smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)[NH2+]C(C)(C)[C@](O)(C(N)=O)C1=O ZINC000000205555 188099377 /nfs/dbraw/zinc/09/93/77/188099377.db2.gz DUTLEJZALNNRPT-SECBINFHSA-N 1 2 200.238 -1.068 10 0 BAAELO [NH3+][C@@H](CO)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000002522642 342782611 /nfs/dbraw/zinc/78/26/11/342782611.db2.gz YZMPDHTZJJCGEI-BQBZGAKWSA-N 1 2 242.235 -2.159 10 0 endogenous,in-man BAAELO [NH3+][C@@H](CO)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000002522642 342782610 /nfs/dbraw/zinc/78/26/10/342782610.db2.gz YZMPDHTZJJCGEI-BQBZGAKWSA-N 1 2 242.235 -2.159 10 0 endogenous,in-man BAAELO [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[P@](=O)([O-])O)[C@H](O)[C@H]1O ZINC000004096266 560193926 /nfs/dbraw/zinc/19/39/26/560193926.db2.gz UBXDUQZBZKTGSW-FPRJBGLDSA-N 1 2 242.168 -2.756 10 0 in-vitro BAAELO [NH3+][C@@H]1C[C@H]([NH3+])[C@@H](O[P@@](=O)([O-])O)[C@H](O)[C@H]1O ZINC000004096266 560193925 /nfs/dbraw/zinc/19/39/25/560193925.db2.gz UBXDUQZBZKTGSW-FPRJBGLDSA-N 1 2 242.168 -2.756 10 0 in-vitro BAAELO C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000004531655 571686356 /nfs/dbraw/zinc/68/63/56/571686356.db2.gz XZWXFWBHYRFLEF-IYSWYEEDSA-N 1 2 226.236 -1.131 10 0 endogenous,in-man BAAELO C[C@@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000004531655 571686353 /nfs/dbraw/zinc/68/63/53/571686353.db2.gz XZWXFWBHYRFLEF-IYSWYEEDSA-N 1 2 226.236 -1.131 10 0 endogenous,in-man BAAELO C[C@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000004533520 571687000 /nfs/dbraw/zinc/68/70/00/571687000.db2.gz FRJIAZKQGSCKPQ-CAHLUQPWSA-N 1 2 226.236 -1.131 10 0 endogenous,in-man BAAELO C[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000004533521 571686908 /nfs/dbraw/zinc/68/69/08/571686908.db2.gz FRJIAZKQGSCKPQ-IYSWYEEDSA-N 1 2 226.236 -1.131 10 0 endogenous,in-man BAAELO C[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000004533523 571687175 /nfs/dbraw/zinc/68/71/75/571687175.db2.gz FRJIAZKQGSCKPQ-VDTYLAMSSA-N 1 2 226.236 -1.131 10 0 endogenous,in-man BAAELO C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000005115825 571687757 /nfs/dbraw/zinc/68/77/57/571687757.db2.gz XZWXFWBHYRFLEF-CAHLUQPWSA-N 1 2 226.236 -1.131 10 0 endogenous,in-man BAAELO C[C@H]([NH3+])C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000005115825 571687752 /nfs/dbraw/zinc/68/77/52/571687752.db2.gz XZWXFWBHYRFLEF-CAHLUQPWSA-N 1 2 226.236 -1.131 10 0 endogenous,in-man BAAELO C[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000005115921 571688092 /nfs/dbraw/zinc/68/80/92/571688092.db2.gz XZWXFWBHYRFLEF-VDTYLAMSSA-N 1 2 226.236 -1.131 10 0 endogenous,in-man BAAELO C[C@@H]([NH3+])C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000005115921 571688090 /nfs/dbraw/zinc/68/80/90/571688090.db2.gz XZWXFWBHYRFLEF-VDTYLAMSSA-N 1 2 226.236 -1.131 10 0 endogenous,in-man BAAELO [NH3+]CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000005133227 181354372 /nfs/dbraw/zinc/35/43/72/181354372.db2.gz RXAOVSDTBKWPLP-RITPCOANSA-N 1 2 212.209 -1.614 10 0 BAAELO [NH3+]CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000005133227 181354369 /nfs/dbraw/zinc/35/43/69/181354369.db2.gz RXAOVSDTBKWPLP-RITPCOANSA-N 1 2 212.209 -1.614 10 0 BAAELO [NH3+]CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000005133228 181353126 /nfs/dbraw/zinc/35/31/26/181353126.db2.gz RXAOVSDTBKWPLP-WDSKDSINSA-N 1 2 212.209 -1.614 10 0 BAAELO [NH3+]CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000005133228 181353123 /nfs/dbraw/zinc/35/31/23/181353123.db2.gz RXAOVSDTBKWPLP-WDSKDSINSA-N 1 2 212.209 -1.614 10 0 BAAELO OCNc1nc(N(CO)CO)nc(NCO)[nH+]1 ZINC000005178905 183103205 /nfs/dbraw/zinc/10/32/05/183103205.db2.gz ZHMXFGZXNLJXRI-UHFFFAOYSA-N 1 2 246.227 -2.699 10 0 BAAELO NC(=[NH2+])NC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O ZINC000005438036 181189443 /nfs/dbraw/zinc/18/94/43/181189443.db2.gz KSNSQOVBNYYHLW-MGCNEYSASA-N 1 2 234.212 -3.382 10 0 in-vitro BAAELO C[C@H](O)[C@H](O)[C@@H]1CNc2[nH+]c(N)nc(N)c2N1 ZINC000006381852 177013802 /nfs/dbraw/zinc/01/38/02/177013802.db2.gz NDSDGUULXHNXGA-FKZODXBYSA-N 1 2 240.267 -1.411 10 0 investigational BAAELO C[C@H](O)[C@H](O)[C@@H]1CNc2nc(N)[nH+]c(N)c2N1 ZINC000006381852 177013801 /nfs/dbraw/zinc/01/38/01/177013801.db2.gz NDSDGUULXHNXGA-FKZODXBYSA-N 1 2 240.267 -1.411 10 0 investigational BAAELO Cn1c[nH+]cc1C[C@@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC000013366235 342866393 /nfs/dbraw/zinc/86/63/93/342866393.db2.gz MYYIAHXIVFADCU-MRVPVSSYSA-N 1 2 240.263 -1.119 10 0 BAAELO [NH3+]CC(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000013514835 571702804 /nfs/dbraw/zinc/70/28/04/571702804.db2.gz WNDNXCYHNXBXNK-BYPYZUCNSA-N 1 2 203.198 -2.220 10 0 endogenous,in-man BAAELO [NH3+][C@@H](CO)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000013514843 571703099 /nfs/dbraw/zinc/70/30/99/571703099.db2.gz XSBSFWZOXUFADP-WHFBIAKZSA-N 1 2 233.224 -2.859 10 0 endogenous,in-man BAAELO COC(=O)[C@@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000025419321 351005188 /nfs/dbraw/zinc/00/51/88/351005188.db2.gz UPDQKYWQBDJMMO-LURJTMIESA-N 1 2 222.266 -1.607 10 0 BAAELO COC(=O)[C@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000025419326 351005169 /nfs/dbraw/zinc/00/51/69/351005169.db2.gz UPDQKYWQBDJMMO-ZCFIWIBFSA-N 1 2 222.266 -1.607 10 0 BAAELO CC(=O)N[C@H]1[NH2+]C[C@@H](C(=O)[O-])[C@H]([NH3+])[C@@H]1O ZINC000028568351 187320718 /nfs/dbraw/zinc/32/07/18/187320718.db2.gz ZISGJKOGWNAXKI-JRTVQGFMSA-N 1 2 217.225 -2.559 10 0 BAAELO [NH3+][C@H]1CCC(=O)N(CCN2CCOCC2)C1=O ZINC000031992918 181638620 /nfs/dbraw/zinc/63/86/20/181638620.db2.gz BLDLSHDHIVOGTA-VIFPVBQESA-N 1 2 241.291 -1.205 10 0 BAAELO C[C@H](O)[C@H](O)[C@H]1CNc2[nH+]c(N)nc(N)c2N1 ZINC000033821171 177014054 /nfs/dbraw/zinc/01/40/54/177014054.db2.gz NDSDGUULXHNXGA-RPDRRWSUSA-N 1 2 240.267 -1.411 10 0 investigational BAAELO C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)[nH+]c(N)c2N1 ZINC000033821171 177014053 /nfs/dbraw/zinc/01/40/53/177014053.db2.gz NDSDGUULXHNXGA-RPDRRWSUSA-N 1 2 240.267 -1.411 10 0 investigational BAAELO [NH3+][C@H](CO)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000034113327 571749509 /nfs/dbraw/zinc/74/95/09/571749509.db2.gz YZMPDHTZJJCGEI-RQJHMYQMSA-N 1 2 242.235 -2.159 10 0 endogenous,in-man BAAELO [NH3+][C@H](CO)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000034113327 571749504 /nfs/dbraw/zinc/74/95/04/571749504.db2.gz YZMPDHTZJJCGEI-RQJHMYQMSA-N 1 2 242.235 -2.159 10 0 endogenous,in-man BAAELO [NH3+][C@H](CO)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000034113328 571750034 /nfs/dbraw/zinc/75/00/34/571750034.db2.gz YZMPDHTZJJCGEI-RNFRBKRXSA-N 1 2 242.235 -2.159 10 0 endogenous,in-man BAAELO [NH3+][C@H](CO)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000034113328 571750031 /nfs/dbraw/zinc/75/00/31/571750031.db2.gz YZMPDHTZJJCGEI-RNFRBKRXSA-N 1 2 242.235 -2.159 10 0 endogenous,in-man BAAELO [NH3+][C@@H](CO)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000034113329 571749928 /nfs/dbraw/zinc/74/99/28/571749928.db2.gz YZMPDHTZJJCGEI-NKWVEPMBSA-N 1 2 242.235 -2.159 10 0 endogenous,in-man BAAELO [NH3+][C@@H](CO)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000034113329 571749924 /nfs/dbraw/zinc/74/99/24/571749924.db2.gz YZMPDHTZJJCGEI-NKWVEPMBSA-N 1 2 242.235 -2.159 10 0 endogenous,in-man BAAELO C[NH+]1CCN(S(=O)(=O)CCCO)CC1 ZINC000034505441 173092107 /nfs/dbraw/zinc/09/21/07/173092107.db2.gz LXIJRVFUBSXRLL-UHFFFAOYSA-N 1 2 222.310 -1.054 10 0 BAAELO C[NH+]1CCN(C(=O)C[NH2+]CC(=O)[O-])CC1 ZINC000035385677 173066663 /nfs/dbraw/zinc/06/66/63/173066663.db2.gz WJJZULMWMIZJMQ-UHFFFAOYSA-N 1 2 215.253 -1.565 10 0 BAAELO C[NH+]1CCN(S(=O)(=O)c2c[nH]nc2N)CC1 ZINC000037471433 173093180 /nfs/dbraw/zinc/09/31/80/173093180.db2.gz INSYICAJSFWCRF-UHFFFAOYSA-N 1 2 245.308 -1.072 10 0 BAAELO CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037489578 173278128 /nfs/dbraw/zinc/27/81/28/173278128.db2.gz CWFLBUDFPUWGBF-RITPCOANSA-N 1 2 222.266 -2.520 10 0 BAAELO CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037489579 173278639 /nfs/dbraw/zinc/27/86/39/173278639.db2.gz CWFLBUDFPUWGBF-WDSKDSINSA-N 1 2 222.266 -2.520 10 0 BAAELO CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000037489580 173278141 /nfs/dbraw/zinc/27/81/41/173278141.db2.gz CWFLBUDFPUWGBF-PHDIDXHHSA-N 1 2 222.266 -2.520 10 0 BAAELO CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1O ZINC000037489581 173278708 /nfs/dbraw/zinc/27/87/08/173278708.db2.gz CWFLBUDFPUWGBF-NTSWFWBYSA-N 1 2 222.266 -2.520 10 0 BAAELO NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1O ZINC000037692716 181236640 /nfs/dbraw/zinc/23/66/40/181236640.db2.gz LQFCXTKCHJCJPE-CRCLSJGQSA-N 1 2 208.239 -2.781 10 0 BAAELO NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000037692717 181236728 /nfs/dbraw/zinc/23/67/28/181236728.db2.gz LQFCXTKCHJCJPE-RFZPGFLSSA-N 1 2 208.239 -2.781 10 0 BAAELO NC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037692718 181236538 /nfs/dbraw/zinc/23/65/38/181236538.db2.gz LQFCXTKCHJCJPE-WHFBIAKZSA-N 1 2 208.239 -2.781 10 0 BAAELO NC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037692719 181236341 /nfs/dbraw/zinc/23/63/41/181236341.db2.gz LQFCXTKCHJCJPE-UHNVWZDZSA-N 1 2 208.239 -2.781 10 0 BAAELO CCNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1O ZINC000037692864 170065569 /nfs/dbraw/zinc/06/55/69/170065569.db2.gz LQBBRYLPIIYORP-RQJHMYQMSA-N 1 2 236.293 -2.130 10 0 BAAELO CCNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1O ZINC000037692865 170065671 /nfs/dbraw/zinc/06/56/71/170065671.db2.gz LQBBRYLPIIYORP-BQBZGAKWSA-N 1 2 236.293 -2.130 10 0 BAAELO CCNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O ZINC000037692866 170065731 /nfs/dbraw/zinc/06/57/31/170065731.db2.gz LQBBRYLPIIYORP-RNFRBKRXSA-N 1 2 236.293 -2.130 10 0 BAAELO CCNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1O ZINC000037692867 170065754 /nfs/dbraw/zinc/06/57/54/170065754.db2.gz LQBBRYLPIIYORP-NKWVEPMBSA-N 1 2 236.293 -2.130 10 0 BAAELO Nc1nc(N(CO)CO)nc(N(CO)CO)[nH+]1 ZINC000038613531 343378145 /nfs/dbraw/zinc/37/81/45/343378145.db2.gz WEAJVJTWVRAPED-UHFFFAOYSA-N 1 2 246.227 -3.134 10 0 BAAELO C[NH2+]CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000038922537 173331770 /nfs/dbraw/zinc/33/17/70/173331770.db2.gz FFHVWZAZBDMXHD-ZETCQYMHSA-N 1 2 226.236 -1.259 10 0 BAAELO C[NH2+]CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000038922537 173331768 /nfs/dbraw/zinc/33/17/68/173331768.db2.gz FFHVWZAZBDMXHD-ZETCQYMHSA-N 1 2 226.236 -1.259 10 0 BAAELO C[NH2+]CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000038922539 173332780 /nfs/dbraw/zinc/33/27/80/173332780.db2.gz FFHVWZAZBDMXHD-SSDOTTSWSA-N 1 2 226.236 -1.259 10 0 BAAELO C[NH2+]CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000038922539 173332778 /nfs/dbraw/zinc/33/27/78/173332778.db2.gz FFHVWZAZBDMXHD-SSDOTTSWSA-N 1 2 226.236 -1.259 10 0 BAAELO CC(=O)N[C@H]1[NH2+]C[C@@H](C(=O)[O-])[C@H]([NH3+])[C@H]1O ZINC000038978138 187254691 /nfs/dbraw/zinc/25/46/91/187254691.db2.gz ZISGJKOGWNAXKI-XZBKPIIZSA-N 1 2 217.225 -2.559 10 0 BAAELO CCOC(=O)[C@H](O)[C@H]([NH3+])C(=O)OCC ZINC000039018590 358216955 /nfs/dbraw/zinc/21/69/55/358216955.db2.gz WFZRGMCRULKCOB-NTSWFWBYSA-N 1 2 205.210 -1.199 10 0 BAAELO C[NH+]1CCC2(CC1)NC(=O)CS2(=O)=O ZINC000039110006 173003438 /nfs/dbraw/zinc/00/34/38/173003438.db2.gz WHXVBVLXYOYKLF-UHFFFAOYSA-N 1 2 218.278 -1.047 10 0 BAAELO COC(=O)C[C@@H](C(=O)OC)[NH+](CCO)CCO ZINC000039280788 372930376 /nfs/dbraw/zinc/93/03/76/372930376.db2.gz VVGOBGOCYXILDT-QMMMGPOBSA-N 1 2 249.263 -1.622 10 0 BAAELO COC(=O)C[C@H](C(=O)OC)[NH+](CCO)CCO ZINC000039280790 372930500 /nfs/dbraw/zinc/93/05/00/372930500.db2.gz VVGOBGOCYXILDT-MRVPVSSYSA-N 1 2 249.263 -1.622 10 0 BAAELO [NH3+]CC(=O)N1CC[NH+](CC(=O)[O-])CC1 ZINC000040482583 181349323 /nfs/dbraw/zinc/34/93/23/181349323.db2.gz SXYQTVNHWVFRGD-UHFFFAOYSA-N 1 2 201.226 -1.826 10 0 BAAELO C[C@H]([NH3+])C(=O)N1CC[NH+](CC(=O)[O-])CC1 ZINC000040482596 176747398 /nfs/dbraw/zinc/74/73/98/176747398.db2.gz CICZLCJKMBLIAD-ZETCQYMHSA-N 1 2 215.253 -1.438 10 0 BAAELO C[C@@H]([NH3+])C(=O)N1CC[NH+](CC(=O)[O-])CC1 ZINC000040482597 175794705 /nfs/dbraw/zinc/79/47/05/175794705.db2.gz CICZLCJKMBLIAD-SSDOTTSWSA-N 1 2 215.253 -1.438 10 0 BAAELO CS(=O)(=O)N1CC[NH+](CC(N)=S)CC1 ZINC000041278876 388435034 /nfs/dbraw/zinc/43/50/34/388435034.db2.gz CFJUGLVMHZZPOQ-UHFFFAOYSA-N 1 2 237.350 -1.150 10 0 BAAELO CC(=O)N1CCC[N@@H+](CC(=O)NCCO)CC1 ZINC000042681149 188294681 /nfs/dbraw/zinc/29/46/81/188294681.db2.gz QXGCQMYCFWXFTA-UHFFFAOYSA-N 1 2 243.307 -1.351 10 0 BAAELO CC(=O)N1CCC[N@H+](CC(=O)NCCO)CC1 ZINC000042681149 188294680 /nfs/dbraw/zinc/29/46/80/188294680.db2.gz QXGCQMYCFWXFTA-UHFFFAOYSA-N 1 2 243.307 -1.351 10 0 BAAELO O=C(NCc1nn[nH]n1)[C@H]1CSC[NH2+]1 ZINC000044932512 182275462 /nfs/dbraw/zinc/27/54/62/182275462.db2.gz IUXAMOZFPSTMGW-SCSAIBSYSA-N 1 2 214.254 -1.522 10 0 BAAELO O=C(NCc1nn[nH]n1)[C@@H]1CSC[NH2+]1 ZINC000044932514 182275376 /nfs/dbraw/zinc/27/53/76/182275376.db2.gz IUXAMOZFPSTMGW-BYPYZUCNSA-N 1 2 214.254 -1.522 10 0 BAAELO O=C(NCc1nn[nH]n1)[C@@H]1C[NH2+]CCO1 ZINC000044932780 182275757 /nfs/dbraw/zinc/27/57/57/182275757.db2.gz ACVDEVHCGCSQPC-YFKPBYRVSA-N 1 2 212.213 -2.196 10 0 BAAELO O=C(NCc1nn[nH]n1)[C@H]1C[NH2+]CCO1 ZINC000044932783 182275934 /nfs/dbraw/zinc/27/59/34/182275934.db2.gz ACVDEVHCGCSQPC-RXMQYKEDSA-N 1 2 212.213 -2.196 10 0 BAAELO C[NH2+][C@@H](CN1C(=O)CCC1=O)C(=O)OC ZINC000045460992 