbraw/zinc/88/50/24/830885024.db2.gz YTOFKYHUERJPOB-CYBMUJFWSA-N 1 3 314.430 -0.671 20 0 DBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134762580 830974601 /nfs/dbraw/zinc/97/46/01/830974601.db2.gz CLFRTWQQQIXTHA-CHWSQXEVSA-N 1 3 324.425 -0.240 20 0 DBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCN[C@@H]1CCC(=O)NC1=O ZINC001134762580 830974604 /nfs/dbraw/zinc/97/46/04/830974604.db2.gz CLFRTWQQQIXTHA-CHWSQXEVSA-N 1 3 324.425 -0.240 20 0 DBADHO C[C@@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCCCC1 ZINC001134756678 830974681 /nfs/dbraw/zinc/97/46/81/830974681.db2.gz IVNUITJTBYFPBW-STQMWFEESA-N 1 3 324.425 -0.238 20 0 DBADHO C[NH+]1CCC(CC(=O)NCCNCC(=O)NCC2CC2)CC1 ZINC001134776690 830977147 /nfs/dbraw/zinc/97/71/47/830977147.db2.gz WBBGJBBFJXJPQR-UHFFFAOYSA-N 1 3 310.442 -0.050 20 0 DBADHO CCN(C)C(=O)CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114602 831011295 /nfs/dbraw/zinc/01/12/95/831011295.db2.gz JKIAFWVTDSNNIN-UHFFFAOYSA-N 1 3 324.429 -0.758 20 0 DBADHO Cn1nccc1CNCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114402 831011356 /nfs/dbraw/zinc/01/13/56/831011356.db2.gz CCHAGSFDUOBJIB-UHFFFAOYSA-N 1 3 319.413 -0.302 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC001135511636 831079984 /nfs/dbraw/zinc/07/99/84/831079984.db2.gz WNDCXEHTPKLOGL-UONOGXRCSA-N 1 3 319.446 -0.554 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+][C@H](C)C(=O)NCCCOC ZINC001135513497 831080016 /nfs/dbraw/zinc/08/00/16/831080016.db2.gz POMGHHYYXIUAQE-CYBMUJFWSA-N 1 3 316.446 -0.425 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CC1(CS(C)(=O)=O)CC1 ZINC001135511561 831080736 /nfs/dbraw/zinc/08/07/36/831080736.db2.gz SVIIWRXKVPQMHR-UHFFFAOYSA-N 1 3 319.471 -0.141 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]CC[C@@H]1CCS(=O)(=O)C1 ZINC001135511555 831080748 /nfs/dbraw/zinc/08/07/48/831080748.db2.gz SNYXBKSEGRVJTC-CYBMUJFWSA-N 1 3 319.471 -0.141 20 0 DBADHO CCN(CC)CC(=O)NCC[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001135511587 831080971 /nfs/dbraw/zinc/08/09/71/831080971.db2.gz ULDSFJWPZBJWKD-LBPRGKRZSA-N 1 3 305.444 -0.531 20 0 DBADHO CN1CC[C@@H](NCCNC(=O)COC2CC[NH+](C)CC2)C1=O ZINC001135963550 831141757 /nfs/dbraw/zinc/14/17/57/831141757.db2.gz SMZBCMRCBPHVLK-CYBMUJFWSA-N 1 3 312.414 -0.966 20 0 DBADHO CC[N@H+](C)CCC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001146718894 831292100 /nfs/dbraw/zinc/29/21/00/831292100.db2.gz KGOMHFCWIHHHAQ-UHFFFAOYSA-N 1 3 312.336 -0.288 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCCNCC(=O)NCC(F)(F)F ZINC001146718894 831292107 /nfs/dbraw/zinc/29/21/07/831292107.db2.gz KGOMHFCWIHHHAQ-UHFFFAOYSA-N 1 3 312.336 -0.288 20 0 DBADHO CC(C)[C@H](C)NC(=O)CNCCNC(=O)COCC[NH+](C)C ZINC001147842129 831411213 /nfs/dbraw/zinc/41/12/13/831411213.db2.gz OGGRUFPVRALREY-ZDUSSCGKSA-N 1 3 316.446 -0.569 20 0 DBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NC1CCCC1 ZINC001147848273 831411899 /nfs/dbraw/zinc/41/18/99/831411899.db2.gz JONOYNBSAPZAHF-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO C[NH+](C)CCOCC(=O)NCCNCC(=O)NCC(C)(C)C ZINC001147893958 831415875 /nfs/dbraw/zinc/41/58/75/831415875.db2.gz VWUSGYZUFHAFPQ-UHFFFAOYSA-N 1 3 316.446 -0.567 20 0 DBADHO CC(C)N(C)C(=O)[C@@H](C)NCCNC(=O)COCC[NH+](C)C ZINC001147893395 831415900 /nfs/dbraw/zinc/41/59/00/831415900.db2.gz PEDADQVACQXZHN-CYBMUJFWSA-N 1 3 316.446 -0.474 20 0 DBADHO CN(CC1CC1)C(=O)CNCCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970335 831420718 /nfs/dbraw/zinc/42/07/18/831420718.db2.gz HZALIONXGXSLJS-UHFFFAOYSA-N 1 3 308.426 -0.344 20 0 DBADHO C[NH+](C)CCCCC(=O)NCCNCC(=O)N1CCOCC1 ZINC001148359798 831447285 /nfs/dbraw/zinc/44/72/85/831447285.db2.gz FAHQJZVVFCCYEN-UHFFFAOYSA-N 1 3 314.430 -0.717 20 0 DBADHO COCCCNC(=O)CNCCNC(=O)CCCC[NH+](C)C ZINC001148359874 831447766 /nfs/dbraw/zinc/44/77/66/831447766.db2.gz GAWNWBQBVYYOIW-UHFFFAOYSA-N 1 3 316.446 -0.423 20 0 DBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@H+](C[C@H](O)COC)C2 ZINC001148469887 831456835 /nfs/dbraw/zinc/45/68/35/831456835.db2.gz ZEZAFALGSPZAHT-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO CCN(CC)CC(=O)N1CC2(C1)CC[N@@H+](C[C@H](O)COC)C2 ZINC001148469887 831456841 /nfs/dbraw/zinc/45/68/41/831456841.db2.gz ZEZAFALGSPZAHT-AWEZNQCLSA-N 1 3 313.442 -0.130 20 0 DBADHO CCC[N@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001148577888 831463436 /nfs/dbraw/zinc/46/34/36/831463436.db2.gz HYZPGPUEKNKTKC-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO CCC[N@@H+](C)CCC(=O)NCCN[C@H](C)C(=O)NC(=O)NC ZINC001148577888 831463439 /nfs/dbraw/zinc/46/34/39/831463439.db2.gz HYZPGPUEKNKTKC-LLVKDONJSA-N 1 3 315.418 -0.732 20 0 DBADHO CCCN(C)CC(=O)NCC[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC001148638785 831468140 /nfs/dbraw/zinc/46/81/40/831468140.db2.gz RLDXCASSDNKRNO-NSHDSACASA-N 1 3 315.418 -0.732 20 0 DBADHO Cc1[nH]cnc1CC(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001149124918 831498425 /nfs/dbraw/zinc/49/84/25/831498425.db2.gz XIJWCXZHVUCUID-LBPRGKRZSA-N 1 3 307.398 -0.117 20 0 DBADHO CC[NH+](CC)CCN(C(=N)N)C(=O)C1=CN2NC=CC=C2N1 ZINC001149448965 831534708 /nfs/dbraw/zinc/53/47/08/831534708.db2.gz SELVADHFDWTBQQ-UHFFFAOYSA-N 1 3 305.386 -0.330 20 0 DBADHO C[NH+](C)CCCC(=O)NC[C@H]1CN(CCCO)CCCO1 ZINC001150194377 831597674 /nfs/dbraw/zinc/59/76/74/831597674.db2.gz SNSAMJNJEQXDAB-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1)N(C)C ZINC001150350226 831609440 /nfs/dbraw/zinc/60/94/40/831609440.db2.gz BQLFMJGMSSTWLH-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1)N(C)C ZINC001150350226 831609439 /nfs/dbraw/zinc/60/94/39/831609439.db2.gz BQLFMJGMSSTWLH-KGLIPLIRSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1C[N@H+](C[C@H](C)O)CCCO1 ZINC001150626799 831635448 /nfs/dbraw/zinc/63/54/48/831635448.db2.gz ZBPHFIHUOCWELP-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)NC[C@H]1C[N@@H+](C[C@H](C)O)CCCO1 ZINC001150626799 831635449 /nfs/dbraw/zinc/63/54/49/831635449.db2.gz ZBPHFIHUOCWELP-KBPBESRZSA-N 1 3 301.431 -0.084 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@H+](C[C@@H](C)O)CCCO1 ZINC001150777531 831646198 /nfs/dbraw/zinc/64/61/98/831646198.db2.gz FZRYJYASLFDCOS-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@@H]1C[N@@H+](C[C@@H](C)O)CCCO1 ZINC001150777531 831646200 /nfs/dbraw/zinc/64/62/00/831646200.db2.gz FZRYJYASLFDCOS-ZIAGYGMSSA-N 1 3 301.431 -0.086 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001151048491 831660084 /nfs/dbraw/zinc/66/00/84/831660084.db2.gz BQEVKLSKMMAOPT-AWEZNQCLSA-N 1 3 319.409 -0.645 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NCc2cccnc2)C1 ZINC001151048491 831660086 /nfs/dbraw/zinc/66/00/86/831660086.db2.gz BQEVKLSKMMAOPT-AWEZNQCLSA-N 1 3 319.409 -0.645 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(C2CC2)C2CC2)C1 ZINC001151049336 831660675 /nfs/dbraw/zinc/66/06/75/831660675.db2.gz MHJZYANFQXYHMK-AWEZNQCLSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NCCNCC(=O)NC(C2CC2)C2CC2)C1 ZINC001151049336 831660677 /nfs/dbraw/zinc/66/06/77/831660677.db2.gz MHJZYANFQXYHMK-AWEZNQCLSA-N 1 3 322.453 -0.051 20 0 DBADHO CN(Cc1ccco1)C(=O)CNCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065474 831661849 /nfs/dbraw/zinc/66/18/49/831661849.db2.gz KASWOENZDHURQG-ZDUSSCGKSA-N 1 3 322.409 -0.105 20 0 DBADHO CN(Cc1ccco1)C(=O)CNCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151065474 831661852 /nfs/dbraw/zinc/66/18/52/831661852.db2.gz KASWOENZDHURQG-ZDUSSCGKSA-N 1 3 322.409 -0.105 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@H+](C)C1)C(=O)NCC(F)(F)F ZINC001151074095 831662956 /nfs/dbraw/zinc/66/29/56/831662956.db2.gz VCJLVJWUUCPPJQ-ZJUUUORDSA-N 1 3 324.347 -0.289 20 0 DBADHO C[C@@H](NCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(=O)NCC(F)(F)F ZINC001151074095 831662959 /nfs/dbraw/zinc/66/29/59/831662959.db2.gz VCJLVJWUUCPPJQ-ZJUUUORDSA-N 1 3 324.347 -0.289 20 0 DBADHO C[NH+](C)Cc1ccccc1C(=O)NCCN[C@@H]1CCNC1=O ZINC001152393172 831746143 /nfs/dbraw/zinc/74/61/43/831746143.db2.gz FQFCYKBKLYDKSG-CQSZACIVSA-N 1 3 304.394 -0.044 20 0 DBADHO CC(=O)NCCOCC[NH2+]CCNC(=O)CN(C)C(C)C ZINC001152426859 831750356 /nfs/dbraw/zinc/75/03/56/831750356.db2.gz OYNCOXUFXBOTOG-UHFFFAOYSA-N 1 3 302.419 -0.815 20 0 DBADHO CCN1CCCC[C@H]1C(=O)NCC[NH2+]CCN1CCNC1=O ZINC001152457975 831753445 /nfs/dbraw/zinc/75/34/45/831753445.db2.gz JZEWJOLYWOGFQB-ZDUSSCGKSA-N 1 3 311.430 -0.408 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001152479826 831753906 /nfs/dbraw/zinc/75/39/06/831753906.db2.gz KQMNNGAVALOOGW-LSDHHAIUSA-N 1 3 323.441 -0.176 20 0 DBADHO CC(C)[C@@H](C(=O)NCCN[C@H]1CCC(=O)NC1=O)[NH+]1CCCC1 ZINC001152480511 831754459 /nfs/dbraw/zinc/75/44/59/831754459.db2.gz VTWSRDIBCKEKBY-JSGCOSHPSA-N 1 3 324.425 -0.382 20 0 DBADHO [NH3+]CC1CN([C@H]2CCCN(c3cc4c(nn3)CCNC4)C2)C1 ZINC001155375916 831929952 /nfs/dbraw/zinc/92/99/52/831929952.db2.gz IIMQVASMGXBLRN-AWEZNQCLSA-N 1 3 302.426 -0.018 20 0 DBADHO c1nc(NCc2nnn3c2C[NH2+]CCC3)nc2c1CNCC2 ZINC001155394490 831930898 /nfs/dbraw/zinc/93/08/98/831930898.db2.gz XGHAXCRZGRXOLI-UHFFFAOYSA-N 1 3 300.370 -0.181 20 0 DBADHO Cc1cc(N(C(=N)N)C(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)n[nH]1 ZINC001157439342 832042468 /nfs/dbraw/zinc/04/24/68/832042468.db2.gz FVGJYYWLCWONBA-JTQLQIEISA-N 1 3 305.386 -0.181 20 0 DBADHO CS(=O)(=O)c1nc2c(c(-n3cc(CN)cn3)n1)CC[NH2+]CC2 ZINC001157470477 832045158 /nfs/dbraw/zinc/04/51/58/832045158.db2.gz ZEWVEVNMVSXHSD-UHFFFAOYSA-N 1 3 322.394 -0.787 20 0 DBADHO N[C@H](C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC001157497035 832047682 /nfs/dbraw/zinc/04/76/82/832047682.db2.gz NQRZNADCYKUJBT-KGLIPLIRSA-N 1 3 324.425 -0.837 20 0 DBADHO N[C@H]1CN(C(=O)[C@H]2Cn3cnnc3C23CC[NH2+]CC3)C[C@H]1F ZINC001157530246 832050586 /nfs/dbraw/zinc/05/05/86/832050586.db2.gz DFSZACHEIXTDFA-MXWKQRLJSA-N 1 3 308.361 -0.963 20 0 DBADHO CN(C[C@H]1C[NH2+]CCO1)C(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1 ZINC001157720331 832058385 /nfs/dbraw/zinc/05/83/85/832058385.db2.gz GQPBCXXMFNZGRC-KGLIPLIRSA-N 1 3 320.393 -0.898 20 0 DBADHO CN(C[C@H]1CNCCO1)C(=O)C1([NH3+])CCC2(CC1)OCCO2 ZINC001157721268 832058458 /nfs/dbraw/zinc/05/84/58/832058458.db2.gz WJTQHFYQXRWUHT-GFCCVEGCSA-N 1 3 313.398 -0.552 20 0 DBADHO CN(C[C@H]1CNCCO1)C(=O)C1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001157721462 832058559 /nfs/dbraw/zinc/05/85/59/832058559.db2.gz XZVZOBJOMOLZKZ-HUUCEWRRSA-N 1 3 310.442 -0.493 20 0 DBADHO C[C@@H]1C(=O)Nc2cnc(NC(=[NH2+])N3CCN(C)CC3)nc2N1C ZINC001157914869 832072790 /nfs/dbraw/zinc/07/27/90/832072790.db2.gz GDKTWJCNFZCIOQ-SECBINFHSA-N 1 3 318.385 -0.153 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001157944238 832076668 /nfs/dbraw/zinc/07/66/68/832076668.db2.gz ITQJGGLXQMGNJM-YDHLFZDLSA-N 1 3 301.431 -0.363 20 0 DBADHO C[NH+](C)CCCC[C@H](N)C(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157945867 832078364 /nfs/dbraw/zinc/07/83/64/832078364.db2.gz LWXLCWQSAFRCMY-GUTXKFCHSA-N 1 3 301.431 -0.363 20 0 DBADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001158013029 832083176 /nfs/dbraw/zinc/08/31/76/832083176.db2.gz BEEOJVVRPFOIKC-OLZOCXBDSA-N 1 3 313.442 -0.159 20 0 DBADHO CC(C)(C)N(C[C@@H](O)CO)C(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1 ZINC001158013029 832083178 /nfs/dbraw/zinc/08/31/78/832083178.db2.gz BEEOJVVRPFOIKC-OLZOCXBDSA-N 1 3 313.442 -0.159 20 0 DBADHO N[C@H](C(=O)N1CCOC2(CC[NH2+]CC2)C1)C1CCC(O)CC1 ZINC001158076597 832087055 /nfs/dbraw/zinc/08/70/55/832087055.db2.gz LFFHKUOGNFHKMI-RUXDESIVSA-N 1 3 311.426 -0.154 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)N2CC3CC2(C[NH3+])C3)COC1(C)C ZINC001158191691 832098306 /nfs/dbraw/zinc/09/83/06/832098306.db2.gz XJQORDJXUGLGDJ-PAPNWUEJSA-N 1 3 310.398 -0.753 20 0 DBADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158485856 832115610 /nfs/dbraw/zinc/11/56/10/832115610.db2.gz AMAPMNSTDFKMON-UONOGXRCSA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccnc1CNCCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158485856 832115616 /nfs/dbraw/zinc/11/56/16/832115616.db2.gz AMAPMNSTDFKMON-UONOGXRCSA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158485854 832115657 /nfs/dbraw/zinc/11/56/57/832115657.db2.gz AMAPMNSTDFKMON-KBPBESRZSA-N 1 3 321.425 -0.121 20 0 DBADHO Cn1ccnc1CNCCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158485854 832115661 /nfs/dbraw/zinc/11/56/61/832115661.db2.gz AMAPMNSTDFKMON-KBPBESRZSA-N 1 3 321.425 -0.121 20 0 DBADHO CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001158533236 832120782 /nfs/dbraw/zinc/12/07/82/832120782.db2.gz IXGPQRWKVGXYOX-UAXWRAGISA-N 1 3 307.394 -0.260 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158568688 832122531 /nfs/dbraw/zinc/12/25/31/832122531.db2.gz QSOPCGYFFKYRJI-VWYCJHECSA-N 1 3 315.393 -0.702 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158578140 832122613 /nfs/dbraw/zinc/12/26/13/832122613.db2.gz KQEMKELRGSMBPD-DAADQSANSA-N 1 3 305.419 -0.382 20 0 DBADHO Cn1cncc1C[C@H](N)C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158567219 832122689 /nfs/dbraw/zinc/12/26/89/832122689.db2.gz GRERTIFRJGMCKV-WXHSDQCUSA-N 1 3 309.389 -0.175 20 0 DBADHO CN1CCO[C@H]2CN(C(=O)[C@H]3CCC4(CC[NH2+]CC4)N3)C[C@H]21 ZINC001158802950 832137742 /nfs/dbraw/zinc/13/77/42/832137742.db2.gz CJIPITSCJLUKOX-MCIONIFRSA-N 1 3 308.426 -0.598 20 0 DBADHO CN1CCO[C@H]2CN(C(=O)[C@H]3CCC4(CCNCC4)[NH2+]3)C[C@H]21 ZINC001158802950 832137747 /nfs/dbraw/zinc/13/77/47/832137747.db2.gz CJIPITSCJLUKOX-MCIONIFRSA-N 1 3 308.426 -0.598 20 0 DBADHO COC[C@H]1CN(C(=O)[C@@H](N)C2CC[NH2+]CC2)Cc2cn(C)nc21 ZINC001159018960 832152321 /nfs/dbraw/zinc/15/23/21/832152321.db2.gz NZLHJPRKDLICTO-KGLIPLIRSA-N 1 3 321.425 -0.181 20 0 DBADHO COC[C@@H]1CN(C(=O)[C@H](N)C2CC[NH2+]CC2)Cc2cn(C)nc21 ZINC001159018961 832152498 /nfs/dbraw/zinc/15/24/98/832152498.db2.gz NZLHJPRKDLICTO-UONOGXRCSA-N 1 3 321.425 -0.181 20 0 DBADHO CN(C)CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001270980604 832602410 /nfs/dbraw/zinc/60/24/10/832602410.db2.gz VERIFDVKLPZSGF-RRFJBIMHSA-N 1 3 310.442 -0.589 20 0 DBADHO CN(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)[C@@H]2C1 ZINC001270980604 832602412 /nfs/dbraw/zinc/60/24/12/832602412.db2.gz VERIFDVKLPZSGF-RRFJBIMHSA-N 1 3 310.442 -0.589 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271210715 832639347 /nfs/dbraw/zinc/63/93/47/832639347.db2.gz ZVNZKBAWWFNOTG-VXGBXAGGSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@H](CNCCS(C)(=O)=O)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271210715 832639351 /nfs/dbraw/zinc/63/93/51/832639351.db2.gz ZVNZKBAWWFNOTG-VXGBXAGGSA-N 1 3 305.444 -0.581 20 0 DBADHO C[C@@H]1CN(C(=O)Cc2c[nH]cn2)C[C@@H]1C[NH2+]CCOCCO ZINC001271673717 832692666 /nfs/dbraw/zinc/69/26/66/832692666.db2.gz LHBOYKIIPJFONJ-OLZOCXBDSA-N 1 3 310.398 -0.355 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001272295207 832768904 /nfs/dbraw/zinc/76/89/04/832768904.db2.gz MKEDFSBFJJFRHM-AWEZNQCLSA-N 1 3 323.441 -0.328 20 0 DBADHO Cn1nccc1CNCCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001272295207 832768907 /nfs/dbraw/zinc/76/89/07/832768907.db2.gz MKEDFSBFJJFRHM-AWEZNQCLSA-N 1 3 323.441 -0.328 20 0 DBADHO CC(C)N1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cncn1 ZINC001272414744 832783736 /nfs/dbraw/zinc/78/37/36/832783736.db2.gz SHNQFGFFFVPGNW-ZIAGYGMSSA-N 1 3 324.429 -0.782 20 0 DBADHO CN(C)CCN1C[C@]2(CC[N@H+](C[C@@H]3CCOC3)C2)OCC1=O ZINC001272508932 832792182 /nfs/dbraw/zinc/79/21/82/832792182.db2.gz RJGPNSNUMSGWGQ-GOEBONIOSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1C[C@]2(CC[N@@H+](C[C@@H]3CCOC3)C2)OCC1=O ZINC001272508932 832792186 /nfs/dbraw/zinc/79/21/86/832792186.db2.gz RJGPNSNUMSGWGQ-GOEBONIOSA-N 1 3 311.426 -0.112 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001272524359 832794255 /nfs/dbraw/zinc/79/42/55/832794255.db2.gz IKYFHIUOGSNLKS-BBRMVZONSA-N 1 3 308.426 -0.249 20 0 DBADHO CN(C)CCN1CC[C@]2(CC[N@@H+](C[C@@H]3CCC(=O)N3)C2)C1=O ZINC001272524359 832794259 /nfs/dbraw/zinc/79/42/59/832794259.db2.gz IKYFHIUOGSNLKS-BBRMVZONSA-N 1 3 308.426 -0.249 20 0 DBADHO CCN1CC[C@@]2(CN(C(=O)[C@@H]3C[NH2+]CC34CNC4)C[C@@H]2C)C1=O ZINC001159318038 832805379 /nfs/dbraw/zinc/80/53/79/832805379.db2.gz IMVVRHHOMOZEAZ-DCGLDWPTSA-N 1 3 320.437 -0.488 20 0 DBADHO CN(C)C(=O)[C@@H]1CC12CCN(C(=O)[C@H]1C[NH2+]CC13CNC3)CC2 ZINC001159863290 832853306 /nfs/dbraw/zinc/85/33/06/832853306.db2.gz RNVSXXCXUSAMDM-QWHCGFSZSA-N 1 3 320.437 -0.488 20 0 DBADHO O=C([C@H]1COC2(CNC2)CN1)N1CCCC[C@H]1C[NH+]1CCCC1 ZINC001160460757 832907690 /nfs/dbraw/zinc/90/76/90/832907690.db2.gz FHFAWZPZWYKUOW-LSDHHAIUSA-N 1 3 322.453 -0.206 20 0 DBADHO CC(C)[C@H](C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1)N(C)C ZINC001273314583 832911508 /nfs/dbraw/zinc/91/15/08/832911508.db2.gz BFWQKGZWUSFAOD-UONOGXRCSA-N 1 3 301.431 -0.228 20 0 DBADHO C[NH+](C)CCCCC(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001273343352 832914372 /nfs/dbraw/zinc/91/43/72/832914372.db2.gz WMDDQOQRJKBEGY-GFCCVEGCSA-N 1 3 300.403 -0.979 20 0 DBADHO Cc1cc2n(n1)c(=O)cc(C)n2C(=O)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001160563647 832917068 /nfs/dbraw/zinc/91/70/68/832917068.db2.gz FNHCSTCKVPVCTM-MLGOLLRUSA-N 1 3 315.377 -0.048 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573519 832918570 /nfs/dbraw/zinc/91/85/70/832918570.db2.gz OITINCHFKNMBKT-CYBMUJFWSA-N 1 3 302.378 -0.072 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N1CC2(C1)CN(c1ccccc1)C2=O ZINC001160573521 832918619 /nfs/dbraw/zinc/91/86/19/832918619.db2.gz OITINCHFKNMBKT-ZDUSSCGKSA-N 1 3 302.378 -0.072 20 0 DBADHO CC1(C)CN(C2CN(C(=O)[C@H]3C[NH2+]CC34CNC4)C2)CCO1 ZINC001160663109 832931882 /nfs/dbraw/zinc/93/18/82/832931882.db2.gz IGFGUSSGSCOTIN-CYBMUJFWSA-N 1 3 308.426 -0.883 20 0 DBADHO