582879798 /nfs/dbraw/zinc/87/97/98/582879798.db2.gz UFBNWMBFHASJGR-LURJTMIESA-N 1 2 214.221 -1.104 10 0 BAAELO C[NH2+][C@H](CN1C(=O)CCC1=O)C(=O)OC ZINC000045460993 582880022 /nfs/dbraw/zinc/88/00/22/582880022.db2.gz UFBNWMBFHASJGR-ZCFIWIBFSA-N 1 2 214.221 -1.104 10 0 BAAELO COC[C@H](C)NC(=O)CN1CC[NH2+]CC1=O ZINC000051666638 411280349 /nfs/dbraw/zinc/28/03/49/411280349.db2.gz DGJLJHAHBMJPJP-QMMMGPOBSA-N 1 2 229.280 -1.431 10 0 BAAELO O=C1NCC[NH2+]C12CCS(=O)(=O)CC2 ZINC000051925400 182804421 /nfs/dbraw/zinc/80/44/21/182804421.db2.gz OWHVNDLAYZYYGW-UHFFFAOYSA-N 1 2 218.278 -1.347 10 0 BAAELO C[C@H](O)[C@H]([NH3+])c1nc(CS(C)(=O)=O)no1 ZINC000052788388 177013525 /nfs/dbraw/zinc/01/35/25/177013525.db2.gz MXWSIJVJVIQJAW-NJGYIYPDSA-N 1 2 235.265 -1.005 10 0 BAAELO C[C@H](O)[C@@H]([NH3+])c1nc(CS(C)(=O)=O)no1 ZINC000052788390 177006671 /nfs/dbraw/zinc/00/66/71/177006671.db2.gz MXWSIJVJVIQJAW-UJURSFKZSA-N 1 2 235.265 -1.005 10 0 BAAELO CS(=O)(=O)Cc1noc([C@@H]([NH3+])CO)n1 ZINC000052788407 175426484 /nfs/dbraw/zinc/42/64/84/175426484.db2.gz HMQPWBJTCHTYKT-BYPYZUCNSA-N 1 2 221.238 -1.394 10 0 BAAELO C[C@@H](C[NH3+])C(=O)N1CC[NH+](CC(=O)[O-])CC1 ZINC000054343078 175704783 /nfs/dbraw/zinc/70/47/83/175704783.db2.gz GEQWMTLVGBXZPD-QMMMGPOBSA-N 1 2 229.280 -1.190 10 0 BAAELO C[C@H](C[NH3+])C(=O)N1CC[NH+](CC(=O)[O-])CC1 ZINC000054343081 176655695 /nfs/dbraw/zinc/65/56/95/176655695.db2.gz GEQWMTLVGBXZPD-MRVPVSSYSA-N 1 2 229.280 -1.190 10 0 BAAELO C[NH+]1CCN(C(=O)c2nc(N)n[nH]2)CC1 ZINC000055163868 173074238 /nfs/dbraw/zinc/07/42/38/173074238.db2.gz LQJXLQJSBUXFFP-UHFFFAOYSA-N 1 2 210.241 -1.226 10 0 BAAELO CC[C@H](C(N)=O)[NH+]1CCN(CCO)CC1 ZINC000061678764 171245575 /nfs/dbraw/zinc/24/55/75/171245575.db2.gz IIFOZECFMVGFMP-SECBINFHSA-N 1 2 215.297 -1.140 10 0 BAAELO NC(=[NH2+])NC(=O)N[C@H]1C[C@@H](O)[C@@H](CO)O1 ZINC000065739831 181189869 /nfs/dbraw/zinc/18/98/69/181189869.db2.gz VGUQMXPKKFTIJO-UOWFLXDJSA-N 1 2 218.213 -2.353 10 0 in-vitro BAAELO C[NH+]1CCN(c2nc(N)c(C=O)c(=O)[nH]2)CC1 ZINC000072416224 132397530 /nfs/dbraw/zinc/39/75/30/132397530.db2.gz GXZWTUYNZWSRGD-UHFFFAOYSA-N 1 2 237.263 -1.084 10 0 BAAELO C[N@H+]1CCO[C@H](CNS(C)(=O)=O)C1 ZINC000074773519 359128399 /nfs/dbraw/zinc/12/83/99/359128399.db2.gz MXKTWHXYFAAQRK-SSDOTTSWSA-N 1 2 208.283 -1.134 10 0 BAAELO C[N@@H+]1CCO[C@H](CNS(C)(=O)=O)C1 ZINC000074773519 359128396 /nfs/dbraw/zinc/12/83/96/359128396.db2.gz MXKTWHXYFAAQRK-SSDOTTSWSA-N 1 2 208.283 -1.134 10 0 BAAELO C[N@H+]1CCO[C@@H](CNS(C)(=O)=O)C1 ZINC000074773521 359128806 /nfs/dbraw/zinc/12/88/06/359128806.db2.gz MXKTWHXYFAAQRK-ZETCQYMHSA-N 1 2 208.283 -1.134 10 0 BAAELO C[N@@H+]1CCO[C@@H](CNS(C)(=O)=O)C1 ZINC000074773521 359128803 /nfs/dbraw/zinc/12/88/03/359128803.db2.gz MXKTWHXYFAAQRK-ZETCQYMHSA-N 1 2 208.283 -1.134 10 0 BAAELO CN(C)S(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000074773536 343359875 /nfs/dbraw/zinc/35/98/75/343359875.db2.gz DSVDDZZMCQWWMZ-MRVPVSSYSA-N 1 2 237.325 -1.287 10 0 BAAELO CN(C)S(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000074773536 343359873 /nfs/dbraw/zinc/35/98/73/343359873.db2.gz DSVDDZZMCQWWMZ-MRVPVSSYSA-N 1 2 237.325 -1.287 10 0 BAAELO CN(C)S(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000074773538 343359954 /nfs/dbraw/zinc/35/99/54/343359954.db2.gz DSVDDZZMCQWWMZ-QMMMGPOBSA-N 1 2 237.325 -1.287 10 0 BAAELO CN(C)S(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000074773538 343359952 /nfs/dbraw/zinc/35/99/52/343359952.db2.gz DSVDDZZMCQWWMZ-QMMMGPOBSA-N 1 2 237.325 -1.287 10 0 BAAELO OC[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1[NH2+][C@H](O)CS1 ZINC000077312914 183112488 /nfs/dbraw/zinc/11/24/88/183112488.db2.gz MTQJDFBYTNFYRA-GKHCUFPYSA-N 1 2 225.266 -2.958 10 0 in-vitro BAAELO OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1[NH2+][C@H](O)CS1 ZINC000077312915 183113847 /nfs/dbraw/zinc/11/38/47/183113847.db2.gz MTQJDFBYTNFYRA-NYMZXIIRSA-N 1 2 225.266 -2.958 10 0 in-vitro BAAELO C[NH+]1CCN(C(=O)[C@H]([NH3+])CC(=O)[O-])CC1 ZINC000082534836 173072182 /nfs/dbraw/zinc/07/21/82/173072182.db2.gz XFMQLHCVIQRQFY-SSDOTTSWSA-N 1 2 215.253 -1.438 10 0 BAAELO C[NH+]1CCN(C(=O)[C@@H]([NH3+])CC(=O)[O-])CC1 ZINC000082534838 173069893 /nfs/dbraw/zinc/06/98/93/173069893.db2.gz XFMQLHCVIQRQFY-ZETCQYMHSA-N 1 2 215.253 -1.438 10 0 BAAELO Cn1nnnc1NC[C@@H]1C[N@@H+](C)CCO1 ZINC000082643950 362072265 /nfs/dbraw/zinc/07/22/65/362072265.db2.gz PQSUDDBCLMKVLE-SSDOTTSWSA-N 1 2 212.257 -1.047 10 0 BAAELO Cn1nnnc1NC[C@@H]1C[N@H+](C)CCO1 ZINC000082643950 362072263 /nfs/dbraw/zinc/07/22/63/362072263.db2.gz PQSUDDBCLMKVLE-SSDOTTSWSA-N 1 2 212.257 -1.047 10 0 BAAELO Cn1nnnc1NC[C@H]1C[N@@H+](C)CCO1 ZINC000082643951 362072066 /nfs/dbraw/zinc/07/20/66/362072066.db2.gz PQSUDDBCLMKVLE-ZETCQYMHSA-N 1 2 212.257 -1.047 10 0 BAAELO Cn1nnnc1NC[C@H]1C[N@H+](C)CCO1 ZINC000082643951 362072061 /nfs/dbraw/zinc/07/20/61/362072061.db2.gz PQSUDDBCLMKVLE-ZETCQYMHSA-N 1 2 212.257 -1.047 10 0 BAAELO COC(=O)[C@](C)([NH3+])CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000082924111 643388607 /nfs/dbraw/zinc/38/86/07/643388607.db2.gz VCYPOCBIPXLVQU-GOZTUDAPSA-N 1 2 226.232 -1.118 10 0 BAAELO COC(=O)[C@@](C)([NH3+])CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000082924112 643387863 /nfs/dbraw/zinc/38/78/63/643387863.db2.gz VCYPOCBIPXLVQU-ZTNVNUCQSA-N 1 2 226.232 -1.118 10 0 BAAELO COC(=O)[C@H]([NH3+])CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000082924138 538037668 /nfs/dbraw/zinc/03/76/68/538037668.db2.gz PBTSAZQPIWKCPB-NGJCXOISSA-N 1 2 212.205 -1.508 10 0 BAAELO COC(=O)[C@@H]([NH3+])CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000082924139 538038927 /nfs/dbraw/zinc/03/89/27/538038927.db2.gz PBTSAZQPIWKCPB-JKUQZMGJSA-N 1 2 212.205 -1.508 10 0 BAAELO CCOC(=O)[C@H]([NH3+])CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000082924140 643388365 /nfs/dbraw/zinc/38/83/65/643388365.db2.gz ZRZUZMFFDIRKDJ-DSYKOEDSSA-N 1 2 226.232 -1.118 10 0 BAAELO CCOC(=O)[C@@H]([NH3+])CN1C(=O)[C@@H]2C[C@@H]2C1=O ZINC000082924141 643389760 /nfs/dbraw/zinc/38/97/60/643389760.db2.gz ZRZUZMFFDIRKDJ-XVMARJQXSA-N 1 2 226.232 -1.118 10 0 BAAELO O=C([C@@H]1COCC[NH2+]1)N1CCNC(=O)C1 ZINC000083872121 487955262 /nfs/dbraw/zinc/95/52/62/487955262.db2.gz WWDRSKVVMZSTBL-ZETCQYMHSA-N 1 2 213.237 -2.067 10 0 BAAELO O=C([C@H]1COCC[NH2+]1)N1CCNC(=O)C1 ZINC000083872124 384339416 /nfs/dbraw/zinc/33/94/16/384339416.db2.gz WWDRSKVVMZSTBL-SSDOTTSWSA-N 1 2 213.237 -2.067 10 0 BAAELO CN(C)C(=O)CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000083872407 136286682 /nfs/dbraw/zinc/28/66/82/136286682.db2.gz DAOJDHQUNDKCAA-MRVPVSSYSA-N 1 2 229.280 -1.479 10 0 BAAELO CC(C)NC(=O)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083872443 487955390 /nfs/dbraw/zinc/95/53/90/487955390.db2.gz CPJXHGIQOLQEEW-QMMMGPOBSA-N 1 2 229.280 -1.384 10 0 BAAELO CC(C)NC(=O)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000083872444 398186932 /nfs/dbraw/zinc/18/69/32/398186932.db2.gz CPJXHGIQOLQEEW-MRVPVSSYSA-N 1 2 229.280 -1.384 10 0 BAAELO CCCNC(=O)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000083872456 487955438 /nfs/dbraw/zinc/95/54/38/487955438.db2.gz HITGCNGKMHLDPY-QMMMGPOBSA-N 1 2 229.280 -1.383 10 0 BAAELO CCCNC(=O)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000083872458 398187248 /nfs/dbraw/zinc/18/72/48/398187248.db2.gz HITGCNGKMHLDPY-MRVPVSSYSA-N 1 2 229.280 -1.383 10 0 BAAELO CCN(CC(=O)NC)C(=O)[C@@H]1COCC[NH2+]1 ZINC000083872604 643626922 /nfs/dbraw/zinc/62/69/22/643626922.db2.gz GMIHBXBPTORPQT-QMMMGPOBSA-N 1 2 229.280 -1.431 10 0 BAAELO CCN(CC(=O)NC)C(=O)[C@H]1COCC[NH2+]1 ZINC000083872606 643627037 /nfs/dbraw/zinc/62/70/37/643627037.db2.gz GMIHBXBPTORPQT-MRVPVSSYSA-N 1 2 229.280 -1.431 10 0 BAAELO CCNC(=O)[C@@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000083872612 136286835 /nfs/dbraw/zinc/28/68/35/136286835.db2.gz KOAZEMAAMUTCMZ-SFYZADRCSA-N 1 2 229.280 -1.384 10 0 BAAELO CCNC(=O)[C@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000083872613 136286845 /nfs/dbraw/zinc/28/68/45/136286845.db2.gz KOAZEMAAMUTCMZ-YUMQZZPRSA-N 1 2 229.280 -1.384 10 0 BAAELO CCNC(=O)[C@@H](C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000083872616 384809439 /nfs/dbraw/zinc/80/94/39/384809439.db2.gz KOAZEMAAMUTCMZ-HTQZYQBOSA-N 1 2 229.280 -1.384 10 0 BAAELO CCNC(=O)[C@H](C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000083872617 384806521 /nfs/dbraw/zinc/80/65/21/384806521.db2.gz KOAZEMAAMUTCMZ-JGVFFNPUSA-N 1 2 229.280 -1.384 10 0 BAAELO C[C@@H](NC(=O)[C@@H]1COCC[NH2+]1)C(=O)N(C)C ZINC000083872643 487955283 /nfs/dbraw/zinc/95/52/83/487955283.db2.gz LFEQJIFCTOPLDP-SFYZADRCSA-N 1 2 229.280 -1.432 10 0 BAAELO C[C@@H](NC(=O)[C@H]1COCC[NH2+]1)C(=O)N(C)C ZINC000083872647 368832473 /nfs/dbraw/zinc/83/24/73/368832473.db2.gz LFEQJIFCTOPLDP-HTQZYQBOSA-N 1 2 229.280 -1.432 10 0 BAAELO CCNC(=O)CN(C)C(=O)[C@H]1COCC[NH2+]1 ZINC000083872868 487954898 /nfs/dbraw/zinc/95/48/98/487954898.db2.gz OCBCYFISLABOQD-MRVPVSSYSA-N 1 2 229.280 -1.431 10 0 BAAELO O=C([C@H]1COCC[NH2+]1)N1CCCNC(=O)C1 ZINC000083874104 643628498 /nfs/dbraw/zinc/62/84/98/643628498.db2.gz UEAWYXQFEYADGC-MRVPVSSYSA-N 1 2 227.264 -1.677 10 0 BAAELO O=C1CNCC(=O)N1CC[NH+]1CCOCC1 ZINC000085086849 386786735 /nfs/dbraw/zinc/78/67/35/386786735.db2.gz NVPXPZRTGXAIRK-UHFFFAOYSA-N 1 2 227.264 -1.723 10 0 BAAELO CCOC(=O)c1n[nH]c([C@H]([NH3+])CO)n1 ZINC000085443535 368864261 /nfs/dbraw/zinc/86/42/61/368864261.db2.gz APGGSFODXWSUMB-SCSAIBSYSA-N 1 2 200.198 -1.027 10 0 BAAELO CCOC(=O)c1n[nH]c([C@@H]([NH3+])CO)n1 ZINC000085443536 368864535 /nfs/dbraw/zinc/86/45/35/368864535.db2.gz APGGSFODXWSUMB-BYPYZUCNSA-N 1 2 200.198 -1.027 10 0 BAAELO [NH3+][C@@H](CCC[NH2+]C[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000086033555 574416933 /nfs/dbraw/zinc/41/69/33/574416933.db2.gz BKYZUPUACXSQQT-WDSKDSINSA-N 1 2 219.241 -1.820 10 0 endogenous,in-man BAAELO [NH3+][C@H](CCC[NH2+]C[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000086033559 574416936 /nfs/dbraw/zinc/41/69/36/574416936.db2.gz BKYZUPUACXSQQT-RITPCOANSA-N 1 2 219.241 -1.820 10 0 endogenous,in-man BAAELO [NH3+][C@H](C[NH2+]CCC[C@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000086033568 574416930 /nfs/dbraw/zinc/41/69/30/574416930.db2.gz BKYZUPUACXSQQT-NTSWFWBYSA-N 1 2 219.241 -1.820 10 0 endogenous,in-man BAAELO [NH3+][C@H](CCC[NH2+]C[C@@H]([NH3+])C(=O)[O-])C(=O)[O-] ZINC000086033572 574416941 /nfs/dbraw/zinc/41/69/41/574416941.db2.gz BKYZUPUACXSQQT-PHDIDXHHSA-N 1 2 219.241 -1.820 10 0 endogenous,in-man BAAELO CCN(CC(=O)N(C)C)C(=O)[C@@H]1COCC[NH2+]1 ZINC000088358049 487722327 /nfs/dbraw/zinc/72/23/27/487722327.db2.gz CYRHYPQYZOVGHD-VIFPVBQESA-N 1 2 243.307 -1.089 10 0 BAAELO CCN(CC(=O)N(C)C)C(=O)[C@H]1COCC[NH2+]1 ZINC000088358050 487721866 /nfs/dbraw/zinc/72/18/66/487721866.db2.gz CYRHYPQYZOVGHD-SECBINFHSA-N 1 2 243.307 -1.089 10 0 BAAELO O=C(N[C@@H]1CCCCNC1=O)[C@@H]1COCC[NH2+]1 ZINC000088358527 487722410 /nfs/dbraw/zinc/72/24/10/487722410.db2.gz QZIKPHGAAIIETM-BDAKNGLRSA-N 1 2 241.291 -1.240 10 0 BAAELO O=C(N[C@H]1CCCCNC1=O)[C@@H]1COCC[NH2+]1 ZINC000088358528 487722160 /nfs/dbraw/zinc/72/21/60/487722160.db2.gz QZIKPHGAAIIETM-IUCAKERBSA-N 1 2 241.291 -1.240 10 0 BAAELO O=C(N[C@@H]1CCCCNC1=O)[C@H]1COCC[NH2+]1 ZINC000088358529 359948401 /nfs/dbraw/zinc/94/84/01/359948401.db2.gz QZIKPHGAAIIETM-RKDXNWHRSA-N 1 2 241.291 -1.240 10 0 BAAELO O=C(N[C@H]1CCCCNC1=O)[C@H]1COCC[NH2+]1 ZINC000088358530 359948793 /nfs/dbraw/zinc/94/87/93/359948793.db2.gz QZIKPHGAAIIETM-DTWKUNHWSA-N 1 2 241.291 -1.240 10 0 BAAELO O=C(Cn1cccn1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000090698827 182068984 /nfs/dbraw/zinc/06/89/84/182068984.db2.gz JTCRULAQTAOFDF-LLVKDONJSA-N 1 2 249.318 -1.001 10 0 BAAELO O=C(Cn1cccn1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000090698828 182069897 /nfs/dbraw/zinc/06/98/97/182069897.db2.gz JTCRULAQTAOFDF-NSHDSACASA-N 1 2 249.318 -1.001 10 0 BAAELO C[NH+](C)C1(C(N)=O)CCS(=O)(=O)CC1 ZINC000095533108 524034949 /nfs/dbraw/zinc/03/49/49/524034949.db2.gz GVMYVOJHIONWPC-UHFFFAOYSA-N 1 2 220.294 -1.019 10 0 BAAELO C[C@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000095617680 574416989 /nfs/dbraw/zinc/41/69/89/574416989.db2.gz XEMDRWVKLPUYDR-WHFBIAKZSA-N 1 2 217.225 -1.832 10 0 endogenous,in-man BAAELO C[C@@H]([NH3+])C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000095617681 574416986 /nfs/dbraw/zinc/41/69/86/574416986.db2.gz XEMDRWVKLPUYDR-UHNVWZDZSA-N 1 2 217.225 -1.832 10 0 endogenous,in-man BAAELO C[C@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617682 574416998 /nfs/dbraw/zinc/41/69/98/574416998.db2.gz XEMDRWVKLPUYDR-CRCLSJGQSA-N 1 2 217.225 -1.832 10 0 endogenous,in-man BAAELO C[C@@H]([NH3+])C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617683 574416973 /nfs/dbraw/zinc/41/69/73/574416973.db2.gz XEMDRWVKLPUYDR-RFZPGFLSSA-N 1 2 217.225 -1.832 10 0 endogenous,in-man BAAELO [NH3+]CC(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617724 574417009 /nfs/dbraw/zinc/41/70/09/574417009.db2.gz WNDNXCYHNXBXNK-SCSAIBSYSA-N 1 2 203.198 -2.220 10 0 endogenous,in-man BAAELO [NH3+][C@H](CO)C(=O)NC(=O)CC[C@H]([NH3+])C(=O)[O-] ZINC000095617790 571796039 /nfs/dbraw/zinc/79/60/39/571796039.db2.gz XSBSFWZOXUFADP-CRCLSJGQSA-N 1 2 233.224 -2.859 10 0 endogenous,in-man BAAELO [NH3+][C@H](CO)C(=O)NC(=O)CC[C@@H]([NH3+])C(=O)[O-] ZINC000095617791 571796723 /nfs/dbraw/zinc/79/67/23/571796723.db2.gz XSBSFWZOXUFADP-RFZPGFLSSA-N 1 2 233.224 -2.859 10 0 endogenous,in-man BAAELO [NH3+][C@H](CCC(=O)NC(=O)[C@@H]([NH3+])CO)C(=O)[O-] ZINC000095617792 571796676 /nfs/dbraw/zinc/79/66/76/571796676.db2.gz XSBSFWZOXUFADP-UHNVWZDZSA-N 1 2 233.224 -2.859 10 0 endogenous,in-man BAAELO O=C1OCC[N@H+]2CCO[C@H]1[C@H](O)C(=O)OCC2 ZINC000096329076 384452592 /nfs/dbraw/zinc/45/25/92/384452592.db2.gz IGBGMNZJSGDIMG-YUMQZZPRSA-N 1 2 245.231 -1.852 10 0 BAAELO O=C1OCC[N@@H+]2CCO[C@H]1[C@H](O)C(=O)OCC2 ZINC000096329076 384452583 /nfs/dbraw/zinc/45/25/83/384452583.db2.gz IGBGMNZJSGDIMG-YUMQZZPRSA-N 1 2 245.231 -1.852 10 0 BAAELO O=C1OCC[N@H+]2CCO[C@H]1[C@@H](O)C(=O)OCC2 ZINC000096329078 384453243 /nfs/dbraw/zinc/45/32/43/384453243.db2.gz IGBGMNZJSGDIMG-SFYZADRCSA-N 1 2 245.231 -1.852 10 0 BAAELO O=C1OCC[N@@H+]2CCO[C@H]1[C@@H](O)C(=O)OCC2 ZINC000096329078 384453238 /nfs/dbraw/zinc/45/32/38/384453238.db2.gz IGBGMNZJSGDIMG-SFYZADRCSA-N 1 2 245.231 -1.852 10 0 BAAELO NC(=[NH2+])NC(=O)N[C@H]1C[C@H](O)[C@@H](CO)O1 ZINC000097974409 350727328 /nfs/dbraw/zinc/72/73/28/350727328.db2.gz VGUQMXPKKFTIJO-VPENINKCSA-N 1 2 218.213 -2.353 10 0 BAAELO C[NH+]1CCN(c2nc(O)cc(=O)[nH]2)CC1 ZINC000100127667 173076642 /nfs/dbraw/zinc/07/66/42/173076642.db2.gz ZKPSHNHUDPKIKJ-UHFFFAOYSA-N 1 2 210.237 -1.364 10 0 BAAELO O=c1ccn(CC[NH+]2CCOCC2)c(=O)[nH]1 ZINC000104298077 183003794 /nfs/dbraw/zinc/00/37/94/183003794.db2.gz RBBPRNVZJAAEIP-UHFFFAOYSA-N 1 2 225.248 -1.131 10 0 BAAELO OC[C@@H]1O[C@H](n2cc[nH+]c2)[C@H](O)[C@@H](O)[C@H]1O ZINC000105367039 183132849 /nfs/dbraw/zinc/13/28/49/183132849.db2.gz MFFNQAMHVXENEY-XRBOHMRVSA-N 1 2 230.220 -2.145 10 0 BAAELO O=C([C@H]1CNC(=O)C1)N1CC[NH+](CCO)CC1 ZINC000105888050 384814836 /nfs/dbraw/zinc/81/48/36/384814836.db2.gz PNYWFSTWMMNWAE-SECBINFHSA-N 1 2 241.291 -1.741 10 0 BAAELO O=C([C@@H]1CNC(=O)C1)N1CC[NH+](CCO)CC1 ZINC000105888051 384813861 /nfs/dbraw/zinc/81/38/61/384813861.db2.gz PNYWFSTWMMNWAE-VIFPVBQESA-N 1 2 241.291 -1.741 10 0 BAAELO O=C1C[NH2+]CN1[C@@H]1CCS(=O)(=O)C1 ZINC000106882751 369214201 /nfs/dbraw/zinc/21/42/01/369214201.db2.gz VHKFMIRTFMFMSZ-ZCFIWIBFSA-N 1 2 204.251 -1.437 10 0 BAAELO O=C1C[NH2+]CN1[C@H]1CCS(=O)(=O)C1 ZINC000106882752 369214389 /nfs/dbraw/zinc/21/43/89/369214389.db2.gz VHKFMIRTFMFMSZ-LURJTMIESA-N 1 2 204.251 -1.437 10 0 BAAELO O=C(NCC[NH+]1CCOCC1)[C@H]1CNC(=O)C1 ZINC000110357431 323117175 /nfs/dbraw/zinc/11/71/75/323117175.db2.gz MYAZJRGSKLRBHS-SECBINFHSA-N 1 2 241.291 -1.429 10 0 BAAELO O=C(NCC[NH+]1CCOCC1)[C@@H]1CNC(=O)C1 ZINC000110357437 323117200 /nfs/dbraw/zinc/11/72/00/323117200.db2.gz MYAZJRGSKLRBHS-VIFPVBQESA-N 1 2 241.291 -1.429 10 0 BAAELO C[N@H+]1CCO[C@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000110483769 173107331 /nfs/dbraw/zinc/10/73/31/173107331.db2.gz ONXWHBAAEBOIKK-RKDXNWHRSA-N 1 2 241.291 -1.431 10 0 BAAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000110483769 173107329 /nfs/dbraw/zinc/10/73/29/173107329.db2.gz ONXWHBAAEBOIKK-RKDXNWHRSA-N 1 2 241.291 -1.431 10 0 BAAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000110483776 173102786 /nfs/dbraw/zinc/10/27/86/173102786.db2.gz ONXWHBAAEBOIKK-BDAKNGLRSA-N 1 2 241.291 -1.431 10 0 BAAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CNC(=O)C2)C1 ZINC000110483776 173102783 /nfs/dbraw/zinc/10/27/83/173102783.db2.gz ONXWHBAAEBOIKK-BDAKNGLRSA-N 1 2 241.291 -1.431 10 0 BAAELO CCOC(=O)[C@@H]([NH3+])[C@H](O)C(=O)OCC ZINC000116117688 369021951 /nfs/dbraw/zinc/02/19/51/369021951.db2.gz WFZRGMCRULKCOB-WDSKDSINSA-N 1 2 205.210 -1.199 10 0 BAAELO COCC[N@H+]1CCN(S(N)(=O)=O)C[C@H]1C ZINC000117369749 174309842 /nfs/dbraw/zinc/30/98/42/174309842.db2.gz LYHZRQQVCVENAH-MRVPVSSYSA-N 1 2 237.325 -1.158 10 0 BAAELO COCC[N@@H+]1CCN(S(N)(=O)=O)C[C@H]1C ZINC000117369749 174309841 /nfs/dbraw/zinc/30/98/41/174309841.db2.gz LYHZRQQVCVENAH-MRVPVSSYSA-N 1 2 237.325 -1.158 10 0 BAAELO COCC[N@H+]1CCN(S(N)(=O)=O)C[C@@H]1C ZINC000117369750 174309455 /nfs/dbraw/zinc/30/94/55/174309455.db2.gz LYHZRQQVCVENAH-QMMMGPOBSA-N 1 2 237.325 -1.158 10 0 BAAELO COCC[N@@H+]1CCN(S(N)(=O)=O)C[C@@H]1C ZINC000117369750 174309453 /nfs/dbraw/zinc/30/94/53/174309453.db2.gz LYHZRQQVCVENAH-QMMMGPOBSA-N 1 2 237.325 -1.158 10 0 BAAELO Nc1nnc([C@H]2CSCC[NH2+]2)n1N ZINC000126782324 344099959 /nfs/dbraw/zinc/09/99/59/344099959.db2.gz BBCMWLZVZKKUKL-SCSAIBSYSA-N 1 2 200.271 -1.048 10 0 BAAELO Nc1nnc([C@@H]2CSCC[NH2+]2)n1N ZINC000126782559 344099896 /nfs/dbraw/zinc/09/98/96/344099896.db2.gz BBCMWLZVZKKUKL-BYPYZUCNSA-N 1 2 200.271 -1.048 10 0 BAAELO Cn1nnc(NC(=O)[C@@H]2CSC[NH2+]2)n1 ZINC000127188212 345162246 /nfs/dbraw/zinc/16/22/46/345162246.db2.gz TYNSSAUNEHHJIG-BYPYZUCNSA-N 1 2 214.254 -1.189 10 0 BAAELO Cn1nnc(NC(=O)[C@H]2CSC[NH2+]2)n1 ZINC000127188454 398212586 /nfs/dbraw/zinc/21/25/86/398212586.db2.gz TYNSSAUNEHHJIG-SCSAIBSYSA-N 1 2 214.254 -1.189 10 0 BAAELO C[C@@H](C(N)=S)[N@H+]1CCOC[C@@H]1C(N)=O ZINC000129671561 355855876 /nfs/dbraw/zinc/85/58/76/355855876.db2.gz WLEAYTQEQGRXFM-NTSWFWBYSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@@H](C(N)=S)[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000129671561 355855874 /nfs/dbraw/zinc/85/58/74/355855874.db2.gz WLEAYTQEQGRXFM-NTSWFWBYSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@H](C(N)=S)[N@H+]1CCOC[C@@H]1C(N)=O ZINC000129671760 355855773 /nfs/dbraw/zinc/85/57/73/355855773.db2.gz WLEAYTQEQGRXFM-PHDIDXHHSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@H](C(N)=S)[N@@H+]1CCOC[C@@H]1C(N)=O ZINC000129671760 355855771 /nfs/dbraw/zinc/85/57/71/355855771.db2.gz WLEAYTQEQGRXFM-PHDIDXHHSA-N 1 2 217.294 -1.153 10 0 BAAELO O=C1C[NH2+]CN1C[C@H]1CCCS1(=O)=O ZINC000130169726 358569788 /nfs/dbraw/zinc/56/97/88/358569788.db2.gz ZDVBETOANMWONR-SSDOTTSWSA-N 1 2 218.278 -1.047 10 0 BAAELO O=C1C[NH2+]CN1C[C@@H]1CCCS1(=O)=O ZINC000130169943 358569625 /nfs/dbraw/zinc/56/96/25/358569625.db2.gz ZDVBETOANMWONR-ZETCQYMHSA-N 1 2 218.278 -1.047 10 0 BAAELO NC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC000133232343 384229590 /nfs/dbraw/zinc/22/95/90/384229590.db2.gz NDWIZFNVFWPFCZ-SSDOTTSWSA-N 1 2 214.269 -1.006 10 0 BAAELO NC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1C[NH3+] ZINC000133232521 384230072 /nfs/dbraw/zinc/23/00/72/384230072.db2.gz NDWIZFNVFWPFCZ-ZETCQYMHSA-N 1 2 214.269 -1.006 10 0 BAAELO O=C(CNC(=O)[C@@H]1COCC[NH2+]1)N1CCCC1 ZINC000135247689 182121519 /nfs/dbraw/zinc/12/15/19/182121519.db2.gz SHNFUDIEMBTOEQ-VIFPVBQESA-N 1 2 241.291 -1.287 10 0 BAAELO CCN(CC)C(=O)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000135265689 592000484 /nfs/dbraw/zinc/00/04/84/592000484.db2.gz ODGDKKMABPEBBF-VIFPVBQESA-N 1 2 243.307 -1.041 10 0 BAAELO CCN(CC)C(=O)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000135265709 592000647 /nfs/dbraw/zinc/00/06/47/592000647.db2.gz ODGDKKMABPEBBF-SECBINFHSA-N 1 2 243.307 -1.041 10 0 BAAELO [NH3+][C@@H]1NCN([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)C(=O)N1 ZINC000141189924 384850593 /nfs/dbraw/zinc/85/05/93/384850593.db2.gz IKNMBKXEUZDZOI-IECVIRLLSA-N 1 2 248.239 -3.760 10 0 BAAELO [NH3+][C@@H]1NCN([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)C(=O)N1 ZINC000141190288 384850661 /nfs/dbraw/zinc/85/06/61/384850661.db2.gz IKNMBKXEUZDZOI-VOQCIKJUSA-N 1 2 248.239 -3.760 10 0 BAAELO C[C@H]1[NH2+]CN(CCS(C)(=O)=O)C1=O ZINC000142415778 373482016 /nfs/dbraw/zinc/48/20/16/373482016.db2.gz IHWMPOVRSHOJBV-ZCFIWIBFSA-N 1 2 206.267 -1.191 10 0 BAAELO C[C@@H]1[NH2+]CN(CCS(C)(=O)=O)C1=O ZINC000142415996 373481710 /nfs/dbraw/zinc/48/17/10/373481710.db2.gz IHWMPOVRSHOJBV-LURJTMIESA-N 1 2 206.267 -1.191 10 0 BAAELO CS(=O)(=O)[C@@H]1C[NH2+]CCN1C(N)=O ZINC000142827891 374102565 /nfs/dbraw/zinc/10/25/65/374102565.db2.gz QOUHGWIOERTMML-RXMQYKEDSA-N 1 2 207.255 -1.659 10 0 BAAELO CS(=O)(=O)[C@H]1C[NH2+]CCN1C(N)=O ZINC000142828110 345876187 /nfs/dbraw/zinc/87/61/87/345876187.db2.gz QOUHGWIOERTMML-YFKPBYRVSA-N 1 2 207.255 -1.659 10 0 BAAELO CC(=O)[C@@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000148681943 343394948 /nfs/dbraw/zinc/39/49/48/343394948.db2.gz XKDZSVGCBFRUJV-ZETCQYMHSA-N 1 2 206.267 -1.191 10 0 BAAELO CC(=O)[C@H]1C[NH2+]CCN1S(C)(=O)=O ZINC000148682163 346405066 /nfs/dbraw/zinc/40/50/66/346405066.db2.gz XKDZSVGCBFRUJV-SSDOTTSWSA-N 1 2 206.267 -1.191 10 0 BAAELO CC[N@H+]1CCO[C@H](CS(N)(=O)=O)C1 ZINC000157455934 640685301 /nfs/dbraw/zinc/68/53/01/640685301.db2.gz MZAPIDUWGYMSSB-ZETCQYMHSA-N 1 2 208.283 -1.004 10 0 BAAELO CC[N@@H+]1CCO[C@H](CS(N)(=O)=O)C1 ZINC000157455934 640685297 /nfs/dbraw/zinc/68/52/97/640685297.db2.gz MZAPIDUWGYMSSB-ZETCQYMHSA-N 1 2 208.283 -1.004 10 0 BAAELO CC1(C)C[N@@H+](CC(N)=O)C[C@H](CO)O1 ZINC000158720658 344731049 /nfs/dbraw/zinc/73/10/49/344731049.db2.gz MGAGOTLSUVJJJT-SSDOTTSWSA-N 1 2 202.254 -1.057 10 0 BAAELO CC1(C)C[N@H+](CC(N)=O)C[C@H](CO)O1 ZINC000158720658 344731046 /nfs/dbraw/zinc/73/10/46/344731046.db2.gz MGAGOTLSUVJJJT-SSDOTTSWSA-N 1 2 202.254 -1.057 10 0 BAAELO CC1(C)C[N@@H+](CC(N)=O)C[C@@H](CO)O1 ZINC000158720789 344730809 /nfs/dbraw/zinc/73/08/09/344730809.db2.gz MGAGOTLSUVJJJT-ZETCQYMHSA-N 1 2 202.254 -1.057 10 0 BAAELO CC1(C)C[N@H+](CC(N)=O)C[C@@H](CO)O1 ZINC000158720789 344730807 /nfs/dbraw/zinc/73/08/07/344730807.db2.gz MGAGOTLSUVJJJT-ZETCQYMHSA-N 1 2 202.254 -1.057 10 0 BAAELO OCCOCC[N@H+]1CCOC[C@@H]1CO ZINC000159195063 488003364 /nfs/dbraw/zinc/00/33/64/488003364.db2.gz ZALHYBOIRSYTKO-VIFPVBQESA-N 1 2 205.254 -1.312 10 0 BAAELO OCCOCC[N@@H+]1CCOC[C@@H]1CO ZINC000159195063 488003360 /nfs/dbraw/zinc/00/33/60/488003360.db2.gz ZALHYBOIRSYTKO-VIFPVBQESA-N 1 2 205.254 -1.312 10 0 BAAELO CC[C@@H](C(N)=O)[N@H+]1CCOC[C@@H]1CO ZINC000159240704 488010597 /nfs/dbraw/zinc/01/05/97/488010597.db2.gz ZUMLBICQWHWGFV-YUMQZZPRSA-N 1 2 202.254 -1.057 10 0 BAAELO CC[C@@H](C(N)=O)[N@@H+]1CCOC[C@@H]1CO ZINC000159240704 488010593 /nfs/dbraw/zinc/01/05/93/488010593.db2.gz ZUMLBICQWHWGFV-YUMQZZPRSA-N 1 2 202.254 -1.057 10 0 BAAELO CC[C@H](C(N)=O)[N@H+]1CCOC[C@@H]1CO ZINC000159240821 488010583 /nfs/dbraw/zinc/01/05/83/488010583.db2.gz ZUMLBICQWHWGFV-JGVFFNPUSA-N 1 2 202.254 -1.057 10 0 BAAELO CC[C@H](C(N)=O)[N@@H+]1CCOC[C@@H]1CO ZINC000159240821 488010577 /nfs/dbraw/zinc/01/05/77/488010577.db2.gz ZUMLBICQWHWGFV-JGVFFNPUSA-N 1 2 202.254 -1.057 10 0 BAAELO CN1CC[C@H]([N@H+]2CCOC[C@@H]2CO)C1=O ZINC000159243685 488010835 /nfs/dbraw/zinc/01/08/35/488010835.db2.gz IOWWZVJFKIWANM-IUCAKERBSA-N 1 2 214.265 -1.090 10 0 BAAELO CN1CC[C@H]([N@@H+]2CCOC[C@@H]2CO)C1=O ZINC000159243685 488010829 /nfs/dbraw/zinc/01/08/29/488010829.db2.gz IOWWZVJFKIWANM-IUCAKERBSA-N 1 2 214.265 -1.090 10 0 BAAELO CN1CC[C@@H]([N@H+]2CCOC[C@@H]2CO)C1=O ZINC000159243817 488011252 /nfs/dbraw/zinc/01/12/52/488011252.db2.gz IOWWZVJFKIWANM-DTWKUNHWSA-N 1 2 214.265 -1.090 10 0 BAAELO CN1CC[C@@H]([N@@H+]2CCOC[C@@H]2CO)C1=O ZINC000159243817 488011247 /nfs/dbraw/zinc/01/12/47/488011247.db2.gz IOWWZVJFKIWANM-DTWKUNHWSA-N 1 2 214.265 -1.090 10 0 BAAELO CNC(=O)[C@H](C)[N@H+]1CCOC[C@@H]1CO ZINC000159284578 349962919 /nfs/dbraw/zinc/96/29/19/349962919.db2.gz QYJFTUWMXGDCGF-YUMQZZPRSA-N 1 2 202.254 -1.186 10 0 BAAELO CNC(=O)[C@H](C)[N@@H+]1CCOC[C@@H]1CO ZINC000159284578 349962914 /nfs/dbraw/zinc/96/29/14/349962914.db2.gz QYJFTUWMXGDCGF-YUMQZZPRSA-N 1 2 202.254 -1.186 10 0 BAAELO CNC(=O)[C@@H](C)[N@H+]1CCOC[C@@H]1CO ZINC000159284666 349963117 /nfs/dbraw/zinc/96/31/17/349963117.db2.gz QYJFTUWMXGDCGF-SFYZADRCSA-N 1 2 202.254 -1.186 10 0 BAAELO CNC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H]1CO ZINC000159284666 349963114 /nfs/dbraw/zinc/96/31/14/349963114.db2.gz QYJFTUWMXGDCGF-SFYZADRCSA-N 1 2 202.254 -1.186 10 0 BAAELO CC(C)NS(=O)(=O)N1CCOC[C@@H]1[NH3+] ZINC000160632192 346460011 /nfs/dbraw/zinc/46/00/11/346460011.db2.gz LLDHCFUVOKNSNS-SSDOTTSWSA-N 1 2 223.298 -1.154 10 0 BAAELO CC(C)NS(=O)(=O)N1CCOC[C@H]1[NH3+] ZINC000160632309 357149822 /nfs/dbraw/zinc/14/98/22/357149822.db2.gz LLDHCFUVOKNSNS-ZETCQYMHSA-N 1 2 223.298 -1.154 10 0 BAAELO C[N@H+]1CCO[C@H](CNS(N)(=O)=O)C1 ZINC000160988719 359638198 /nfs/dbraw/zinc/63/81/98/359638198.db2.gz GNVHBDJNEOFDMF-ZCFIWIBFSA-N 1 2 209.271 -1.890 10 0 BAAELO C[N@@H+]1CCO[C@H](CNS(N)(=O)=O)C1 ZINC000160988719 359638193 /nfs/dbraw/zinc/63/81/93/359638193.db2.gz GNVHBDJNEOFDMF-ZCFIWIBFSA-N 1 2 209.271 -1.890 10 0 BAAELO C[N@H+]1CCO[C@@H](CNS(N)(=O)=O)C1 ZINC000160988828 359638057 /nfs/dbraw/zinc/63/80/57/359638057.db2.gz GNVHBDJNEOFDMF-LURJTMIESA-N 1 2 209.271 -1.890 10 0 BAAELO C[N@@H+]1CCO[C@@H](CNS(N)(=O)=O)C1 ZINC000160988828 359638052 /nfs/dbraw/zinc/63/80/52/359638052.db2.gz GNVHBDJNEOFDMF-LURJTMIESA-N 1 2 209.271 -1.890 10 0 BAAELO CC[N@H+]1CCO[C@H](CNS(N)(=O)=O)C1 ZINC000161262799 363866075 /nfs/dbraw/zinc/86/60/75/363866075.db2.gz VFOZXISWYQJALZ-SSDOTTSWSA-N 1 2 223.298 -1.500 10 0 BAAELO CC[N@@H+]1CCO[C@H](CNS(N)(=O)=O)C1 ZINC000161262799 363866070 /nfs/dbraw/zinc/86/60/70/363866070.db2.gz VFOZXISWYQJALZ-SSDOTTSWSA-N 1 2 223.298 -1.500 10 0 BAAELO CC[N@H+]1CCO[C@@H](CNS(N)(=O)=O)C1 ZINC000161262923 363866045 /nfs/dbraw/zinc/86/60/45/363866045.db2.gz VFOZXISWYQJALZ-ZETCQYMHSA-N 1 2 223.298 -1.500 10 0 BAAELO CC[N@@H+]1CCO[C@@H](CNS(N)(=O)=O)C1 ZINC000161262923 363866041 /nfs/dbraw/zinc/86/60/41/363866041.db2.gz VFOZXISWYQJALZ-ZETCQYMHSA-N 1 2 223.298 -1.500 10 0 BAAELO NS(=O)(=O)N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000161838440 360628800 /nfs/dbraw/zinc/62/88/00/360628800.db2.gz JYKSODHCZJEPEW-MRVPVSSYSA-N 1 2 235.309 -1.404 10 0 BAAELO NS(=O)(=O)N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000161838585 360628770 /nfs/dbraw/zinc/62/87/70/360628770.db2.gz JYKSODHCZJEPEW-QMMMGPOBSA-N 1 2 235.309 -1.404 10 0 BAAELO [NH3+][C@H](CO)c1nc(N2CCOCC2)no1 ZINC000162219461 632558677 /nfs/dbraw/zinc/55/86/77/632558677.db2.gz