N[C@@H]1C[NH2+][C@H](C(=O)N2CCN(c3cccc4n[nH]cc43)CC2)C1 ZINC001160667607 832932537 /nfs/dbraw/zinc/93/25/37/832932537.db2.gz KBFDSWIWCJFDOY-FZMZJTMJSA-N 1 3 314.393 -0.099 20 0 DBADHO O=C([C@H]1C[NH2+]CC12CNC2)N1CC[C@@]2(C1)CC(F)(F)CO2 ZINC001160768949 832941268 /nfs/dbraw/zinc/94/12/68/832941268.db2.gz GRRLBGMHAIFYOB-MFKMUULPSA-N 1 3 301.337 -0.178 20 0 DBADHO CN(C)C[C@@H]1COCCN1C(=O)[C@@H]1CCCN([C@@H]2CC[NH2+]C2)C1 ZINC001160837613 832948657 /nfs/dbraw/zinc/94/86/57/832948657.db2.gz CJFNGFLYPILBRV-BZUAXINKSA-N 1 3 324.469 -0.151 20 0 DBADHO CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCOC[C@H]1C[NH+](C)C ZINC001160837632 832948964 /nfs/dbraw/zinc/94/89/64/832948964.db2.gz CSAMVYDJZLDJLL-SCRDCRAPSA-N 1 3 314.430 -0.735 20 0 DBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC001160849647 832950621 /nfs/dbraw/zinc/95/06/21/832950621.db2.gz UAMZQRNMCDQUHS-AWEZNQCLSA-N 1 3 320.441 -0.134 20 0 DBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)N1CCC(c2cnc[nH]2)CC1 ZINC001160849647 832950630 /nfs/dbraw/zinc/95/06/30/832950630.db2.gz UAMZQRNMCDQUHS-AWEZNQCLSA-N 1 3 320.441 -0.134 20 0 DBADHO CC[C@H](C(=O)NCCC[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001160883785 832957277 /nfs/dbraw/zinc/95/72/77/832957277.db2.gz VBWNCBWYHFIOOP-CYBMUJFWSA-N 1 3 314.430 -0.719 20 0 DBADHO N[C@H](C(=O)N(c1ncccn1)C1C[NH2+]C1)C1CCC(O)CC1 ZINC001160915680 832960281 /nfs/dbraw/zinc/96/02/81/832960281.db2.gz JEMDAEAFPIYFGE-GDKBPFBDSA-N 1 3 305.382 -0.340 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)N1CCN(C(=O)c2ccncc2)CC1 ZINC001160936560 832961076 /nfs/dbraw/zinc/96/10/76/832961076.db2.gz LHVKTXTVGINMKS-CYBMUJFWSA-N 1 3 305.382 -0.568 20 0 DBADHO C[NH+](C)C[C@@]12C[C@@H]1CN(C(=O)CN1CCCC[C@H](N)C1=O)C2 ZINC001160962880 832962484 /nfs/dbraw/zinc/96/24/84/832962484.db2.gz GPYWAVAPOINDSD-DVOMOZLQSA-N 1 3 308.426 -0.264 20 0 DBADHO O=C([C@H]1CCC2(CC[NH2+]CC2)N1)N1CCC2(CNC(=O)N2)CC1 ZINC001161082057 832972067 /nfs/dbraw/zinc/97/20/67/832972067.db2.gz NKAYDYQQWDXUIF-GFCCVEGCSA-N 1 3 321.425 -0.465 20 0 DBADHO O=C([C@H]1CCC2(CCNCC2)[NH2+]1)N1CCC2(CNC(=O)N2)CC1 ZINC001161082057 832972071 /nfs/dbraw/zinc/97/20/71/832972071.db2.gz NKAYDYQQWDXUIF-GFCCVEGCSA-N 1 3 321.425 -0.465 20 0 DBADHO COC(=O)[C@@H]1CCCN(C(=O)[C@@H](N)CSCC[NH3+])[C@@H]1C ZINC001161117334 832981270 /nfs/dbraw/zinc/98/12/70/832981270.db2.gz GXWRUBGVCVVYGP-MXWKQRLJSA-N 1 3 303.428 -0.194 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@](CO)([NH2+]CCCO)C1 ZINC001273928797 832987287 /nfs/dbraw/zinc/98/72/87/832987287.db2.gz FFROXMTXVDJCSM-HNNXBMFYSA-N 1 3 301.431 -0.346 20 0 DBADHO CNC(=O)[C@H](C)N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001179929609 833563663 /nfs/dbraw/zinc/56/36/63/833563663.db2.gz RCUCKXLHYHNGOC-AVGNSLFASA-N 1 3 308.426 -0.204 20 0 DBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180124701 833570684 /nfs/dbraw/zinc/57/06/84/833570684.db2.gz NJJQEODJPDIZDA-XQQFMLRXSA-N 1 3 317.455 -0.438 20 0 DBADHO C[C@H]1[C@@H](NCCS(C)(=O)=O)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180124701 833570686 /nfs/dbraw/zinc/57/06/86/833570686.db2.gz NJJQEODJPDIZDA-XQQFMLRXSA-N 1 3 317.455 -0.438 20 0 DBADHO CN1CCC(O)(C(=O)N2CCO[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC001182032578 833652304 /nfs/dbraw/zinc/65/23/04/833652304.db2.gz IFJOYDFRSVZGQM-AWEZNQCLSA-N 1 3 311.426 -0.234 20 0 DBADHO CN1CCC(O)(C(=O)n2ccc([C@@H]3CCC[NH2+]3)nc2=N)CC1 ZINC001182032809 833652400 /nfs/dbraw/zinc/65/24/00/833652400.db2.gz IZPLXDSKAYFFHK-NSHDSACASA-N 1 3 305.382 -0.116 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C2)C1 ZINC001182629912 833684273 /nfs/dbraw/zinc/68/42/73/833684273.db2.gz ONKGJCZIPOGVPH-XJKCOSOUSA-N 1 3 310.442 -0.112 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC001185926448 833818589 /nfs/dbraw/zinc/81/85/89/833818589.db2.gz WTBZIMACYAGIOW-OCCSQVGLSA-N 1 3 318.381 -0.600 20 0 DBADHO CCN(CC)CC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001186453090 833850666 /nfs/dbraw/zinc/85/06/66/833850666.db2.gz WSZICZWOTFNHDD-HUUCEWRRSA-N 1 3 323.441 -0.224 20 0 DBADHO O=C(CN[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)NCC1CC1 ZINC001187122563 833904262 /nfs/dbraw/zinc/90/42/62/833904262.db2.gz WXIPPAHFELDYLE-CQSZACIVSA-N 1 3 320.437 -0.201 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC001187835143 833952405 /nfs/dbraw/zinc/95/24/05/833952405.db2.gz OCKKMLKAKBVLNC-HUUCEWRRSA-N 1 3 321.425 -0.470 20 0 DBADHO C[C@@H]([NH2+][C@@H]1CCN(C(=O)CN2CCCC2)C1)C(=O)NC1CC1 ZINC001187842960 833953235 /nfs/dbraw/zinc/95/32/35/833953235.db2.gz SSLWBZMGULSSOE-TZMCWYRMSA-N 1 3 308.426 -0.060 20 0 DBADHO O=C(CN1CCCC1)N1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC001187842871 833953260 /nfs/dbraw/zinc/95/32/60/833953260.db2.gz RAIKEPZJWSIHDV-CQSZACIVSA-N 1 3 308.426 -0.201 20 0 DBADHO C[C@@H]1Cc2nnc(C(N)=O)n2CCN1CC1CC[NH+](C)CC1 ZINC001277798267 833991364 /nfs/dbraw/zinc/99/13/64/833991364.db2.gz HUORRLDRPCVZOF-LLVKDONJSA-N 1 3 306.414 -0.035 20 0 DBADHO CC(C)[NH+]1CCC2(CC1)NC(=O)[C@H]1CN(CC(=O)N(C)C)C[C@@H]12 ZINC001277797584 833991487 /nfs/dbraw/zinc/99/14/87/833991487.db2.gz UICXZDWOQNSELB-KBPBESRZSA-N 1 3 322.453 -0.005 20 0 DBADHO CN(C)C(=O)CNC(=O)[C@]12C[C@H]1CCN2CC1CC[NH2+]CC1 ZINC001277821949 833995635 /nfs/dbraw/zinc/99/56/35/833995635.db2.gz PDANPSOAKAAISR-CJNGLKHVSA-N 1 3 308.426 -0.345 20 0 DBADHO CC(=O)NCC[N@@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277905694 834004443 /nfs/dbraw/zinc/00/44/43/834004443.db2.gz IQCCETWPPUDSOK-GASCZTMLSA-N 1 3 310.442 -0.146 20 0 DBADHO CC(=O)NCC[N@H+]1C[C@@H]2CCN(CC(=O)N(C)C)CC[C@@H]2C1 ZINC001277905694 834004453 /nfs/dbraw/zinc/00/44/53/834004453.db2.gz IQCCETWPPUDSOK-GASCZTMLSA-N 1 3 310.442 -0.146 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189898059 834124832 /nfs/dbraw/zinc/12/48/32/834124832.db2.gz CNGMUAHACHBYID-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001189898059 834124835 /nfs/dbraw/zinc/12/48/35/834124835.db2.gz CNGMUAHACHBYID-MELADBBJSA-N 1 3 308.426 -0.251 20 0 DBADHO Cn1ccnc1S(=O)(=O)NC[C@H]1CCC2(CCNCC2)[NH2+]1 ZINC001238244216 834349943 /nfs/dbraw/zinc/34/99/43/834349943.db2.gz YFNDLBANFPNZLA-LLVKDONJSA-N 1 3 313.427 -0.427 20 0 DBADHO Cn1ccnc1S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001238244216 834349953 /nfs/dbraw/zinc/34/99/53/834349953.db2.gz YFNDLBANFPNZLA-LLVKDONJSA-N 1 3 313.427 -0.427 20 0 DBADHO Cn1ccc(S(=O)(=O)NC[C@@H]2CCC3(CCNCC3)[NH2+]2)n1 ZINC001238241007 834350710 /nfs/dbraw/zinc/35/07/10/834350710.db2.gz IBBOHNBBXGRUQQ-NSHDSACASA-N 1 3 313.427 -0.427 20 0 DBADHO O=S(=O)(CC1CC[NH2+]CC1)NCC1CCN(CCO)CC1 ZINC001238523940 834356745 /nfs/dbraw/zinc/35/67/45/834356745.db2.gz WIVMCERUAKDSNB-UHFFFAOYSA-N 1 3 319.471 -0.390 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001192386173 834366863 /nfs/dbraw/zinc/36/68/63/834366863.db2.gz OPWCZHKEQVQBRV-RDBSUJKOSA-N 1 3 301.431 -0.133 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1)N(C)C ZINC001192386173 834366874 /nfs/dbraw/zinc/36/68/74/834366874.db2.gz OPWCZHKEQVQBRV-RDBSUJKOSA-N 1 3 301.431 -0.133 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001192386171 834368302 /nfs/dbraw/zinc/36/83/02/834368302.db2.gz OPWCZHKEQVQBRV-MJBXVCDLSA-N 1 3 301.431 -0.133 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1)N(C)C ZINC001192386171 834368312 /nfs/dbraw/zinc/36/83/12/834368312.db2.gz OPWCZHKEQVQBRV-MJBXVCDLSA-N 1 3 301.431 -0.133 20 0 DBADHO CCOC(=O)[C@H]1NC[C@@H]2[C@H]([NH2+]C[C@@]3(O)CCCNC3)CC[C@@H]21 ZINC001245978105 834404830 /nfs/dbraw/zinc/40/48/30/834404830.db2.gz IYSLNLBCRQHNQF-JHZZJYKESA-N 1 3 311.426 -0.380 20 0 DBADHO O[C@@H](CN1CCNC[C@@H]1C(F)(F)F)CC1(O)CC[NH2+]CC1 ZINC001246059966 834414351 /nfs/dbraw/zinc/41/43/51/834414351.db2.gz RNCDQJRFZGRUQM-GHMZBOCLSA-N 1 3 311.348 -0.312 20 0 DBADHO CC[C@]1(C(=O)OC)C[C@H]([NH2+]C[C@]2(O)CCNC[C@@H]2F)CN1 ZINC001246088901 834417191 /nfs/dbraw/zinc/41/71/91/834417191.db2.gz MAEVEVRZFYFAAJ-CDGCEXEKSA-N 1 3 303.378 -0.678 20 0 DBADHO O=C([C@@H]1C[C@@H](N[C@H]2CCNC[C@@H]2F)C[NH2+]1)N1CCSC1 ZINC001246092031 834417277 /nfs/dbraw/zinc/41/72/77/834417277.db2.gz MKMIVOIMXTWSHD-RHYQMDGZSA-N 1 3 302.419 -0.461 20 0 DBADHO COC(=O)[C@H](O)[C@@H](N[C@@H]1CCNC2(C[NH2+]C2)C1)c1ccccc1 ZINC001246196136 834423018 /nfs/dbraw/zinc/42/30/18/834423018.db2.gz MQYRACUYVIPEMK-QLFBSQMISA-N 1 3 319.405 -0.055 20 0 DBADHO COC(=O)[C@@H]1C[C@H](NC[C@H]2O[C@H](C(C)C)O[C@@H]2C[NH3+])CN1 ZINC001246286197 834426801 /nfs/dbraw/zinc/42/68/01/834426801.db2.gz IKDKBYQXEQVKON-YCGPCKTQSA-N 1 3 301.387 -0.796 20 0 DBADHO CC[C@@]1(C(=O)OC)C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246406199 834434205 /nfs/dbraw/zinc/43/42/05/834434205.db2.gz RXSVXUQZABUJQR-MJVIPROJSA-N 1 3 300.403 -0.757 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CCN1 ZINC001246414486 834434395 /nfs/dbraw/zinc/43/43/95/834434395.db2.gz ICIYNUVBABIXGE-WOPDTQHZSA-N 1 3 300.403 -0.757 20 0 DBADHO CC[C@]1(C(=O)OC)C[C@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246406197 834434464 /nfs/dbraw/zinc/43/44/64/834434464.db2.gz RXSVXUQZABUJQR-COPLHBTASA-N 1 3 300.403 -0.757 20 0 DBADHO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[C@H](N)C(N)=O)CN1 ZINC001246415889 834434601 /nfs/dbraw/zinc/43/46/01/834434601.db2.gz LPJVXSGRMUGERR-WOPDTQHZSA-N 1 3 300.403 -0.757 20 0 DBADHO O[C@@]1(C(F)(F)F)COCCN([C@H]2CCNC3(C[NH2+]C3)C2)C1 ZINC001246577544 834440682 /nfs/dbraw/zinc/44/06/82/834440682.db2.gz RYMQQPXKGGPSSA-CMPLNLGQSA-N 1 3 309.332 -0.294 20 0 DBADHO O=C([C@@H]1C[C@H](N2CCNC[C@H](F)C2)C[NH2+]1)N1CCSC1 ZINC001246595768 834442458 /nfs/dbraw/zinc/44/24/58/834442458.db2.gz IGIKCHYABIUORZ-SRVKXCTJSA-N 1 3 302.419 -0.507 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1C1C[C@@H]2COC[C@H](C1)N2 ZINC001246675450 834446905 /nfs/dbraw/zinc/44/69/05/834446905.db2.gz YGXHNFVTQUNKJY-ZRGDOOIKSA-N 1 3 309.410 -0.269 20 0 DBADHO COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3[C@H]2CC[N@@H+]3CCN(C)C)CN1 ZINC001246750978 834452775 /nfs/dbraw/zinc/45/27/75/834452775.db2.gz WRABNTKSUQLOPL-CBBWQLFWSA-N 1 3 310.442 -0.400 20 0 DBADHO COC(=O)[C@@H]1C[C@@H](N2CC[C@H]3[C@H]2CC[N@H+]3CCN(C)C)CN1 ZINC001246750978 834452779 /nfs/dbraw/zinc/45/27/79/834452779.db2.gz WRABNTKSUQLOPL-CBBWQLFWSA-N 1 3 310.442 -0.400 20 0 DBADHO COCCCN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193016157 834453818 /nfs/dbraw/zinc/45/38/18/834453818.db2.gz SMGIORWXIDPGPK-RRFJBIMHSA-N 1 3 311.426 -0.474 20 0 DBADHO CCOC(=O)[C@@H]1C[C@@H](N2CCC[C@H](N3CC([NH3+])C3)C2)CCN1 ZINC001246871572 834459962 /nfs/dbraw/zinc/45/99/62/834459962.db2.gz NKALRDQKBIAOLE-KKUMJFAQSA-N 1 3 310.442 -0.223 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H](N2CCC[C@H](N3CC([NH3+])C3)C2)CCN1 ZINC001246871569 834460500 /nfs/dbraw/zinc/46/05/00/834460500.db2.gz NKALRDQKBIAOLE-ILXRZTDVSA-N 1 3 310.442 -0.223 20 0 DBADHO CCOC(=O)[C@@H]1C[C@H](N2CCC[C@@H](N3CC([NH3+])C3)C2)CCN1 ZINC001246871571 834460533 /nfs/dbraw/zinc/46/05/33/834460533.db2.gz NKALRDQKBIAOLE-KFWWJZLASA-N 1 3 310.442 -0.223 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCOC)C[C@H]2O)CC[N@@H+]1C ZINC001193085006 834460936 /nfs/dbraw/zinc/46/09/36/834460936.db2.gz GLMCKRGWXPMFHO-GBJTYRQASA-N 1 3 313.442 -0.086 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CCCOC)C[C@H]2O)CC[N@H+]1C ZINC001193085006 834460941 /nfs/dbraw/zinc/46/09/41/834460941.db2.gz GLMCKRGWXPMFHO-GBJTYRQASA-N 1 3 313.442 -0.086 20 0 DBADHO COC(=O)[C@@H]1CC[C@@H](N2CC[C@@H](N3CCC([NH3+])CC3)C2)CN1 ZINC001246976287 834465198 /nfs/dbraw/zinc/46/51/98/834465198.db2.gz NSEKAOMSMIPHFS-KFWWJZLASA-N 1 3 310.442 -0.223 20 0 DBADHO COC(=O)[C@H]1C[C@@H](N2CCC(N3CCC([NH3+])CC3)CC2)CN1 ZINC001246970841 834465410 /nfs/dbraw/zinc/46/54/10/834465410.db2.gz WVLVOJUTGFEJLC-HUUCEWRRSA-N 1 3 310.442 -0.223 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1C[NH2+]CCC1(F)F)O3 ZINC001247006957 834467780 /nfs/dbraw/zinc/46/77/80/834467780.db2.gz DCAJTHFBSFJEMX-ZNSHCXBVSA-N 1 3 323.365 -0.872 20 0 DBADHO O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CC[C@H]2C[NH2+]C[C@H]21)O3 ZINC001247007922 834467902 /nfs/dbraw/zinc/46/79/02/834467902.db2.gz HHTMMKNZEHZOON-XOKHJRTDSA-N 1 3 313.423 -0.871 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001193642100 834517974 /nfs/dbraw/zinc/51/79/74/834517974.db2.gz MGLVEEITDFBKKC-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001193642100 834517980 /nfs/dbraw/zinc/51/79/80/834517980.db2.gz MGLVEEITDFBKKC-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO C[C@]1(C2CC[NH+](C[C@H](O)CN3CCCC3)CC2)NC(=O)NC1=O ZINC001252732669 834551720 /nfs/dbraw/zinc/55/17/20/834551720.db2.gz KNWMYOZQQQYDHC-CZUORRHYSA-N 1 3 324.425 -0.247 20 0 DBADHO O=C1CO[C@H](CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CN1 ZINC001252945437 834556826 /nfs/dbraw/zinc/55/68/26/834556826.db2.gz COCQXISATYYPPJ-NVXWUHKLSA-N 1 3 319.405 -0.272 20 0 DBADHO O=C1CO[C@H](CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CN1 ZINC001252945437 834556833 /nfs/dbraw/zinc/55/68/33/834556833.db2.gz COCQXISATYYPPJ-NVXWUHKLSA-N 1 3 319.405 -0.272 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194009961 834558088 /nfs/dbraw/zinc/55/80/88/834558088.db2.gz HBOAJTMHLSUVCB-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCNC(=O)C1CC1)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194009961 834558097 /nfs/dbraw/zinc/55/80/97/834558097.db2.gz HBOAJTMHLSUVCB-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO COC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284055 834584928 /nfs/dbraw/zinc/58/49/28/834584928.db2.gz FRLBXBNPEJTPPS-ZIAGYGMSSA-N 1 3 301.431 -0.133 20 0 DBADHO COC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C(=O)CN(C)C(C)C)C1 ZINC001194284055 834584936 /nfs/dbraw/zinc/58/49/36/834584936.db2.gz FRLBXBNPEJTPPS-ZIAGYGMSSA-N 1 3 301.431 -0.133 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001194285079 834586227 /nfs/dbraw/zinc/58/62/27/834586227.db2.gz PGVSOYAKLSIDJV-CQSZACIVSA-N 1 3 301.431 -0.132 20 0 DBADHO CC(C)N(C)CC(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001194285079 834586234 /nfs/dbraw/zinc/58/62/34/834586234.db2.gz PGVSOYAKLSIDJV-CQSZACIVSA-N 1 3 301.431 -0.132 20 0 DBADHO CC(C)[C@H](N)C(=O)NCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC001261501492 834795843 /nfs/dbraw/zinc/79/58/43/834795843.db2.gz CXMXBWOUXMBZQZ-AWEZNQCLSA-N 1 3 314.430 -0.951 20 0 DBADHO C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001261635878 834823594 /nfs/dbraw/zinc/82/35/94/834823594.db2.gz RTCJQBPDHMNXJS-DGCLKSJQSA-N 1 3 312.414 -0.920 20 0 DBADHO COC[C@@H](O)CN1CCCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001197021616 834827457 /nfs/dbraw/zinc/82/74/57/834827457.db2.gz AHNKPHWZCQDZCI-HNNXBMFYSA-N 1 3 313.442 -0.130 20 0 DBADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493503 834875608 /nfs/dbraw/zinc/87/56/08/834875608.db2.gz QCFMPYOFSKLMNC-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CCOCCCN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493503 834875619 /nfs/dbraw/zinc/87/56/19/834875619.db2.gz QCFMPYOFSKLMNC-ZIAGYGMSSA-N 1 3 301.431 -0.084 20 0 DBADHO CN(C)C[C@H]1NC(=O)N(c2ccc(=O)n(CC[NH+](C)C)c2)C1=O ZINC001262384736 834938010 /nfs/dbraw/zinc/93/80/10/834938010.db2.gz NPPQDOQGRJESDU-GFCCVEGCSA-N 1 3 321.381 -0.604 20 0 DBADHO COCCn1c(C(=O)N(CCCC[NH3+])C(=N)N)cccc1=O ZINC001198701178 834963371 /nfs/dbraw/zinc/96/33/71/834963371.db2.gz WHSAGCIDJSAYHC-UHFFFAOYSA-N 1 3 309.370 -0.431 20 0 DBADHO C[C@@H]1CN2CCN1C[C@@H]2C(=O)NCCCCCN1CC[NH2+]CC1 ZINC001263206736 834976391 /nfs/dbraw/zinc/97/63/91/834976391.db2.gz HLDLSLIHGKUSSR-HZPDHXFCSA-N 1 3 323.485 -0.434 20 0 DBADHO C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)N1CCN(CCCCCO)CC1 ZINC001263871010 834994006 /nfs/dbraw/zinc/99/40/06/834994006.db2.gz OLDZPBPMOHAOQD-JKSUJKDBSA-N 1 3 324.469 -0.319 20 0 DBADHO C[C@H]1CN2CC[N@H+]1C[C@@H]2C(=O)N1CCN(CCCCCO)CC1 ZINC001263871010 834994011 /nfs/dbraw/zinc/99/40/11/834994011.db2.gz OLDZPBPMOHAOQD-JKSUJKDBSA-N 1 3 324.469 -0.319 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001264411493 835028072 /nfs/dbraw/zinc/02/80/72/835028072.db2.gz JRHVIAMNPKKMPZ-XQQFMLRXSA-N 1 3 324.425 -0.384 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCCC[C@@H]1C[NH2+]CCOCCO ZINC001265684589 835164147 /nfs/dbraw/zinc/16/41/47/835164147.db2.gz YILOMLMVVBJMPT-CQSZACIVSA-N 1 3 310.398 -0.068 20 0 DBADHO C[C@@H](NC[C@@H]1CN(C(=O)CC[NH+](C)C)CCCO1)C(N)=O ZINC001201319056 835182520 /nfs/dbraw/zinc/18/25/20/835182520.db2.gz RHTXXHMWSIVBIZ-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCOCCO)C1)N(C)C ZINC001265928742 835200424 /nfs/dbraw/zinc/20/04/24/835200424.db2.gz OLUCSJSTNXOBHL-UONOGXRCSA-N 1 3 301.431 -0.228 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+][C@@H](C)C(N)=O)C1 ZINC001201679326 835202612 /nfs/dbraw/zinc/20/26/12/835202612.db2.gz VVWWPVHGSBNUJF-STQMWFEESA-N 1 3 314.430 -0.591 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001201679323 835202689 /nfs/dbraw/zinc/20/26/89/835202689.db2.gz VVWWPVHGSBNUJF-CHWSQXEVSA-N 1 3 314.430 -0.591 20 0 DBADHO CCN(CC)CC(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001201677762 835203388 /nfs/dbraw/zinc/20/33/88/835203388.db2.gz CTOWUDJORFCPCD-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201809845 835211272 /nfs/dbraw/zinc/21/12/72/835211272.db2.gz QHCYCCHDVDTXBP-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCCO[C@@H](CNCC(N)=O)C1 ZINC001201809845 835211277 /nfs/dbraw/zinc/21/12/77/835211277.db2.gz QHCYCCHDVDTXBP-LBPRGKRZSA-N 1 3 300.403 -0.979 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@H](C[NH2+]C[C@H](C)O)C1 ZINC001201932336 835220730 /nfs/dbraw/zinc/22/07/30/835220730.db2.gz WXHWKEACSHUGJM-UONOGXRCSA-N 1 3 301.431 -0.084 20 0 DBADHO CCCN(C)CC(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001201932507 