YGIVVNINDJVKJO-ZCFIWIBFSA-N 1 2 214.225 -1.102 10 0 BAAELO [NH3+][C@@H](CO)c1nc(N2CCOCC2)no1 ZINC000162219582 632558653 /nfs/dbraw/zinc/55/86/53/632558653.db2.gz YGIVVNINDJVKJO-LURJTMIESA-N 1 2 214.225 -1.102 10 0 BAAELO NS(=O)(=O)N1CCn2cc[nH+]c2C1 ZINC000162448757 371685466 /nfs/dbraw/zinc/68/54/66/371685466.db2.gz KKLSWOMIHYMUBV-UHFFFAOYSA-N 1 2 202.239 -1.098 10 0 BAAELO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@H](CO)C1 ZINC000167046245 346186080 /nfs/dbraw/zinc/18/60/80/346186080.db2.gz GJFSQSUFMLYRMY-UWVGGRQHSA-N 1 2 247.291 -1.006 10 0 BAAELO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@H](CO)C1 ZINC000167046245 346186077 /nfs/dbraw/zinc/18/60/77/346186077.db2.gz GJFSQSUFMLYRMY-UWVGGRQHSA-N 1 2 247.291 -1.006 10 0 BAAELO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@H](CO)C1 ZINC000167046355 346185723 /nfs/dbraw/zinc/18/57/23/346185723.db2.gz GJFSQSUFMLYRMY-ZJUUUORDSA-N 1 2 247.291 -1.006 10 0 BAAELO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@H](CO)C1 ZINC000167046355 346185721 /nfs/dbraw/zinc/18/57/21/346185721.db2.gz GJFSQSUFMLYRMY-ZJUUUORDSA-N 1 2 247.291 -1.006 10 0 BAAELO [NH3+][C@@H]1NCN([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 ZINC000167231937 346218901 /nfs/dbraw/zinc/21/89/01/346218901.db2.gz IKNMBKXEUZDZOI-NYMZXIIRSA-N 1 2 248.239 -3.760 10 0 BAAELO CCOC(=O)[C@@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000167525001 346261679 /nfs/dbraw/zinc/26/16/79/346261679.db2.gz NRDGMDHLANBZKS-LURJTMIESA-N 1 2 237.281 -1.973 10 0 BAAELO CCOC(=O)[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000167525104 346261704 /nfs/dbraw/zinc/26/17/04/346261704.db2.gz NRDGMDHLANBZKS-ZCFIWIBFSA-N 1 2 237.281 -1.973 10 0 BAAELO NC(=O)[C@@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000167525489 346261608 /nfs/dbraw/zinc/26/16/08/346261608.db2.gz RLZODUUECZBRHX-BYPYZUCNSA-N 1 2 208.243 -3.051 10 0 BAAELO NC(=O)[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000167525600 346261634 /nfs/dbraw/zinc/26/16/34/346261634.db2.gz RLZODUUECZBRHX-SCSAIBSYSA-N 1 2 208.243 -3.051 10 0 BAAELO CCNS(=O)(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000172452297 535490172 /nfs/dbraw/zinc/49/01/72/535490172.db2.gz ZIPUTNNLHNAYJX-MRVPVSSYSA-N 1 2 237.325 -1.239 10 0 BAAELO CCNS(=O)(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000172452297 535490167 /nfs/dbraw/zinc/49/01/67/535490167.db2.gz ZIPUTNNLHNAYJX-MRVPVSSYSA-N 1 2 237.325 -1.239 10 0 BAAELO CCNS(=O)(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000172452302 535489810 /nfs/dbraw/zinc/48/98/10/535489810.db2.gz ZIPUTNNLHNAYJX-QMMMGPOBSA-N 1 2 237.325 -1.239 10 0 BAAELO CCNS(=O)(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000172452302 535489803 /nfs/dbraw/zinc/48/98/03/535489803.db2.gz ZIPUTNNLHNAYJX-QMMMGPOBSA-N 1 2 237.325 -1.239 10 0 BAAELO C[C@@H](O)C[N@H+]1CCN(S(N)(=O)=O)C[C@H]1C ZINC000173235280 385549724 /nfs/dbraw/zinc/54/97/24/385549724.db2.gz PHCVMIXPGHBVNO-HTQZYQBOSA-N 1 2 237.325 -1.423 10 0 BAAELO C[C@@H](O)C[N@@H+]1CCN(S(N)(=O)=O)C[C@H]1C ZINC000173235280 385549722 /nfs/dbraw/zinc/54/97/22/385549722.db2.gz PHCVMIXPGHBVNO-HTQZYQBOSA-N 1 2 237.325 -1.423 10 0 BAAELO C[C@@H](O)C[N@H+]1CCN(S(N)(=O)=O)C[C@@H]1C ZINC000173235293 385549629 /nfs/dbraw/zinc/54/96/29/385549629.db2.gz PHCVMIXPGHBVNO-JGVFFNPUSA-N 1 2 237.325 -1.423 10 0 BAAELO C[C@@H](O)C[N@@H+]1CCN(S(N)(=O)=O)C[C@@H]1C ZINC000173235293 385549626 /nfs/dbraw/zinc/54/96/26/385549626.db2.gz PHCVMIXPGHBVNO-JGVFFNPUSA-N 1 2 237.325 -1.423 10 0 BAAELO C[C@@H]1CN(S(N)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC000176993325 134295229 /nfs/dbraw/zinc/29/52/29/134295229.db2.gz VNTSBZGKOZEIAK-BDAKNGLRSA-N 1 2 249.336 -1.158 10 0 BAAELO C[C@H]1CN(S(N)(=O)=O)C[C@@H]1[NH+]1CCOCC1 ZINC000176993339 134295453 /nfs/dbraw/zinc/29/54/53/134295453.db2.gz VNTSBZGKOZEIAK-IUCAKERBSA-N 1 2 249.336 -1.158 10 0 BAAELO CCOC(=O)C[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000179184258 134318077 /nfs/dbraw/zinc/31/80/77/134318077.db2.gz OEPHFBOMOJKLSP-HTQZYQBOSA-N 1 2 203.238 -1.023 10 0 BAAELO CCOC(=O)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000179184258 134318076 /nfs/dbraw/zinc/31/80/76/134318076.db2.gz OEPHFBOMOJKLSP-HTQZYQBOSA-N 1 2 203.238 -1.023 10 0 BAAELO CCOC(=O)C[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179184272 134318173 /nfs/dbraw/zinc/31/81/73/134318173.db2.gz OEPHFBOMOJKLSP-SFYZADRCSA-N 1 2 203.238 -1.023 10 0 BAAELO CCOC(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000179184272 134318172 /nfs/dbraw/zinc/31/81/72/134318172.db2.gz OEPHFBOMOJKLSP-SFYZADRCSA-N 1 2 203.238 -1.023 10 0 BAAELO COCC(=O)NC1C[NH+](C[C@H](O)COC)C1 ZINC000185088244 134373092 /nfs/dbraw/zinc/37/30/92/134373092.db2.gz ZZCDXGVXYJLZBG-VIFPVBQESA-N 1 2 232.280 -1.560 10 0 BAAELO COCC(=O)NC1C[NH+](C[C@@H](O)COC)C1 ZINC000185091851 136275163 /nfs/dbraw/zinc/27/51/63/136275163.db2.gz ZZCDXGVXYJLZBG-SECBINFHSA-N 1 2 232.280 -1.560 10 0 BAAELO C[C@@H]1C(=O)NCCC[N@@H+]1CCNS(C)(=O)=O ZINC000189287656 385140742 /nfs/dbraw/zinc/14/07/42/385140742.db2.gz WVTDMGZLYIQOIK-MRVPVSSYSA-N 1 2 249.336 -1.254 10 0 BAAELO C[C@@H]1C(=O)NCCC[N@H+]1CCNS(C)(=O)=O ZINC000189287656 385140738 /nfs/dbraw/zinc/14/07/38/385140738.db2.gz WVTDMGZLYIQOIK-MRVPVSSYSA-N 1 2 249.336 -1.254 10 0 BAAELO CNC(=O)NC(=O)C[N@H+]1CCCNC(=O)[C@H]1C ZINC000189322272 357630796 /nfs/dbraw/zinc/63/07/96/357630796.db2.gz RLWCRALKFIIMOJ-SSDOTTSWSA-N 1 2 242.279 -1.348 10 0 BAAELO CNC(=O)NC(=O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189322272 357630794 /nfs/dbraw/zinc/63/07/94/357630794.db2.gz RLWCRALKFIIMOJ-SSDOTTSWSA-N 1 2 242.279 -1.348 10 0 BAAELO CCOC[C@H](O)C[NH+]1CC(NC(=O)COC)C1 ZINC000193835631 367217916 /nfs/dbraw/zinc/21/79/16/367217916.db2.gz CWEHGYOKFQFILE-SNVBAGLBSA-N 1 2 246.307 -1.169 10 0 BAAELO CCOC[C@@H](O)C[NH+]1CC(NC(=O)COC)C1 ZINC000193835646 367218206 /nfs/dbraw/zinc/21/82/06/367218206.db2.gz CWEHGYOKFQFILE-JTQLQIEISA-N 1 2 246.307 -1.169 10 0 BAAELO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000194621631 136221204 /nfs/dbraw/zinc/22/12/04/136221204.db2.gz DMFUDGMODJEHIN-SNVBAGLBSA-N 1 2 243.307 -1.089 10 0 BAAELO CC(=O)N(C)CC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000194621631 136221203 /nfs/dbraw/zinc/22/12/03/136221203.db2.gz DMFUDGMODJEHIN-SNVBAGLBSA-N 1 2 243.307 -1.089 10 0 BAAELO CC(=O)N(C)CC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000194621644 387888620 /nfs/dbraw/zinc/88/86/20/387888620.db2.gz DMFUDGMODJEHIN-JTQLQIEISA-N 1 2 243.307 -1.089 10 0 BAAELO CC(=O)N(C)CC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000194621644 387888617 /nfs/dbraw/zinc/88/86/17/387888617.db2.gz DMFUDGMODJEHIN-JTQLQIEISA-N 1 2 243.307 -1.089 10 0 BAAELO C[C@@H]1CN(C[C@@](C)([NH3+])C(N)=O)CC[N@@H+]1C ZINC000216619510 371779289 /nfs/dbraw/zinc/77/92/89/371779289.db2.gz KWNUVDILDRVGSA-PSASIEDQSA-N 1 2 214.313 -1.175 10 0 BAAELO CCN(C)C(=O)CNC(=O)[C@@H]1COCC[NH2+]1 ZINC000219862417 134292466 /nfs/dbraw/zinc/29/24/66/134292466.db2.gz QPEKEJREBRSSMZ-QMMMGPOBSA-N 1 2 229.280 -1.431 10 0 BAAELO CCN(C)C(=O)CNC(=O)[C@H]1COCC[NH2+]1 ZINC000219862467 134292320 /nfs/dbraw/zinc/29/23/20/134292320.db2.gz QPEKEJREBRSSMZ-MRVPVSSYSA-N 1 2 229.280 -1.431 10 0 BAAELO C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000224373135 536435417 /nfs/dbraw/zinc/43/54/17/536435417.db2.gz ONXWHBAAEBOIKK-IUCAKERBSA-N 1 2 241.291 -1.431 10 0 BAAELO C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000224373135 536435413 /nfs/dbraw/zinc/43/54/13/536435413.db2.gz ONXWHBAAEBOIKK-IUCAKERBSA-N 1 2 241.291 -1.431 10 0 BAAELO C[N@H+]1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000224373187 134346536 /nfs/dbraw/zinc/34/65/36/134346536.db2.gz ONXWHBAAEBOIKK-DTWKUNHWSA-N 1 2 241.291 -1.431 10 0 BAAELO C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CNC(=O)C2)C1 ZINC000224373187 134346535 /nfs/dbraw/zinc/34/65/35/134346535.db2.gz ONXWHBAAEBOIKK-DTWKUNHWSA-N 1 2 241.291 -1.431 10 0 BAAELO C[C@@H](C(N)=O)[N@H+]1CCO[C@@H](C(N)=S)C1 ZINC000226172642 350405351 /nfs/dbraw/zinc/40/53/51/350405351.db2.gz ADHNAZVGKCOPBQ-NTSWFWBYSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@@H](C(N)=O)[N@@H+]1CCO[C@@H](C(N)=S)C1 ZINC000226172642 350405350 /nfs/dbraw/zinc/40/53/50/350405350.db2.gz ADHNAZVGKCOPBQ-NTSWFWBYSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@H](C(N)=O)[N@H+]1CCO[C@@H](C(N)=S)C1 ZINC000226172650 350405270 /nfs/dbraw/zinc/40/52/70/350405270.db2.gz ADHNAZVGKCOPBQ-PHDIDXHHSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@H](C(N)=O)[N@@H+]1CCO[C@@H](C(N)=S)C1 ZINC000226172650 350405268 /nfs/dbraw/zinc/40/52/68/350405268.db2.gz ADHNAZVGKCOPBQ-PHDIDXHHSA-N 1 2 217.294 -1.153 10 0 BAAELO CCOC(=O)C[C@@H](O)C[N@H+]1CCO[C@@H](CO)C1 ZINC000226744315 371735166 /nfs/dbraw/zinc/73/51/66/371735166.db2.gz GJFSQSUFMLYRMY-NXEZZACHSA-N 1 2 247.291 -1.006 10 0 BAAELO CCOC(=O)C[C@@H](O)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000226744315 371735160 /nfs/dbraw/zinc/73/51/60/371735160.db2.gz GJFSQSUFMLYRMY-NXEZZACHSA-N 1 2 247.291 -1.006 10 0 BAAELO CCOC(=O)C[C@H](O)C[N@H+]1CCO[C@@H](CO)C1 ZINC000226744323 371734835 /nfs/dbraw/zinc/73/48/35/371734835.db2.gz GJFSQSUFMLYRMY-VHSXEESVSA-N 1 2 247.291 -1.006 10 0 BAAELO CCOC(=O)C[C@H](O)C[N@@H+]1CCO[C@@H](CO)C1 ZINC000226744323 371734830 /nfs/dbraw/zinc/73/48/30/371734830.db2.gz GJFSQSUFMLYRMY-VHSXEESVSA-N 1 2 247.291 -1.006 10 0 BAAELO CNC(=O)[C@@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC000226839857 371750445 /nfs/dbraw/zinc/75/04/45/371750445.db2.gz XGEAGQQZQMAKJB-HTQZYQBOSA-N 1 2 202.254 -1.186 10 0 BAAELO CNC(=O)[C@@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226839857 371750438 /nfs/dbraw/zinc/75/04/38/371750438.db2.gz XGEAGQQZQMAKJB-HTQZYQBOSA-N 1 2 202.254 -1.186 10 0 BAAELO CNC(=O)[C@H](C)[N@H+]1CCO[C@@H](CO)C1 ZINC000226839865 371749843 /nfs/dbraw/zinc/74/98/43/371749843.db2.gz XGEAGQQZQMAKJB-JGVFFNPUSA-N 1 2 202.254 -1.186 10 0 BAAELO CNC(=O)[C@H](C)[N@@H+]1CCO[C@@H](CO)C1 ZINC000226839865 371749837 /nfs/dbraw/zinc/74/98/37/371749837.db2.gz XGEAGQQZQMAKJB-JGVFFNPUSA-N 1 2 202.254 -1.186 10 0 BAAELO NC(=O)C[N@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC000229008262 526885690 /nfs/dbraw/zinc/88/56/90/526885690.db2.gz DJBRQBFWSORZIE-UHFFFAOYSA-N 1 2 224.220 -2.093 10 0 BAAELO NC(=O)C[N@@H+]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC000229008262 526885688 /nfs/dbraw/zinc/88/56/88/526885688.db2.gz DJBRQBFWSORZIE-UHFFFAOYSA-N 1 2 224.220 -2.093 10 0 BAAELO CCN(C)C(=O)[C@@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000231855023 487482090 /nfs/dbraw/zinc/48/20/90/487482090.db2.gz UKKBOAHUMYDCCQ-BDAKNGLRSA-N 1 2 243.307 -1.042 10 0 BAAELO CCN(C)C(=O)[C@H](C)NC(=O)[C@@H]1COCC[NH2+]1 ZINC000231855026 487482180 /nfs/dbraw/zinc/48/21/80/487482180.db2.gz UKKBOAHUMYDCCQ-IUCAKERBSA-N 1 2 243.307 -1.042 10 0 BAAELO CCN(C)C(=O)[C@@H](C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000231855028 357627634 /nfs/dbraw/zinc/62/76/34/357627634.db2.gz UKKBOAHUMYDCCQ-RKDXNWHRSA-N 1 2 243.307 -1.042 10 0 BAAELO CCN(C)C(=O)[C@H](C)NC(=O)[C@H]1COCC[NH2+]1 ZINC000231855029 357627411 /nfs/dbraw/zinc/62/74/11/357627411.db2.gz UKKBOAHUMYDCCQ-DTWKUNHWSA-N 1 2 243.307 -1.042 10 0 BAAELO CS(=O)(=O)CC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000235014039 343718881 /nfs/dbraw/zinc/71/88/81/343718881.db2.gz PMBXQPJVNRTVNI-RNFRBKRXSA-N 1 2 209.267 -1.932 10 0 BAAELO CS(=O)(=O)CC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000235014123 344745474 /nfs/dbraw/zinc/74/54/74/344745474.db2.gz PMBXQPJVNRTVNI-BQBZGAKWSA-N 1 2 209.267 -1.932 10 0 BAAELO NC(=O)NC(=O)C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000236199613 346205937 /nfs/dbraw/zinc/20/59/37/346205937.db2.gz ZAZYOAJXQOBEET-RFZPGFLSSA-N 1 2 203.198 -2.781 10 0 BAAELO NC(=O)NC(=O)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000236199819 346206226 /nfs/dbraw/zinc/20/62/26/346206226.db2.gz ZAZYOAJXQOBEET-WHFBIAKZSA-N 1 2 203.198 -2.781 10 0 BAAELO C[C@@H]1C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000237351058 176399927 /nfs/dbraw/zinc/39/99/27/176399927.db2.gz UHGZPCIWQNYVJV-SFYZADRCSA-N 1 2 211.265 -1.057 10 0 BAAELO C[C@@H]1COCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237461171 636785238 /nfs/dbraw/zinc/78/52/38/636785238.db2.gz YLPGILBCLRYOHE-SECBINFHSA-N 1 2 241.291 -1.335 10 0 BAAELO C[C@H]1C[C@@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000237553489 177346410 /nfs/dbraw/zinc/34/64/10/177346410.db2.gz UHGZPCIWQNYVJV-YUMQZZPRSA-N 1 2 211.265 -1.057 10 0 BAAELO C[C@H]1COCCN1C(=O)CN1CC[NH2+]CC1=O ZINC000237634111 643700014 /nfs/dbraw/zinc/70/00/14/643700014.db2.gz YLPGILBCLRYOHE-VIFPVBQESA-N 1 2 241.291 -1.335 10 0 BAAELO C[C@H]1C[C@H]1NC(=O)CN1CC[NH2+]CC1=O ZINC000237649647 177383719 /nfs/dbraw/zinc/38/37/19/177383719.db2.gz UHGZPCIWQNYVJV-JGVFFNPUSA-N 1 2 211.265 -1.057 10 0 BAAELO C[C@H]1CN(S(N)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC000246595725 359149751 /nfs/dbraw/zinc/14/97/51/359149751.db2.gz VNTSBZGKOZEIAK-DTWKUNHWSA-N 1 2 249.336 -1.158 10 0 BAAELO C[C@@H]1CN(S(N)(=O)=O)C[C@H]1[NH+]1CCOCC1 ZINC000246595730 359150158 /nfs/dbraw/zinc/15/01/58/359150158.db2.gz VNTSBZGKOZEIAK-RKDXNWHRSA-N 1 2 249.336 -1.158 10 0 BAAELO C[C@H](O)C[N@H+]1CCN(S(N)(=O)=O)C[C@H]1C ZINC000247543128 388666271 /nfs/dbraw/zinc/66/62/71/388666271.db2.gz PHCVMIXPGHBVNO-SFYZADRCSA-N 1 2 237.325 -1.423 10 0 BAAELO C[C@H](O)C[N@@H+]1CCN(S(N)(=O)=O)C[C@H]1C ZINC000247543128 388666269 /nfs/dbraw/zinc/66/62/69/388666269.db2.gz PHCVMIXPGHBVNO-SFYZADRCSA-N 1 2 237.325 -1.423 10 0 BAAELO C[C@H](O)C[N@H+]1CCN(S(N)(=O)=O)C[C@@H]1C ZINC000247543131 388666436 /nfs/dbraw/zinc/66/64/36/388666436.db2.gz PHCVMIXPGHBVNO-YUMQZZPRSA-N 1 2 237.325 -1.423 10 0 BAAELO C[C@H](O)C[N@@H+]1CCN(S(N)(=O)=O)C[C@@H]1C ZINC000247543131 388666434 /nfs/dbraw/zinc/66/64/34/388666434.db2.gz PHCVMIXPGHBVNO-YUMQZZPRSA-N 1 2 237.325 -1.423 10 0 BAAELO C[C@H](C(N)=S)[N@H+]1CCOC[C@H]1C(N)=O ZINC000251082270 362837468 /nfs/dbraw/zinc/83/74/68/362837468.db2.gz WLEAYTQEQGRXFM-RITPCOANSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@H](C(N)=S)[N@@H+]1CCOC[C@H]1C(N)=O ZINC000251082270 362837464 /nfs/dbraw/zinc/83/74/64/362837464.db2.gz WLEAYTQEQGRXFM-RITPCOANSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@@H](C(N)=S)[N@H+]1CCOC[C@H]1C(N)=O ZINC000251082273 362837334 /nfs/dbraw/zinc/83/73/34/362837334.db2.gz WLEAYTQEQGRXFM-WDSKDSINSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@@H](C(N)=S)[N@@H+]1CCOC[C@H]1C(N)=O ZINC000251082273 362837330 /nfs/dbraw/zinc/83/73/30/362837330.db2.gz WLEAYTQEQGRXFM-WDSKDSINSA-N 1 2 217.294 -1.153 10 0 BAAELO C[C@H](C(N)=O)[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000251912990 350906367 /nfs/dbraw/zinc/90/63/67/350906367.db2.gz XIGDICKQRVOEAC-BWZBUEFSSA-N 1 2 202.254 -1.058 10 0 BAAELO C[C@H](C(N)=O)[N@@H+]1C[C@H](CO)OC[C@H]1C ZINC000251912990 350906363 /nfs/dbraw/zinc/90/63/63/350906363.db2.gz XIGDICKQRVOEAC-BWZBUEFSSA-N 1 2 202.254 -1.058 10 0 BAAELO C[C@H](C(N)=O)[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000251912992 362983124 /nfs/dbraw/zinc/98/31/24/362983124.db2.gz XIGDICKQRVOEAC-PRJMDXOYSA-N 1 2 202.254 -1.058 10 0 BAAELO C[C@H](C(N)=O)[N@@H+]1C[C@@H](CO)OC[C@H]1C ZINC000251912992 362983114 /nfs/dbraw/zinc/98/31/14/362983114.db2.gz XIGDICKQRVOEAC-PRJMDXOYSA-N 1 2 202.254 -1.058 10 0 BAAELO CN1CC[C@H]([N@H+]2CCOC[C@H]2CO)C1=O ZINC000253065715 490270606 /nfs/dbraw/zinc/27/06/06/490270606.db2.gz IOWWZVJFKIWANM-BDAKNGLRSA-N 1 2 214.265 -1.090 10 0 BAAELO CN1CC[C@H]([N@@H+]2CCOC[C@H]2CO)C1=O ZINC000253065715 490270603 /nfs/dbraw/zinc/27/06/03/490270603.db2.gz IOWWZVJFKIWANM-BDAKNGLRSA-N 1 2 214.265 -1.090 10 0 BAAELO CN1CC[C@@H]([N@H+]2CCOC[C@H]2CO)C1=O ZINC000253065716 490270680 /nfs/dbraw/zinc/27/06/80/490270680.db2.gz IOWWZVJFKIWANM-RKDXNWHRSA-N 1 2 214.265 -1.090 10 0 BAAELO CN1CC[C@@H]([N@@H+]2CCOC[C@H]2CO)C1=O ZINC000253065716 490270678 /nfs/dbraw/zinc/27/06/78/490270678.db2.gz IOWWZVJFKIWANM-RKDXNWHRSA-N 1 2 214.265 -1.090 10 0 BAAELO CNC(=O)[C@@H](C)[N@H+]1CCOC[C@H]1CO ZINC000253076081 368470850 /nfs/dbraw/zinc/47/08/50/368470850.db2.gz QYJFTUWMXGDCGF-HTQZYQBOSA-N 1 2 202.254 -1.186 10 0 BAAELO CNC(=O)[C@@H](C)[N@@H+]1CCOC[C@H]1CO ZINC000253076081 368470842 /nfs/dbraw/zinc/47/08/42/368470842.db2.gz QYJFTUWMXGDCGF-HTQZYQBOSA-N 1 2 202.254 -1.186 10 0 BAAELO CNC(=O)[C@H](C)[N@H+]1CCOC[C@H]1CO ZINC000253076082 368471753 /nfs/dbraw/zinc/47/17/53/368471753.db2.gz QYJFTUWMXGDCGF-JGVFFNPUSA-N 1 2 202.254 -1.186 10 0 BAAELO CNC(=O)[C@H](C)[N@@H+]1CCOC[C@H]1CO ZINC000253076082 368471751 /nfs/dbraw/zinc/47/17/51/368471751.db2.gz QYJFTUWMXGDCGF-JGVFFNPUSA-N 1 2 202.254 -1.186 10 0 BAAELO CC[C@H](C(N)=O)[N@H+]1CCOC[C@H]1CO ZINC000253085623 487848340 /nfs/dbraw/zinc/84/83/40/487848340.db2.gz ZUMLBICQWHWGFV-HTQZYQBOSA-N 1 2 202.254 -1.057 10 0 BAAELO CC[C@H](C(N)=O)[N@@H+]1CCOC[C@H]1CO ZINC000253085623 487848336 /nfs/dbraw/zinc/84/83/36/487848336.db2.gz ZUMLBICQWHWGFV-HTQZYQBOSA-N 1 2 202.254 -1.057 10 0 BAAELO CC[C@@H](C(N)=O)[N@H+]1CCOC[C@H]1CO ZINC000253085624 487848293 /nfs/dbraw/zinc/84/82/93/487848293.db2.gz ZUMLBICQWHWGFV-SFYZADRCSA-N 1 2 202.254 -1.057 10 0 BAAELO CC[C@@H](C(N)=O)[N@@H+]1CCOC[C@H]1CO ZINC000253085624 487848290 /nfs/dbraw/zinc/84/82/90/487848290.db2.gz ZUMLBICQWHWGFV-SFYZADRCSA-N 1 2 202.254 -1.057 10 0 BAAELO OC[C@H](O)[C@H](O)[C@H](O)[C@@H]1[NH2+][C@@H](O)CS1 ZINC000255988621 183144758 /nfs/dbraw/zinc/14/47/58/183144758.db2.gz MTQJDFBYTNFYRA-AZEWMMITSA-N 1 2 225.266 -2.958 10 0 BAAELO OC[C@H](O)[C@H](O)[C@H](O)[C@@H]1[NH2+][C@H](O)CS1 ZINC000255988622 183145299 /nfs/dbraw/zinc/14/52/99/183145299.db2.gz MTQJDFBYTNFYRA-MLKOFDEISA-N 1 2 225.266 -2.958 10 0 BAAELO OC[C@H](O)[C@H](O)[C@H](O)[C@H]1[NH2+][C@H](O)CS1 ZINC000255988623 183145781 /nfs/dbraw/zinc/14/57/81/183145781.db2.gz MTQJDFBYTNFYRA-REQIZBSHSA-N 1 2 225.266 -2.958 10 0 BAAELO OC[C@H](O)[C@H](O)[C@H](O)[C@H]1[NH2+][C@@H](O)CS1 ZINC000255988624 183145223 /nfs/dbraw/zinc/14/52/23/183145223.db2.gz MTQJDFBYTNFYRA-RRNSMKEASA-N 1 2 225.266 -2.958 10 0 BAAELO O=C(N[C@H]1CSC[C@@H]1O)C1=[NH+]CCCN1 ZINC000256029978 383899472 /nfs/dbraw/zinc/89/94/72/383899472.db2.gz GXEJVDCUMIJYPF-BQBZGAKWSA-N 1 2 229.305 -1.029 10 0 BAAELO O=C(N[C@H]1CSC[C@H]1O)C1=[NH+]CCCN1 ZINC000256029979 383901188 /nfs/dbraw/zinc/90/11/88/383901188.db2.gz GXEJVDCUMIJYPF-NKWVEPMBSA-N 1 2 229.305 -1.029 10 0 BAAELO O=C(N[C@@H]1CSC[C@H]1O)C1=[NH+]CCCN1 ZINC000256029980 383900911 /nfs/dbraw/zinc/90/09/11/383900911.db2.gz GXEJVDCUMIJYPF-RNFRBKRXSA-N 1 2 229.305 -1.029 10 0 BAAELO O=C(N[C@@H]1CSC[C@@H]1O)C1=[NH+]CCCN1 ZINC000256029981 383900490 /nfs/dbraw/zinc/90/04/90/383900490.db2.gz GXEJVDCUMIJYPF-RQJHMYQMSA-N 1 2 229.305 -1.029 10 0 BAAELO C[C@H](NC(=O)[C@H]1CC(F)(F)C[NH2+]1)C(N)=O ZINC000261539797 135178603 /nfs/dbraw/zinc/17/86/03/135178603.db2.gz DEFAPZZPNFMHJF-CRCLSJGQSA-N 1 2 221.207 -1.026 10 0 BAAELO C[C@H](NC(=O)[C@@H]1CC(F)(F)C[NH2+]1)C(N)=O ZINC000261539798 135178530 /nfs/dbraw/zinc/17/85/30/135178530.db2.gz DEFAPZZPNFMHJF-WHFBIAKZSA-N 1 2 221.207 -1.026 10 0 BAAELO NC(=O)CCNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261546002 135238699 /nfs/dbraw/zinc/23/86/99/135238699.db2.gz KMSPZUZQLNXOBV-RXMQYKEDSA-N 1 2 221.207 -1.025 10 0 BAAELO NC(=O)CCNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261546003 135238441 /nfs/dbraw/zinc/23/84/41/135238441.db2.gz KMSPZUZQLNXOBV-YFKPBYRVSA-N 1 2 221.207 -1.025 10 0 BAAELO CNC(=O)CNC(=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000261557235 135197750 /nfs/dbraw/zinc/19/77/50/135197750.db2.gz XCKTYXPGOAKEFP-RXMQYKEDSA-N 1 2 221.207 -1.154 10 0 BAAELO CNC(=O)CNC(=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000261557237 135198182 /nfs/dbraw/zinc/19/81/82/135198182.db2.gz XCKTYXPGOAKEFP-YFKPBYRVSA-N 1 2 221.207 -1.154 10 0 BAAELO [NH3+]CC(F)(F)C(=O)N1C[C@@H](O)[C@@H](O)C1 ZINC000306209585 359301839 /nfs/dbraw/zinc/30/18/39/359301839.db2.gz FYFPEPNUAZYEAV-SYDPRGILSA-N 1 2 210.180 -1.856 10 0 BAAELO C[N@H+]1CCO[C@@H](CN2C[C@H](O)CO2)C1 ZINC000306268600 359490070 /nfs/dbraw/zinc/49/00/70/359490070.db2.gz KKXZZGAUODOQNZ-DTWKUNHWSA-N 1 2 202.254 -1.075 10 0 BAAELO C[N@@H+]1CCO[C@@H](CN2C[C@H](O)CO2)C1 ZINC000306268600 359490067 /nfs/dbraw/zinc/49/00/67/359490067.db2.gz KKXZZGAUODOQNZ-DTWKUNHWSA-N 1 2 202.254 -1.075 10 0 BAAELO C[N@H+]1CCO[C@H](CN2C[C@H](O)CO2)C1 ZINC000306268601 359490004 /nfs/dbraw/zinc/49/00/04/359490004.db2.gz KKXZZGAUODOQNZ-IUCAKERBSA-N 1 2 202.254 -1.075 10 0 BAAELO C[N@@H+]1CCO[C@H](CN2C[C@H](O)CO2)C1 ZINC000306268601 359490001 /nfs/dbraw/zinc/49/00/01/359490001.db2.gz KKXZZGAUODOQNZ-IUCAKERBSA-N 1 2 202.254 -1.075 10 0 BAAELO O=S1(=O)CC([NH2+][C@H]2COC[C@@H]2O)C1 ZINC000306334789 359635985 /nfs/dbraw/zinc/63/59/85/359635985.db2.gz GCWTXHHIPYPKHY-BQBZGAKWSA-N 1 2 207.251 -1.867 10 0 BAAELO O=S1(=O)CC([NH2+][C@H]2COC[C@H]2O)C1 ZINC000306334792 359635927 /nfs/dbraw/zinc/63/59/27/359635927.db2.gz GCWTXHHIPYPKHY-NKWVEPMBSA-N 1 2 207.251 -1.867 10 0 BAAELO O=S1(=O)CC([NH2+][C@@H]2COC[C@H]2O)C1 ZINC000306334793 359635865 /nfs/dbraw/zinc/63/58/65/359635865.db2.gz GCWTXHHIPYPKHY-RNFRBKRXSA-N 1 2 207.251 -1.867 10 0 BAAELO O=S1(=O)CC([NH2+][C@@H]2COC[C@@H]2O)C1 ZINC000306334795 359636129 /nfs/dbraw/zinc/63/61/29/359636129.db2.gz GCWTXHHIPYPKHY-RQJHMYQMSA-N 1 2 207.251 -1.867 10 0 BAAELO Cn1nccc1S(=O)(=O)N1CC[NH2+]C1 ZINC000306575474 360464836 /nfs/dbraw/zinc/46/48/36/360464836.db2.gz JFEUAJVBEACSIM-UHFFFAOYSA-N 1 2 216.266 -1.029 10 0 BAAELO O=S(=O)(c1cc[nH]n1)N1CC[NH2+]C1 ZINC000306579422 360472688 /nfs/dbraw/zinc/47/26/88/360472688.db2.gz NINHDUNPCZUNPN-UHFFFAOYSA-N 1 2 202.239 -1.039 10 0 BAAELO Cn1cc(S(=O)(=O)N2CC[NH2+]C2)cn1 ZINC000306581427 360479033 /nfs/dbraw/zinc/47/90/33/360479033.db2.gz PTRLGCLLFNUUEA-UHFFFAOYSA-N 1 2 216.266 -1.029 10 0 BAAELO NS(=O)(=O)N1CCc2[nH+]c[nH]c2C1 ZINC000306656244 361862913 /nfs/dbraw/zinc/86/29/13/361862913.db2.gz LKAMSBGUPDWWMM-UHFFFAOYSA-N 1 2 202.239 -1.029 10 0 BAAELO [NH3+]CC(F)(F)C(=O)N1C[C@@H](O)[C@H](O)C1 ZINC000306722682 350890232 /nfs/dbraw/zinc/89/02/32/350890232.db2.gz FYFPEPNUAZYEAV-RFZPGFLSSA-N 1 2 210.180 -1.856 10 0 BAAELO [NH3+]CC(F)(F)C(=O)N1C[C@H](O)[C@@H](O)C1 ZINC000306722694 350890260 /nfs/dbraw/zinc/89/02/60/350890260.db2.gz FYFPEPNUAZYEAV-WHFBIAKZSA-N 1 2 210.180 -1.856 10 0 BAAELO CC(C)[S@@](=O)N1CC[NH2+]C[C@H]1C(N)=O ZINC000306809210 351062110 /nfs/dbraw/zinc/06/21/10/351062110.db2.gz RFAQKHWDKFGBPO-JKYUHCHBSA-N 1 2 219.310 -1.182 10 0 BAAELO CC(C)[S@@](=O)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000306809211 351062374 /nfs/dbraw/zinc/06/23/74/351062374.db2.gz RFAQKHWDKFGBPO-NXSYQRQQSA-N 1 2 219.310 -1.182 10 0 BAAELO CC(C)[S@](=O)N1CC[NH2+]C[C@@H]1C(N)=O ZINC000306809212 351062346 /nfs/dbraw/zinc/06/23/46/351062346.db2.gz RFAQKHWDKFGBPO-UOWDBTKRSA-N 1 2 219.310 -1.182 10 0 BAAELO CC(C)[S@](=O)N1CC[NH2+]C[C@H]1C(N)=O ZINC000306809213 351061863 /nfs/dbraw/zinc/06/18/63/351061863.db2.gz RFAQKHWDKFGBPO-WJWGPLDTSA-N 1 2 219.310 -1.182 10 0 BAAELO CNC(=O)[C@H]1C[NH2+]CCN1[S@@](C)=O ZINC000306810794 351078730 /nfs/dbraw/zinc/07/87/30/351078730.db2.gz VGWDVHSNJDRREP-CAAJLBCPSA-N 1 2 205.283 -1.700 10 0 BAAELO CNC(=O)[C@@H]1C[NH2+]CCN1[S@@](C)=O ZINC000306810795 351078536 /nfs/dbraw/zinc/07/85/36/351078536.db2.gz VGWDVHSNJDRREP-DAZKTRTLSA-N 1 2 205.283 -1.700 10 0 BAAELO CNC(=O)[C@@H]1C[NH2+]CCN1[S@](C)=O ZINC000306810796 351078485 /nfs/dbraw/zinc/07/84/85/351078485.db2.gz VGWDVHSNJDRREP-IYQDAUBNSA-N 1 2 205.283 -1.700 10 0 BAAELO CNC(=O)[C@H]1C[NH2+]CCN1[S@](C)=O ZINC000306810797 351078836 /nfs/dbraw/zinc/07/88/36/351078836.db2.gz VGWDVHSNJDRREP-UANNBLPKSA-N 1 2 205.283 -1.700 10 0 BAAELO C[N@H+]1CCO[C@H](CN2C[C@@H](O)CO2)C1 ZINC000306821436 351127076 /nfs/dbraw/zinc/12/70/76/351127076.db2.gz KKXZZGAUODOQNZ-BDAKNGLRSA-N 1 2 202.254 -1.075 10 0 BAAELO C[N@@H+]1CCO[C@H](CN2C[C@@H](O)CO2)C1 ZINC000306821436 351127074 /nfs/dbraw/zinc/12/70/74/351127074.db2.gz KKXZZGAUODOQNZ-BDAKNGLRSA-N 1 2 202.254 -1.075 10 0 BAAELO C[N@H+]1CCO[C@@H](CN2C[C@@H](O)CO2)C1 ZINC000306821437 351127111 /nfs/dbraw/zinc/12/71/11/351127111.db2.gz KKXZZGAUODOQNZ-RKDXNWHRSA-N 1 2 202.254 -1.075 10 0 BAAELO C[N@@H+]1CCO[C@@H](CN2C[C@@H](O)CO2)C1 ZINC000306821437 351127108 /nfs/dbraw/zinc/12/71/08/351127108.db2.gz KKXZZGAUODOQNZ-RKDXNWHRSA-N 1 2 202.254 -1.075 10 0 BAAELO O=S(=O)(c1c[nH]cn1)N1CC[NH2+]C1 ZINC000306868691 397926611 /nfs/dbraw/zinc/92/66/11/397926611.db2.gz QURJZLGPXJZOBG-UHFFFAOYSA-N 1 2 202.239 -1.039 10 0 BAAELO NC(=O)[C@@H]1CN(C(=O)C(F)(F)F)CC[NH2+]1 ZINC000306878340 351271991 /nfs/dbraw/zinc/27/19/91/351271991.db2.gz IMRWBZHYXWKQQI-BYPYZUCNSA-N 1 2 225.170 -1.166 10 0 BAAELO NC(=O)[C@H]1CN(C(=O)C(F)(F)F)CC[NH2+]1 ZINC000306878344 351271746 /nfs/dbraw/zinc/27/17/46/351271746.db2.gz IMRWBZHYXWKQQI-SCSAIBSYSA-N 1 2 225.170 -1.166 10 0 BAAELO NC(=S)NC[C@@H]1CN2CC[NH+]1CC2 ZINC000306903507 351317731 /nfs/dbraw/zinc/31/77/31/351317731.db2.gz SGQAKDFEGOVBLA-SSDOTTSWSA-N 1 2 200.311 -1.181 10 0 BAAELO NC(=S)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000306903507 351317729 /nfs/dbraw/zinc/31/77/29/351317729.db2.gz SGQAKDFEGOVBLA-SSDOTTSWSA-N 1 2 200.311 -1.181 10 0 BAAELO NC(=S)NC[C@H]1CN2CC[NH+]1CC2 ZINC000306903508 351317798 /nfs/dbraw/zinc/31/77/98/351317798.db2.gz SGQAKDFEGOVBLA-ZETCQYMHSA-N 1 2 200.311 -1.181 10 0 BAAELO NC(=S)NC[C@H]1C[NH+]2CCN1CC2 ZINC000306903508 351317796 /nfs/dbraw/zinc/31/77/96/351317796.db2.gz SGQAKDFEGOVBLA-ZETCQYMHSA-N 1 2 200.311 -1.181 10 0 BAAELO O=S(=O)(c1ncc[nH]1)N1CC[NH2+]C1 ZINC000307402856 352578273 /nfs/dbraw/zinc/57/82/73/352578273.db2.gz AXTPHTDFPNBTMW-UHFFFAOYSA-N 1 2 202.239 -1.039 10 0 BAAELO CO[C@@H]1COCC[C@]12[NH2+]CCNC2=O ZINC000307483241 352620261 /nfs/dbraw/zinc/62/02/61/352620261.db2.gz HEALAGBLKIHVOD-APPZFPTMSA-N 1 2 200.238 -1.120 10 0 BAAELO CO[C@H]1COCC[C@]12[NH2+]CCNC2=O ZINC000307483245 352619927 /nfs/dbraw/zinc/61/99/27/352619927.db2.gz HEALAGBLKIHVOD-CBAPKCEASA-N 1 2 200.238 -1.120 10 0 BAAELO CO[C@H]1COCC[C@@]12[NH2+]CCNC2=O ZINC000307483251 352619918 /nfs/dbraw/zinc/61/99/18/352619918.db2.gz HEALAGBLKIHVOD-IONNQARKSA-N 1 2 200.238 -1.120 10 0 BAAELO CO[C@@H]1COCC[C@@]12[NH2+]CCNC2=O ZINC000307483260 352619921 /nfs/dbraw/zinc/61/99/21/352619921.db2.gz HEALAGBLKIHVOD-VXNVDRBHSA-N 1 2 200.238 -1.120 10 0 BAAELO C[C@H]1[NH2+]CN(C2CS(=O)(=O)C2)C1=O ZINC000307484586 352619895 /nfs/dbraw/zinc/61/98/95/352619895.db2.gz TVGRXKDTRNRBRG-RXMQYKEDSA-N 1 2 204.251 -1.439 10 0 BAAELO C[C@@H]1[NH2+]CN(C2CS(=O)(=O)C2)C1=O ZINC000307484587 352620017 /nfs/dbraw/zinc/62/00/17/352620017.db2.gz TVGRXKDTRNRBRG-YFKPBYRVSA-N 1 2 204.251 -1.439 10 0 BAAELO O=C(Nc1nn[nH]n1)[C@@H]1CSC[NH2+]1 ZINC000307755724 353130121 /nfs/dbraw/zinc/13/01/21/353130121.db2.gz FGVTWLPAJQWJRE-VKHMYHEASA-N 1 2 200.227 -1.199 10 0 BAAELO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@@H](CO)C1 ZINC000336644069 386245323 /nfs/dbraw/zinc/24/53/23/386245323.db2.gz FOKVHPOZBIRFEK-BDAKNGLRSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@@H]1[N@H+]1CCO[C@@H](CO)C1 