835221543 /nfs/dbraw/zinc/22/15/43/835221543.db2.gz ZUHDDPFUWBIVFR-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC([NH2+]CC(=O)N(C)C)CC2)C1 ZINC001202496545 835252530 /nfs/dbraw/zinc/25/25/30/835252530.db2.gz VDKFJJJPWJRFKS-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CCC([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001203010810 835278705 /nfs/dbraw/zinc/27/87/05/835278705.db2.gz WBKZRYJEMKJERV-CYBMUJFWSA-N 1 3 324.425 -0.286 20 0 DBADHO COC[C@H](O)C[NH2+]C1CCN(C(=O)CN(C)C(C)C)CC1 ZINC001203925545 835311509 /nfs/dbraw/zinc/31/15/09/835311509.db2.gz RUSAJLMETBNLLU-CQSZACIVSA-N 1 3 301.431 -0.086 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC(C[NH2+]CCOCCO)CC1 ZINC001204793285 835327550 /nfs/dbraw/zinc/32/75/50/835327550.db2.gz DTGJGMXGMIZBDC-HNNXBMFYSA-N 1 3 313.442 -0.082 20 0 DBADHO CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@H](N)[C@@H](F)CC3)[C@@H](O)[C@@H]2O1 ZINC001206154147 835381389 /nfs/dbraw/zinc/38/13/89/835381389.db2.gz GWAPLXHCNJPYSV-PJGZEUCASA-N 1 3 304.362 -0.015 20 0 DBADHO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@H](N)[C@@H](F)CC3)[C@@H](O)[C@@H]2O1 ZINC001206154147 835381400 /nfs/dbraw/zinc/38/14/00/835381400.db2.gz GWAPLXHCNJPYSV-PJGZEUCASA-N 1 3 304.362 -0.015 20 0 DBADHO CC1(C)O[C@@H]2O[C@@H](C[N@H+]3CC[C@@H](F)[C@@H](N)CC3)[C@@H](O)[C@@H]2O1 ZINC001206154149 835382246 /nfs/dbraw/zinc/38/22/46/835382246.db2.gz GWAPLXHCNJPYSV-USTYEKHQSA-N 1 3 304.362 -0.015 20 0 DBADHO CC1(C)O[C@@H]2O[C@@H](C[N@@H+]3CC[C@@H](F)[C@@H](N)CC3)[C@@H](O)[C@@H]2O1 ZINC001206154149 835382254 /nfs/dbraw/zinc/38/22/54/835382254.db2.gz GWAPLXHCNJPYSV-USTYEKHQSA-N 1 3 304.362 -0.015 20 0 DBADHO COC[C@H](O)C[NH2+]CC1CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001206403752 835395267 /nfs/dbraw/zinc/39/52/67/835395267.db2.gz VCSOHFKXZGRFNV-CQSZACIVSA-N 1 3 310.398 -0.212 20 0 DBADHO COC[C@@H](O)C[NH2+]CCN(C)C(=O)CN1CCC(C)CC1 ZINC001266911581 835405098 /nfs/dbraw/zinc/40/50/98/835405098.db2.gz PGRYKQATZHAXEX-AWEZNQCLSA-N 1 3 301.431 -0.226 20 0 DBADHO CC[C@H](C(=O)N(C)CC[NH2+]C[C@@H]1CCS(=O)(=O)C1)N(C)C ZINC001266988676 835422307 /nfs/dbraw/zinc/42/23/07/835422307.db2.gz NPDUZPKOFMCSRJ-QWHCGFSZSA-N 1 3 319.471 -0.191 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@H](O)C[NH2+]CC[C@H]1CCOC1 ZINC001268334371 835670686 /nfs/dbraw/zinc/67/06/86/835670686.db2.gz YSKQSNBPNAIZRT-QWHCGFSZSA-N 1 3 310.398 -0.246 20 0 DBADHO CCN(CC[NH2+]C[C@@H](O)Cn1cccn1)C(=O)[C@H]1CCCN1C ZINC001268438047 835692431 /nfs/dbraw/zinc/69/24/31/835692431.db2.gz BVHUNXNOJWJAFI-HUUCEWRRSA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@H](CN(C)CCN1C(=O)CCC1=O)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268755947 835800089 /nfs/dbraw/zinc/80/00/89/835800089.db2.gz GHHSVNODEIIQRP-OLZOCXBDSA-N 1 3 324.425 -0.476 20 0 DBADHO C[C@H](CN(C)CCN1C(=O)CCC1=O)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268755947 835800099 /nfs/dbraw/zinc/80/00/99/835800099.db2.gz GHHSVNODEIIQRP-OLZOCXBDSA-N 1 3 324.425 -0.476 20 0 DBADHO C[C@H]([NH2+]CCCN(C)C(=O)CN1CCCC1)C(=O)NC(N)=O ZINC001268950147 835847811 /nfs/dbraw/zinc/84/78/11/835847811.db2.gz MVZBVFBVCWIDNS-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001485703411 1013327767 /nfs/dbraw/zinc/32/77/67/1013327767.db2.gz WTFFCELTXYWFAV-DCAQKATOSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H](CN(C)C(=O)C1CC[NH+](C)CC1)NCCS(C)(=O)=O ZINC001485918293 1013431698 /nfs/dbraw/zinc/43/16/98/1013431698.db2.gz CFPOFCDSFVWJQS-GFCCVEGCSA-N 1 3 319.471 -0.191 20 0 DBADHO CC(C)(C(=O)NC[C@@H](CO)[NH2+]CCn1cccn1)N1CCCC1 ZINC001486023836 1013583772 /nfs/dbraw/zinc/58/37/72/1013583772.db2.gz WUASJADJQCMYKT-AWEZNQCLSA-N 1 3 323.441 -0.176 20 0 DBADHO C[C@@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)CCC[NH+](C)C ZINC001486122209 1013691204 /nfs/dbraw/zinc/69/12/04/1013691204.db2.gz PXCDEVYAEKXERC-OLZOCXBDSA-N 1 3 319.471 -0.048 20 0 DBADHO C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)CN(C)CC(C)(C)C)C(N)=O ZINC001486312217 1013806087 /nfs/dbraw/zinc/80/60/87/1013806087.db2.gz SOHXYCATDQKJOO-NWDGAFQWSA-N 1 3 316.446 -0.753 20 0 DBADHO Cn1cncc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001051931111 977564455 /nfs/dbraw/zinc/56/44/55/977564455.db2.gz TZEGSCZCYBLDCZ-HIFRSBDPSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cncc1CNC[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001051931111 977564468 /nfs/dbraw/zinc/56/44/68/977564468.db2.gz TZEGSCZCYBLDCZ-HIFRSBDPSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CCO2)cn1 ZINC001051931088 977564590 /nfs/dbraw/zinc/56/45/90/977564590.db2.gz SUGIIVASVJCLMS-HUUCEWRRSA-N 1 3 321.425 -0.311 20 0 DBADHO Cn1cc(CNC[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CCO2)cn1 ZINC001051931088 977564599 /nfs/dbraw/zinc/56/45/99/977564599.db2.gz SUGIIVASVJCLMS-HUUCEWRRSA-N 1 3 321.425 -0.311 20 0 DBADHO C[C@@H]1CC[N@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001528667351 1014455425 /nfs/dbraw/zinc/45/54/25/1014455425.db2.gz ZYGRVGCPRRKKHQ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CC[N@@H+](CC(=O)NCCN(C)C(=O)[C@@H]2CCCN2C)C1 ZINC001528667351 1014455429 /nfs/dbraw/zinc/45/54/29/1014455429.db2.gz ZYGRVGCPRRKKHQ-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001207687830 978236391 /nfs/dbraw/zinc/23/63/91/978236391.db2.gz JDSFZKQBUZYILW-KGLIPLIRSA-N 1 3 308.426 -0.060 20 0 DBADHO CC[NH+]1CCC(CN2C[C@@H]3[C@H](C2)OCCN3CC(=O)NC)CC1 ZINC001208601470 978396320 /nfs/dbraw/zinc/39/63/20/978396320.db2.gz ZQQHYJKBNVBWBJ-CVEARBPZSA-N 1 3 324.469 -0.151 20 0 DBADHO C[NH+](C)CCCC(=O)N1CCC[C@@H](NCC(=O)NC(N)=O)C1 ZINC001209325016 978446277 /nfs/dbraw/zinc/44/62/77/978446277.db2.gz WDFZKGBWRAKLPR-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CCN(CC)CC(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001210217278 978503350 /nfs/dbraw/zinc/50/33/50/978503350.db2.gz GDRXSNHRYOLZIN-AWEZNQCLSA-N 1 3 301.431 -0.082 20 0 DBADHO CNC(=O)[C@H](C)N[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001210684144 978528646 /nfs/dbraw/zinc/52/86/46/978528646.db2.gz DVDWZGFPWZZTQY-QWHCGFSZSA-N 1 3 308.426 -0.203 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001210811096 978533960 /nfs/dbraw/zinc/53/39/60/978533960.db2.gz IWFWAAKFSNJMCE-NSHDSACASA-N 1 3 313.402 -0.896 20 0 DBADHO CCCN(C)CC(=O)N1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2=O)C1 ZINC001210811517 978535098 /nfs/dbraw/zinc/53/50/98/978535098.db2.gz PCWSYNACOOADRG-OLZOCXBDSA-N 1 3 324.425 -0.286 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001214755151 978750136 /nfs/dbraw/zinc/75/01/36/978750136.db2.gz SXBAHDOJZNVBCA-FRRDWIJNSA-N 1 3 316.421 -0.151 20 0 DBADHO C[C@@H]1CN(C(=O)CN(C)C2CCC2)C[C@H]1[NH2+]CCOCCO ZINC001214861289 978754191 /nfs/dbraw/zinc/75/41/91/978754191.db2.gz PAQFCRKKVXFYHC-UKRRQHHQSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H](C2CC2)N(C)C)C[C@H]1[NH2+]CCOCCO ZINC001214855716 978754368 /nfs/dbraw/zinc/75/43/68/978754368.db2.gz LXGMDQPNCRJGGJ-YUELXQCFSA-N 1 3 313.442 -0.228 20 0 DBADHO CNC(=O)[C@H](C)N[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001215415560 978769410 /nfs/dbraw/zinc/76/94/10/978769410.db2.gz AJJGMLXMBYZQLC-FRRDWIJNSA-N 1 3 310.442 -0.101 20 0 DBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCC(=O)N1CCC1 ZINC001215421577 978769788 /nfs/dbraw/zinc/76/97/88/978769788.db2.gz HCGRNRGKRGHXLH-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CN(C(=O)CCC[NH+](C)C)C[C@H]1NCCS(C)(=O)=O ZINC001215421961 978769930 /nfs/dbraw/zinc/76/99/30/978769930.db2.gz SHZXRIRXUIDAMY-CHWSQXEVSA-N 1 3 319.471 -0.191 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@H]1C ZINC001216383838 978785740 /nfs/dbraw/zinc/78/57/40/978785740.db2.gz QZKIPTVTNVLLPG-HZSPNIEDSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)CN[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383838 978785744 /nfs/dbraw/zinc/78/57/44/978785744.db2.gz QZKIPTVTNVLLPG-HZSPNIEDSA-N 1 3 310.442 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001216754105 978792838 /nfs/dbraw/zinc/79/28/38/978792838.db2.gz HQXOAZNPTOLSGQ-VHDGCEQUSA-N 1 3 322.453 -0.099 20 0 DBADHO C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1NCC(=O)NCC1CC1 ZINC001216754105 978792840 /nfs/dbraw/zinc/79/28/40/978792840.db2.gz HQXOAZNPTOLSGQ-VHDGCEQUSA-N 1 3 322.453 -0.099 20 0 DBADHO COC[C@@H](O)C[NH2+][C@@H]1CN(C(=O)CN(C)C(C)C)C[C@H]1C ZINC001216852340 978796580 /nfs/dbraw/zinc/79/65/80/978796580.db2.gz VBIJKUHRSSBDNZ-HZSPNIEDSA-N 1 3 301.431 -0.230 20 0 DBADHO CC(C)N(C)CC(=O)N1C[C@@H](C)[C@H]([NH2+][C@@H]2CCC(=O)NC2=O)C1 ZINC001216852407 978796819 /nfs/dbraw/zinc/79/68/19/978796819.db2.gz YKOVJAARTDYBIV-JHJVBQTASA-N 1 3 324.425 -0.432 20 0 DBADHO C[C@@H]1CN(CCc2nnc([C@@H]3C[NH2+]CC34CNC4)o2)C[C@@H](C)O1 ZINC001217705050 978813156 /nfs/dbraw/zinc/81/31/56/978813156.db2.gz YOOKRZMLVPNKMC-UPJWGTAASA-N 1 3 321.425 -0.002 20 0 DBADHO c1cc(O[C@H]2COC3(C[NH2+]C3)C2)n2nc3c(c2n1)CNCC3 ZINC001218060889 978820325 /nfs/dbraw/zinc/82/03/25/978820325.db2.gz URUMINLBNKHDMX-SNVBAGLBSA-N 1 3 301.350 -0.115 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CCOC3(C[NH2+]C3)C2)cc1 ZINC001218092562 978820384 /nfs/dbraw/zinc/82/03/84/978820384.db2.gz IGFGYHCCNIBFES-KGLIPLIRSA-N 1 3 305.378 -0.059 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(OC[C@@H]2CO[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001218083107 978820417 /nfs/dbraw/zinc/82/04/17/978820417.db2.gz FDCZQMIYZIKRPX-REBRKWNGSA-N 1 3 305.378 -0.345 20 0 DBADHO COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H]1CC[NH2+]C1 ZINC001218179621 978820500 /nfs/dbraw/zinc/82/05/00/978820500.db2.gz AYWBZNBZPRGMKP-QMMMGPOBSA-N 1 3 310.354 -0.499 20 0 DBADHO NC(=O)[C@@H](N)Cc1ccc(O[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001218129996 978821314 /nfs/dbraw/zinc/82/13/14/978821314.db2.gz UHJUYBXQZMFIKM-DZKIICNBSA-N 1 3 305.378 -0.059 20 0 DBADHO Cn1c(NC(=O)[C@]23C[NH2+]C[C@H]2CNCC3)nnc1C(F)(F)F ZINC001218514654 978826220 /nfs/dbraw/zinc/82/62/20/978826220.db2.gz CYMBLQIWSLPVJL-RDDDGLTNSA-N 1 3 318.303 -0.029 20 0 DBADHO CCOC(=O)c1c(C)[nH]nc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218512353 978826755 /nfs/dbraw/zinc/82/67/55/978826755.db2.gz JXXDBAMFBDXYAF-SECBINFHSA-N 1 3 307.354 -0.358 20 0 DBADHO [NH3+][C@H]1CCc2nc(NC(=O)[C@@H]3COC4(CNC4)CN3)sc2C1 ZINC001218531774 978829472 /nfs/dbraw/zinc/82/94/72/978829472.db2.gz AVQJFUSCNWGYAL-WPRPVWTQSA-N 1 3 323.422 -0.772 20 0 DBADHO O=C(Nc1cncc(N2CCOCC2)n1)[C@H]1C[NH2+]CC12CNC2 ZINC001218575062 978832933 /nfs/dbraw/zinc/83/29/33/978832933.db2.gz AZIFMTDKYUITND-LLVKDONJSA-N 1 3 318.381 -0.939 20 0 DBADHO COC(=O)c1cc(C)cnc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218578708 978834599 /nfs/dbraw/zinc/83/45/99/978834599.db2.gz MAPIHTRLVXJXDD-LLVKDONJSA-N 1 3 304.350 -0.076 20 0 DBADHO N[C@H]1C[NH2+][C@H](C(=O)Nc2ncnc3c2ncn3[C@@H]2CCCO2)C1 ZINC001218644640 978840597 /nfs/dbraw/zinc/84/05/97/978840597.db2.gz YHLRJGBTFIFZHA-UTLUCORTSA-N 1 3 317.353 -0.237 20 0 DBADHO N[C@@H]1C[NH2+][C@H](C(=O)Nc2ncnc3c2ncn3[C@H]2CCCO2)C1 ZINC001218644639 978840839 /nfs/dbraw/zinc/84/08/39/978840839.db2.gz YHLRJGBTFIFZHA-LPEHRKFASA-N 1 3 317.353 -0.237 20 0 DBADHO CCOC(=O)c1nc(NC(=O)[C@@H](N)C2CC[NH2+]CC2)cn1C ZINC001218706588 978846394 /nfs/dbraw/zinc/84/63/94/978846394.db2.gz IXDVMZMPKJCJKS-NSHDSACASA-N 1 3 309.370 -0.138 20 0 DBADHO COc1nc(NC(=O)[C@@H]2C[NH2+]CC23CNC3)c(C)c(OC)n1 ZINC001218768038 978852155 /nfs/dbraw/zinc/85/21/55/978852155.db2.gz HCAWYPPFEKWCHT-VIFPVBQESA-N 1 3 307.354 -0.450 20 0 DBADHO O=C(Nc1ccnn1Br)[C@H]1C[NH2+]CC12CNC2 ZINC001218772476 978852340 /nfs/dbraw/zinc/85/23/40/978852340.db2.gz PCLODGBLAUFSTN-SSDOTTSWSA-N 1 3 300.160 -0.211 20 0 DBADHO COC(=O)c1ccc(OC)nc1NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001218790847 978853813 /nfs/dbraw/zinc/85/38/13/978853813.db2.gz WDGJXPYBVQJJTK-SNVBAGLBSA-N 1 3 320.349 -0.376 20 0 DBADHO Cc1ccc2c(c1NC(=O)[C@H]1C[NH2+]CC13CNC3)CNC2=O ZINC001218820280 978854374 /nfs/dbraw/zinc/85/43/74/978854374.db2.gz SXUGTNBRKSDYFT-GFCCVEGCSA-N 1 3 300.362 -0.014 20 0 DBADHO O=C(Nc1ccc2c(cnn2CCO)c1)[C@H]1C[NH2+]CC12CNC2 ZINC001218878957 978856759 /nfs/dbraw/zinc/85/67/59/978856759.db2.gz KEECOCCMJNEVKE-CYBMUJFWSA-N 1 3 315.377 -0.224 20 0 DBADHO CS(=O)(=O)N(C(=O)[C@H]1C[NH2+]CC12CNC2)c1cccc(N)c1 ZINC001218886966 978857487 /nfs/dbraw/zinc/85/74/87/978857487.db2.gz CMBLPTFJGCCFHD-GFCCVEGCSA-N 1 3 324.406 -0.630 20 0 DBADHO CN1C(=O)Cc2cc(NC(=O)[C@H]3C[NH2+]CC34CNC4)ccc21 ZINC001219020951 978865091 /nfs/dbraw/zinc/86/50/91/978865091.db2.gz TWPIYZFGIVLXRA-GFCCVEGCSA-N 1 3 300.362 -0.047 20 0 DBADHO C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1cccc(N2CC[NH2+]CC2)c1 ZINC001219118210 978879449 /nfs/dbraw/zinc/87/94/49/978879449.db2.gz KRSIXIZTTLEKSO-RYUDHWBXSA-N 1 3 319.409 -0.113 20 0 DBADHO O=C(Nc1cccc2c1CC(=O)NC2)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001219369487 978924203 /nfs/dbraw/zinc/92/42/03/978924203.db2.gz GTJHBETYEQMOCM-SJKOYZFVSA-N 1 3 314.389 -0.004 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC2(CC[NH2+]CC2)N1)N1CCOCC1 ZINC001219573228 978970264 /nfs/dbraw/zinc/97/02/64/978970264.db2.gz JBDYSYVCTJHBQG-ZDUSSCGKSA-N 1 3 324.425 -0.774 20 0 DBADHO O=C(CCNC(=O)[C@@H]1CCC2(CCNCC2)[NH2+]1)N1CCOCC1 ZINC001219573228 978970271 /nfs/dbraw/zinc/97/02/71/978970271.db2.gz JBDYSYVCTJHBQG-ZDUSSCGKSA-N 1 3 324.425 -0.774 20 0 DBADHO N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1c[nH]cn1 ZINC001219606900 978977719 /nfs/dbraw/zinc/97/77/19/978977719.db2.gz WHSXEOUBBAUSBQ-STQMWFEESA-N 1 3 322.413 -0.527 20 0 DBADHO C[S@](=O)CC[C@H](N)C(=O)N[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC001219610309 978978426 /nfs/dbraw/zinc/97/84/26/978978426.db2.gz NKUZYJMUYNQSKM-MEZOJJSDSA-N 1 3 301.334 -0.507 20 0 DBADHO C[C@H](N)C(=O)N1[C@H](C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)COC1(C)C ZINC001219635760 978985042 /nfs/dbraw/zinc/98/50/42/978985042.db2.gz QKTSWISILQSUGJ-NAKRPEOUSA-N 1 3 316.377 -0.887 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)NCc1ccc2c(c1)CC[NH2+]C2 ZINC001219703294 978997118 /nfs/dbraw/zinc/99/71/18/978997118.db2.gz DOCJJYSPAJLTPI-AWEZNQCLSA-N 1 3 319.409 -0.276 20 0 DBADHO O=C(NC[C@@H]1CC2(C[NH2+]C2)CO1)c1cncc2c1CCNC2 ZINC001219738955 979004359 /nfs/dbraw/zinc/00/43/59/979004359.db2.gz CPMDJXRDPJEJBT-LBPRGKRZSA-N 1 3 302.378 -0.164 20 0 DBADHO N[C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@@H+]2C1)c1ccc(O)cc1 ZINC001219765018 979007992 /nfs/dbraw/zinc/00/79/92/979007992.db2.gz RWQUUBVLSALOCZ-ZLDLUXBVSA-N 1 3 304.394 -0.198 20 0 DBADHO N[C@H](C(=O)NC[C@H]1C[C@H]2CNCC[N@H+]2C1)c1ccc(O)cc1 ZINC001219765018 979007995 /nfs/dbraw/zinc/00/79/95/979007995.db2.gz RWQUUBVLSALOCZ-ZLDLUXBVSA-N 1 3 304.394 -0.198 20 0 DBADHO N[C@H](C(=O)NC[C@H]1C[C@H]2C[NH2+]CCN2C1)c1ccc(O)cc1 ZINC001219765018 979008000 /nfs/dbraw/zinc/00/80/00/979008000.db2.gz RWQUUBVLSALOCZ-ZLDLUXBVSA-N 1 3 304.394 -0.198 20 0 DBADHO N[C@H]1CCCCN(CC(=O)NCC[C@@H]2CCOC23C[NH2+]C3)C1=O ZINC001219800418 979018194 /nfs/dbraw/zinc/01/81/94/979018194.db2.gz JPZYPSABQSFHKA-OLZOCXBDSA-N 1 3 324.425 -0.789 20 0 DBADHO NCc1ccc(C(=O)NC[C@H]2CO[C@@]3(C2)C[NH2+]CCOC3)cn1 ZINC001219844543 979029670 /nfs/dbraw/zinc/02/96/70/979029670.db2.gz NSIFCWMGHNMCFW-LRDDRELGSA-N 1 3 320.393 -0.335 20 0 DBADHO O=C(N[C@H]1CC[C@@H]2NCCO[C@@H]12)[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC001219847604 979030094 /nfs/dbraw/zinc/03/00/94/979030094.db2.gz LZSONFRRHGGIEZ-XDQVBPFNSA-N 1 3 309.410 -0.219 20 0 DBADHO CCOC(=O)[C@@H]1C[NH2+]C[C@H]1C(=O)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219849555 979031237 /nfs/dbraw/zinc/03/12/37/979031237.db2.gz DGZDLYSQSDZTPV-NAWOPXAZSA-N 1 3 311.382 -0.979 20 0 DBADHO O=C(C[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21)N[C@H]1CC[C@@H]2NCCO[C@@H]12 ZINC001219847695 979031338 /nfs/dbraw/zinc/03/13/38/979031338.db2.gz PLXSBUQPWSKXEC-IITUXSPASA-N 1 3 309.410 -0.363 20 0 DBADHO Cn1cc2c(n1)[C@@H](CNC(=O)[C@H](N)C1CC[NH2+]CC1)OCC2 ZINC001219888950 979039107 /nfs/dbraw/zinc/03/91/07/979039107.db2.gz YHLOUNCGNCHWSQ-CHWSQXEVSA-N 1 3 307.398 -0.523 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)NC[C@@H](O)COc1ccccc1 ZINC001219918602 979042877 /nfs/dbraw/zinc/04/28/77/979042877.db2.gz OFZWKSURSGVAJZ-YPMHNXCESA-N 1 3 313.423 -0.438 20 0 DBADHO O=C(NC[C@@H](O)COc1ccccc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001219918115 979043609 /nfs/dbraw/zinc/04/36/09/979043609.db2.gz FEACCPZNGHSRAK-OCCSQVGLSA-N 1 3 305.378 -0.649 20 0 DBADHO COC(=O)c1ccnc(CNC(=O)[C@@H](N)CSCC[NH3+])c1 ZINC001220037840 979072232 /nfs/dbraw/zinc/07/22/32/979072232.db2.gz MHTCAIUWKITHGS-NSHDSACASA-N 1 3 312.395 -0.496 20 0 DBADHO C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220062142 979082819 /nfs/dbraw/zinc/08/28/19/979082819.db2.gz NTBFKTHFWBARKO-KBPBESRZSA-N 1 3 310.442 -0.303 20 0 DBADHO C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001220062142 979082830 /nfs/dbraw/zinc/08/28/30/979082830.db2.gz NTBFKTHFWBARKO-KBPBESRZSA-N 1 3 310.442 -0.303 20 0 DBADHO C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220062145 979083341 /nfs/dbraw/zinc/08/33/41/979083341.db2.gz NTBFKTHFWBARKO-ZIAGYGMSSA-N 1 3 310.442 -0.303 20 0 DBADHO C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001220062145 979083354 /nfs/dbraw/zinc/08/33/54/979083354.db2.gz NTBFKTHFWBARKO-ZIAGYGMSSA-N 1 3 310.442 -0.303 20 0 DBADHO COC(=O)[C@H](CCSC)NC(=O)[C@H]1C[NH2+]CC12CNC2 ZINC001220079603 979087822 /nfs/dbraw/zinc/08/78/22/979087822.db2.gz SJSGELLSCBAAMB-ZJUUUORDSA-N 1 3 301.412 -0.794 20 0 DBADHO N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC001220149791 979115566 /nfs/dbraw/zinc/11/55/66/979115566.db2.gz COKBIEJNQMIOHY-TUAOUCFPSA-N 1 3 320.397 -0.833 20 0 DBADHO NC(=O)NCCC[C@H](N)C(=O)N[C@H]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001220159177 979117762 /nfs/dbraw/zinc/11/77/62/979117762.db2.gz NDJFRLPJKKZQDT-SLEUVZQESA-N 1 3 311.430 -0.199 20 0 DBADHO COCCC[NH+]1CCC(NC(=O)[C@@H](N)CC[S@@](C)=O)CC1 ZINC001220200800 979132615 /nfs/dbraw/zinc/13/26/15/979132615.db2.gz VNSUSBCOZQTOTP-YEJXKQKISA-N 1 3 319.471 -0.301 20 0 DBADHO C[NH+](C)CC1(C(=O)N[C@@H]2CN(C[C@@H]3CCOC3)C[C@@H]2O)CC1 ZINC001220227432 979140147 /nfs/dbraw/zinc/14/01/47/979140147.db2.gz SXLDHFFXYGVFRQ-MJBXVCDLSA-N 1 3 311.426 -0.474 20 0 DBADHO COCCCCN1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220227607 979140677 /nfs/dbraw/zinc/14/06/77/979140677.db2.gz XDGPTUSZLRWAMP-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO O=C(NCCn1nnc2ccccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220272972 979151712 /nfs/dbraw/zinc/15/17/12/979151712.db2.gz UWGSHOZUEDZLRT-MLGOLLRUSA-N 1 3 314.393 -0.253 20 0 DBADHO COCCn1cncc1CNC(=O)[C@@H](N)CSCC[NH3+] ZINC001220274759 979152725 /nfs/dbraw/zinc/15/27/25/979152725.db2.gz PDQNGETURXMSHE-NSHDSACASA-N 1 3 301.416 -0.835 20 0 DBADHO NC[C@H]([NH3+])c1ccc(C(=O)N[C@@H](CO)Cc2c[nH]cn2)cc1 ZINC001220291350 979159023 /nfs/dbraw/zinc/15/90/23/979159023.db2.gz RREBNTZEVUEMDB-KGLIPLIRSA-N 1 3 303.366 -0.298 20 0 DBADHO O=C(NCc1ncn2c1CNCCC2)[C@H]1C[C@H]2C[NH2+]CC[C@@H]2O1 ZINC001220310876 979162117 /nfs/dbraw/zinc/16/21/17/979162117.db2.gz HODGNBMYHPJVSH-TUKIKUTGSA-N 1 3 319.409 -0.240 20 0 DBADHO NCc1ccc2c(n1)N(C(=O)[C@@H]1COC3(C[NH2+]C3)CN1)CCC2 ZINC001220376964 979179236 /nfs/dbraw/zinc/17/92/36/979179236.db2.gz FSUWOZSKEXWHND-ZDUSSCGKSA-N 1 3 317.393 -0.850 20 0 DBADHO CCOC(=O)c1cccc(CNC(=O)[C@@H]2C[NH2+]CC23CNC3)n1 ZINC001220400497 979189538 /nfs/dbraw/zinc/18/95/38/979189538.db2.gz FNRULDCQZKDYMB-LBPRGKRZSA-N 1 3 318.377 -0.317 20 0 DBADHO O=C(N[C@@H]1C(=O)NCc2ccccc21)[C@@H]1C[NH2+]CC12CNC2 ZINC001220403483 979192262 /nfs/dbraw/zinc/19/22/62/979192262.db2.gz SKDVEUWSXOXITJ-STQMWFEESA-N 1 3 300.362 -0.717 20 0 DBADHO N[C@@H](CN1CCC([NH3+])CC1)C(=O)NCc1ccc2n[nH]nc2c1 ZINC001220427078 979196931 /nfs/dbraw/zinc/19/69/31/979196931.db2.gz YJSUXMITMVDYSP-LBPRGKRZSA-N 1 3 317.397 -0.676 20 0 DBADHO COC(=O)[C@H](COCc1ccccc1)NC(=O)[C@@H](N)CCC[NH3+] ZINC001220453293 979203986 /nfs/dbraw/zinc/20/39/86/979203986.db2.gz AXKZHTHHPXAZPT-KBPBESRZSA-N 1 3 323.393 -0.073 20 0 DBADHO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2C[C@@H](F)CCN2)O1 ZINC001220481318 979210738 /nfs/dbraw/zinc/21/07/38/979210738.db2.gz CZUYVDIAAJVVMY-YCGPCKTQSA-N 1 3 303.378 -0.083 20 0 DBADHO CCOC(=O)C1=C(NC(=O)[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)CCNC1 ZINC001220521924 979223892 /nfs/dbraw/zinc/22/38/92/979223892.db2.gz UFOHYKYUDAFURY-SUZMYJTESA-N 1 3 309.366 -0.853 20 0 DBADHO [NH3+]CCOCCOCCNC(=O)c1ccc2c(n1)CCNC2 ZINC001220521847 979224258 /nfs/dbraw/zinc/22/42/58/979224258.db2.gz QLOFLLNHCQYXQZ-UHFFFAOYSA-N 1 3 308.382 -0.551 20 0 DBADHO CCOC(=O)C1=C(NC(=O)CCCCNC(N)=[NH2+])CCNC1 ZINC001220524052 979225651 /nfs/dbraw/zinc/22/56/51/979225651.db2.gz XSVFSWYILLJUEG-UHFFFAOYSA-N 1 3 311.386 -0.434 20 0 DBADHO CCOC(=O)C1=C(NC(=O)CC2([NH3+])CCOCC2)CCNC1 ZINC001220522911 979227575 /nfs/dbraw/zinc/22/75/75/979227575.db2.gz HBTNBMFMDUUAHB-UHFFFAOYSA-N 1 3 311.382 -0.189 20 0 DBADHO CC(C)[NH2+]CCCC[C@H](N)C(=O)NCCN1CC2(COC2)C1 ZINC001220571611 979233895 /nfs/dbraw/zinc/23/38/95/979233895.db2.gz VKMYXVGVLNOUSU-AWEZNQCLSA-N 1 3 312.458 -0.070 20 0 DBADHO COC(=O)[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1CNCC2)C(F)(F)F ZINC001220588597 979242596 /nfs/dbraw/zinc/24/25/96/979242596.db2.gz VFKRXIZAYMOWLN-VHSKPIJISA-N 1 3 309.288 -0.594 20 0 DBADHO O=C(N[C@H]1NC(=O)c2ccccc21)[C@]12C[NH2+]C[C@H]1CNCC2 ZINC001220619005 979250402 /nfs/dbraw/zinc/25/04/02/979250402.db2.gz BZPHZVIVQISFGA-CKUKBARFSA-N 1 3 300.362 -0.256 20 0 DBADHO O=C(NCc1ccc(-n2cccn2)nc1)[C@@H]1C[NH2+]CC12CNC2 ZINC001220673745 979262453 /nfs/dbraw/zinc/26/24/53/979262453.db2.gz KPCPCQAGNVEQON-ZDUSSCGKSA-N 1 3 312.377 -0.308 20 0 DBADHO COCCCCN1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771563 979279664 /nfs/dbraw/zinc/27/96/64/979279664.db2.gz ZEIFHFPBIRRVIR-KGLIPLIRSA-N 1 3 311.426 -0.330 20 0 DBADHO CC(C)(C)[C@H](C[NH3+])NC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220857771 979310659 /nfs/dbraw/zinc/31/06/59/979310659.db2.gz RBMSWOWMRATETM-UWVGGRQHSA-N 1 3 303.428 -0.747 20 0 DBADHO CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC3(CC[NH2+]CC3)N2)C1 ZINC001220907157 979318242 /nfs/dbraw/zinc/31/82/42/979318242.db2.gz JRPVXMXNPNSORB-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO CCC(=O)N1CC[C@H](NC(=O)[C@@H]2CCC3(CCNCC3)[NH2+]2)C1 ZINC001220907157 979318257 /nfs/dbraw/zinc/31/82/57/979318257.db2.gz JRPVXMXNPNSORB-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1COC2(CNC2)CN1 ZINC001220919026 979322071 /nfs/dbraw/zinc/32/20/71/979322071.db2.gz PIWZEUXGYFREIX-UKRRQHHQSA-N 1 3 322.453 -0.160 20 0 DBADHO O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1COC2(CNC2)CN1 ZINC001220919026 979322081 /nfs/dbraw/zinc/32/20/81/979322081.db2.gz PIWZEUXGYFREIX-UKRRQHHQSA-N 1 3 322.453 -0.160 20 0 DBADHO N[C@@H](CCC[NH3+])C(=O)N[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC001220921038 979325587 /nfs/dbraw/zinc/32/55/87/979325587.db2.gz XHEYEXBGSNBNRA-OLZOCXBDSA-N 1 3 305.382 -0.522 20 0 DBADHO N[C@H]1C[NH2+]C[C@@H]1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001220926280 979325865 /nfs/dbraw/zinc/32/58/65/979325865.db2.gz FFLAGDJFILWVIF-HOTGVXAUSA-N 1 3 317.437 -0.044 20 0 DBADHO N[C@@H](CSCC[NH3+])C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC001220934278 979329762 /nfs/dbraw/zinc/32/97/62/979329762.db2.gz MHVFHFHLVMSLNM-NEPJUHHUSA-N 1 3 309.439 -0.204 20 0 DBADHO [NH3+][C@H]1CC[C@H](N(C(=O)[C@@H]2CNCCN2)c2ccncn2)CC1 ZINC001220941567 979334043 /nfs/dbraw/zinc/33/40/43/979334043.db2.gz UFYZYTPMZTUCFJ-AVGNSLFASA-N 1 3 304.398 -0.359 20 0 DBADHO N[C@@H](C(=O)NCC(=O)NCc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC001220939544 979334188 /nfs/dbraw/zinc/33/41/88/979334188.db2.gz OGBWEVOENVWQMM-OAHLLOKOSA-N 1 3 322.384 -0.115 20 0 DBADHO N[C@H](CCC[NH3+])C(=O)NCc1cccc(N2CCOCC2=O)c1 ZINC001220990646 979339982 /nfs/dbraw/zinc/33/99/82/979339982.db2.gz SUKDLORISHTVQD-CQSZACIVSA-N 1 3 320.393 -0.268 20 0 DBADHO N[C@H](CN1CCC([NH3+])CC1)C(=O)NCc1ncn2ccccc12 ZINC001221008463 979348197 /nfs/dbraw/zinc/34/81/97/979348197.db2.gz UGBMXTGHNWMUNN-CYBMUJFWSA-N 1 3 316.409 -0.299 20 0 DBADHO COc1cccc(CNC(=O)CNC(=O)[C@@H](N)CCC[NH3+])c1 ZINC001221060631 979353815 /nfs/dbraw/zinc/35/38/15/979353815.db2.gz IFYAVMUNCDHKJW-ZDUSSCGKSA-N 1 3 308.382 -0.506 20 0 DBADHO O=C(N[C@H]1CC[C@H](N2CCOCC2)CC1)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001221056649 979354303 /nfs/dbraw/zinc/35/43/03/979354303.db2.gz XBPIQUHLURQWHO-ANQUJSFKSA-N 1 3 322.453 -0.303 20 0 DBADHO O=C(N[C@H]1CC[C@H](N2CCOCC2)CC1)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001221056789 979355558 /nfs/dbraw/zinc/35/55/58/979355558.db2.gz ZQCWKSGWVYUUID-UVPYHEFZSA-N 1 3 322.453 -0.304 20 0 DBADHO O=C(NCc1cn(CC(F)(F)F)cn1)[C@@H]1C[NH2+]CC12CNC2 ZINC001221146474 979374827 /nfs/dbraw/zinc/37/48/27/979374827.db2.gz JEMCCSGENDULMH-JTQLQIEISA-N 1 3 317.315 -0.129 20 0 DBADHO COC(=O)[C@@](C)(NC(=O)[C@H]1C[NH2+]CC12CNC2)C(F)(F)F ZINC001221218961 979383567 /nfs/dbraw/zinc/38/35/67/979383567.db2.gz JXHXSPDLDFXRLR-GMSGAONNSA-N 1 3 309.288 -0.594 20 0 DBADHO O=C(NC1=CC(=O)NCC1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC001221316973 979399304 /nfs/dbraw/zinc/39/93/04/979399304.db2.gz QIEDAFBPAKZJHH-GFCCVEGCSA-N 1 3 306.410 -0.030 20 0 DBADHO O=C(NC1=CC(=O)NCC1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC001221316973 979399314 /nfs/dbraw/zinc/39/93/14/979399314.db2.gz QIEDAFBPAKZJHH-GFCCVEGCSA-N 1 3 306.410 -0.030 20 0 DBADHO O=C(NC1=CC(=O)NCC1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC001221316973 979399324 /nfs/dbraw/zinc/39/93/24/979399324.db2.gz QIEDAFBPAKZJHH-GFCCVEGCSA-N 1 3 306.410 -0.030 20 0 DBADHO CC(C)(C)[C@@H](CN1CCOCC1)NC(=O)[C@@H]1C[NH2+]CC12CNC2 ZINC001221357083 979408586 /nfs/dbraw/zinc/40/85/86/979408586.db2.gz LVYDCQSPPVGHBR-UONOGXRCSA-N 1 3 324.469 -0.342 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+][C@@H]4CCO[C@@H]43)CC2)NC1 ZINC001221392485 979410380 /nfs/dbraw/zinc/41/03/80/979410380.db2.gz WRYASXCZRWSZIB-NUEKZKHPSA-N 1 3 318.421 -0.068 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)[C@H]3C[NH2+]CC[C@H]3O)CC2)NC1 ZINC001221390167 979410875 /nfs/dbraw/zinc/41/08/75/979410875.db2.gz BDQCBMLUAOEZAO-DZGCQCFKSA-N 1 3 306.410 -0.475 20 0 DBADHO NC1=CC=C(C2CCN(C(=O)C3(N)CC[NH2+]CC3)CC2)NC1 ZINC001221392388 979411436 /nfs/dbraw/zinc/41/14/36/979411436.db2.gz VJNUJGHDNOYVPA-UHFFFAOYSA-N 1 3 305.426 -0.364 20 0 DBADHO CC(=O)O[C@H]1C[NH2+]C[C@@H]1C(=O)NC[C@@H]1Cc2ccccc2CN1 ZINC001221399737 979414000 /nfs/dbraw/zinc/41/40/00/979414000.db2.gz STNFGKWZRLRDNU-JYJNAYRXSA-N 1 3 317.389 -0.032 20 0 DBADHO NC(=O)NCCC[C@@H](N)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC001221397553 979414848 /nfs/dbraw/zinc/41/48/48/979414848.db2.gz MAUMIJGDTAMWPN-UONOGXRCSA-N 1 3 319.409 -0.407 20 0 DBADHO COc1cccc([C@H](C[NH3+])NC(=O)[C@@H](N)CCCNC(N)=O)c1 ZINC001221406504 979417994 /nfs/dbraw/zinc/41/79/94/979417994.db2.gz RWUDEBYYHMMWHX-STQMWFEESA-N 1 3 323.397 -0.413 20 0 DBADHO C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C1CCC1)C1C[NH2+]C1 ZINC001221410863 979419005 /nfs/dbraw/zinc/41/90/05/979419005.db2.gz SJPZUAXNSMMSLL-BPNCWPANSA-N 1 3 308.426 -0.171 20 0 DBADHO O=C1CN(Cc2nc3c(s2)CNCC3)[C@@]2(CC[NH2+]C2)CN1 ZINC001222374334 979509197 /nfs/dbraw/zinc/50/91/97/979509197.db2.gz RCRDLKRSGIPDHH-CQSZACIVSA-N 1 3 307.423 -0.547 20 0 DBADHO CN(CCNC(=O)C(=O)N1CC[NH2+]CCC12CCC2)C1CC1 ZINC001331601208 979891416 /nfs/dbraw/zinc/89/14/16/979891416.db2.gz MYSUSDFLJXKHLM-UHFFFAOYSA-N 1 3 308.426 -0.059 20 0 DBADHO CC(C)OCCN[C@@H](CO)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001331713077 979893949 /nfs/dbraw/zinc/89/39/49/979893949.db2.gz VZVYJKYTMZKTKE-CABCVRRESA-N 1 3 313.442 -0.180 20 0 DBADHO C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC001344771793 980009034 /nfs/dbraw/zinc/00/90/34/980009034.db2.gz AAGAAQHZKVRNJG-LSDHHAIUSA-N 1 3 322.453 -0.003 20 0 DBADHO Cc1cc(NC(=O)C(=O)N(CCN(C)C)CC[NH+](C)C)ccn1 ZINC001348281673 980275738 /nfs/dbraw/zinc/27/57/38/980275738.db2.gz QHBLTXAPXNZPLW-UHFFFAOYSA-N 1 3 321.425 -0.298 20 0 DBADHO CN1CCN(C)CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC001351735027 980686298 /nfs/dbraw/zinc/68/62/98/980686298.db2.gz NHYUUJWDRLPAAR-UHFFFAOYSA-N 1 3 311.474 -0.624 20 0 DBADHO [NH3+]C[C@H]1CCCN1C(=O)C(=O)NC1CCN([C@@H]2CCOC2)CC1 ZINC001353313252 980796209 /nfs/dbraw/zinc/79/62/09/980796209.db2.gz YYWALVIBQRCRNM-ZIAGYGMSSA-N 1 3 324.425 -0.694 20 0 DBADHO O[C@H](CNCCC[NH+]1CCC(O)CC1)C[C@]1(O)CCOC1 ZINC001356103824 980925520 /nfs/dbraw/zinc/92/55/20/980925520.db2.gz WCICASHEZFAFBX-LSDHHAIUSA-N 1 3 302.415 -0.675 20 0 DBADHO C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCN(CC[NH3+])C2=O)CN1C1CC1 ZINC001357428959 981059887 /nfs/dbraw/zinc/05/98/87/981059887.db2.gz UBGNOVRERITGPW-YRGRVCCFSA-N 1 3 308.426 -0.075 20 0 DBADHO CCN(CCCNC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001490356390 1014940452 /nfs/dbraw/zinc/94/04/52/1014940452.db2.gz GZYDKHXFBURWME-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCN(C)C1=O ZINC001490356390 1014940464 /nfs/dbraw/zinc/94/04/64/1014940464.db2.gz GZYDKHXFBURWME-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2nc[nH]c2C)C1 ZINC001365828005 983546457 /nfs/dbraw/zinc/54/64/57/983546457.db2.gz XILSJEWXRWDXGV-XQQFMLRXSA-N 1 3 310.398 -0.248 20 0 DBADHO CN(C)C1(C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)N3CCC3)C2)CCC1 ZINC001366114905 983704308 /nfs/dbraw/zinc/70/43/08/983704308.db2.gz PUZQINOJTJKFKN-JOCQHMNTSA-N 1 3 308.426 -0.060 20 0 DBADHO CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001366165622 983726313 /nfs/dbraw/zinc/72/63/13/983726313.db2.gz BORTWYAGMJVWPP-JFGNBEQYSA-N 1 3 313.402 -0.996 20 0 DBADHO C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001366235707 983747280 /nfs/dbraw/zinc/74/72/80/983747280.db2.gz OBRXPSISADYIGF-SSZWKKLZSA-N 1 3 320.437 -0.204 20 0 DBADHO C[N@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1[C@H]2CN([C@@H]3CCNC3=O)C[C@H]21 ZINC001366235707 983747285 /nfs/dbraw/zinc/74/72/85/983747285.db2.gz OBRXPSISADYIGF-SSZWKKLZSA-N 1 3 320.437 -0.204 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001366235833 983749082 /nfs/dbraw/zinc/74/90/82/983749082.db2.gz WXRIXONUBSHDIK-ZQNQSHIBSA-N 1 3 322.453 -0.102 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001366235833 983749087 /nfs/dbraw/zinc/74/90/87/983749087.db2.gz WXRIXONUBSHDIK-ZQNQSHIBSA-N 1 3 322.453 -0.102 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001366236450 983750140 /nfs/dbraw/zinc/75/01/40/983750140.db2.gz CMVYIOFOANVQSX-XHJNMGKDSA-N 1 3 308.426 -0.493 20 0 DBADHO CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21)N(C)C ZINC001366236450 983750144 /nfs/dbraw/zinc/75/01/44/983750144.db2.gz CMVYIOFOANVQSX-XHJNMGKDSA-N 1 3 308.426 -0.493 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC2CC2)C1 ZINC001366387618 983820832 /nfs/dbraw/zinc/82/08/32/983820832.db2.gz ADXHAAXBWJFBEV-TZMCWYRMSA-N 1 3 308.426 -0.203 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001366405361 983826732 /nfs/dbraw/zinc/82/67/32/983826732.db2.gz SZKFFOKFPPVMMQ-KGLIPLIRSA-N 1 3 313.442 -0.084 20 0 DBADHO C[C@H]([NH2+]CCN(C)C(=O)[C@H]1CCCCN1C)C(=O)NC(N)=O ZINC001366831837 984010310 /nfs/dbraw/zinc/01/03/10/984010310.db2.gz ULUVWCUKSAKLOO-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@H](C)C(=O)NC(N)=O ZINC001367124426 984194651 /nfs/dbraw/zinc/19/46/51/984194651.db2.gz FGEXQWGIYVNJSU-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO CC[C@@H](CNC(=O)COC1CC[NH+](C)CC1)NCC(N)=O ZINC001367139505 984199483 /nfs/dbraw/zinc/19/94/83/984199483.db2.gz OWDLNVURMMVGKM-NSHDSACASA-N 1 3 300.403 -0.933 20 0 DBADHO C[C@H](CNCC(=O)Nc1ccon1)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001367290189 984251624 /nfs/dbraw/zinc/25/16/24/984251624.db2.gz LZBKGGHZDGVSJD-VXGBXAGGSA-N 1 3 323.397 -0.093 20 0 DBADHO C[C@H](CNCC(=O)Nc1ccon1)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367290189 984251634 /nfs/dbraw/zinc/25/16/34/984251634.db2.gz LZBKGGHZDGVSJD-VXGBXAGGSA-N 1 3 323.397 -0.093 20 0 DBADHO CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001367577418 984374610 /nfs/dbraw/zinc/37/46/10/984374610.db2.gz FWLHHXVRZCITFP-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CNCC(=O)N(C)C ZINC001367577418 984374620 /nfs/dbraw/zinc/37/46/20/984374620.db2.gz FWLHHXVRZCITFP-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CCCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)N(C)C ZINC001367577418 984374633 /nfs/dbraw/zinc/37/46/33/984374633.db2.gz FWLHHXVRZCITFP-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001367588040 984391316 /nfs/dbraw/zinc/39/13/16/984391316.db2.gz ZDHUTBLIBQJISQ-QWHCGFSZSA-N 1 3 314.430 -0.938 20 0 DBADHO CCNC(=O)CNC[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001367588040 984391325 /nfs/dbraw/zinc/39/13/25/984391325.db2.gz ZDHUTBLIBQJISQ-QWHCGFSZSA-N 1 3 314.430 -0.938 20 0 DBADHO CCNC(=O)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCN1C(C)C ZINC001367588040 984391335 /nfs/dbraw/zinc/39/13/35/984391335.db2.gz ZDHUTBLIBQJISQ-QWHCGFSZSA-N 1 3 314.430 -0.938 20 0 DBADHO Cn1ccnc1CNC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001367595190 984408917 /nfs/dbraw/zinc/40/89/17/984408917.db2.gz VOBQMDPVLMQKFU-OLZOCXBDSA-N 1 3 309.414 -0.529 20 0 DBADHO Cn1ccnc1CNC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001367595190 984408924 /nfs/dbraw/zinc/40/89/24/984408924.db2.gz VOBQMDPVLMQKFU-OLZOCXBDSA-N 1 3 309.414 -0.529 20 0 DBADHO Cc1cc(CNC[C@H](O)CNC(=O)CC[NH+](C)C)sn1 ZINC001367598876 984415901 /nfs/dbraw/zinc/41/59/01/984415901.db2.gz CZKIHCLKHWZJTQ-NSHDSACASA-N 1 3 300.428 -0.030 20 0 DBADHO Cc1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@@H+]2C)nn1C ZINC001367601062 984424610 /nfs/dbraw/zinc/42/46/10/984424610.db2.gz AETJQQHFHZUSJD-CABCVRRESA-N 1 3 323.441 -0.220 20 0 DBADHO Cc1cc(CNC[C@@H](O)CNC(=O)[C@@H]2CCCC[N@H+]2C)nn1C ZINC001367601062 984424635 /nfs/dbraw/zinc/42/46/35/984424635.db2.gz AETJQQHFHZUSJD-CABCVRRESA-N 1 3 323.441 -0.220 20 0 DBADHO CNC(=O)NC(=O)CNC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001367755661 984598921 /nfs/dbraw/zinc/59/89/21/984598921.db2.gz PKLWDGVDGHAUEO-CMPLNLGQSA-N 1 3 315.418 -0.878 20 0 DBADHO C[C@@H](CNCC(N)=O)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001367761222 984600677 /nfs/dbraw/zinc/60/06/77/984600677.db2.gz SORVFUOTYFAEOY-LBPRGKRZSA-N 1 3 306.410 -0.016 20 0 DBADHO C[C@H](NC[C@@H]1CCCN1C(=O)CC[NH+](C)C)C(=O)NC(N)=O ZINC001368104107 984873942 /nfs/dbraw/zinc/87/39/42/984873942.db2.gz AOAWLTHDOGGBCV-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@]1(O)CCN(CCO)C1)[NH+]1CCCC1 ZINC001368276874 985022520 /nfs/dbraw/zinc/02/25/20/985022520.db2.gz QLHHDZVKPRXXPA-GOEBONIOSA-N 1 3 313.442 -0.348 20 0 DBADHO C[NH+](C)CCC(=O)NC[C@H]1C[C@@H](NCCS(C)(=O)=O)C1 ZINC001368493800 985218416 /nfs/dbraw/zinc/21/84/16/985218416.db2.gz DKXKRNZDBZFPNM-TXEJJXNPSA-N 1 3 305.444 -0.533 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@H](CN[C@H](C)C(=O)NC)C1 ZINC001368506830 985228643 /nfs/dbraw/zinc/22/86/43/985228643.db2.gz GKEFOIBKUUHPLO-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@H](CN[C@H](C)C(=O)NC)C1 ZINC001368506830 985228653 /nfs/dbraw/zinc/22/86/53/985228653.db2.gz GKEFOIBKUUHPLO-CHWSQXEVSA-N 1 3 314.430 -0.720 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCO[C@@H](CN[C@@H](C)C(=O)NC)C1 ZINC001368506836 985230292 /nfs/dbraw/zinc/23/02/92/985230292.db2.gz GKEFOIBKUUHPLO-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCO[C@@H](CN[C@@H](C)C(=O)NC)C1 ZINC001368506836 985230307 /nfs/dbraw/zinc/23/03/07/985230307.db2.gz GKEFOIBKUUHPLO-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CN2CC[C@@H](C)C2)C1 ZINC001368590851 985294197 /nfs/dbraw/zinc/29/41/97/985294197.db2.gz OBLWCCQTOKJLKR-MGPQQGTHSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@@H](C(=O)NC1(C[NH2+]C[C@@H](C)O)CCOCC1)N(C)C ZINC001368636091 985324250 /nfs/dbraw/zinc/32/42/50/985324250.db2.gz HIWZASFWLYJYHN-OLZOCXBDSA-N 1 3 301.431 -0.038 20 0 DBADHO CC[C@@H](C(=O)NC1(C[NH2+]CC(N)=O)CCOCC1)N(C)C ZINC001368637574 985326873 /nfs/dbraw/zinc/32/68/73/985326873.db2.gz QEMDBEUESSRSDN-NSHDSACASA-N 1 3 300.403 -0.933 20 0 DBADHO C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H](C)NCC(=O)NC1CC1 ZINC001368896178 985549066 /nfs/dbraw/zinc/54/90/66/985549066.db2.gz LCANCZXOPAYKAF-NWDGAFQWSA-N 1 3 308.426 -0.156 20 0 DBADHO COC[C@@H](O)CN1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001369093793 985712426 /nfs/dbraw/zinc/71/24/26/985712426.db2.gz UNWJPPAFWSETMQ-WFASDCNBSA-N 1 3 313.442 -0.228 20 0 DBADHO COC[C@H](O)CN1CC([C@H](C)NC(=O)C2CC[NH+](C)CC2)C1 ZINC001369093792 985715035 /nfs/dbraw/zinc/71/50/35/985715035.db2.gz UNWJPPAFWSETMQ-SWLSCSKDSA-N 1 3 313.442 -0.228 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001490905094 1015158954 /nfs/dbraw/zinc/15/89/54/1015158954.db2.gz XCDQGTVQVLGOIT-IJLUTSLNSA-N 1 3 305.444 -0.392 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1)N(C)C ZINC001369182864 985801579 /nfs/dbraw/zinc/80/15/79/985801579.db2.gz VOIPVBSWCYPTQN-SYQHCUMBSA-N 1 3 310.442 -0.055 20 0 DBADHO C[C@@H](CN(C)C(=O)COC1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001369280364 985841683 /nfs/dbraw/zinc/84/16/83/985841683.db2.gz DOKXIDRWZFLHMC-RYUDHWBXSA-N 1 3 314.430 -0.593 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CCC2=O)C1)N(C)C ZINC001490948726 1015168051 /nfs/dbraw/zinc/16/80/51/1015168051.db2.gz RWJGVTGYIVTQAR-AVGNSLFASA-N 1 3 324.425 -0.288 20 0 DBADHO CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369473334 986164122 /nfs/dbraw/zinc/16/41/22/986164122.db2.gz QBEYGDMXFZFKCG-CHWSQXEVSA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369473334 986164143 /nfs/dbraw/zinc/16/41/43/986164143.db2.gz QBEYGDMXFZFKCG-CHWSQXEVSA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369473339 986165122 /nfs/dbraw/zinc/16/51/22/986165122.db2.gz QBEYGDMXFZFKCG-STQMWFEESA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](O)CNCC(N)=O ZINC001369473339 986165146 /nfs/dbraw/zinc/16/51/46/986165146.db2.gz QBEYGDMXFZFKCG-STQMWFEESA-N 1 3 314.430 -0.857 20 0 DBADHO CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369476045 986175792 /nfs/dbraw/zinc/17/57/92/986175792.db2.gz PZXUDXDAVPKIIL-OLZOCXBDSA-N 1 3 314.430 -0.999 20 0 DBADHO CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNCC(N)=O ZINC001369476045 986175813 /nfs/dbraw/zinc/17/58/13/986175813.db2.gz PZXUDXDAVPKIIL-OLZOCXBDSA-N 1 3 314.430 -0.999 20 0 DBADHO CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCNS(C)(=O)=O)C1)N(C)C ZINC001491029828 1015198663 /nfs/dbraw/zinc/19/86/63/1015198663.db2.gz KAIIJKZSNHZDOH-GRYCIOLGSA-N 1 3 320.459 -0.887 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001370407289 986728222 /nfs/dbraw/zinc/72/82/22/986728222.db2.gz TUYIZQOYLZYOTG-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CC[C@H](N[C@@H](C)C(=O)NC(N)=O)C1 ZINC001370407289 986728231 /nfs/dbraw/zinc/72/82/31/986728231.db2.gz TUYIZQOYLZYOTG-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C1 ZINC001370716394 986920988 /nfs/dbraw/zinc/92/09/88/986920988.db2.gz WMSCITFWRDXEGE-CRWXNKLISA-N 1 3 301.431 -0.183 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001371041494 987191027 /nfs/dbraw/zinc/19/10/27/987191027.db2.gz HHSZOEODZKCQKO-SEBNEYGDSA-N 1 3 322.453 -0.150 20 0 DBADHO CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCN(C)C3=O)C[C@H]21)N(C)C ZINC001371041494 987191035 /nfs/dbraw/zinc/19/10/35/987191035.db2.gz HHSZOEODZKCQKO-SEBNEYGDSA-N 1 3 322.453 -0.150 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)NCCS(C)(=O)=O ZINC001371192366 987267142 /nfs/dbraw/zinc/26/71/42/987267142.db2.gz WTVQMZXYNVRECT-IJLUTSLNSA-N 1 3 305.444 -0.535 20 0 DBADHO C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)NCCS(C)(=O)=O ZINC001371192366 987267148 /nfs/dbraw/zinc/26/71/48/987267148.db2.gz WTVQMZXYNVRECT-IJLUTSLNSA-N 1 3 305.444 -0.535 20 0 DBADHO CC(C)N(C)CC(=O)NC[C@H](C)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC001371470139 987369185 /nfs/dbraw/zinc/36/91/85/987369185.db2.gz DJUASGYCFJMRJQ-STQMWFEESA-N 1 3 319.471 -0.144 20 0 DBADHO C[C@H](CCNC(=O)CN1CC[C@@H](C)C1)[NH2+]CCS(C)(=O)=O ZINC001371828806 987512733 /nfs/dbraw/zinc/51/27/33/987512733.db2.gz DXIWLXGCXLNIPZ-CHWSQXEVSA-N 1 3 319.471 -0.143 20 0 DBADHO C[C@@H]1CCN(CC(=O)N2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1 ZINC001372052611 987629938 /nfs/dbraw/zinc/62/99/38/987629938.db2.gz MAYUEQIOBOGUFE-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)CN1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001372564804 987809219 /nfs/dbraw/zinc/80/92/19/987809219.db2.gz GKTLVIKKVRGBED-KGLIPLIRSA-N 1 3 311.426 -0.330 20 0 DBADHO COC[C@H](O)CN1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001372564831 987809232 /nfs/dbraw/zinc/80/92/32/987809232.db2.gz GKTLVIKKVRGBED-ZIAGYGMSSA-N 1 3 311.426 -0.330 20 0 DBADHO CC[C@@H](C(=O)NC[C@H]1CC[N@H+](C[C@@H](O)COC)C1)N(C)C ZINC001372664955 987840265 /nfs/dbraw/zinc/84/02/65/987840265.db2.gz WKTCWCFTRBEQSL-MCIONIFRSA-N 1 3 301.431 -0.228 20 0 DBADHO CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1)N(C)C ZINC001372664955 987840268 /nfs/dbraw/zinc/84/02/68/987840268.db2.gz WKTCWCFTRBEQSL-MCIONIFRSA-N 1 3 301.431 -0.228 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001373144817 988121051 /nfs/dbraw/zinc/12/10/51/988121051.db2.gz BDQDTECDEXIMCX-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001373402536 988313616 /nfs/dbraw/zinc/31/36/16/988313616.db2.gz JUPBBZVNNMXOKY-KKUMJFAQSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001373402536 988313632 /nfs/dbraw/zinc/31/36/32/988313632.db2.gz JUPBBZVNNMXOKY-KKUMJFAQSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001373402533 988316964 /nfs/dbraw/zinc/31/69/64/988316964.db2.gz JUPBBZVNNMXOKY-ILXRZTDVSA-N 1 3 313.442 -0.084 20 0 DBADHO COC[C@@H](O)CN1CCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001373402533 988316978 /nfs/dbraw/zinc/31/69/78/988316978.db2.gz JUPBBZVNNMXOKY-ILXRZTDVSA-N 1 3 313.442 -0.084 20 0 DBADHO CNC(=O)C[NH2+]C[C@](C)(NC(=O)CN1CC[C@@H](C)C1)C1CC1 ZINC001373890293 988665581 /nfs/dbraw/zinc/66/55/81/988665581.db2.gz VCJPDUMOTMIEPA-WBMJQRKESA-N 1 3 310.442 -0.051 20 0 DBADHO CNC(=O)C[NH2+]C[C@](C)(NC(=O)CN1CC[C@H](C)C1)C1CC1 ZINC001373890289 988666047 /nfs/dbraw/zinc/66/60/47/988666047.db2.gz VCJPDUMOTMIEPA-LRDDRELGSA-N 1 3 310.442 -0.051 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC(N)=O ZINC001373960311 988694043 /nfs/dbraw/zinc/69/40/43/988694043.db2.gz OQCSFFICKFANRN-VXGBXAGGSA-N 1 3 302.394 -0.268 20 0 DBADHO CC[C@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001374065626 988764129 /nfs/dbraw/zinc/76/41/29/988764129.db2.gz CITJEBIKUPUMKE-GHMZBOCLSA-N 1 3 315.418 -0.876 20 0 DBADHO C[C@H](CNC(=O)CN1CC[C@@H](C)C1)C[NH2+]Cc1cnnn1C ZINC001374083383 988771086 /nfs/dbraw/zinc/77/10/86/988771086.db2.gz ZUBBHDMZJCNZPM-OLZOCXBDSA-N 1 3 308.430 -0.001 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374314010 988857189 /nfs/dbraw/zinc/85/71/89/988857189.db2.gz QGGDRROFVBMWHY-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](CNCC(=O)N1CCC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374314010 988857191 /nfs/dbraw/zinc/85/71/91/988857191.db2.gz QGGDRROFVBMWHY-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H](C[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C(=O)CN1CCCC1 ZINC001374328652 988857743 /nfs/dbraw/zinc/85/77/43/988857743.db2.gz WAUUOFJBMMPSOA-MNOVXSKESA-N 1 3 313.402 -0.898 20 0 DBADHO COC[C@H](O)CN(C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001374552354 988916517 /nfs/dbraw/zinc/91/65/17/988916517.db2.gz JVGWWUKAXRHNNC-ZIAGYGMSSA-N 1 3 301.431 -0.274 20 0 DBADHO COC[C@H](O)CN(C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001374552354 988916532 /nfs/dbraw/zinc/91/65/32/988916532.db2.gz JVGWWUKAXRHNNC-ZIAGYGMSSA-N 1 3 301.431 -0.274 20 0 DBADHO CNC(=O)CN1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001374560263 988921759 /nfs/dbraw/zinc/92/17/59/988921759.db2.gz AIWCZWHEKUHKEL-ZIAGYGMSSA-N 1 3 322.453 -0.003 20 0 DBADHO C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNCc1cnns1 ZINC001374617852 989031372 /nfs/dbraw/zinc/03/13/72/989031372.db2.gz MNYCGEYHHLPVKD-JQWIXIFHSA-N 1 3 313.427 -0.411 20 0 DBADHO C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)CNCc1cnns1 ZINC001374617852 989031383 /nfs/dbraw/zinc/03/13/83/989031383.db2.gz MNYCGEYHHLPVKD-JQWIXIFHSA-N 1 3 313.427 -0.411 20 0 DBADHO C[C@@H]([NH2+]C[C@H](O)CNC(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001374617671 989031456 /nfs/dbraw/zinc/03/14/56/989031456.db2.gz VAGAUXRZIBTNEZ-YPMHNXCESA-N 1 3 314.430 -0.986 20 0 DBADHO C[C@@H]([NH2+]C[C@@H](O)CNC(=O)CN(C)C1CCC1)C(=O)N(C)C ZINC001374617669 989032375 /nfs/dbraw/zinc/03/23/75/989032375.db2.gz VAGAUXRZIBTNEZ-DGCLKSJQSA-N 1 3 314.430 -0.986 20 0 DBADHO C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNCc1cnns1 ZINC001374617857 989033524 /nfs/dbraw/zinc/03/35/24/989033524.db2.gz MNYCGEYHHLPVKD-ZYHUDNBSSA-N 1 3 313.427 -0.411 20 0 DBADHO C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)CNCc1cnns1 ZINC001374617857 989033535 /nfs/dbraw/zinc/03/35/35/989033535.db2.gz MNYCGEYHHLPVKD-ZYHUDNBSSA-N 1 3 313.427 -0.411 20 0 DBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CCN1C(=O)CCC1=O ZINC001491477468 1015442308 /nfs/dbraw/zinc/44/23/08/1015442308.db2.gz JUKYEDCCYOVLLB-LBPRGKRZSA-N 1 3 324.425 -0.286 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)CC2CC[NH+](C)CC2)cn1 ZINC001374650690 989085504 /nfs/dbraw/zinc/08/55/04/989085504.db2.gz JUXRMTIANWIECR-OAHLLOKOSA-N 1 3 323.441 -0.281 20 0 DBADHO O=C(NC[C@H](O)CNCc1cncs1)C12CC[NH+](CC1)C2 ZINC001374674061 989122189 /nfs/dbraw/zinc/12/21/89/989122189.db2.gz XNBXZUQCISSDDO-LLVKDONJSA-N 1 3 310.423 -0.194 20 0 DBADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)NCC(=O)NC(N)=O ZINC001491486816 1015450491 /nfs/dbraw/zinc/45/04/91/1015450491.db2.gz PRYMWJWNSMGVQY-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)NCC(=O)NC(N)=O ZINC001491486816 1015450493 /nfs/dbraw/zinc/45/04/93/1015450493.db2.gz PRYMWJWNSMGVQY-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001374756547 989190576 /nfs/dbraw/zinc/19/05/76/989190576.db2.gz OEULLMSJACQZMX-RISCZKNCSA-N 1 3 308.426 -0.299 20 0 DBADHO CC(C)N(C)CC(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NC(N)=O ZINC001374848114 989260504 /nfs/dbraw/zinc/26/05/04/989260504.db2.gz CZYWYZWFQUXRDZ-NXEZZACHSA-N 1 3 301.391 -0.996 20 0 DBADHO CCNC(=O)CNC[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001375221753 989496682 /nfs/dbraw/zinc/49/66/82/989496682.db2.gz CUJOWHPYXYHFNW-HUUCEWRRSA-N 1 3 322.453 -0.051 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001375272669 989520162 /nfs/dbraw/zinc/52/01/62/989520162.db2.gz MWAYAQJTSBCWMN-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@H](CNCC(=O)N2CCC2)C2CC2)C1 ZINC001375272669 989520167 /nfs/dbraw/zinc/52/01/67/989520167.db2.gz MWAYAQJTSBCWMN-UONOGXRCSA-N 1 3 308.426 -0.345 20 0 DBADHO CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NC(N)=O)C1CC1)N(C)C ZINC001375273845 989525783 /nfs/dbraw/zinc/52/57/83/989525783.db2.gz TXFYGCKDRTZARH-GHMZBOCLSA-N 1 3 313.402 -0.994 20 0 DBADHO C[C@H]1CCN(CC(=O)N2CCC[C@@H]([NH+](CCO)CCO)C2)C1 ZINC001375636341 989708450 /nfs/dbraw/zinc/70/84/50/989708450.db2.gz VHEHMNZNMFEDFU-LSDHHAIUSA-N 1 3 313.442 -0.394 20 0 DBADHO COC[C@@H](O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001375888152 989823377 /nfs/dbraw/zinc/82/33/77/989823377.db2.gz IMVUEWPPVPFYCS-ZFWWWQNUSA-N 1 3 310.398 -0.212 20 0 DBADHO CC[N@H+](C)CCC(=O)NCC1(NCC(=O)NC)CCOCC1 ZINC001375981193 989833894 /nfs/dbraw/zinc/83/38/94/989833894.db2.gz PSEOIQCXFBOWQW-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO CC[N@@H+](C)CCC(=O)NCC1(NCC(=O)NC)CCOCC1 ZINC001375981193 989833896 /nfs/dbraw/zinc/83/38/96/989833896.db2.gz PSEOIQCXFBOWQW-UHFFFAOYSA-N 1 3 314.430 -0.671 20 0 DBADHO C[C@H](CNC(=O)COC1CC[NH+](C)CC1)N[C@@H](C)C(N)=O ZINC001491623907 1015528039 /nfs/dbraw/zinc/52/80/39/1015528039.db2.gz BLKPLFNTFHPZQN-MNOVXSKESA-N 1 3 300.403 -0.935 20 0 DBADHO C[C@H](N[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1)C(=O)N(C)C ZINC001376336490 990024555 /nfs/dbraw/zinc/02/45/55/990024555.db2.gz ICVNVKKEABUBML-STQMWFEESA-N 1 3 308.426 -0.251 20 0 DBADHO CCCN(C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)C(=O)NC(N)=O ZINC001491648459 1015543445 /nfs/dbraw/zinc/54/34/45/1015543445.db2.gz FPTZOFUYMQMINT-NXEZZACHSA-N 1 3 301.391 -0.994 20 0 DBADHO COC[C@@H](O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376966228 990403576 /nfs/dbraw/zinc/40/35/76/990403576.db2.gz MSGMDKLPUDGZCT-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO COC[C@@H](O)C[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCN1C ZINC001376966228 990403582 /nfs/dbraw/zinc/40/35/82/990403582.db2.gz MSGMDKLPUDGZCT-UONOGXRCSA-N 1 3 301.431 -0.132 20 0 DBADHO COCCN1CCC(CO)(NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001377567656 990656607 /nfs/dbraw/zinc/65/66/07/990656607.db2.gz LKUVYKMHDGAMSF-UHFFFAOYSA-N 1 3 313.442 -0.082 20 0 DBADHO CN(CCN[C@H]1CCCN(C)C1=O)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001377572961 990660797 /nfs/dbraw/zinc/66/07/97/990660797.db2.gz BGZZKSHWYQRZHY-CABCVRRESA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CCN[C@@H]1CCCN(C)C1=O)C(=O)C1(C[NH+](C)C)CC1 ZINC001377578777 990663933 /nfs/dbraw/zinc/66/39/33/990663933.db2.gz GZKWVNPIIJYXKB-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO COC[C@H](O)C[NH2+]CC1CC(NC(=O)C2(N(C)C)CCC2)C1 ZINC001377719375 990707300 /nfs/dbraw/zinc/70/73/00/990707300.db2.gz ZVPLNVXODRJVBC-JXQTWKCFSA-N 1 3 313.442 -0.038 20 0 DBADHO CC[C@@H](C(=O)NC1CC(C[NH2+]CC(=O)NC(N)=O)C1)N(C)C ZINC001377729785 990711777 /nfs/dbraw/zinc/71/17/77/990711777.db2.gz WTFFCELTXYWFAV-ILDUYXDCSA-N 1 3 313.402 -0.994 20 0 DBADHO COC[C@H](O)CN1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001378167463 990873224 /nfs/dbraw/zinc/87/32/24/990873224.db2.gz SBDBCQVZMUACTJ-UONOGXRCSA-N 1 3 313.442 -0.132 20 0 DBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)NCC(=O)NC(N)=O ZINC001378317012 990927833 /nfs/dbraw/zinc/92/78/33/990927833.db2.gz LELNKVCWAAAXJU-WDEREUQCSA-N 1 3 313.402 -0.993 20 0 DBADHO CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)NCC(=O)NC(N)=O ZINC001378317012 990927839 /nfs/dbraw/zinc/92/78/39/990927839.db2.gz LELNKVCWAAAXJU-WDEREUQCSA-N 1 3 313.402 -0.993 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001378497345 990996145 /nfs/dbraw/zinc/99/61/45/990996145.db2.gz BTGLKEBIHBMKCT-OLZOCXBDSA-N 1 3 316.421 -0.007 20 0 DBADHO CC[N@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001378506581 991000899 /nfs/dbraw/zinc/00/08/99/991000899.db2.gz CSKMNOSNXRHTJJ-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1CNCC(=O)NC(N)=O ZINC001378506581 991000905 /nfs/dbraw/zinc/00/09/05/991000905.db2.gz CSKMNOSNXRHTJJ-LLVKDONJSA-N 1 3 313.402 -0.896 20 0 DBADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)NCc1cnnn1C ZINC001379013166 991277497 /nfs/dbraw/zinc/27/74/97/991277497.db2.gz UTEXXSNLYZGADQ-TZMCWYRMSA-N 1 3 308.430 -0.003 20 0 DBADHO CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)NCc1cnnn1C ZINC001379013166 991277519 /nfs/dbraw/zinc/27/75/19/991277519.db2.gz UTEXXSNLYZGADQ-TZMCWYRMSA-N 1 3 308.430 -0.003 20 0 DBADHO CN(C)C(=O)CNC[C@H](C1CC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001379041591 991298619 /nfs/dbraw/zinc/29/86/19/991298619.db2.gz KSGRMGIDVGVSKC-CQSZACIVSA-N 1 3 322.453 -0.003 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2ccnn2C)CC[N@@H+]1C ZINC001379212231 991438075 /nfs/dbraw/zinc/43/80/75/991438075.db2.gz SCVGZDFKUZWHTR-SOUVJXGZSA-N 1 3 323.441 -0.283 20 0 DBADHO CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)CNCc2ccnn2C)CC[N@H+]1C ZINC001379212231 991438080 /nfs/dbraw/zinc/43/80/80/991438080.db2.gz SCVGZDFKUZWHTR-SOUVJXGZSA-N 1 3 323.441 -0.283 20 0 DBADHO CCN(CCN[C@H](C)C(N)=O)C(=O)COC1CC[NH+](C)CC1 ZINC001379319415 991544622 /nfs/dbraw/zinc/54/46/22/991544622.db2.gz PJQVTIAFLAHGDW-GFCCVEGCSA-N 1 3 314.430 -0.591 20 0 DBADHO CCN(C)C(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001491839460 1015646387 /nfs/dbraw/zinc/64/63/87/1015646387.db2.gz WGMSWUFJKACVFS-LBPRGKRZSA-N 1 3 307.398 -0.131 20 0 DBADHO C[C@H](CN[C@H]1CCN(C)C1=O)NC(=O)C12CCC[NH+]1CCC2 ZINC001379396636 991627768 /nfs/dbraw/zinc/62/77/68/991627768.db2.gz MAJIKSDZLWLNPJ-OLZOCXBDSA-N 1 3 308.426 -0.060 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001379446115 991678810 /nfs/dbraw/zinc/67/88/10/991678810.db2.gz UTTQLIPTEGUWFO-VXGBXAGGSA-N 1 3 314.430 -0.674 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H](C[NH2+][C@H]2CCN(C)C2=O)C1 ZINC001491850448 1015652472 /nfs/dbraw/zinc/65/24/72/1015652472.db2.gz TZIDSFKLXYMCTB-KGLIPLIRSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CCN(CC(=O)NC[C@H](CO)[NH2+]CCn2cccn2)C1 ZINC001379480085 991709378 /nfs/dbraw/zinc/70/93/78/991709378.db2.gz RMWSCIYHOUOKJN-UONOGXRCSA-N 1 3 309.414 -0.708 20 0 DBADHO C[C@@H](CNCC(=O)NC1CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001379515926 991753454 /nfs/dbraw/zinc/75/34/54/991753454.db2.gz OEULLMSJACQZMX-FZMZJTMJSA-N 1 3 308.426 -0.299 20 0 DBADHO CN(C[C@@H](O)C[NH2+]C[C@H]1CCCCO1)C(=O)Cc1c[nH]cn1 ZINC001379838311 991951439 /nfs/dbraw/zinc/95/14/39/991951439.db2.gz HKOKYVSJULXPMS-UONOGXRCSA-N 1 3 310.398 -0.070 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@H]1CCCNC1=O ZINC001379854834 991974409 /nfs/dbraw/zinc/97/44/09/991974409.db2.gz JYZNKIDJDQRYPM-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](O)CN[C@H]1CCCNC1=O ZINC001379854834 991974428 /nfs/dbraw/zinc/97/44/28/991974428.db2.gz JYZNKIDJDQRYPM-STQMWFEESA-N 1 3 314.430 -0.984 20 0 DBADHO CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC(N)=O)N(C)C ZINC001380286859 992231879 /nfs/dbraw/zinc/23/18/79/992231879.db2.gz PZKKHFRUAAKFRB-QWRGUYRKSA-N 1 3 313.402 -0.898 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@]1(C)CCN(C(=O)Cc2c[nH]cn2)C1 ZINC001380427576 992313863 /nfs/dbraw/zinc/31/38/63/992313863.db2.gz YJZXAQCNYBGNET-HNNXBMFYSA-N 1 3 307.398 -0.131 20 0 DBADHO CC(C)[C@@H](C(=O)NCC1([NH2+]CCO)CCOCC1)N(C)C ZINC001380499871 992334354 /nfs/dbraw/zinc/33/43/54/992334354.db2.gz IVSJLRASDNJQRC-ZDUSSCGKSA-N 1 3 301.431 -0.180 20 0 DBADHO CC[C@@H](C(=O)NCC1([NH2+]C[C@H](C)O)CCOCC1)N(C)C ZINC001380504703 992339017 /nfs/dbraw/zinc/33/90/17/992339017.db2.gz QAUAQAZFYDOBSJ-STQMWFEESA-N 1 3 301.431 -0.038 20 0 DBADHO CC[C@H](N)C(=O)N1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001549050708 1015700443 /nfs/dbraw/zinc/70/04/43/1015700443.db2.gz QAGAJJVZSKPGMX-AVGNSLFASA-N 1 3 309.414 -0.530 20 0 DBADHO CCC[C@H](N)C(=O)N1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC001549049291 1015700556 /nfs/dbraw/zinc/70/05/56/1015700556.db2.gz JUSMQDDQEKLOGS-MELADBBJSA-N 1 3 323.441 -0.140 20 0 DBADHO NCc1cn([C@@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@@H]3COC4)C2)nn1 ZINC001549124763 1015705311 /nfs/dbraw/zinc/70/53/11/1015705311.db2.gz RQTGRDUJLZMSDT-KYOSRNDESA-N 1 3 320.397 -0.864 20 0 DBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@H+](CCn2cccn2)C1)N(C)C ZINC001380567367 992400091 /nfs/dbraw/zinc/40/00/91/992400091.db2.gz RNKICOMFMRCMGD-ZBFHGGJFSA-N 1 3 323.441 -0.224 20 0 DBADHO CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CCn2cccn2)C1)N(C)C ZINC001380567367 992400098 /nfs/dbraw/zinc/40/00/98/992400098.db2.gz RNKICOMFMRCMGD-ZBFHGGJFSA-N 1 3 323.441 -0.224 20 0 DBADHO C[C@H](O)CN1CCC[C@](CO)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001380747788 992517165 /nfs/dbraw/zinc/51/71/65/992517165.db2.gz KHEAMSGNMWKRIB-BBRMVZONSA-N 1 3 313.442 -0.348 20 0 DBADHO C[C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1NCC(=O)N1CCCC1 ZINC001381110783 992669366 /nfs/dbraw/zinc/66/93/66/992669366.db2.gz XYVUIIFATSWFAC-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)N1CCC(O)(C[NH2+]CC(=O)NC)CC1)N(C)C ZINC001381156819 992688915 /nfs/dbraw/zinc/68/89/15/992688915.db2.gz PZRVTVOWORGTFF-LBPRGKRZSA-N 1 3 314.430 -0.984 20 0 DBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001381197729 992707970 /nfs/dbraw/zinc/70/79/70/992707970.db2.gz YLQQKOLOIQFHSJ-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@H](O)CN1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001381259864 992732053 /nfs/dbraw/zinc/73/20/53/992732053.db2.gz RPFSKOFDODCKNT-ZDUSSCGKSA-N 1 3 311.426 -0.594 20 0 DBADHO CNC(=O)CN[C@@H](C)[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001381441619 992803470 /nfs/dbraw/zinc/80/34/70/992803470.db2.gz VHGVHXRBAYYHOG-NWDGAFQWSA-N 1 3 314.430 -0.674 20 0 DBADHO CC[C@H](C(=O)N[C@@H](C)C1C[NH+](C[C@@H](O)COC)C1)N(C)C ZINC001381796295 992884602 /nfs/dbraw/zinc/88/46/02/992884602.db2.gz PWSINUYDHBSVAM-IACUBPJLSA-N 1 3 301.431 -0.230 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCN(C)C[C@@H](O)Cn2cccn2)CC[N@@H+]1C ZINC001492257736 1015754772 /nfs/dbraw/zinc/75/47/72/1015754772.db2.gz UXKSVKKINPBLBB-RBSFLKMASA-N 1 3 323.441 -0.368 20 0 DBADHO C[C@@H]1[C@H](C(=O)NCCN(C)C[C@@H](O)Cn2cccn2)CC[N@H+]1C ZINC001492257736 1015754783 /nfs/dbraw/zinc/75/47/83/1015754783.db2.gz UXKSVKKINPBLBB-RBSFLKMASA-N 1 3 323.441 -0.368 20 0 DBADHO CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC1CCOCC1)N(C)C ZINC001382267346 993106446 /nfs/dbraw/zinc/10/64/46/993106446.db2.gz HUWMDBHERMFRFT-KBPBESRZSA-N 1 3 301.431 -0.180 20 0 DBADHO [NH3+][C@@H]1CCN(c2cccc(CNC(=O)C[C@H]3CNCCO3)n2)C1 ZINC001549727505 1015762383 /nfs/dbraw/zinc/76/23/83/1015762383.db2.gz XRLKTRZZRLRGBY-OCCSQVGLSA-N 1 3 319.409 -0.386 20 0 DBADHO CN1CC[C@H](N[C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)C1=O ZINC001382366054 993174692 /nfs/dbraw/zinc/17/46/92/993174692.db2.gz DTFTXOHYFSEEMC-QWHCGFSZSA-N 1 3 310.442 -0.005 20 0 DBADHO CN(C)C(=O)CN[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC001382374448 993181847 /nfs/dbraw/zinc/18/18/47/993181847.db2.gz DCJFVBBZDKLRFT-ZDUSSCGKSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001382436591 993252694 /nfs/dbraw/zinc/25/26/94/993252694.db2.gz AGGGQQPZFSZMKW-TZMCWYRMSA-N 1 3 309.414 -0.719 20 0 DBADHO CN(C[C@H](O)CNCc1ccnn1C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001382436591 993252706 /nfs/dbraw/zinc/25/27/06/993252706.db2.gz AGGGQQPZFSZMKW-TZMCWYRMSA-N 1 3 309.414 -0.719 20 0 DBADHO CCC1(N2CCOCC2)CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC001550085489 1015787374 /nfs/dbraw/zinc/78/73/74/1015787374.db2.gz PGSDXAPUWABORP-KGLIPLIRSA-N 1 3 311.426 -0.187 20 0 DBADHO CC(C)(C(=O)N1CC[C@@H](n2cc(CN)nn2)C1)N1CC[NH2+]CC1 ZINC001550097177 1015791716 /nfs/dbraw/zinc/79/17/16/1015791716.db2.gz ALQVKOVOBJDSRV-CYBMUJFWSA-N 1 3 321.429 -0.806 20 0 DBADHO CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H](n3cc(CN)nn3)C2)C1 ZINC001550096040 1015792209 /nfs/dbraw/zinc/79/22/09/1015792209.db2.gz UDMTUCDVQRIMBZ-SGMGOOAPSA-N 1 3 308.386 -0.723 20 0 DBADHO NCc1cn([C@@H]2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)C2)nn1 ZINC001550096254 1015792275 /nfs/dbraw/zinc/79/22/75/1015792275.db2.gz IJJPPHZKPYSTCZ-UMVBOHGHSA-N 1 3 304.398 -0.100 20 0 DBADHO O=C(NCC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN2C[C@@H](O)C[C@H]2C1 ZINC001550277742 1015801897 /nfs/dbraw/zinc/80/18/97/1015801897.db2.gz OJVAVPXGSWXRMT-CHZLEKFTSA-N 1 3 308.426 -0.023 20 0 DBADHO O[C@@H]1C[C@@H]2CN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CCN2C1 ZINC001550351755 1015802176 /nfs/dbraw/zinc/80/21/76/1015802176.db2.gz WPHZUYUGBPRBJZ-GZBFAFLISA-N 1 3 306.414 -0.547 20 0 DBADHO CN1[C@H](CO)C[C@@H]2CN(C(=O)N[C@H]3CC[NH2+]C34CCC4)C[C@H]21 ZINC001550735282 1015812539 /nfs/dbraw/zinc/81/25/39/1015812539.db2.gz CSQQSXMWXIBUSN-RQJABVFESA-N 1 3 308.426 -0.023 20 0 DBADHO O=C(NCc1cccc2c1CC[NH2+]C2)N1CCNC[C@@H](O)C1 ZINC001550737642 1015812581 /nfs/dbraw/zinc/81/25/81/1015812581.db2.gz CNBZEEZYDOOEPO-CQSZACIVSA-N 1 3 304.394 -0.192 20 0 DBADHO [NH3+][C@@H]1c2ccccc2C[C@H]1NC(=O)NCCN1CC[C@H](O)C1 ZINC001551503448 1015828125 /nfs/dbraw/zinc/82/81/25/1015828125.db2.gz JJGHZSLDUUMUMV-NWANDNLSSA-N 1 3 304.394 -0.023 20 0 DBADHO CO[C@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N2CCNCC2(C)C)nn1 ZINC001552160793 1015843202 /nfs/dbraw/zinc/84/32/02/1015843202.db2.gz JJNIVKCRLAVHPE-AAEUAGOBSA-N 1 3 322.413 -0.810 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@@H]1c1cn(CC(=O)N[C@@H]2CCCN(C)C2)nn1 ZINC001552169121 1015844840 /nfs/dbraw/zinc/84/48/40/1015844840.db2.gz WCQFDEFFFDOTLM-YRGRVCCFSA-N 1 3 322.413 -0.810 20 0 DBADHO CO[C@@H]1C[NH2+]C[C@H]1c1cn(CC(=O)N(C)[C@H]2CCN(C)C2)nn1 ZINC001552257195 1015851547 /nfs/dbraw/zinc/85/15/47/1015851547.db2.gz JOVKLNWDWVEMJZ-SGMGOOAPSA-N 1 3 322.413 -0.858 20 0 DBADHO CN1CCN(C2CCN(C(=O)[C@@]34C[NH2+]C[C@H]3COC4)CC2)CC1 ZINC001552259535 1015851830 /nfs/dbraw/zinc/85/18/30/1015851830.db2.gz MIJQBOXLRCAHTH-WMLDXEAASA-N 1 3 322.453 -0.539 20 0 DBADHO CN(C)C[C@H]1CN(C(=O)c2cnnn2C2CC[NH2+]CC2)CCO1 ZINC001552436665 1015860088 /nfs/dbraw/zinc/86/00/88/1015860088.db2.gz BMTPIGSSAJMMKA-ZDUSSCGKSA-N 1 3 322.413 -0.395 20 0 DBADHO O=C(NC[C@@H]1CNCCO1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC001552440509 1015861996 /nfs/dbraw/zinc/86/19/96/1015861996.db2.gz CEZIDXFZIZJUHH-RYUDHWBXSA-N 1 3 308.386 -0.689 20 0 DBADHO CNC(=O)NC(=O)[C@H](C)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001401248195 994496541 /nfs/dbraw/zinc/49/65/41/994496541.db2.gz SBXFVOITEFJIBP-MNOVXSKESA-N 1 3 315.418 -0.781 20 0 DBADHO C[C@H](CNCC(=O)N1CCC1)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC001401250405 994496658 /nfs/dbraw/zinc/49/66/58/994496658.db2.gz FHQDDSNFNLVARL-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@H]1CCCCO1 ZINC001401572650 994667308 /nfs/dbraw/zinc/66/73/08/994667308.db2.gz VRQXPNLZMVHHLK-QWHCGFSZSA-N 1 3 310.398 -0.104 20 0 DBADHO CCCN(C)CC(=O)NC[C@H](O)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001401575397 994673352 /nfs/dbraw/zinc/67/33/52/994673352.db2.gz USZQOGHCMLWETQ-CHWSQXEVSA-N 1 3 314.430 -0.984 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cn1 ZINC001401590748 994687068 /nfs/dbraw/zinc/68/70/68/994687068.db2.gz WUXOPEWVZJSLRQ-GXTWGEPZSA-N 1 3 309.414 -0.671 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)C[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001401590748 994687074 /nfs/dbraw/zinc/68/70/74/994687074.db2.gz WUXOPEWVZJSLRQ-GXTWGEPZSA-N 1 3 309.414 -0.671 20 0 DBADHO N[C@H]1C[C@H]2CN(Cc3ccc(N4CC[NH2+]CC4)o3)CCN2C1=O ZINC001553309846 1015882527 /nfs/dbraw/zinc/88/25/27/1015882527.db2.gz JWNLFSSEPADAFI-JSGCOSHPSA-N 1 3 319.409 -0.567 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)CC1 ZINC001553411057 1015890619 /nfs/dbraw/zinc/89/06/19/1015890619.db2.gz QRDIBYOVCVTONO-QPSCCSFWSA-N 1 3 310.442 -0.352 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](O)COC ZINC001401719930 994780526 /nfs/dbraw/zinc/78/05/26/994780526.db2.gz BOWHMFPYYWHKEH-BFHYXJOUSA-N 1 3 301.431 -0.038 20 0 DBADHO CCN1CCN([C@H](C)CNC(=O)[C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)CC1 ZINC001553411029 1015890176 /nfs/dbraw/zinc/89/01/76/1015890176.db2.gz QRDIBYOVCVTONO-APIJFGDWSA-N 1 3 310.442 -0.352 20 0 DBADHO O=C(NC1CCN([C@@H]2CCOC2)CC1)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1 ZINC001553423808 1015891359 /nfs/dbraw/zinc/89/13/59/1015891359.db2.gz OAEOXGQNEAXNSU-APIJFGDWSA-N 1 3 309.410 -0.125 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401865823 994833180 /nfs/dbraw/zinc/83/31/80/994833180.db2.gz MHVUNFKSBSNSCG-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO CCNC(=O)CNC[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001401865823 994833185 /nfs/dbraw/zinc/83/31/85/994833185.db2.gz MHVUNFKSBSNSCG-OCCSQVGLSA-N 1 3 310.442 -0.051 20 0 DBADHO O=C(NC[C@@H]1C[NH2+]CCO1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001553502496 1015895256 /nfs/dbraw/zinc/89/52/56/1015895256.db2.gz KRACISPSJGHMCK-IHRRRGAJSA-N 1 3 312.414 -0.785 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]21)N(C)C ZINC001386587277 994976900 /nfs/dbraw/zinc/97/69/00/994976900.db2.gz NVNYPVZGFUPMSQ-SBJFKYEJSA-N 1 3 322.453 -0.149 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]21)N(C)C ZINC001386587277 994976915 /nfs/dbraw/zinc/97/69/15/994976915.db2.gz NVNYPVZGFUPMSQ-SBJFKYEJSA-N 1 3 322.453 -0.149 20 0 DBADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@H+](CCO)C1)N1CCCCC1 ZINC001402270697 995025006 /nfs/dbraw/zinc/02/50/06/995025006.db2.gz NAZMLGNPVSHJIK-INIZCTEOSA-N 1 3 313.442 -0.204 20 0 DBADHO CC(C)(C(=O)NC[C@@]1(O)CC[N@@H+](CCO)C1)N1CCCCC1 ZINC001402270697 995025018 /nfs/dbraw/zinc/02/50/18/995025018.db2.gz NAZMLGNPVSHJIK-INIZCTEOSA-N 1 3 313.442 -0.204 20 0 DBADHO CC(C)NC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001402377065 995116262 /nfs/dbraw/zinc/11/62/62/995116262.db2.gz OPKNUXFMPJUHFB-KGLIPLIRSA-N 1 3 310.442 -0.053 20 0 DBADHO CC(C)NC(=O)CN[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001402377065 995116270 /nfs/dbraw/zinc/11/62/70/995116270.db2.gz OPKNUXFMPJUHFB-KGLIPLIRSA-N 1 3 310.442 -0.053 20 0 DBADHO NC(=O)CNC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CCO1 ZINC001402591580 995202766 /nfs/dbraw/zinc/20/27/66/995202766.db2.gz GDSPEVPGEWSFNR-CYBMUJFWSA-N 1 3 312.414 -0.835 20 0 DBADHO CC(C)N(C)CC(=O)N1CCC[C@](CO)([NH2+]C[C@@H](C)O)C1 ZINC001402733249 995265022 /nfs/dbraw/zinc/26/50/22/995265022.db2.gz BVHUMLLSNHMCFR-HIFRSBDPSA-N 1 3 301.431 -0.350 20 0 DBADHO C[C@@H]1CN(C(=O)C2(N(C)C)CCC2)C[C@@H]1[NH2+]CC(=O)N(C)C ZINC001402775738 995277771 /nfs/dbraw/zinc/27/77/71/995277771.db2.gz UYYPIKICORVDPM-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001402779817 995279766 /nfs/dbraw/zinc/27/97/66/995279766.db2.gz GYQJVDADURZHRJ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](NCC(=O)N2CCC2)C1 ZINC001402779817 995279776 /nfs/dbraw/zinc/27/97/76/995279776.db2.gz GYQJVDADURZHRJ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001402800786 995289116 /nfs/dbraw/zinc/28/91/16/995289116.db2.gz HBXFOTYCWKWJMQ-ZUWCUPBKSA-N 1 3 308.426 -0.348 20 0 DBADHO CC[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001402800786 995289128 /nfs/dbraw/zinc/28/91/28/995289128.db2.gz HBXFOTYCWKWJMQ-ZUWCUPBKSA-N 1 3 308.426 -0.348 20 0 DBADHO C[C@@H](CCNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001402823688 995298397 /nfs/dbraw/zinc/29/83/97/995298397.db2.gz MVOZPCLRGQUEHM-JTQLQIEISA-N 1 3 313.402 -0.850 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001402822834 995299195 /nfs/dbraw/zinc/29/91/95/995299195.db2.gz HBXFOTYCWKWJMQ-ITGHMWBKSA-N 1 3 308.426 -0.348 20 0 DBADHO CC[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCCNC3=O)C[C@H]21)N(C)C ZINC001402822834 995299201 /nfs/dbraw/zinc/29/92/01/995299201.db2.gz HBXFOTYCWKWJMQ-ITGHMWBKSA-N 1 3 308.426 -0.348 20 0 DBADHO CNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)CN(C)C1CCC1 ZINC001402908131 995336319 /nfs/dbraw/zinc/33/63/19/995336319.db2.gz PYUXHNHRKQLXHX-JTQLQIEISA-N 1 3 313.402 -0.979 20 0 DBADHO C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)N[C@H]1CCCNC1=O ZINC001402918352 995339684 /nfs/dbraw/zinc/33/96/84/995339684.db2.gz BIYIALCUISYMRD-STQMWFEESA-N 1 3 308.426 -0.012 20 0 DBADHO C[C@@H](CNC(=O)COC1CC[NH+](C)CC1)N[C@@H]1CCNC1=O ZINC001403070463 995395935 /nfs/dbraw/zinc/39/59/35/995395935.db2.gz NUCVOJPNFKNDJI-WCQYABFASA-N 1 3 312.414 -0.920 20 0 DBADHO CCN1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(N)=O ZINC001403153960 995428361 /nfs/dbraw/zinc/42/83/61/995428361.db2.gz ARLXYAHJZDVFCI-WDEREUQCSA-N 1 3 313.402 -0.850 20 0 DBADHO CN(C)C(=O)C[NH2+]C[C@H]1CCN(C(=O)C2(N(C)C)CCC2)C1 ZINC001403228256 995460362 /nfs/dbraw/zinc/46/03/62/995460362.db2.gz IIIVALCQHGTWPX-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(C)C1(C(=O)NC2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CCC1 ZINC001387747956 995464798 /nfs/dbraw/zinc/46/47/98/995464798.db2.gz PRXAHMHCNFQGQO-LBPRGKRZSA-N 1 3 308.426 -0.251 20 0 DBADHO CN(C)C1(C(=O)NC2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CCC1 ZINC001387747956 995464801 /nfs/dbraw/zinc/46/48/01/995464801.db2.gz PRXAHMHCNFQGQO-LBPRGKRZSA-N 1 3 308.426 -0.251 20 0 DBADHO CNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@H](C)C2)C1 ZINC001403437827 995525666 /nfs/dbraw/zinc/52/56/66/995525666.db2.gz HVPXFERRDUOUJV-CRWXNKLISA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001403619472 995599042 /nfs/dbraw/zinc/59/90/42/995599042.db2.gz AFCGGZLSZXLIRG-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C)C1)NCC(=O)N(C)C1CC1 ZINC001403619472 995599049 /nfs/dbraw/zinc/59/90/49/995599049.db2.gz AFCGGZLSZXLIRG-STQMWFEESA-N 1 3 310.442 -0.005 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](CO)[NH2+]Cc1ccn(C)c(=O)c1)N(C)C ZINC001403732712 995679018 /nfs/dbraw/zinc/67/90/18/995679018.db2.gz VTPJMCGUJGLUAR-UONOGXRCSA-N 1 3 324.425 -0.708 20 0 DBADHO C[C@@H]1C[C@@H](NCc2nc(=O)n(C)[n-]2)CN1C(=O)CCC[NH+](C)C ZINC001403754479 995690919 /nfs/dbraw/zinc/69/09/19/995690919.db2.gz VUIPVACRBMDSNS-VXGBXAGGSA-N 1 3 324.429 -0.471 20 0 DBADHO C[C@@H]1C[C@@H](NCc2nc(=O)n(C)[nH]2)CN1C(=O)CCC[NH+](C)C ZINC001403754479 995690923 /nfs/dbraw/zinc/69/09/23/995690923.db2.gz VUIPVACRBMDSNS-VXGBXAGGSA-N 1 3 324.429 -0.471 20 0 DBADHO CC[C@@H](C(=O)N(C)C[C@H](O)C[NH2+]Cc1ccnn1C)N(C)C ZINC001403854468 995734903 /nfs/dbraw/zinc/73/49/03/995734903.db2.gz BUUIZLHBLCMAHI-KGLIPLIRSA-N 1 3 311.430 -0.331 20 0 DBADHO CN(CCNCC(=O)N1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001493548935 1015984530 /nfs/dbraw/zinc/98/45/30/1015984530.db2.gz BDTSPIJPEQZBPU-HNNXBMFYSA-N 1 3 322.453 -0.001 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001389340674 995942972 /nfs/dbraw/zinc/94/29/72/995942972.db2.gz BVNNXXYCFKUTGC-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)NC1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001389340674 995942977 /nfs/dbraw/zinc/94/29/77/995942977.db2.gz BVNNXXYCFKUTGC-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO C[NH+](C)CC1(C(=O)NC2CN(C(=O)Cc3c[nH]cn3)C2)CC1 ZINC001389397148 995965537 /nfs/dbraw/zinc/96/55/37/995965537.db2.gz RUOBQZCTBKXOLG-UHFFFAOYSA-N 1 3 305.382 -0.379 20 0 DBADHO CC1CCN(CC(=O)N2CC(NC(=O)CC[NH+](C)C)C2)CC1 ZINC001389421445 995976002 /nfs/dbraw/zinc/97/60/02/995976002.db2.gz HQEFOSXLTXDQIF-UHFFFAOYSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@@H](C(=O)NC1CN(C(=O)C2CC[NH+](C)CC2)C1)N(C)C ZINC001389471062 996000360 /nfs/dbraw/zinc/00/03/60/996000360.db2.gz ICVAYHCFKRBOQB-AWEZNQCLSA-N 1 3 310.442 -0.005 20 0 DBADHO CNC(=O)CN[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001389598793 996039061 /nfs/dbraw/zinc/03/90/61/996039061.db2.gz ADPZDQVXKAGJSK-KGLIPLIRSA-N 1 3 308.426 -0.441 20 0 DBADHO CN(C)C(=O)CN[C@H](CNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001389644665 996055138 /nfs/dbraw/zinc/05/51/38/996055138.db2.gz NDFVKBKPJWEPKM-CQSZACIVSA-N 1 3 310.442 -0.099 20 0 DBADHO