ZINC000336644069 386245320 /nfs/dbraw/zinc/24/53/20/386245320.db2.gz FOKVHPOZBIRFEK-BDAKNGLRSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@H]1[N@@H+]1CCO[C@H](CO)C1 ZINC000336644072 386245284 /nfs/dbraw/zinc/24/52/84/386245284.db2.gz FOKVHPOZBIRFEK-DTWKUNHWSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@H]1[N@H+]1CCO[C@H](CO)C1 ZINC000336644072 386245282 /nfs/dbraw/zinc/24/52/82/386245282.db2.gz FOKVHPOZBIRFEK-DTWKUNHWSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@@H]1[N@@H+]1CCO[C@H](CO)C1 ZINC000336644074 386245330 /nfs/dbraw/zinc/24/53/30/386245330.db2.gz FOKVHPOZBIRFEK-IUCAKERBSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@@H]1[N@H+]1CCO[C@H](CO)C1 ZINC000336644074 386245327 /nfs/dbraw/zinc/24/53/27/386245327.db2.gz FOKVHPOZBIRFEK-IUCAKERBSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@H]1[N@@H+]1CCO[C@@H](CO)C1 ZINC000336644076 386244714 /nfs/dbraw/zinc/24/47/14/386244714.db2.gz FOKVHPOZBIRFEK-RKDXNWHRSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@H]1[N@H+]1CCO[C@@H](CO)C1 ZINC000336644076 386244711 /nfs/dbraw/zinc/24/47/11/386244711.db2.gz FOKVHPOZBIRFEK-RKDXNWHRSA-N 1 2 214.265 -1.042 10 0 BAAELO C[C@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000359092079 384924724 /nfs/dbraw/zinc/92/47/24/384924724.db2.gz DPAOJJIWCPFPFW-BDAKNGLRSA-N 1 2 231.296 -1.003 10 0 BAAELO C[C@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000359092079 384924716 /nfs/dbraw/zinc/92/47/16/384924716.db2.gz DPAOJJIWCPFPFW-BDAKNGLRSA-N 1 2 231.296 -1.003 10 0 BAAELO C[C@@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000359092081 384923923 /nfs/dbraw/zinc/92/39/23/384923923.db2.gz DPAOJJIWCPFPFW-DTWKUNHWSA-N 1 2 231.296 -1.003 10 0 BAAELO C[C@@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000359092081 384923915 /nfs/dbraw/zinc/92/39/15/384923915.db2.gz DPAOJJIWCPFPFW-DTWKUNHWSA-N 1 2 231.296 -1.003 10 0 BAAELO C[C@@H](CO)NC(=O)NC[C@H]1C[N@@H+](C)CCO1 ZINC000359092084 384922882 /nfs/dbraw/zinc/92/28/82/384922882.db2.gz DPAOJJIWCPFPFW-IUCAKERBSA-N 1 2 231.296 -1.003 10 0 BAAELO C[C@@H](CO)NC(=O)NC[C@H]1C[N@H+](C)CCO1 ZINC000359092084 384922878 /nfs/dbraw/zinc/92/28/78/384922878.db2.gz DPAOJJIWCPFPFW-IUCAKERBSA-N 1 2 231.296 -1.003 10 0 BAAELO C[C@H](CO)NC(=O)NC[C@@H]1C[N@@H+](C)CCO1 ZINC000359092087 384923327 /nfs/dbraw/zinc/92/33/27/384923327.db2.gz DPAOJJIWCPFPFW-RKDXNWHRSA-N 1 2 231.296 -1.003 10 0 BAAELO C[C@H](CO)NC(=O)NC[C@@H]1C[N@H+](C)CCO1 ZINC000359092087 384923319 /nfs/dbraw/zinc/92/33/19/384923319.db2.gz DPAOJJIWCPFPFW-RKDXNWHRSA-N 1 2 231.296 -1.003 10 0 BAAELO CNC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000364623173 173286882 /nfs/dbraw/zinc/28/68/82/173286882.db2.gz NPOLAJAPGQJHFU-BQBZGAKWSA-N 1 2 233.243 -1.153 10 0 BAAELO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000364623173 173286881 /nfs/dbraw/zinc/28/68/81/173286881.db2.gz NPOLAJAPGQJHFU-BQBZGAKWSA-N 1 2 233.243 -1.153 10 0 BAAELO CNC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000364623174 173287319 /nfs/dbraw/zinc/28/73/19/173287319.db2.gz NPOLAJAPGQJHFU-NKWVEPMBSA-N 1 2 233.243 -1.153 10 0 BAAELO CNC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000364623174 173287318 /nfs/dbraw/zinc/28/73/18/173287318.db2.gz NPOLAJAPGQJHFU-NKWVEPMBSA-N 1 2 233.243 -1.153 10 0 BAAELO CNC(=O)NC(=O)C[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000364623175 173287266 /nfs/dbraw/zinc/28/72/66/173287266.db2.gz NPOLAJAPGQJHFU-RNFRBKRXSA-N 1 2 233.243 -1.153 10 0 BAAELO CNC(=O)NC(=O)C[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000364623175 173287265 /nfs/dbraw/zinc/28/72/65/173287265.db2.gz NPOLAJAPGQJHFU-RNFRBKRXSA-N 1 2 233.243 -1.153 10 0 BAAELO CNC(=O)NC(=O)C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000364623176 173287316 /nfs/dbraw/zinc/28/73/16/173287316.db2.gz NPOLAJAPGQJHFU-RQJHMYQMSA-N 1 2 233.243 -1.153 10 0 BAAELO CNC(=O)NC(=O)C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000364623176 173287315 /nfs/dbraw/zinc/28/73/15/173287315.db2.gz NPOLAJAPGQJHFU-RQJHMYQMSA-N 1 2 233.243 -1.153 10 0 BAAELO CS(=O)(=O)NCC[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000364623736 385482658 /nfs/dbraw/zinc/48/26/58/385482658.db2.gz PEVKSZUYUNBYAR-HTQZYQBOSA-N 1 2 240.300 -1.060 10 0 BAAELO CS(=O)(=O)NCC[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000364623736 385482655 /nfs/dbraw/zinc/48/26/55/385482655.db2.gz PEVKSZUYUNBYAR-HTQZYQBOSA-N 1 2 240.300 -1.060 10 0 BAAELO CS(=O)(=O)NCC[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000364623738 385482703 /nfs/dbraw/zinc/48/27/03/385482703.db2.gz PEVKSZUYUNBYAR-JGVFFNPUSA-N 1 2 240.300 -1.060 10 0 BAAELO CS(=O)(=O)NCC[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000364623738 385482697 /nfs/dbraw/zinc/48/26/97/385482697.db2.gz PEVKSZUYUNBYAR-JGVFFNPUSA-N 1 2 240.300 -1.060 10 0 BAAELO CS(=O)(=O)NCC[N@H+]1C[C@H](F)C[C@H]1CO ZINC000364623740 385482467 /nfs/dbraw/zinc/48/24/67/385482467.db2.gz PEVKSZUYUNBYAR-SFYZADRCSA-N 1 2 240.300 -1.060 10 0 BAAELO CS(=O)(=O)NCC[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000364623740 385482463 /nfs/dbraw/zinc/48/24/63/385482463.db2.gz PEVKSZUYUNBYAR-SFYZADRCSA-N 1 2 240.300 -1.060 10 0 BAAELO CS(=O)(=O)NCC[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000364623741 398052329 /nfs/dbraw/zinc/05/23/29/398052329.db2.gz PEVKSZUYUNBYAR-YUMQZZPRSA-N 1 2 240.300 -1.060 10 0 BAAELO CS(=O)(=O)NCC[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000364623741 398052325 /nfs/dbraw/zinc/05/23/25/398052325.db2.gz PEVKSZUYUNBYAR-YUMQZZPRSA-N 1 2 240.300 -1.060 10 0 BAAELO CCOC(=O)C[N@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367493157 170219494 /nfs/dbraw/zinc/21/94/94/170219494.db2.gz OECJIDHNMIINGJ-JTQLQIEISA-N 1 2 230.264 -1.138 10 0 BAAELO CCOC(=O)C[N@@H+]1CCC[C@@](O)(C(N)=O)C1 ZINC000367493157 170219492 /nfs/dbraw/zinc/21/94/92/170219492.db2.gz OECJIDHNMIINGJ-JTQLQIEISA-N 1 2 230.264 -1.138 10 0 BAAELO CCOC(=O)C[N@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367493158 170220593 /nfs/dbraw/zinc/22/05/93/170220593.db2.gz OECJIDHNMIINGJ-SNVBAGLBSA-N 1 2 230.264 -1.138 10 0 BAAELO CCOC(=O)C[N@@H+]1CCC[C@](O)(C(N)=O)C1 ZINC000367493158 170220592 /nfs/dbraw/zinc/22/05/92/170220592.db2.gz OECJIDHNMIINGJ-SNVBAGLBSA-N 1 2 230.264 -1.138 10 0 BAAELO CCCC[N@H+]1C[C@](O)(F)[C@H](O)[C@H](O)[C@H]1CO ZINC000380625611 344426184 /nfs/dbraw/zinc/42/61/84/344426184.db2.gz CJUDNACIZVHBMJ-ZYUZMQFOSA-N 1 2 237.271 -1.157 10 0 BAAELO CCCC[N@@H+]1C[C@](O)(F)[C@H](O)[C@H](O)[C@H]1CO ZINC000380625611 344426181 /nfs/dbraw/zinc/42/61/81/344426181.db2.gz CJUDNACIZVHBMJ-ZYUZMQFOSA-N 1 2 237.271 -1.157 10 0 BAAELO Cn1[nH]cnc1=NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000381977203 367475409 /nfs/dbraw/zinc/47/54/09/367475409.db2.gz DGBZUOMSEZKLRO-NTSWFWBYSA-N 1 2 213.216 -1.125 10 0 BAAELO NC(=O)NC(=O)C[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000444767172 387925512 /nfs/dbraw/zinc/92/55/12/387925512.db2.gz REJCDRDMMAAALB-NTSWFWBYSA-N 1 2 219.216 -1.414 10 0 BAAELO NC(=O)NC(=O)C[N@@H+]1C[C@@H](F)C[C@@H]1CO ZINC000444767172 387925509 /nfs/dbraw/zinc/92/55/09/387925509.db2.gz REJCDRDMMAAALB-NTSWFWBYSA-N 1 2 219.216 -1.414 10 0 BAAELO NC(=O)NC(=O)C[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000444767173 387924444 /nfs/dbraw/zinc/92/44/44/387924444.db2.gz REJCDRDMMAAALB-PHDIDXHHSA-N 1 2 219.216 -1.414 10 0 BAAELO NC(=O)NC(=O)C[N@@H+]1C[C@H](F)C[C@@H]1CO ZINC000444767173 387924440 /nfs/dbraw/zinc/92/44/40/387924440.db2.gz REJCDRDMMAAALB-PHDIDXHHSA-N 1 2 219.216 -1.414 10 0 BAAELO NC(=O)NC(=O)C[N@H+]1C[C@H](F)C[C@H]1CO ZINC000444767174 387923808 /nfs/dbraw/zinc/92/38/08/387923808.db2.gz REJCDRDMMAAALB-RITPCOANSA-N 1 2 219.216 -1.414 10 0 BAAELO NC(=O)NC(=O)C[N@@H+]1C[C@H](F)C[C@H]1CO ZINC000444767174 387923805 /nfs/dbraw/zinc/92/38/05/387923805.db2.gz REJCDRDMMAAALB-RITPCOANSA-N 1 2 219.216 -1.414 10 0 BAAELO O=C1NCC[C@H]([NH2+][C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)N1 ZINC000504727537 226350109 /nfs/dbraw/zinc/35/01/09/226350109.db2.gz JQNWSBGGMNERPV-FMDGEEDCSA-N 1 2 247.251 -2.956 10 0 BAAELO O=C1NCC[C@H]([NH2+][C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)N1 ZINC000504727538 226350333 /nfs/dbraw/zinc/35/03/33/226350333.db2.gz JQNWSBGGMNERPV-JAJWTYFOSA-N 1 2 247.251 -2.956 10 0 BAAELO O=C1NCC[C@H]([NH2+][C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)N1 ZINC000504727539 226350220 /nfs/dbraw/zinc/35/02/20/226350220.db2.gz JQNWSBGGMNERPV-QQGCVABSSA-N 1 2 247.251 -2.956 10 0 BAAELO O=C1NCC[C@H]([NH2+][C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)N1 ZINC000504727540 226350203 /nfs/dbraw/zinc/35/02/03/226350203.db2.gz JQNWSBGGMNERPV-UIAUGNHASA-N 1 2 247.251 -2.956 10 0 BAAELO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N=c2nc[nH]n2C)O1 ZINC000527550096 387616791 /nfs/dbraw/zinc/61/67/91/387616791.db2.gz RBIXFXSOYNMFTD-HTQZYQBOSA-N 1 2 239.279 -1.105 10 0 BAAELO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N=c2nc[nH]n2C)O1 ZINC000527550096 387616786 /nfs/dbraw/zinc/61/67/86/387616786.db2.gz RBIXFXSOYNMFTD-HTQZYQBOSA-N 1 2 239.279 -1.105 10 0 BAAELO O=C(NCCn1ncnn1)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000567165257 326127380 /nfs/dbraw/zinc/12/73/80/326127380.db2.gz WNJGFIWYQRQMSY-LURJTMIESA-N 1 2 246.221 -1.214 10 0 BAAELO O=C(NCCn1ncnn1)[C@H]1CC(F)(F)C[NH2+]1 ZINC000567165258 326127259 /nfs/dbraw/zinc/12/72/59/326127259.db2.gz WNJGFIWYQRQMSY-ZCFIWIBFSA-N 1 2 246.221 -1.214 10 0 BAAELO O=S1(=O)C=C[C@H]([NH2+][C@H]2CNOC2)C1 ZINC000575454637 387026130 /nfs/dbraw/zinc/02/61/30/387026130.db2.gz WMNZFONZUJLKED-BQBZGAKWSA-N 1 2 204.251 -1.210 10 0 BAAELO O=S1(=O)C=C[C@H]([NH2+][C@@H]2CNOC2)C1 ZINC000575454659 387025649 /nfs/dbraw/zinc/02/56/49/387025649.db2.gz WMNZFONZUJLKED-NKWVEPMBSA-N 1 2 204.251 -1.210 10 0 BAAELO O=S1(=O)C=C[C@@H]([NH2+][C@@H]2CNOC2)C1 ZINC000575454663 387025763 /nfs/dbraw/zinc/02/57/63/387025763.db2.gz WMNZFONZUJLKED-RNFRBKRXSA-N 1 2 204.251 -1.210 10 0 BAAELO O=S1(=O)C=C[C@@H]([NH2+][C@H]2CNOC2)C1 ZINC000575454664 387025704 /nfs/dbraw/zinc/02/57/04/387025704.db2.gz WMNZFONZUJLKED-RQJHMYQMSA-N 1 2 204.251 -1.210 10 0 BAAELO C[N@H+]1CCN(S(N)(=O)=O)[C@H](CO)C1 ZINC000575458442 387025458 /nfs/dbraw/zinc/02/54/58/387025458.db2.gz TZRSKJZZYATTJP-LURJTMIESA-N 1 2 209.271 -2.202 10 0 BAAELO C[N@@H+]1CCN(S(N)(=O)=O)[C@H](CO)C1 ZINC000575458442 387025455 /nfs/dbraw/zinc/02/54/55/387025455.db2.gz TZRSKJZZYATTJP-LURJTMIESA-N 1 2 209.271 -2.202 10 0 BAAELO C[N@H+]1CCN(S(N)(=O)=O)[C@@H](CO)C1 ZINC000575458445 387026238 /nfs/dbraw/zinc/02/62/38/387026238.db2.gz TZRSKJZZYATTJP-ZCFIWIBFSA-N 1 2 209.271 -2.202 10 0 BAAELO C[N@@H+]1CCN(S(N)(=O)=O)[C@@H](CO)C1 ZINC000575458445 387026236 /nfs/dbraw/zinc/02/62/36/387026236.db2.gz TZRSKJZZYATTJP-ZCFIWIBFSA-N 1 2 209.271 -2.202 10 0 BAAELO O=C1NCC[C@@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000575462834 387042468 /nfs/dbraw/zinc/04/24/68/387042468.db2.gz SXFNFUIZWOKTOR-LURJTMIESA-N 1 2 204.251 -1.739 10 0 BAAELO O=C1NCC[C@H]1[NH2+]C1CS(=O)(=O)C1 ZINC000575462845 387042035 /nfs/dbraw/zinc/04/20/35/387042035.db2.gz SXFNFUIZWOKTOR-ZCFIWIBFSA-N 1 2 204.251 -1.739 10 0 BAAELO O=C1C[NH2+]CN1CC1CS(=O)(=O)C1 ZINC000575549334 387647289 /nfs/dbraw/zinc/64/72/89/387647289.db2.gz KVFQSCACMMNGPU-UHFFFAOYSA-N 1 2 204.251 -1.580 10 0 BAAELO O[C@@H]1C[NH2+]C[C@H]1CNc1ncns1 ZINC000575577569 387038213 /nfs/dbraw/zinc/03/82/13/387038213.db2.gz ZXLMOGQMEBLXSA-NTSWFWBYSA-N 1 2 200.267 -1.048 10 0 BAAELO O[C@@H]1C[NH2+]C[C@@H]1CNc1ncns1 ZINC000575577572 387038937 /nfs/dbraw/zinc/03/89/37/387038937.db2.gz ZXLMOGQMEBLXSA-PHDIDXHHSA-N 1 2 200.267 -1.048 10 0 BAAELO O[C@H]1C[NH2+]C[C@@H]1CNc1ncns1 ZINC000575577592 386198174 /nfs/dbraw/zinc/19/81/74/386198174.db2.gz ZXLMOGQMEBLXSA-RITPCOANSA-N 1 2 200.267 -1.048 10 0 BAAELO O[C@H]1C[NH2+]C[C@H]1CNc1ncns1 ZINC000575577598 387038866 /nfs/dbraw/zinc/03/88/66/387038866.db2.gz ZXLMOGQMEBLXSA-WDSKDSINSA-N 1 2 200.267 -1.048 10 0 BAAELO [NH3+][C@@H]1NC(=O)[C@H]2[C@H](NCN2Cc2ccccc2)N1 ZINC000575625405 398034967 /nfs/dbraw/zinc/03/49/67/398034967.db2.gz IAZAFYPDCPTXSQ-FOGDFJRCSA-N 1 2 247.302 -1.294 10 0 BAAELO [NH3+][C@@H]1NC(=O)[C@@H]2[C@@H](NCN2Cc2ccccc2)N1 ZINC000575625414 398034959 /nfs/dbraw/zinc/03/49/59/398034959.db2.gz IAZAFYPDCPTXSQ-NHCYSSNCSA-N 1 2 247.302 -1.294 10 0 BAAELO [NH3+][C@@H]1NC(=O)[C@H]2[C@@H](NCN2Cc2ccccc2)N1 ZINC000575625415 398035079 /nfs/dbraw/zinc/03/50/79/398035079.db2.gz IAZAFYPDCPTXSQ-SCVCMEIPSA-N 1 2 247.302 -1.294 10 0 BAAELO [NH3+][C@@H]1NC(=O)[C@@H]2[C@H](NCN2Cc2ccccc2)N1 ZINC000575625416 398034951 /nfs/dbraw/zinc/03/49/51/398034951.db2.gz IAZAFYPDCPTXSQ-UMNHJUIQSA-N 1 2 247.302 -1.294 10 0 BAAELO O=C1NCN[C@H]2[C@H]1[NH2+]CN2[C@H]1CC[C@@H](CO)O1 ZINC000575628167 387825748 /nfs/dbraw/zinc/82/57/48/387825748.db2.gz ZFCNLCAMDGWSEI-JQCXWYLXSA-N 1 2 242.279 -2.282 10 0 BAAELO O=C1NCN[C@@H]2[C@H]1[NH2+]CN2[C@H]1CC[C@@H](CO)O1 ZINC000575628168 387826647 /nfs/dbraw/zinc/82/66/47/387826647.db2.gz ZFCNLCAMDGWSEI-KDXUFGMBSA-N 1 2 242.279 -2.282 10 0 BAAELO O=C1NCN[C@@H]2[C@@H]1[NH2+]CN2[C@H]1CC[C@@H](CO)O1 ZINC000575628169 387824680 /nfs/dbraw/zinc/82/46/80/387824680.db2.gz ZFCNLCAMDGWSEI-KZVJFYERSA-N 1 2 242.279 -2.282 10 0 BAAELO O=C1NCN[C@H]2[C@@H]1[NH2+]CN2[C@H]1CC[C@@H](CO)O1 ZINC000575628170 387826492 /nfs/dbraw/zinc/82/64/92/387826492.db2.gz ZFCNLCAMDGWSEI-UYXSQOIJSA-N 1 2 242.279 -2.282 10 0 BAAELO CN1CCO[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC000591919247 347709898 /nfs/dbraw/zinc/70/98/98/347709898.db2.gz