Cn1nncc1CN[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001389682658 996069347 /nfs/dbraw/zinc/06/93/47/996069347.db2.gz DBWVEPSSBRJLIY-JSGCOSHPSA-N 1 3 306.414 -0.249 20 0 DBADHO Cn1nncc1CN[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001389682658 996069349 /nfs/dbraw/zinc/06/93/49/996069349.db2.gz DBWVEPSSBRJLIY-JSGCOSHPSA-N 1 3 306.414 -0.249 20 0 DBADHO CCCN(C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001390009413 996162341 /nfs/dbraw/zinc/16/23/41/996162341.db2.gz XKHGEJUHVWLZIZ-MXWKQRLJSA-N 1 3 313.402 -0.852 20 0 DBADHO COC[C@@H](O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001390226811 996206640 /nfs/dbraw/zinc/20/66/40/996206640.db2.gz VVVFWFCWYCCVME-AQRJEWBLSA-N 1 3 311.426 -0.618 20 0 DBADHO COC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1CC[C@@H](C)C1 ZINC001390226811 996206647 /nfs/dbraw/zinc/20/66/47/996206647.db2.gz VVVFWFCWYCCVME-AQRJEWBLSA-N 1 3 311.426 -0.618 20 0 DBADHO CC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCOCC1)N(C)C ZINC001390482127 996274348 /nfs/dbraw/zinc/27/43/48/996274348.db2.gz OIEVSDZJFUYUEX-STQMWFEESA-N 1 3 314.430 -0.720 20 0 DBADHO CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O)N(C)C ZINC001390512870 996283923 /nfs/dbraw/zinc/28/39/23/996283923.db2.gz YNCKKWPTJPMQPN-OLZOCXBDSA-N 1 3 313.446 -0.308 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001390557261 996301881 /nfs/dbraw/zinc/30/18/81/996301881.db2.gz OJPLXBWYTFBJNQ-QWHCGFSZSA-N 1 3 316.421 -0.055 20 0 DBADHO COC[C@@H](O)C[N@@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001391119028 996458986 /nfs/dbraw/zinc/45/89/86/996458986.db2.gz RPVOREOIRDXFSF-KGLIPLIRSA-N 1 3 301.431 -0.228 20 0 DBADHO COC[C@@H](O)C[N@H+]1CC[C@H](CNC(=O)CN(C)C(C)C)C1 ZINC001391119028 996458992 /nfs/dbraw/zinc/45/89/92/996458992.db2.gz RPVOREOIRDXFSF-KGLIPLIRSA-N 1 3 301.431 -0.228 20 0 DBADHO CN1CCC[C@@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001391092493 996446874 /nfs/dbraw/zinc/44/68/74/996446874.db2.gz CVMPRAZTEDWPMJ-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CN1CCC[C@H](N2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001391092487 996447325 /nfs/dbraw/zinc/44/73/25/996447325.db2.gz CVMPRAZTEDWPMJ-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]([NH2+]CCN(C)C(=O)CN(C)C1CCC1)C(=O)NC(N)=O ZINC001391211757 996490751 /nfs/dbraw/zinc/49/07/51/996490751.db2.gz RXUDNHQUNRWUIX-JTQLQIEISA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001391226854 996495963 /nfs/dbraw/zinc/49/59/63/996495963.db2.gz LDIPKQRKCFTOFP-MELADBBJSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001391226854 996495965 /nfs/dbraw/zinc/49/59/65/996495965.db2.gz LDIPKQRKCFTOFP-MELADBBJSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001391226853 996496189 /nfs/dbraw/zinc/49/61/89/996496189.db2.gz LDIPKQRKCFTOFP-IHRRRGAJSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H]1C[C@@H](C(=O)N(C)CCN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001391226853 996496191 /nfs/dbraw/zinc/49/61/91/996496191.db2.gz LDIPKQRKCFTOFP-IHRRRGAJSA-N 1 3 310.442 -0.005 20 0 DBADHO CCN1CC[C@@H](NCCN(C)C(=O)C23CC[NH+](CC2)C3)C1=O ZINC001493764461 1016057744 /nfs/dbraw/zinc/05/77/44/1016057744.db2.gz VSVDBMUOLWXDER-CYBMUJFWSA-N 1 3 308.426 -0.249 20 0 DBADHO CC[C@@H](C(=O)NC[C@H]([NH2+]CC(=O)NC(N)=O)C(C)C)N(C)C ZINC001392252788 996765168 /nfs/dbraw/zinc/76/51/68/996765168.db2.gz WAAVTWOAGKKHFA-QWRGUYRKSA-N 1 3 315.418 -0.748 20 0 DBADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001404620681 996827988 /nfs/dbraw/zinc/82/79/88/996827988.db2.gz RMOUMBPALLNABS-GXTWGEPZSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H](C(N)=O)N(C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001404620681 996827993 /nfs/dbraw/zinc/82/79/93/996827993.db2.gz RMOUMBPALLNABS-GXTWGEPZSA-N 1 3 310.442 -0.018 20 0 DBADHO C[C@@H](NC[C@H](O)CNC(=O)CC[NH+](C)C)C(=O)NC(C)(C)C ZINC001392391495 996864826 /nfs/dbraw/zinc/86/48/26/996864826.db2.gz INIWSWYETTYAQO-NEPJUHHUSA-N 1 3 316.446 -0.692 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001392432773 996918828 /nfs/dbraw/zinc/91/88/28/996918828.db2.gz WUMQCCGARFJTSC-KBPBESRZSA-N 1 3 307.398 -0.697 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@H+](C)C2)cn1 ZINC001392432773 996918840 /nfs/dbraw/zinc/91/88/40/996918840.db2.gz WUMQCCGARFJTSC-KBPBESRZSA-N 1 3 307.398 -0.697 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001392432774 996919222 /nfs/dbraw/zinc/91/92/22/996919222.db2.gz WUMQCCGARFJTSC-KGLIPLIRSA-N 1 3 307.398 -0.697 20 0 DBADHO Cc1ncc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001392432774 996919237 /nfs/dbraw/zinc/91/92/37/996919237.db2.gz WUMQCCGARFJTSC-KGLIPLIRSA-N 1 3 307.398 -0.697 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC001392432776 996921766 /nfs/dbraw/zinc/92/17/66/996921766.db2.gz WUMQCCGARFJTSC-ZIAGYGMSSA-N 1 3 307.398 -0.697 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)cn1 ZINC001392432776 996921779 /nfs/dbraw/zinc/92/17/79/996921779.db2.gz WUMQCCGARFJTSC-ZIAGYGMSSA-N 1 3 307.398 -0.697 20 0 DBADHO COC[C@@H](O)CN1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001405136794 997023610 /nfs/dbraw/zinc/02/36/10/997023610.db2.gz ZUYQWALZOZFFDI-GJZGRUSLSA-N 1 3 313.442 -0.132 20 0 DBADHO C[C@@H]([NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1)C(=O)NC(N)=O ZINC001392566811 997037723 /nfs/dbraw/zinc/03/77/23/997037723.db2.gz DKERNAFZMRZLHT-VHSXEESVSA-N 1 3 313.402 -0.852 20 0 DBADHO CNC(=O)[C@@H](C)NC[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001392802760 997221869 /nfs/dbraw/zinc/22/18/69/997221869.db2.gz RDBSMKCDYTWLAU-DGCLKSJQSA-N 1 3 308.426 -0.299 20 0 DBADHO CC[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]CC(=O)NC(N)=O ZINC001405357972 997224405 /nfs/dbraw/zinc/22/44/05/997224405.db2.gz FEKRKOYALZHKPR-SNVBAGLBSA-N 1 3 313.402 -0.850 20 0 DBADHO CC[C@H](NC1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)C(N)=O ZINC001392907934 997314165 /nfs/dbraw/zinc/31/41/65/997314165.db2.gz LWXWWMFGLKNXJJ-OLZOCXBDSA-N 1 3 308.426 -0.170 20 0 DBADHO CC[C@H](NC1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1)C(N)=O ZINC001392907938 997315984 /nfs/dbraw/zinc/31/59/84/997315984.db2.gz LWXWWMFGLKNXJJ-STQMWFEESA-N 1 3 308.426 -0.170 20 0 DBADHO C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CC2CCOCC2)C1 ZINC001393303211 997558711 /nfs/dbraw/zinc/55/87/11/997558711.db2.gz LTIFVENBFFXSHO-AWEZNQCLSA-N 1 3 311.426 -0.330 20 0 DBADHO C[N@H+]1CCC[C@H]1C(=O)NCC1(O)CN(CC2CCOCC2)C1 ZINC001393303211 997558721 /nfs/dbraw/zinc/55/87/21/997558721.db2.gz LTIFVENBFFXSHO-AWEZNQCLSA-N 1 3 311.426 -0.330 20 0 DBADHO CC(C)N1CC[C@H](NC[C@@H](O)CNC(=O)CC[NH+](C)C)C1=O ZINC001406250889 997623750 /nfs/dbraw/zinc/62/37/50/997623750.db2.gz ACNUQHSJLDERCT-OLZOCXBDSA-N 1 3 314.430 -0.986 20 0 DBADHO CC[C@H](C(=O)NCCN1CCC([NH2+]CCO)CC1)N(C)C ZINC001393428623 997653528 /nfs/dbraw/zinc/65/35/28/997653528.db2.gz MILJFZVJEHRLAH-CQSZACIVSA-N 1 3 300.447 -0.511 20 0 DBADHO CC[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(N)=O ZINC001393460798 997676578 /nfs/dbraw/zinc/67/65/78/997676578.db2.gz RZPHDDASZLXAAF-UPJWGTAASA-N 1 3 314.430 -0.999 20 0 DBADHO CC[C@H](NCCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(N)=O ZINC001393460798 997676586 /nfs/dbraw/zinc/67/65/86/997676586.db2.gz RZPHDDASZLXAAF-UPJWGTAASA-N 1 3 314.430 -0.999 20 0 DBADHO NC(=O)CNC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCO1 ZINC001393574983 997739411 /nfs/dbraw/zinc/73/94/11/997739411.db2.gz KCCZQZZXBYRKTD-ZDUSSCGKSA-N 1 3 324.425 -0.835 20 0 DBADHO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393577655 997745233 /nfs/dbraw/zinc/74/52/33/997745233.db2.gz SRHBALXGUMIKDE-CHWSQXEVSA-N 1 3 312.414 -0.837 20 0 DBADHO CCC[N@H+]1CCC[C@@H]1C(=O)N1CCO[C@H](CNCC(N)=O)C1 ZINC001393577655 997745244 /nfs/dbraw/zinc/74/52/44/997745244.db2.gz SRHBALXGUMIKDE-CHWSQXEVSA-N 1 3 312.414 -0.837 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001406465021 997775194 /nfs/dbraw/zinc/77/51/94/997775194.db2.gz KVNGWVAAZQJEKE-OUCADQQQSA-N 1 3 310.442 -0.053 20 0 DBADHO C[C@@H](CNCC(=O)NCC1CC1)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001406465021 997775203 /nfs/dbraw/zinc/77/52/03/997775203.db2.gz KVNGWVAAZQJEKE-OUCADQQQSA-N 1 3 310.442 -0.053 20 0 DBADHO CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)C(=O)NC(N)=O)N(C)C ZINC001393808007 997852870 /nfs/dbraw/zinc/85/28/70/997852870.db2.gz LGFWUGZBNGLPTE-GARJFASQSA-N 1 3 315.418 -0.606 20 0 DBADHO CN(C(=O)CCC[NH+](C)C)C1CN(C(=O)Cc2c[nH]cn2)C1 ZINC001394084584 997967791 /nfs/dbraw/zinc/96/77/91/997967791.db2.gz SXTUYVMZGMAWJF-UHFFFAOYSA-N 1 3 307.398 -0.037 20 0 DBADHO CNC(=O)CNC[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001407118450 998025114 /nfs/dbraw/zinc/02/51/14/998025114.db2.gz QEDISRNKWPBNBJ-ZIAGYGMSSA-N 1 3 308.426 -0.345 20 0 DBADHO CC(C)N(C)CC(=O)N1CCN([C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001407158696 998044003 /nfs/dbraw/zinc/04/40/03/998044003.db2.gz SEAVIGPYHWFNQH-OAHLLOKOSA-N 1 3 312.458 -0.463 20 0 DBADHO CC(C)N(C)CC(=O)N1CCN([C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001407158696 998044016 /nfs/dbraw/zinc/04/40/16/998044016.db2.gz SEAVIGPYHWFNQH-OAHLLOKOSA-N 1 3 312.458 -0.463 20 0 DBADHO CC[C@H](C(=O)NCC1([NH2+]CC(=O)NC)CCOCC1)N(C)C ZINC001407306889 998096983 /nfs/dbraw/zinc/09/69/83/998096983.db2.gz TYDGZGGDKXSKEU-GFCCVEGCSA-N 1 3 314.430 -0.672 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)CN2CC[C@@H](C)C2)C1 ZINC001394376556 998123000 /nfs/dbraw/zinc/12/30/00/998123000.db2.gz UFPHSSMUYRUYBZ-KBUPBQIOSA-N 1 3 313.442 -0.180 20 0 DBADHO CN(C)C1(C(=O)NC[C@@H](CO)[NH2+]CCn2cccn2)CCC1 ZINC001394601092 998268489 /nfs/dbraw/zinc/26/84/89/998268489.db2.gz DDTBPIZUOPPDAG-ZDUSSCGKSA-N 1 3 309.414 -0.566 20 0 DBADHO C[NH+](C)CCC(=O)NCC1(NCCS(C)(=O)=O)CCC1 ZINC001407795527 998372571 /nfs/dbraw/zinc/37/25/71/998372571.db2.gz IMFUZTYNOGFGOM-UHFFFAOYSA-N 1 3 305.444 -0.389 20 0 DBADHO Cc1nc([C@H](C)NC[C@H]2CN(C(=O)CC[NH+](C)C)CCO2)n[nH]1 ZINC001407847631 998398943 /nfs/dbraw/zinc/39/89/43/998398943.db2.gz IIJAFUKSPBVNJD-AAEUAGOBSA-N 1 3 324.429 -0.057 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001407863111 998406191 /nfs/dbraw/zinc/40/61/91/998406191.db2.gz JYKOAXWCMWQCCS-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CCCN(C)CC(=O)N1CCO[C@H](C[NH2+][C@H](C)C(N)=O)C1 ZINC001407863123 998406246 /nfs/dbraw/zinc/40/62/46/998406246.db2.gz JYKOAXWCMWQCCS-VXGBXAGGSA-N 1 3 300.403 -0.981 20 0 DBADHO CNC(=O)CN[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC1(C)C ZINC001394726689 998409800 /nfs/dbraw/zinc/40/98/00/998409800.db2.gz PHVMDEQOPPFJKW-GFCCVEGCSA-N 1 3 310.442 -0.099 20 0 DBADHO CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)N(C)C)CCO1 ZINC001407884646 998415796 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C[NH+](C)CCCC(=O)N1CCC[C@H](N(CCO)CCO)C1 ZINC001397228916 998996818 /nfs/dbraw/zinc/99/68/18/998996818.db2.gz RRDRVYVVYUOVOY-AWEZNQCLSA-N 1 3 301.431 -0.394 20 0 DBADHO CN(CC(=O)N[C@@H]1[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]21)C1CCC1 ZINC001494457705 1016280011 /nfs/dbraw/zinc/28/00/11/1016280011.db2.gz RYAYWNWFFHHCGO-HALDLXJZSA-N 1 3 322.453 -0.005 20 0 DBADHO CN(C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1)[C@@H]1CCNC1=O ZINC001398476389 999278799 /nfs/dbraw/zinc/27/87/99/999278799.db2.gz QWMQOSRMBFZTMT-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001398656182 999328333 /nfs/dbraw/zinc/32/83/33/999328333.db2.gz BFBUCJSSDLRDQU-UPJWGTAASA-N 1 3 317.455 -0.390 20 0 DBADHO C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@@H](NCCS(C)(=O)=O)C2)C1 ZINC001398656182 999328339 /nfs/dbraw/zinc/32/83/39/999328339.db2.gz BFBUCJSSDLRDQU-UPJWGTAASA-N 1 3 317.455 -0.390 20 0 DBADHO CN(CCNC(=O)[C@H]1CC[N@H+](C)C1)C[C@H]1CCc2ncnn21 ZINC001399659054 999459691 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CC[N@H+](C)CCC(=O)N1CCO[C@@H](CN[C@H](C)C(N)=O)C1 ZINC001424234721 1001603700 /nfs/dbraw/zinc/60/37/00/1001603700.db2.gz DXZZZPYBNYQUFR-NEPJUHHUSA-N 1 3 300.403 -0.981 20 0 DBADHO CNC(=O)[C@H](C)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001424240511 1001606026 /nfs/dbraw/zinc/60/60/26/1001606026.db2.gz RBLUFUMQTXHOJP-QWHCGFSZSA-N 1 3 324.425 -0.966 20 0 DBADHO COC[C@@H](C)[NH2+]CC1(O)CCN(C(=O)Cc2c[nH]cn2)CC1 ZINC001424529204 1001655510 /nfs/dbraw/zinc/65/55/10/1001655510.db2.gz VLSBWUDROUMVNW-GFCCVEGCSA-N 1 3 310.398 -0.070 20 0 DBADHO CN1CCC[C@@H]1C(=O)N1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001424631372 1001669105 /nfs/dbraw/zinc/66/91/05/1001669105.db2.gz MQNBMKWJSKQRQD-APIJFGDWSA-N 1 3 322.453 -0.147 20 0 DBADHO NC(=O)CNC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001424677159 1001725437 /nfs/dbraw/zinc/72/54/37/1001725437.db2.gz NTWHCXDCBKGINQ-KBPBESRZSA-N 1 3 308.426 -0.216 20 0 DBADHO C[C@H](NCC(=O)NC(N)=O)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001424818622 1001803308 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CCCN(C)CC(=O)N[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001414791336 1002551197 /nfs/dbraw/zinc/55/11/97/1002551197.db2.gz QKMPGYOYTUEEJV-KBPBESRZSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H]([NH2+]C[C@H](O)CN(C)C(=O)C1(N(C)C)CCC1)C(N)=O ZINC001426006130 1002614278 /nfs/dbraw/zinc/61/42/78/1002614278.db2.gz NYVGRDOMMSYEAX-RYUDHWBXSA-N 1 3 314.430 -0.857 20 0 DBADHO CNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)CN2CC[C@H](C)C2)C1 ZINC001436421102 1002704167 /nfs/dbraw/zinc/70/41/67/1002704167.db2.gz HIKSCGBMIUNNPG-MELADBBJSA-N 1 3 310.442 -0.051 20 0 DBADHO CC[C@H](C(N)=O)N1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001436455478 1002714199 /nfs/dbraw/zinc/71/41/99/1002714199.db2.gz AUHRGHQUTPFYBB-HZSPNIEDSA-N 1 3 310.442 -0.018 20 0 DBADHO COC[C@@H](O)CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001436486215 1002730544 /nfs/dbraw/zinc/73/05/44/1002730544.db2.gz XKVFGYAGBQVKHI-RDBSUJKOSA-N 1 3 311.426 -0.332 20 0 DBADHO COC[C@H](O)CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001436486208 1002730997 /nfs/dbraw/zinc/73/09/97/1002730997.db2.gz XKVFGYAGBQVKHI-MCIONIFRSA-N 1 3 311.426 -0.332 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001436878420 1002817925 /nfs/dbraw/zinc/81/79/25/1002817925.db2.gz SVDAXICKJGESRK-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CN(CC1CC1)C(=O)CN[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001436878420 1002817927 /nfs/dbraw/zinc/81/79/27/1002817927.db2.gz SVDAXICKJGESRK-GJZGRUSLSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436953613 1002831186 /nfs/dbraw/zinc/83/11/86/1002831186.db2.gz JTHJBMVPKPZLDS-XQHKEYJVSA-N 1 3 314.405 -0.208 20 0 DBADHO CCN(CC)C[C@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001436953612 1002831982 /nfs/dbraw/zinc/83/19/82/1002831982.db2.gz JTHJBMVPKPZLDS-RNJOBUHISA-N 1 3 314.405 -0.208 20 0 DBADHO C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)NCC(=O)NCC(F)(F)F ZINC001437265006 1002896362 /nfs/dbraw/zinc/89/63/62/1002896362.db2.gz 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310.442 -0.003 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001429259413 1006319370 /nfs/dbraw/zinc/31/93/70/1006319370.db2.gz FWJUENTVJPOFQT-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H]1CCCN1CC(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001429259413 1006319376 /nfs/dbraw/zinc/31/93/76/1006319376.db2.gz FWJUENTVJPOFQT-ZIAGYGMSSA-N 1 3 310.442 -0.003 20 0 DBADHO CNC(=O)CN(C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001441388659 1006623202 /nfs/dbraw/zinc/62/32/02/1006623202.db2.gz SNOYXTFUWXGMBU-OAHLLOKOSA-N 1 3 322.453 -0.003 20 0 DBADHO CCN(CC)C[C@@H](F)C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001441494498 1006686835 /nfs/dbraw/zinc/68/68/35/1006686835.db2.gz ZLKNHCFWKOMQQQ-WISYIIOYSA-N 1 3 302.394 -0.223 20 0 DBADHO C[C@@H](CNC(=O)C1(N(C)C)CCC1)[NH2+]C[C@H](O)Cn1cccn1 ZINC001441839788 1006897156 /nfs/dbraw/zinc/89/71/56/1006897156.db2.gz IYSLQEUZWVJXJX-KBPBESRZSA-N 1 3 323.441 -0.177 20 0 DBADHO C[C@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)CC[NH+](C)C ZINC001441847888 1006900938 /nfs/dbraw/zinc/90/09/38/1006900938.db2.gz YTEHPSSCCHISQF-RYUDHWBXSA-N 1 3 305.444 -0.438 20 0 DBADHO C[C@@H]1C[C@H](NCCS(C)(=O)=O)CN1C(=O)CC[NH+](C)C ZINC001441847869 1006901791 /nfs/dbraw/zinc/90/17/91/1006901791.db2.gz YTEHPSSCCHISQF-NEPJUHHUSA-N 1 3 305.444 -0.438 20 0 DBADHO COC[C@@H](O)C[NH2+][C@H]1CN(C(=O)Cc2c[nH]cn2)CC1(C)C ZINC001441919324 1006956504 /nfs/dbraw/zinc/95/65/04/1006956504.db2.gz ASHLMNAWEQWQHC-STQMWFEESA-N 1 3 310.398 -0.214 20 0 DBADHO C[C@H](CNC(=O)CCC[NH+](C)C)N[C@@H](C)C(=O)NC(N)=O ZINC001441952606 1006999285 /nfs/dbraw/zinc/99/92/85/1006999285.db2.gz GJTVMWVGDPQEQA-ZJUUUORDSA-N 1 3 301.391 -0.994 20 0 DBADHO C[NH+](C)C[C@@H]1CN(C(=O)[C@H](N)CCC(=O)[O-])C[C@H]1C[NH+](C)C ZINC001598246783 1017250569 /nfs/dbraw/zinc/25/05/69/1017250569.db2.gz YYKIMWXHLLJCPJ-JHJVBQTASA-N 1 3 314.430 -0.624 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001432025404 1007791222 /nfs/dbraw/zinc/79/12/22/1007791222.db2.gz PCNQGISEFSLYNU-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001432025404 1007791227 /nfs/dbraw/zinc/79/12/27/1007791227.db2.gz PCNQGISEFSLYNU-UONOGXRCSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@@H](NCCN(C)C(=O)C12CC[NH+](CC1)C2)C(=O)NC1CC1 ZINC001443105791 1007793988 /nfs/dbraw/zinc/79/39/88/1007793988.db2.gz VNOFCUNDLQFHJV-GFCCVEGCSA-N 1 3 308.426 -0.203 20 0 DBADHO CN(C)C(=O)CN1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001443256370 1007817691 /nfs/dbraw/zinc/81/76/91/1007817691.db2.gz BYMSJBMITYEJOE-AWEZNQCLSA-N 1 3 322.453 -0.001 20 0 DBADHO CN(CC(N)=O)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001443337445 1007835387 /nfs/dbraw/zinc/83/53/87/1007835387.db2.gz VBJSDJFMDGSDJI-HNNXBMFYSA-N 1 3 322.453 -0.016 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001432299185 1007884264 /nfs/dbraw/zinc/88/42/64/1007884264.db2.gz OCMUZCJYJOCFBH-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CCN(CC)CC(=O)N1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001432299185 1007884267 /nfs/dbraw/zinc/88/42/67/1007884267.db2.gz OCMUZCJYJOCFBH-CYBMUJFWSA-N 1 3 310.442 -0.003 20 0 DBADHO CC[C@H](CNC(=O)CC[NH+](C)C)N[C@@H](C)C(=O)NC(=O)NC ZINC001443982364 1007980730 /nfs/dbraw/zinc/98/07/30/1007980730.db2.gz FGOPENCJPNKWEG-WDEREUQCSA-N 1 3 315.418 -0.733 20 0 DBADHO C[C@@H](C[NH2+]CC(=O)NC(N)=O)N(C)C(=O)[C@H]1CCCCN1C ZINC001444615355 1008195491 /nfs/dbraw/zinc/19/54/91/1008195491.db2.gz DHAPVAGUQUOJCE-WDEREUQCSA-N 1 3 313.402 -0.898 20 0 DBADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001444716261 1008229229 /nfs/dbraw/zinc/22/92/29/1008229229.db2.gz CNHXWDDNCRDTEI-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO C[C@H](CNCC(=O)N(C)C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001444716261 1008229234 /nfs/dbraw/zinc/22/92/34/1008229234.db2.gz CNHXWDDNCRDTEI-OLZOCXBDSA-N 1 3 310.442 -0.005 20 0 DBADHO CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2c[nH]cn2)C[C@@H]1C ZINC001444785152 1008245518 /nfs/dbraw/zinc/24/55/18/1008245518.db2.gz IJVCCGZZRNWISE-AAEUAGOBSA-N 1 3 307.398 -0.085 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]C[C@@H]1CCCOC1 ZINC001445251395 1008319839 /nfs/dbraw/zinc/31/98/39/1008319839.db2.gz CWGHNALAPCLVBA-STQMWFEESA-N 1 3 310.398 -0.246 20 0 DBADHO Cn1cc(CNC[C@@H](O)CNC(=O)CC[NH+]2CCCCC2)cn1 ZINC001445276112 1008356247 /nfs/dbraw/zinc/35/62/47/1008356247.db2.gz ZPYIKNQHJZUGSU-OAHLLOKOSA-N 1 3 323.441 -0.137 20 0 DBADHO C[C@H](CNCC(=O)NCC1CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001445431746 1008374398 /nfs/dbraw/zinc/37/43/98/1008374398.db2.gz ACEBCVFNESDVCY-GFCCVEGCSA-N 1 3 310.442 -0.051 20 0 DBADHO C[C@H](CNCC(=O)N1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001445482387 1008381216 /nfs/dbraw/zinc/38/12/16/1008381216.db2.gz QPIWXZOTHTUUTP-CYBMUJFWSA-N 1 3 308.426 -0.201 20 0 DBADHO CNC(=O)NC(=O)C[NH2+]C[C@H](C)NC(=O)C1(N(C)C)CCC1 ZINC001445558067 1008397631 /nfs/dbraw/zinc/39/76/31/1008397631.db2.gz MCUXNWUHUDWMGD-JTQLQIEISA-N 1 3 313.402 -0.979 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001445575375 1008399644 /nfs/dbraw/zinc/39/96/44/1008399644.db2.gz ZNIYAVYEFWZBGY-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO C[C@@H](CNCC(=O)NC(N)=O)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001445575375 1008399648 /nfs/dbraw/zinc/39/96/48/1008399648.db2.gz ZNIYAVYEFWZBGY-QWRGUYRKSA-N 1 3 313.402 -0.850 20 0 DBADHO CCCNC(=O)CNC[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001447293078 1009009487 /nfs/dbraw/zinc/00/94/87/1009009487.db2.gz WKFPUPXZNNIBGW-ZDUSSCGKSA-N 1 3 314.430 -0.719 20 0 DBADHO Cc1[nH]cnc1CC(=O)NC[C@@H](O)C[NH2+]CC[C@@H]1CCCO1 ZINC001497098449 1017268026 /nfs/dbraw/zinc/26/80/26/1017268026.db2.gz OIKCFPIQEYFGED-STQMWFEESA-N 1 3 310.398 -0.104 20 0 DBADHO C[C@@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447920974 1009395976 /nfs/dbraw/zinc/39/59/76/1009395976.db2.gz ATIFSQKYIGXWPL-OLZOCXBDSA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](NCC(=O)N1CCC1)[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001447920983 1009396196 /nfs/dbraw/zinc/39/61/96/1009396196.db2.gz ATIFSQKYIGXWPL-STQMWFEESA-N 1 3 308.426 -0.203 20 0 DBADHO C[C@H](NCC(N)=O)[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CCO1 ZINC001448464170 1009789283 /nfs/dbraw/zinc/78/92/83/1009789283.db2.gz VLQSRNGYLWIGBZ-AAEUAGOBSA-N 1 3 312.414 -0.981 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001448610756 1009826532 /nfs/dbraw/zinc/82/65/32/1009826532.db2.gz WUDDJFKXDJPORX-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CNC(=O)CNC[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448610756 1009826534 /nfs/dbraw/zinc/82/65/34/1009826534.db2.gz WUDDJFKXDJPORX-TZMCWYRMSA-N 1 3 310.442 -0.099 20 0 DBADHO CC(=O)N[C@@H](C)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC(C)(C)C ZINC001448626162 1009830110 /nfs/dbraw/zinc/83/01/10/1009830110.db2.gz ALIJSLPIQHYMQN-QWRGUYRKSA-N 1 3 314.430 -0.138 20 0 DBADHO CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)NC(=O)NC ZINC001448766070 1009871577 /nfs/dbraw/zinc/87/15/77/1009871577.db2.gz TZOQASQPVRUWGH-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO CC[N@@H+](C)CCC(=O)N(C)C[C@@H](C)NCC(=O)NC(=O)NC ZINC001448766070 1009871585 /nfs/dbraw/zinc/87/15/85/1009871585.db2.gz TZOQASQPVRUWGH-LLVKDONJSA-N 1 3 315.418 -0.780 20 0 DBADHO CC(C)[NH+]1CCN(CCCN2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC001473529635 1009928769 /nfs/dbraw/zinc/92/87/69/1009928769.db2.gz KXJREWXAHJIBRD-HZPDHXFCSA-N 1 3 324.469 -0.008 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)NC[C@H](CO)NCc2ccc(CO)cc2)C1 ZINC001448952322 1010104424 /nfs/dbraw/zinc/10/44/24/1010104424.db2.gz LEVRVUZLLWJYOZ-JKSUJKDBSA-N 1 3 321.421 -0.303 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)NC[C@H](CO)NCc2ccc(CO)cc2)C1 ZINC001448952322 1010104438 /nfs/dbraw/zinc/10/44/38/1010104438.db2.gz LEVRVUZLLWJYOZ-JKSUJKDBSA-N 1 3 321.421 -0.303 20 0 DBADHO CC[N@H+](C)CCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001449017766 1010167733 /nfs/dbraw/zinc/16/77/33/1010167733.db2.gz QFRXFDNCSNKTSH-VXGBXAGGSA-N 1 3 324.429 -0.471 20 0 DBADHO CC[N@@H+](C)CCC(=O)N1C[C@H](NCc2nc(=O)n(C)[nH]2)C[C@H]1C ZINC001449017766 1010167744 /nfs/dbraw/zinc/16/77/44/1010167744.db2.gz QFRXFDNCSNKTSH-VXGBXAGGSA-N 1 3 324.429 -0.471 20 0 DBADHO Cc1ncc(CNC[C@@H](O)CN(C)C(=O)CC[NH+](C)C)cn1 ZINC001449142790 1010310921 /nfs/dbraw/zinc/31/09/21/1010310921.db2.gz CYWDYVYHKMLQJC-CQSZACIVSA-N 1 3 309.414 -0.354 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001449148565 1010316938 /nfs/dbraw/zinc/31/69/38/1010316938.db2.gz UNOIGMIWZLUFMF-AWEZNQCLSA-N 1 3 311.430 -0.411 20 0 DBADHO CC[C@@H](C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1)N(C)C ZINC001480117666 1010541538 /nfs/dbraw/zinc/54/15/38/1010541538.db2.gz RQBHQGCTJKXDDD-DCAQKATOSA-N 1 3 313.402 -0.900 20 0 DBADHO CCCN(C)CC(=O)N1CC[C@H]([NH2+]CCCS(C)(=O)=O)C1 ZINC001480120724 1010544276 /nfs/dbraw/zinc/54/42/76/1010544276.db2.gz RQDHKJZVEHOMMB-ZDUSSCGKSA-N 1 3 319.471 -0.047 20 0 DBADHO CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCS(C)(=O)=O)C1)N(C)C ZINC001480158666 1010559616 /nfs/dbraw/zinc/55/96/16/1010559616.db2.gz XCDQGTVQVLGOIT-SRVKXCTJSA-N 1 3 305.444 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COc1ccc(CNC[C@H](O)CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC001482790608 1011468070 /nfs/dbraw/zinc/46/80/70/1011468070.db2.gz FYUARHLKKABKLP-KBPBESRZSA-N 1 3 322.409 -0.391 20 0 DBADHO COc1cc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@H+](C)C2)ccn1 ZINC001482790491 1011468972 /nfs/dbraw/zinc/46/89/72/1011468972.db2.gz DDJRICZKHASAMA-KGLIPLIRSA-N 1 3 322.409 -0.391 20 0 DBADHO COc1cc(CNC[C@H](O)CNC(=O)[C@@H]2CC[N@@H+](C)C2)ccn1 ZINC001482790491 1011468989 /nfs/dbraw/zinc/46/89/89/1011468989.db2.gz DDJRICZKHASAMA-KGLIPLIRSA-N 1 3 322.409 -0.391 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482792449 1011472953 /nfs/dbraw/zinc/47/29/53/1011472953.db2.gz ZCVVYLOPXNIIRM-JSGCOSHPSA-N 1 3 309.414 -0.753 20 0 DBADHO Cc1nn(C)cc1CNC[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482792449 1011472963 /nfs/dbraw/zinc/47/29/63/1011472963.db2.gz ZCVVYLOPXNIIRM-JSGCOSHPSA-N 1 3 309.414 -0.753 20 0 DBADHO CCN(CCN[C@@H]1CCN(C)C1=O)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482963397 1011561412 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O=C(NC/C=C\CN[C@@H]1CCCNC1=O)C12CC[NH+](CC1)C2 ZINC001497726922 1017480048 /nfs/dbraw/zinc/48/00/48/1017480048.db2.gz KDQNFFSQNQFUFI-UIIMQBOASA-N 1 3 306.410 -0.377 20 0 DBADHO C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCN1C)C(=O)NC(N)=O ZINC001498526716 1017822439 /nfs/dbraw/zinc/82/24/39/1017822439.db2.gz XUVMYZQKBHMNSI-GHMZBOCLSA-N 1 3 313.402 -0.898 20 0 DBADHO CC[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NC(=O)NC)N(C)C ZINC001498614108 1017837575 /nfs/dbraw/zinc/83/75/75/1017837575.db2.gz WMGCOBXHZRSOCN-NSHDSACASA-N 1 3 315.418 -0.780 20 0 DBADHO CC[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)C(=O)NC(N)=O)N(C)C ZINC001498614831 1017838221 /nfs/dbraw/zinc/83/82/21/1017838221.db2.gz OHCGNAZEMQIFPT-MNOVXSKESA-N 1 3 315.418 -0.652 20 0 DBADHO CN(CC(=O)NCC1([NH2+]CCN2CCNC2=O)CC1)C1CCC1 ZINC001499248266 1018040537 /nfs/dbraw/zinc/04/05/37/1018040537.db2.gz DRVHHNRCSHZHSM-UHFFFAOYSA-N 1 3 323.441 -0.266 20 0 DBADHO Cn1cc(CN2CC[C@](O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC001500649783 1018383307 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20 0 DBADHO C[C@H]1CN(C(=O)CC2(N)COC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001576769672 1019887333 /nfs/dbraw/zinc/88/73/33/1019887333.db2.gz QGGNRSHKHVVANA-UONOGXRCSA-N 1 3 310.442 -0.411 20 0 DBADHO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001576920985 1019955176 /nfs/dbraw/zinc/95/51/76/1019955176.db2.gz SGGSQABJFRKFPA-LHHWMGCDSA-N 1 3 308.426 -0.024 20 0 DBADHO COC[C@H](O)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(N(C)C)CCC2)C1 ZINC001506887030 1019986870 /nfs/dbraw/zinc/98/68/70/1019986870.db2.gz ZVPLNVXODRJVBC-MGPQQGTHSA-N 1 3 313.442 -0.038 20 0 DBADHO O=C(CCC[NH+]1CCCCC1)NC[C@@H](O)CNCc1c[nH]nn1 ZINC001577830877 1020124724 /nfs/dbraw/zinc/12/47/24/1020124724.db2.gz LYIAOHKEUATOAL-AWEZNQCLSA-N 1 3 324.429 -0.363 20 0 DBADHO CN(C)CCN1C[C@@H](C(=O)NC2([C@@H]3CC[NH2+]C3)CC2)CC1=O ZINC001578418991 1020236099 /nfs/dbraw/zinc/23/60/99/1020236099.db2.gz UMQKRUUVERHBND-QWHCGFSZSA-N 1 3 308.426 -0.345 20 0 DBADHO CN(CCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])CCOCCO ZINC001578473880 1020245944 /nfs/dbraw/zinc/24/59/44/1020245944.db2.gz SRRQFTADOMQJNN-ZFWWWQNUSA-N 1 3 301.431 -0.049 20 0 DBADHO CN(CCO)CCN(C)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC001578473141 1020246206 /nfs/dbraw/zinc/24/62/06/1020246206.db2.gz JOQPANUCNDJAGU-VIFPVBQESA-N 1 3 300.325 -0.168 20 0 DBADHO CN1CC[C@@](O)(CNC(=O)c2cnc(C3CC[NH2+]CC3)o2)C1 ZINC001578525856 1020257982 /nfs/dbraw/zinc/25/79/82/1020257982.db2.gz RUVRYYGLFGQQNT-OAHLLOKOSA-N 1 3 308.382 -0.062 20 0 DBADHO CN1CCN(C2CCN(C(=O)CC3(O)CC[NH2+]CC3)CC2)CC1 ZINC001578533584 1020261398 /nfs/dbraw/zinc/26/13/98/1020261398.db2.gz OEAGOPVWHHGKPK-UHFFFAOYSA-N 1 3 324.469 -0.271 20 0 DBADHO COC(=O)[C@@]1(N2CCN(CC[C@@H]3CC[NH2+]C3)CC2)CCOC1 ZINC001578780983 1020295740 /nfs/dbraw/zinc/29/57/40/1020295740.db2.gz JPFZUPUBSOLYFL-GOEBONIOSA-N 1 3 311.426 -0.064 20 0 DBADHO COC1(C(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)CC[NH2+]CC1 ZINC001578920438 1020327136 /nfs/dbraw/zinc/32/71/36/1020327136.db2.gz KHNUVUMKEANTAJ-KBPBESRZSA-N 1 3 311.426 -0.187 20 0 DBADHO COCCOCCN1CCN(C[C@@H](O)C2CC[NH2+]CC2)CC1 ZINC001579059729 1020360888 /nfs/dbraw/zinc/36/08/88/1020360888.db2.gz XZBMMNGUBUNGSJ-MRXNPFEDSA-N 1 3 315.458 -0.373 20 0 DBADHO CN(C[C@@H](O)C[NH2+]CCO)C(=O)C(C)(C)N1CCCCC1 ZINC001507481618 1020376018 /nfs/dbraw/zinc/37/60/18/1020376018.db2.gz XTZRXKHHPMBBIM-ZDUSSCGKSA-N 1 3 301.431 -0.348 20 0 DBADHO CS(=O)(=O)NC[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC001579347000 1020423528 /nfs/dbraw/zinc/42/35/28/1020423528.db2.gz YIOQLXFDJYFUHF-RYUDHWBXSA-N 1 3 303.428 -0.622 20 0 DBADHO NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CC23C[NH2+]C3)CC1 ZINC001580085151 1020641942 /nfs/dbraw/zinc/64/19/42/1020641942.db2.gz UDTGYJBEYAHGTD-CYBMUJFWSA-N 1 3 320.437 -0.072 20 0 DBADHO [NH3+]C[C@@H]1CN(S(=O)(=O)C[C@@]23CCN(C2)CCC3)CCO1 ZINC001580276136 1020679231 /nfs/dbraw/zinc/67/92/31/1020679231.db2.gz MNHPUQIYYFDQQR-OLZOCXBDSA-N 1 3 303.428 -0.538 20 0 DBADHO O=C(CN1CCCC1)N1CCN(C(=O)[C@]23CC[C@H]2C[NH2+]C3)CC1 ZINC001580548256 1020748265 /nfs/dbraw/zinc/74/82/65/1020748265.db2.gz WABBKHQKLUVXQQ-YOEHRIQHSA-N 1 3 320.437 -0.247 20 0 DBADHO O=C(NC[C@@H]1CCN1C1CCOCC1)NC1(CCO)C[NH2+]C1 ZINC001580661193 1020778182 /nfs/dbraw/zinc/77/81/82/1020778182.db2.gz NBOSZEZZDZLQBM-ZDUSSCGKSA-N 1 3 312.414 -0.737 20 0 DBADHO O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1C[C@@H]2CCCN2C[C@@H]1CO ZINC001580811263 1020801340 /nfs/dbraw/zinc/80/13/40/1020801340.db2.gz MVACHVCDDWFBGU-FRRDWIJNSA-N 1 3 319.409 -0.232 20 0 DBADHO O=C1CCCN1CCCN1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC001580845015 1020804765 /nfs/dbraw/zinc/80/47/65/1020804765.db2.gz CMZRFYYMYPCAGR-MCIONIFRSA-N 1 3 322.409 -0.134 20 0 DBADHO O=S(=O)(CC1C[NH2+]C1)N1CCC(N2CC[C@@H](O)C2)CC1 ZINC001580864008 1020810010 /nfs/dbraw/zinc/81/00/10/1020810010.db2.gz YSEGMVAPVTUUQA-CYBMUJFWSA-N 1 3 303.428 -0.933 20 0 DBADHO CN1CCN(Cc2ccc(NC(=O)CNCC[NH3+])cc2)CC1 ZINC001521503602 1021660158 /nfs/dbraw/zinc/66/01/58/1021660158.db2.gz HVIKOGSVPJSEEX-UHFFFAOYSA-N 1 3 305.426 -0.079 20 0 DBADHO CN(CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC001566508643 1024229770 /nfs/dbraw/zinc/22/97/70/1024229770.db2.gz LGZNUGIQVMXJKS-QWHCGFSZSA-N 1 3 324.425 -0.429 20 0 DBADHO CN(CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCC(=O)NC1=O ZINC001566508643 1024229796 /nfs/dbraw/zinc/22/97/96/1024229796.db2.gz LGZNUGIQVMXJKS-QWHCGFSZSA-N 1 3 324.425 -0.429 20 0 DBADHO C[C@H](CNC(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001567023758 1024472578 /nfs/dbraw/zinc/47/25/78/1024472578.db2.gz ZRGWMOONFOWDHW-GHMZBOCLSA-N 1 3 310.398 -0.630 20 0 DBADHO CC[C@H](C(=O)NC[C@@H](C)[NH2+]CCN1C(=O)CCC1=O)N(C)C ZINC001567030120 1024482983 /nfs/dbraw/zinc/48/29/83/1024482983.db2.gz WLGYWCOBHSJNGK-VXGBXAGGSA-N 1 3 312.414 -0.430 20 0 DBADHO C[C@H]1CC[N@H+](CC(=O)N(C)CCNCC(=O)N(C)C2CC2)C1 ZINC001567560465 1024788970 /nfs/dbraw/zinc/78/89/70/1024788970.db2.gz FPPDAKRZTAJSFJ-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO C[C@H]1CC[N@@H+](CC(=O)N(C)CCNCC(=O)N(C)C2CC2)C1 ZINC001567560465 1024788989 /nfs/dbraw/zinc/78/89/89/1024788989.db2.gz FPPDAKRZTAJSFJ-ZDUSSCGKSA-N 1 3 310.442 -0.003 20 0 DBADHO CN(CCN[C@@H]1CCC(=O)NC1=O)C(=O)CC[NH+]1CCCCC1 ZINC001567611597 1024807114 /nfs/dbraw/zinc/80/71/14/1024807114.db2.gz NPJJMGZTYVXSAP-CYBMUJFWSA-N 1 3 324.425 -0.284 20 0 DBADHO C[C@H](CNC(=O)CN1CC[C@H](C)C1)C[NH2+]CCn1cncn1 ZINC001568194032 1024874177 /nfs/dbraw/zinc/87/41/77/1024874177.db2.gz PMGJOZHTPCTNFC-KBPBESRZSA-N 1 3 308.430 -0.038 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)CC[N@@H+]1C ZINC001568851333 1025045338 /nfs/dbraw/zinc/04/53/38/1025045338.db2.gz BWIPUXKPTVBXNY-GMJRGKAPSA-N 1 3 308.426 -0.181 20 0 DBADHO C[C@@H]1[C@H](C(=O)NC/C=C\CN[C@H]2CCN(C)C2=O)CC[N@H+]1C ZINC001568851333 1025045356 /nfs/dbraw/zinc/04/53/56/1025045356.db2.gz BWIPUXKPTVBXNY-GMJRGKAPSA-N 1 3 308.426 -0.181 20 0 DBADHO O=C(Cc1c[nH]cn1)N1CCC[C@H]1C[NH2+]CCN1CCNC1=O ZINC001569557215 1025276622 /nfs/dbraw/zinc/27/66/22/1025276622.db2.gz RPEKBWSWONGRTL-ZDUSSCGKSA-N 1 3 320.397 -0.442 20 0 DBADHO C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001569564828 1025279700 /nfs/dbraw/zinc/27/97/00/1025279700.db2.gz KZZMUGRBPLPGAP-OLZOCXBDSA-N 1 3 317.455 -0.437 20 0 DBADHO C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2CNCCS(C)(=O)=O)C1 ZINC001569564828 1025279712 /nfs/dbraw/zinc/27/97/12/1025279712.db2.gz KZZMUGRBPLPGAP-OLZOCXBDSA-N 1 3 317.455 -0.437 20 0 DBADHO Cn1cncc1CNCCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001569946038 1025434083 /nfs/dbraw/zinc/43/40/83/1025434083.db2.gz CAEVAZKHDAVQMM-UHFFFAOYSA-N 1 3 323.441 -0.328 20 0 DBADHO C[N@@H+]1CC[C@H](C(=O)N[C@H]2CN(CCOCCO)CC2(C)C)C1 ZINC001570909277 1025793032 /nfs/dbraw/zinc/79/30/32/1025793032.db2.gz GOTVFTVUECIGMF-KBPBESRZSA-N 1 3 313.442 -0.226 20 0 DBADHO C[N@H+]1CC[C@H](C(=O)N[C@H]2CN(CCOCCO)CC2(C)C)C1 ZINC001570909277 1025793048 /nfs/dbraw/zinc/79/30/48/1025793048.db2.gz GOTVFTVUECIGMF-KBPBESRZSA-N 1 3 313.442 -0.226 20 0 DBADHO C[C@H](CN(C)C(=O)C1(N(C)C)CCC1)[NH2+][C@@H]1CCC(=O)NC1=O ZINC001571390484 1025922873 /nfs/dbraw/zinc/92/28/73/1025922873.db2.gz HJUWPXAHIDSAPW-VXGBXAGGSA-N 1 3 324.425 -0.288 20 0 DBADHO CC(C)(C(=O)NC[C@H](CO)[NH2+]CCCO)N1CCCCC1 ZINC001571430261 1025978973 /nfs/dbraw/zinc/97/89/73/1025978973.db2.gz VCUPCEAGIYKLAG-CYBMUJFWSA-N 1 3 301.431 -0.300 20 0 DBADHO CC1(C)CN(C(=O)Cc2c[nH]cn2)C[C@H]1[NH2+]CCOCCO ZINC001571564426 1026072261 /nfs/dbraw/zinc/07/22/61/1026072261.db2.gz CNSMCUAOKUWZPV-CYBMUJFWSA-N 1 3 310.398 -0.212 20 0 DBADHO C[C@H]1CCN(CC(=O)N(C)C[C@@H](O)C[NH2+]CCn2cccn2)C1 ZINC001571590625 1026103399 /nfs/dbraw/zinc/10/33/99/1026103399.db2.gz XSKYMUKTZSFKLG-GJZGRUSLSA-N 1 3 323.441 -0.366 20 0 DBADHO C[C@@H]1CN(C(=O)[C@@H](N)CCC(N)=O)CCN1c1cc[nH+]cc1 ZINC001573649867 1026606490 /nfs/dbraw/zinc/60/64/90/1026606490.db2.gz SJENSTIXAZHWSJ-YPMHNXCESA-N 1 3 305.382 -0.289 20 0 DBADHO CCN1CCC([N@@H+]2CCCN(C(=O)[C@@H]3COCCN3)CC2)CC1 ZINC001573777977 1026632696 /nfs/dbraw/zinc/63/26/96/1026632696.db2.gz LICQQAWNMWBQJN-INIZCTEOSA-N 1 3 324.469 -0.007 20 0 DBADHO CCN1CCC([N@H+]2CCCN(C(=O)[C@@H]3COCCN3)CC2)CC1 ZINC001573777977 1026632705 /nfs/dbraw/zinc/63/27/05/1026632705.db2.gz LICQQAWNMWBQJN-INIZCTEOSA-N 1 3 324.469 -0.007 20 0 DBADHO CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2C[C@@H](F)C[NH2+]2)CC1 ZINC001573885618 1026652791 /nfs/dbraw/zinc/65/27/91/1026652791.db2.gz SIQIJUZPRLYASE-UPJWGTAASA-N 1 3 312.389 -0.549 20 0 DBADHO COC[C@]1(CN(C)C)COCCN1C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC001573976693 1026683139 /nfs/dbraw/zinc/68/31/39/1026683139.db2.gz ZODYQPHFTUVRCP-VNQPRFMTSA-N 1 3 311.426 -0.208 20 0 DBADHO COCCCNC(=O)C1CC[NH+](C[C@@]2(O)CCCNC2)CC1 ZINC001573978222 1026683192 /nfs/dbraw/zinc/68/31/92/1026683192.db2.gz PBYSJYRURNHSPU-MRXNPFEDSA-N 1 3 313.442 -0.034 20 0 DBADHO