JNSVUNZLMJAKLJ-MRVPVSSYSA-N 1 2 201.270 -1.266 10 0 BAAELO CN1CCO[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC000591919247 347709897 /nfs/dbraw/zinc/70/98/97/347709897.db2.gz JNSVUNZLMJAKLJ-MRVPVSSYSA-N 1 2 201.270 -1.266 10 0 BAAELO CN1CCO[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC000591919248 347709526 /nfs/dbraw/zinc/70/95/26/347709526.db2.gz JNSVUNZLMJAKLJ-QMMMGPOBSA-N 1 2 201.270 -1.266 10 0 BAAELO CN1CCO[C@H](C[N@H+](C)CC(N)=O)C1 ZINC000591919248 347709524 /nfs/dbraw/zinc/70/95/24/347709524.db2.gz JNSVUNZLMJAKLJ-QMMMGPOBSA-N 1 2 201.270 -1.266 10 0 BAAELO CCCC[N@H+]1C[C@@](O)(F)[C@H](O)[C@H](O)[C@H]1CO ZINC000616582601 349301580 /nfs/dbraw/zinc/30/15/80/349301580.db2.gz CJUDNACIZVHBMJ-KYXWUPHJSA-N 1 2 237.271 -1.157 10 0 BAAELO CCCC[N@@H+]1C[C@@](O)(F)[C@H](O)[C@H](O)[C@H]1CO ZINC000616582601 349301575 /nfs/dbraw/zinc/30/15/75/349301575.db2.gz CJUDNACIZVHBMJ-KYXWUPHJSA-N 1 2 237.271 -1.157 10 0 BAAELO NS(=O)(=O)[C@H]1C[N@@H+](CCO)CCCO1 ZINC000616599545 350750327 /nfs/dbraw/zinc/75/03/27/350750327.db2.gz WRTYFQLCWKBASP-ZETCQYMHSA-N 1 2 224.282 -1.684 10 0 BAAELO NS(=O)(=O)[C@H]1C[N@H+](CCO)CCCO1 ZINC000616599545 350750322 /nfs/dbraw/zinc/75/03/22/350750322.db2.gz WRTYFQLCWKBASP-ZETCQYMHSA-N 1 2 224.282 -1.684 10 0 BAAELO Nc1n[nH]cc1[C@@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616600954 411985830 /nfs/dbraw/zinc/98/58/30/411985830.db2.gz KHKRICQLTLNSFP-LURJTMIESA-N 1 2 246.296 -1.858 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1c[nH]nc1N ZINC000616604839 411383693 /nfs/dbraw/zinc/38/36/93/411383693.db2.gz PUNBGWFXODPETO-ZETCQYMHSA-N 1 2 245.308 -1.102 10 0 BAAELO NS(=O)(=O)[C@H]1C[N@@H+](CCO)CCN1 ZINC000616631807 351108499 /nfs/dbraw/zinc/10/84/99/351108499.db2.gz DSTZWBNEPGWODJ-LURJTMIESA-N 1 2 209.271 -2.502 10 0 BAAELO NS(=O)(=O)[C@H]1C[N@H+](CCO)CCN1 ZINC000616631807 351108494 /nfs/dbraw/zinc/10/84/94/351108494.db2.gz DSTZWBNEPGWODJ-LURJTMIESA-N 1 2 209.271 -2.502 10 0 BAAELO CCOC(=O)N1CC[NH2+][C@H](C(N)=O)C1 ZINC000616632874 351113844 /nfs/dbraw/zinc/11/38/44/351113844.db2.gz RNZQKPGLVNPUQG-LURJTMIESA-N 1 2 201.226 -1.098 10 0 BAAELO CCOC(=O)N1CC[NH2+][C@@H](C(N)=O)C1 ZINC000616633362 351115457 /nfs/dbraw/zinc/11/54/57/351115457.db2.gz RNZQKPGLVNPUQG-ZCFIWIBFSA-N 1 2 201.226 -1.098 10 0 BAAELO NS(=O)(=O)[C@@H]1C[N@@H+](CCO)CCN1 ZINC000616633683 351116318 /nfs/dbraw/zinc/11/63/18/351116318.db2.gz DSTZWBNEPGWODJ-ZCFIWIBFSA-N 1 2 209.271 -2.502 10 0 BAAELO NS(=O)(=O)[C@@H]1C[N@H+](CCO)CCN1 ZINC000616633683 351116317 /nfs/dbraw/zinc/11/63/17/351116317.db2.gz DSTZWBNEPGWODJ-ZCFIWIBFSA-N 1 2 209.271 -2.502 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2cnno2)C1 ZINC000616634911 351117915 /nfs/dbraw/zinc/11/79/15/351117915.db2.gz DAUQIPNNMVUEFE-YFKPBYRVSA-N 1 2 233.253 -1.781 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2ccncn2)C1 ZINC000616634917 351117876 /nfs/dbraw/zinc/11/78/76/351117876.db2.gz DFEWQORWAJQRCW-QMMMGPOBSA-N 1 2 243.292 -1.374 10 0 BAAELO NS(=O)(=O)N1CCN[C@H](c2[nH]cc[nH+]2)C1 ZINC000616634937 351118096 /nfs/dbraw/zinc/11/80/96/351118096.db2.gz FSCVOBOCZZBPIV-LURJTMIESA-N 1 2 231.281 -1.441 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2ncc[nH]2)C1 ZINC000616634937 351118094 /nfs/dbraw/zinc/11/80/94/351118094.db2.gz FSCVOBOCZZBPIV-LURJTMIESA-N 1 2 231.281 -1.441 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](OC(F)(F)F)C1 ZINC000616635007 351118026 /nfs/dbraw/zinc/11/80/26/351118026.db2.gz HUWPWJYPTFCQAH-SCSAIBSYSA-N 1 2 249.214 -1.042 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2cnoc2)C1 ZINC000616635136 351118776 /nfs/dbraw/zinc/11/87/76/351118776.db2.gz MTSHRXSGGWNFSS-ZETCQYMHSA-N 1 2 232.265 -1.176 10 0 BAAELO COC(=O)N1CC[NH2+]C[C@H]1S(N)(=O)=O ZINC000616635215 351118740 /nfs/dbraw/zinc/11/87/40/351118740.db2.gz FONVVULMLWEKRF-RXMQYKEDSA-N 1 2 223.254 -1.727 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2cnco2)C1 ZINC000616635377 351119839 /nfs/dbraw/zinc/11/98/39/351119839.db2.gz RSGPZZUAOGNSHV-LURJTMIESA-N 1 2 232.265 -1.176 10 0 BAAELO COC(=O)N1CC[NH2+]C[C@H]1c1nn[nH]n1 ZINC000616635757 351121062 /nfs/dbraw/zinc/12/10/62/351121062.db2.gz LXPSFJMDIQDXHH-YFKPBYRVSA-N 1 2 212.213 -1.088 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2cc[nH]n2)C1 ZINC000616635815 351121743 /nfs/dbraw/zinc/12/17/43/351121743.db2.gz SVECLQPKTHWNKJ-ZETCQYMHSA-N 1 2 231.281 -1.441 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2ccno2)C1 ZINC000616635820 351121762 /nfs/dbraw/zinc/12/17/62/351121762.db2.gz SZIPFUHOSIUMOX-LURJTMIESA-N 1 2 232.265 -1.176 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2cnc[nH]2)C1 ZINC000616635828 351121719 /nfs/dbraw/zinc/12/17/19/351121719.db2.gz UBDNUVQQWOZABG-ZETCQYMHSA-N 1 2 231.281 -1.441 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2ccon2)C1 ZINC000616635830 351121688 /nfs/dbraw/zinc/12/16/88/351121688.db2.gz UCQHKWKUHQWJQS-ZETCQYMHSA-N 1 2 232.265 -1.176 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2cccnn2)C1 ZINC000616635869 343528550 /nfs/dbraw/zinc/52/85/50/343528550.db2.gz WMURCZUHLVHFEF-QMMMGPOBSA-N 1 2 243.292 -1.374 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@H](c2cocn2)C1 ZINC000616635878 398209637 /nfs/dbraw/zinc/20/96/37/398209637.db2.gz XBDOJIFETIQZPW-LURJTMIESA-N 1 2 232.265 -1.176 10 0 BAAELO CC(=O)N1CC[NH2+]C[C@@H]1S(C)(=O)=O ZINC000616636002 351121298 /nfs/dbraw/zinc/12/12/98/351121298.db2.gz IKPIYZOBMOMOOB-ZETCQYMHSA-N 1 2 206.267 -1.191 10 0 BAAELO CCOC(=O)N1CC[NH2+]C[C@H]1S(N)(=O)=O ZINC000616636101 351123788 /nfs/dbraw/zinc/12/37/88/351123788.db2.gz OHVFOEHUXVTKMH-ZCFIWIBFSA-N 1 2 237.281 -1.337 10 0 BAAELO COC(=O)N1CC[NH2+]C[C@@H]1c1nn[nH]n1 ZINC000616636392 351126038 /nfs/dbraw/zinc/12/60/38/351126038.db2.gz LXPSFJMDIQDXHH-RXMQYKEDSA-N 1 2 212.213 -1.088 10 0 BAAELO CC(=O)N1CC[NH2+]C[C@H]1S(N)(=O)=O ZINC000616636901 351130717 /nfs/dbraw/zinc/13/07/17/351130717.db2.gz YBFFGRNIKJWVJO-ZCFIWIBFSA-N 1 2 207.255 -1.947 10 0 BAAELO CCOC(=O)N1CC[NH2+]C[C@@H]1S(N)(=O)=O ZINC000616637024 343528977 /nfs/dbraw/zinc/52/89/77/343528977.db2.gz OHVFOEHUXVTKMH-LURJTMIESA-N 1 2 237.281 -1.337 10 0 BAAELO CC(=O)N1CC[NH2+]C[C@@H]1S(N)(=O)=O ZINC000616637505 351132349 /nfs/dbraw/zinc/13/23/49/351132349.db2.gz YBFFGRNIKJWVJO-LURJTMIESA-N 1 2 207.255 -1.947 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1c[nH]nn1 ZINC000616637806 351134204 /nfs/dbraw/zinc/13/42/04/351134204.db2.gz CIDVRSBQWIUXGP-SSDOTTSWSA-N 1 2 231.281 -1.289 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cn[nH]n1 ZINC000616637806 351134200 /nfs/dbraw/zinc/13/42/00/351134200.db2.gz CIDVRSBQWIUXGP-SSDOTTSWSA-N 1 2 231.281 -1.289 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1nnc[nH]1 ZINC000616637901 351136910 /nfs/dbraw/zinc/13/69/10/351136910.db2.gz DABUPCNZOIMCJT-ZCFIWIBFSA-N 1 2 231.281 -1.289 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1nc[nH]n1 ZINC000616637901 351136908 /nfs/dbraw/zinc/13/69/08/351136908.db2.gz DABUPCNZOIMCJT-ZCFIWIBFSA-N 1 2 231.281 -1.289 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1c[nH]nn1 ZINC000616638028 351135693 /nfs/dbraw/zinc/13/56/93/351135693.db2.gz CIDVRSBQWIUXGP-ZETCQYMHSA-N 1 2 231.281 -1.289 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1cn[nH]n1 ZINC000616638028 351135690 /nfs/dbraw/zinc/13/56/90/351135690.db2.gz CIDVRSBQWIUXGP-ZETCQYMHSA-N 1 2 231.281 -1.289 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@@H]1S(N)(=O)=O ZINC000616638096 351139041 /nfs/dbraw/zinc/13/90/41/351139041.db2.gz GOSZHJPRGWSENU-YFKPBYRVSA-N 1 2 243.310 -2.534 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1nnc[nH]1 ZINC000616638103 351137867 /nfs/dbraw/zinc/13/78/67/351137867.db2.gz DABUPCNZOIMCJT-LURJTMIESA-N 1 2 231.281 -1.289 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1nc[nH]n1 ZINC000616638103 351137864 /nfs/dbraw/zinc/13/78/64/351137864.db2.gz DABUPCNZOIMCJT-LURJTMIESA-N 1 2 231.281 -1.289 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1S(N)(=O)=O ZINC000616638176 351138240 /nfs/dbraw/zinc/13/82/40/351138240.db2.gz GOSZHJPRGWSENU-RXMQYKEDSA-N 1 2 243.310 -2.534 10 0 BAAELO CC(=O)[C@@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616638205 351138370 /nfs/dbraw/zinc/13/83/70/351138370.db2.gz HAGNMWGNZSRXRH-LURJTMIESA-N 1 2 207.255 -1.947 10 0 BAAELO Nc1cc([C@@H]2C[NH2+]CCN2S(N)(=O)=O)[nH]n1 ZINC000616638216 411947310 /nfs/dbraw/zinc/94/73/10/411947310.db2.gz HHXLVDSCTNBYIG-LURJTMIESA-N 1 2 246.296 -1.858 10 0 BAAELO CC(=O)[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616638758 351139586 /nfs/dbraw/zinc/13/95/86/351139586.db2.gz HAGNMWGNZSRXRH-ZCFIWIBFSA-N 1 2 207.255 -1.947 10 0 BAAELO Nc1cc([C@H]2C[NH2+]CCN2S(N)(=O)=O)[nH]n1 ZINC000616638781 411948935 /nfs/dbraw/zinc/94/89/35/411948935.db2.gz HHXLVDSCTNBYIG-ZCFIWIBFSA-N 1 2 246.296 -1.858 10 0 BAAELO NS(=O)(=O)[C@@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616638811 351141923 /nfs/dbraw/zinc/14/19/23/351141923.db2.gz LNINCJHEYPSKQA-SCSAIBSYSA-N 1 2 244.298 -3.290 10 0 BAAELO Nc1n[nH]cc1[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616638895 411987780 /nfs/dbraw/zinc/98/77/80/411987780.db2.gz KHKRICQLTLNSFP-ZCFIWIBFSA-N 1 2 246.296 -1.858 10 0 BAAELO NS(=O)(=O)[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616638932 351141956 /nfs/dbraw/zinc/14/19/56/351141956.db2.gz LNINCJHEYPSKQA-BYPYZUCNSA-N 1 2 244.298 -3.290 10 0 BAAELO COC(=O)[C@H]1C[NH2+]CCN1S(N)(=O)=O ZINC000616638972 351141902 /nfs/dbraw/zinc/14/19/02/351141902.db2.gz MKIBEHXCDBBEFJ-RXMQYKEDSA-N 1 2 223.254 -2.363 10 0 BAAELO NC(=O)N1CC[NH2+]C[C@H]1S(N)(=O)=O ZINC000616639333 351143151 /nfs/dbraw/zinc/14/31/51/351143151.db2.gz SWSGBGOKFFSQAP-SCSAIBSYSA-N 1 2 208.243 -2.415 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1cc(N)n[nH]1 ZINC000616639377 411872924 /nfs/dbraw/zinc/87/29/24/411872924.db2.gz UTTTYVPZKVINLB-ZETCQYMHSA-N 1 2 245.308 -1.102 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1c[nH]nc1N ZINC000616639507 411872463 /nfs/dbraw/zinc/87/24/63/411872463.db2.gz PUNBGWFXODPETO-SSDOTTSWSA-N 1 2 245.308 -1.102 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1cnno1 ZINC000616639638 351144085 /nfs/dbraw/zinc/14/40/85/351144085.db2.gz WWNYDIARUVFNRR-LURJTMIESA-N 1 2 232.265 -1.025 10 0 BAAELO NS(=O)(=O)N1CC[NH2+]C[C@H]1c1nn[nH]n1 ZINC000616639677 351143270 /nfs/dbraw/zinc/14/32/70/351143270.db2.gz YGUJYHYTGHTEGQ-BYPYZUCNSA-N 1 2 233.257 -2.651 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1nn[nH]n1 ZINC000616639686 351143310 /nfs/dbraw/zinc/14/33/10/351143310.db2.gz YMXDHKHOMGNCPN-YFKPBYRVSA-N 1 2 232.269 -1.894 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@H]1c1conn1 ZINC000616639710 351143353 /nfs/dbraw/zinc/14/33/53/351143353.db2.gz ZEQNVAFNGDTXEC-ZETCQYMHSA-N 1 2 232.265 -1.025 10 0 BAAELO NC(=O)N1CC[NH2+]C[C@@H]1S(N)(=O)=O ZINC000616639964 351146004 /nfs/dbraw/zinc/14/60/04/351146004.db2.gz SWSGBGOKFFSQAP-BYPYZUCNSA-N 1 2 208.243 -2.415 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1cnno1 ZINC000616640155 351145354 /nfs/dbraw/zinc/14/53/54/351145354.db2.gz WWNYDIARUVFNRR-ZCFIWIBFSA-N 1 2 232.265 -1.025 10 0 BAAELO NS(=O)(=O)N1CC[NH2+]C[C@@H]1c1nn[nH]n1 ZINC000616640208 351145481 /nfs/dbraw/zinc/14/54/81/351145481.db2.gz YGUJYHYTGHTEGQ-SCSAIBSYSA-N 1 2 233.257 -2.651 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1nn[nH]n1 ZINC000616640218 351145531 /nfs/dbraw/zinc/14/55/31/351145531.db2.gz YMXDHKHOMGNCPN-RXMQYKEDSA-N 1 2 232.269 -1.894 10 0 BAAELO CS(=O)(=O)N1CC[NH2+]C[C@@H]1c1conn1 ZINC000616640346 351146235 /nfs/dbraw/zinc/14/62/35/351146235.db2.gz ZEQNVAFNGDTXEC-SSDOTTSWSA-N 1 2 232.265 -1.025 10 0 BAAELO NS(=O)(=O)N1CCOC[C@@H]1c1c[nH]c[nH+]1 ZINC000616641925 351152380 /nfs/dbraw/zinc/15/23/80/351152380.db2.gz RUHBBMSJGKWUTA-SSDOTTSWSA-N 1 2 232.265 -1.014 10 0 BAAELO NS(=O)(=O)N1CCOC[C@@H]1c1c[nH+]c[nH]1 ZINC000616641925 351152376 /nfs/dbraw/zinc/15/23/76/351152376.db2.gz RUHBBMSJGKWUTA-SSDOTTSWSA-N 1 2 232.265 -1.014 10 0 BAAELO NS(=O)(=O)N1CCOC[C@@H]1c1[nH]cc[nH+]1 ZINC000616642376 351153117 /nfs/dbraw/zinc/15/31/17/351153117.db2.gz ZKUCGAJHLWHJPS-ZCFIWIBFSA-N 1 2 232.265 -1.014 10 0 BAAELO NS(=O)(=O)N1CCOC[C@H]1c1c[nH]c[nH+]1 ZINC000616643055 351155076 /nfs/dbraw/zinc/15/50/76/351155076.db2.gz RUHBBMSJGKWUTA-ZETCQYMHSA-N 1 2 232.265 -1.014 10 0 BAAELO NS(=O)(=O)N1CCOC[C@H]1c1c[nH+]c[nH]1 ZINC000616643055 351155075 /nfs/dbraw/zinc/15/50/75/351155075.db2.gz RUHBBMSJGKWUTA-ZETCQYMHSA-N 1 2 232.265 -1.014 10 0 BAAELO NS(=O)(=O)N1CCOC[C@H]1c1[nH]cc[nH+]1 ZINC000616643252 351155832 /nfs/dbraw/zinc/15/58/32/351155832.db2.gz ZKUCGAJHLWHJPS-LURJTMIESA-N 1 2 232.265 -1.014 10 0 BAAELO NS(=O)(=O)N1CCO[C@H](c2c[nH]c[nH+]2)C1 ZINC000616643834 351158019 /nfs/dbraw/zinc/15/80/19/351158019.db2.gz BXIVGRPGMJWTFG-ZETCQYMHSA-N 1 2 232.265 -1.014 10 0 BAAELO NS(=O)(=O)N1CCO[C@H](c2[nH]cc[nH+]2)C1 ZINC000616643892 351159818 /nfs/dbraw/zinc/15/98/18/351159818.db2.gz GRPMJRVKLFWWEC-LURJTMIESA-N 1 2 232.265 -1.014 10 0 BAAELO NS(=O)(=O)N1CCO[C@H](n2cc[nH+]c2)C1 ZINC000616643939 351159969 /nfs/dbraw/zinc/15/99/69/351159969.db2.gz JUNSEPUAKNMJFN-ZETCQYMHSA-N 1 2 232.265 -1.083 10 0 BAAELO NS(=O)(=O)N1CCO[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616645208 351166967 /nfs/dbraw/zinc/16/69/67/351166967.db2.gz GRPMJRVKLFWWEC-ZCFIWIBFSA-N 1 2 232.265 -1.014 10 0 BAAELO NS(=O)(=O)N1CCO[C@@H](n2cc[nH+]c2)C1 ZINC000616645541 351168429 /nfs/dbraw/zinc/16/84/29/351168429.db2.gz JUNSEPUAKNMJFN-SSDOTTSWSA-N 1 2 232.265 -1.083 10 0 BAAELO NS(=O)(=O)[C@@H]1C[N@@H+](CCO)CCCO1 ZINC000616650315 351175021 /nfs/dbraw/zinc/17/50/21/351175021.db2.gz WRTYFQLCWKBASP-SSDOTTSWSA-N 1 2 224.282 -1.684 10 0 BAAELO NS(=O)(=O)[C@@H]1C[N@H+](CCO)CCCO1 ZINC000616650315 351175020 /nfs/dbraw/zinc/17/50/20/351175020.db2.gz WRTYFQLCWKBASP-SSDOTTSWSA-N 1 2 224.282 -1.684 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2cnno2)C1 ZINC000616650889 351180631 /nfs/dbraw/zinc/18/06/31/351180631.db2.gz DAUQIPNNMVUEFE-RXMQYKEDSA-N 1 2 233.253 -1.781 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2ccncn2)C1 ZINC000616650902 351180898 /nfs/dbraw/zinc/18/08/98/351180898.db2.gz DFEWQORWAJQRCW-MRVPVSSYSA-N 1 2 243.292 -1.374 10 0 BAAELO NS(=O)(=O)N1CCN[C@@H](c2[nH]cc[nH+]2)C1 ZINC000616650998 351180754 /nfs/dbraw/zinc/18/07/54/351180754.db2.gz FSCVOBOCZZBPIV-ZCFIWIBFSA-N 1 2 231.281 -1.441 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2ncc[nH]2)C1 ZINC000616650998 351180751 /nfs/dbraw/zinc/18/07/51/351180751.db2.gz FSCVOBOCZZBPIV-ZCFIWIBFSA-N 1 2 231.281 -1.441 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](OC(F)(F)F)C1 ZINC000616653107 351186910 /nfs/dbraw/zinc/18/69/10/351186910.db2.gz HUWPWJYPTFCQAH-BYPYZUCNSA-N 1 2 249.214 -1.042 10 0 BAAELO OCC[N@H+]1CCCO[C@@H](c2nn[nH]n2)C1 ZINC000616653356 343531990 /nfs/dbraw/zinc/53/19/90/343531990.db2.gz MTYRSUHQTRHNFP-SSDOTTSWSA-N 1 2 213.241 -1.045 10 0 BAAELO OCC[N@@H+]1CCCO[C@@H](c2nn[nH]n2)C1 ZINC000616653356 343531989 /nfs/dbraw/zinc/53/19/89/343531989.db2.gz MTYRSUHQTRHNFP-SSDOTTSWSA-N 1 2 213.241 -1.045 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2cnoc2)C1 ZINC000616654142 351195490 /nfs/dbraw/zinc/19/54/90/351195490.db2.gz MTSHRXSGGWNFSS-SSDOTTSWSA-N 1 2 232.265 -1.176 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2cnco2)C1 ZINC000616655028 351192127 /nfs/dbraw/zinc/19/21/27/351192127.db2.gz RSGPZZUAOGNSHV-ZCFIWIBFSA-N 1 2 232.265 -1.176 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2cc[nH]n2)C1 ZINC000616655058 351191888 /nfs/dbraw/zinc/19/18/88/351191888.db2.gz SVECLQPKTHWNKJ-SSDOTTSWSA-N 1 2 231.281 -1.441 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2ccno2)C1 ZINC000616655071 351191789 /nfs/dbraw/zinc/19/17/89/351191789.db2.gz SZIPFUHOSIUMOX-ZCFIWIBFSA-N 1 2 232.265 -1.176 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2cnc[nH]2)C1 ZINC000616655085 351192058 /nfs/dbraw/zinc/19/20/58/351192058.db2.gz UBDNUVQQWOZABG-SSDOTTSWSA-N 1 2 231.281 -1.441 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2ccon2)C1 ZINC000616655087 351192102 /nfs/dbraw/zinc/19/21/02/351192102.db2.gz UCQHKWKUHQWJQS-SSDOTTSWSA-N 1 2 232.265 -1.176 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2cccnn2)C1 ZINC000616655187 351192743 /nfs/dbraw/zinc/19/27/43/351192743.db2.gz WMURCZUHLVHFEF-MRVPVSSYSA-N 1 2 243.292 -1.374 10 0 BAAELO NS(=O)(=O)N1CC[NH2+][C@@H](c2cocn2)C1 ZINC000616655204 351192873 /nfs/dbraw/zinc/19/28/73/351192873.db2.gz XBDOJIFETIQZPW-ZCFIWIBFSA-N 1 2 232.265 -1.176 10 0 BAAELO CS(=O)(=O)[C@H]1COCC[N@@H+](CCO)C1 ZINC000616659453 351207500 /nfs/dbraw/zinc/20/75/00/351207500.db2.gz JXONQYSWBKHRPS-MRVPVSSYSA-N 1 2 223.294 -1.276 10 0 BAAELO CS(=O)(=O)[C@H]1COCC[N@H+](CCO)C1 ZINC000616659453 351207498 /nfs/dbraw/zinc/20/74/98/351207498.db2.gz JXONQYSWBKHRPS-MRVPVSSYSA-N 1 2 223.294 -1.276 10 0 BAAELO CS(=O)(=O)[C@@H]1COCC[N@@H+](CCO)C1 ZINC000616660037 351209169 /nfs/dbraw/zinc/20/91/69/351209169.db2.gz JXONQYSWBKHRPS-QMMMGPOBSA-N 1 2 223.294 -1.276 10 0 BAAELO CS(=O)(=O)[C@@H]1COCC[N@H+](CCO)C1 ZINC000616660037 351209165 /nfs/dbraw/zinc/20/91/65/351209165.db2.gz JXONQYSWBKHRPS-QMMMGPOBSA-N 1 2 223.294 -1.276 10 0 BAAELO NS(=O)(=O)[C@@H]1COCC[N@@H+](CCO)C1 ZINC000616661826 351210818 /nfs/dbraw/zinc/21/08/18/351210818.db2.gz ZGSKRAAKGPCRPP-ZETCQYMHSA-N 1 2 224.282 -2.032 10 0 BAAELO NS(=O)(=O)[C@@H]1COCC[N@H+](CCO)C1 ZINC000616661826 351210817 /nfs/dbraw/zinc/21/08/17/351210817.db2.gz ZGSKRAAKGPCRPP-ZETCQYMHSA-N 1 2 224.282 -2.032 10 0 BAAELO NS(=O)(=O)[C@H]1COCC[N@@H+](CCO)C1 ZINC000616662038 351217698 /nfs/dbraw/zinc/21/76/98/351217698.db2.gz ZGSKRAAKGPCRPP-SSDOTTSWSA-N 1 2 224.282 -2.032 10 0 BAAELO NS(=O)(=O)[C@H]1COCC[N@H+](CCO)C1 ZINC000616662038 351217695 /nfs/dbraw/zinc/21/76/95/351217695.db2.gz ZGSKRAAKGPCRPP-SSDOTTSWSA-N 1 2 224.282 -2.032 10 0 BAAELO NS(=O)(=O)N1CCOC[C@@H](n2cc[nH+]c2)C1 ZINC000616662437 351218202 /nfs/dbraw/zinc/21/82/02/351218202.db2.gz HXQRCCSQWPOKRL-QMMMGPOBSA-N 1 2 246.292 -1.040 10 0 BAAELO NS(=O)(=O)N1CCOC[C@H](n2cc[nH+]c2)C1 ZINC000616663204 351215428 /nfs/dbraw/zinc/21/54/28/351215428.db2.gz HXQRCCSQWPOKRL-MRVPVSSYSA-N 1 2 246.292 -1.040 10 0 BAAELO OCC[N@H+]1CCO[C@H](c2nn[nH]n2)CC1 ZINC000616665633 351223559 /nfs/dbraw/zinc/22/35/59/351223559.db2.gz PLLYYEOZLCKBSH-ZETCQYMHSA-N 1 2 213.241 -1.045 10 0 BAAELO OCC[N@@H+]1CCO[C@H](c2nn[nH]n2)CC1 ZINC000616665633 351223556 /nfs/dbraw/zinc/22/35/56/351223556.db2.gz PLLYYEOZLCKBSH-ZETCQYMHSA-N 1 2 213.241 -1.045 10 0 BAAELO OCC[N@H+]1CCO[C@@H](c2nn[nH]n2)CC1 ZINC000616666357 351226512 /nfs/dbraw/zinc/22/65/12/351226512.db2.gz PLLYYEOZLCKBSH-SSDOTTSWSA-N 1 2 213.241 -1.045 10 0 BAAELO OCC[N@@H+]1CCO[C@@H](c2nn[nH]n2)CC1 ZINC000616666357 351226510 /nfs/dbraw/zinc/22/65/10/351226510.db2.gz PLLYYEOZLCKBSH-SSDOTTSWSA-N 1 2 213.241 -1.045 10 0 BAAELO OCC[N@H+]1CCCO[C@H](c2nn[nH]n2)C1 ZINC000616680083 369111569 /nfs/dbraw/zinc/11/15/69/369111569.db2.gz MTYRSUHQTRHNFP-ZETCQYMHSA-N 1 2 213.241 -1.045 10 0 BAAELO OCC[N@@H+]1CCCO[C@H](c2nn[nH]n2)C1 ZINC000616680083 369111567 /nfs/dbraw/zinc/11/15/67/369111567.db2.gz MTYRSUHQTRHNFP-ZETCQYMHSA-N 1 2 213.241 -1.045 10 0 BAAELO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@H](C(N)=O)O1 ZINC000625735758 344061982 /nfs/dbraw/zinc/06/19/82/344061982.db2.gz MHKXIZNPCPQAEW-JGVFFNPUSA-N 1 2 229.280 -1.351 10 0 BAAELO C[C@H]1C[N@H+](CC(=O)N(C)C)C[C@H](C(N)=O)O1 ZINC000625735758 344061980 /nfs/dbraw/zinc/06/19/80/344061980.db2.gz MHKXIZNPCPQAEW-JGVFFNPUSA-N 1 2 229.280 -1.351 10 0 BAAELO C[C@H]1C[N@@H+](CC(=O)N(C)C)C[C@@H](C(N)=O)O1 ZINC000625735759 344061618 /nfs/dbraw/zinc/06/16/18/344061618.db2.gz MHKXIZNPCPQAEW-YUMQZZPRSA-N 1 2 229.280 -1.351 10 0 BAAELO C[C@H]1C[N@H+](CC(=O)N(C)C)C[C@@H](C(N)=O)O1 ZINC000625735759 344061617 /nfs/dbraw/zinc/06/16/17/344061617.db2.gz MHKXIZNPCPQAEW-YUMQZZPRSA-N 1 2 229.280 -1.351 10 0 BAAELO CCNC(=O)C[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625735893 344061767 /nfs/dbraw/zinc/06/17/67/344061767.db2.gz QWVGPXICBCCITD-JGVFFNPUSA-N 1 2 229.280 -1.303 10 0 BAAELO CCNC(=O)C[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625735893 344061765 /nfs/dbraw/zinc/06/17/65/344061765.db2.gz QWVGPXICBCCITD-JGVFFNPUSA-N 1 2 229.280 -1.303 10 0 BAAELO CCNC(=O)C[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625735894 344061676 /nfs/dbraw/zinc/06/16/76/344061676.db2.gz QWVGPXICBCCITD-YUMQZZPRSA-N 1 2 229.280 -1.303 10 0 BAAELO CCNC(=O)C[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625735894 344061674 /nfs/dbraw/zinc/06/16/74/344061674.db2.gz QWVGPXICBCCITD-YUMQZZPRSA-N 1 2 229.280 -1.303 10 0 BAAELO CC[C@H](C(N)=O)[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625738683 344053942 /nfs/dbraw/zinc/05/39/42/344053942.db2.gz UAHHIAZZRFFKRT-RNJXMRFFSA-N 1 2 229.280 -1.175 10 0 BAAELO CC[C@H](C(N)=O)[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000625738683 344053941 /nfs/dbraw/zinc/05/39/41/344053941.db2.gz UAHHIAZZRFFKRT-RNJXMRFFSA-N 1 2 229.280 -1.175 10 0 BAAELO CC[C@H](C(N)=O)[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625738686 344054256 /nfs/dbraw/zinc/05/42/56/344054256.db2.gz UAHHIAZZRFFKRT-XLPZGREQSA-N 1 2 229.280 -1.175 10 0 BAAELO CC[C@H](C(N)=O)[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000625738686 344054254 /nfs/dbraw/zinc/05/42/54/344054254.db2.gz UAHHIAZZRFFKRT-XLPZGREQSA-N 1 2 229.280 -1.175 10 0 BAAELO CN(C[C@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000631466862 372380116 /nfs/dbraw/zinc/38/01/16/372380116.db2.gz UWZCGAIYHJPICO-SSDOTTSWSA-N 1 2 223.298 -1.548 10 0 BAAELO CN(C[C@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000631466862 372380108 /nfs/dbraw/zinc/38/01/08/372380108.db2.gz UWZCGAIYHJPICO-SSDOTTSWSA-N 1 2 223.298 -1.548 10 0 BAAELO CN(C[C@@H]1C[N@@H+](C)CCO1)S(N)(=O)=O ZINC000631466869 372380005 /nfs/dbraw/zinc/38/00/05/372380005.db2.gz UWZCGAIYHJPICO-ZETCQYMHSA-N 1 2 223.298 -1.548 10 0 BAAELO CN(C[C@@H]1C[N@H+](C)CCO1)S(N)(=O)=O ZINC000631466869 372379998 /nfs/dbraw/zinc/37/99/98/372379998.db2.gz UWZCGAIYHJPICO-ZETCQYMHSA-N 1 2 223.298 -1.548 10 0 BAAELO COC[C@H](C)NC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637877187 351742558 /nfs/dbraw/zinc/74/25/58/351742558.db2.gz SASJPDAVFQWLIY-DTWKUNHWSA-N 1 2 243.307 -1.042 10 0 BAAELO COC[C@H](C)NC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637877188 351742733 /nfs/dbraw/zinc/74/27/33/351742733.db2.gz SASJPDAVFQWLIY-IUCAKERBSA-N 1 2 243.307 -1.042 10 0 BAAELO C[C@@H](O)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637911640 351785876 /nfs/dbraw/zinc/78/58/76/351785876.db2.gz XQJFSCFENHDGLQ-BDAKNGLRSA-N 1 2 243.307 -1.306 10 0 BAAELO C[C@H](C(=O)NCC[C@H](C)O)N1CC[NH2+]CC1=O ZINC000637911641 351785430 /nfs/dbraw/zinc/78/54/30/351785430.db2.gz XQJFSCFENHDGLQ-DTWKUNHWSA-N 1 2 243.307 -1.306 10 0 BAAELO C[C@H](O)CCNC(=O)[C@H](C)N1CC[NH2+]CC1=O ZINC000637911643 351785456 /nfs/dbraw/zinc/78/54/56/351785456.db2.gz XQJFSCFENHDGLQ-IUCAKERBSA-N 1 2 243.307 -1.306 10 0 BAAELO C[C@@H](O)CCNC(=O)[C@@H](C)N1CC[NH2+]CC1=O ZINC000637911644 351785502 /nfs/dbraw/zinc/78/55/02/351785502.db2.gz XQJFSCFENHDGLQ-RKDXNWHRSA-N 1 2 243.307 -1.306 10 0 BAAELO CCN1CC[C@@H](NC(=O)[C@@H]2COCC[NH2+]2)C1=O ZINC000638825531 353006565 /nfs/dbraw/zinc/00/65/65/353006565.db2.gz SMPBCIYBNZAFNH-BDAKNGLRSA-N 1 2 241.291 -1.288 10 0 BAAELO CCN1CC[C@H](NC(=O)[C@H]2COCC[NH2+]2)C1=O ZINC000638825532 353006767 /nfs/dbraw/zinc/00/67/67/353006767.db2.gz SMPBCIYBNZAFNH-DTWKUNHWSA-N 1 2 241.291 -1.288 10 0 BAAELO CCN1CC[C@H](NC(=O)[C@@H]2COCC[NH2+]2)C1=O ZINC000638825533 353006815 /nfs/dbraw/zinc/00/68/15/353006815.db2.gz SMPBCIYBNZAFNH-IUCAKERBSA-N 1 2 241.291 -1.288 10 0 BAAELO CCN1CC[C@@H](NC(=O)[C@H]2COCC[NH2+]2)C1=O ZINC000638825534 353006891 /nfs/dbraw/zinc/00/68/91/353006891.db2.gz SMPBCIYBNZAFNH-RKDXNWHRSA-N 1 2 241.291 -1.288 10 0 BAAELO O=C1NCCC[C@@H]1[N@@H+]1CCOC[C@H]1CO ZINC000661563851 411802409 /nfs/dbraw/zinc/80/24/09/411802409.db2.gz SLWQJTUFNBSQBO-BDAKNGLRSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@@H]1[N@H+]1CCOC[C@H]1CO ZINC000661563851 411802405 /nfs/dbraw/zinc/80/24/05/411802405.db2.gz SLWQJTUFNBSQBO-BDAKNGLRSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@H]1[N@@H+]1CCOC[C@@H]1CO ZINC000661563852 411802361 /nfs/dbraw/zinc/80/23/61/411802361.db2.gz SLWQJTUFNBSQBO-DTWKUNHWSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@H]1[N@H+]1CCOC[C@@H]1CO ZINC000661563852 411802357 /nfs/dbraw/zinc/80/23/57/411802357.db2.gz SLWQJTUFNBSQBO-DTWKUNHWSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@@H]1[N@@H+]1CCOC[C@@H]1CO ZINC000661563853 411802821 /nfs/dbraw/zinc/80/28/21/411802821.db2.gz SLWQJTUFNBSQBO-IUCAKERBSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@@H]1[N@H+]1CCOC[C@@H]1CO ZINC000661563853 411802818 /nfs/dbraw/zinc/80/28/18/411802818.db2.gz SLWQJTUFNBSQBO-IUCAKERBSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@H]1[N@@H+]1CCOC[C@H]1CO ZINC000661563854 411803103 /nfs/dbraw/zinc/80/31/03/411803103.db2.gz SLWQJTUFNBSQBO-RKDXNWHRSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C1NCCC[C@H]1[N@H+]1CCOC[C@H]1CO ZINC000661563854 411803099 /nfs/dbraw/zinc/80/30/99/411803099.db2.gz SLWQJTUFNBSQBO-RKDXNWHRSA-N 1 2 214.265 -1.042 10 0 BAAELO O=C(N[C@H]1CCNC1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000662587100 412232533 /nfs/dbraw/zinc/23/25/33/412232533.db2.gz VRCLCGHGKGRMHZ-NTSWFWBYSA-N 1 2 233.218 -1.012 10 0 BAAELO O=C(N[C@@H]1CCNC1=O)[C@H]1CC(F)(F)C[NH2+]1 ZINC000662587101 412232709 /nfs/dbraw/zinc/23/27/09/412232709.db2.gz VRCLCGHGKGRMHZ-PHDIDXHHSA-N 1 2 233.218 -1.012 10 0 BAAELO O=C(N[C@@H]1CCNC1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000662587102 412231878 /nfs/dbraw/zinc/23/18/78/412231878.db2.gz VRCLCGHGKGRMHZ-RITPCOANSA-N 1 2 233.218 -1.012 10 0 BAAELO O=C(N[C@H]1CCNC1=O)[C@@H]1CC(F)(F)C[NH2+]1 ZINC000662587103 412232720 /nfs/dbraw/zinc/23/27/20/412232720.db2.gz VRCLCGHGKGRMHZ-WDSKDSINSA-N 1 2 233.218 -1.012 10 0 BAAELO COC(=O)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000669381630 537996143 /nfs/dbraw/zinc/99/61/43/537996143.db2.gz PTOXZKFBUDDHCP-PSASIEDQSA-N 1 2 233.264 -1.349 10 0 BAAELO COC(=O)C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000669381631 537995638 /nfs/dbraw/zinc/99/56/38/537995638.db2.gz PTOXZKFBUDDHCP-SCZZXKLOSA-N 1 2 233.264 -1.349 10 0 BAAELO COC(=O)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000669381632 537996387 /nfs/dbraw/zinc/99/63/87/537996387.db2.gz PTOXZKFBUDDHCP-WCBMZHEXSA-N 1 2 233.264 -1.349 10 0 BAAELO COC(=O)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000669381633 537996055 /nfs/dbraw/zinc/99/60/55/537996055.db2.gz PTOXZKFBUDDHCP-WPRPVWTQSA-N 1 2 233.264 -1.349 10 0 BAAELO CCNC(=O)N1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000675056932 538479487 /nfs/dbraw/zinc/47/94/87/538479487.db2.gz RLUQUFAAZZTYEQ-SFYZADRCSA-N 1 2 247.320 -1.213 10 0 BAAELO C[NH+](C)CC(=O)NC[C@@H](O)CS(C)(=O)=O ZINC000675057253 541463133 /nfs/dbraw/zinc/46/31/33/541463133.db2.gz ZHROEIXNQUHKHT-SSDOTTSWSA-N 1 2 238.309 -1.930 10 0 BAAELO C[NH+](C)CC(=O)NC[C@H](O)CS(C)(=O)=O ZINC000675057254 541463122 /nfs/dbraw/zinc/46/31/22/541463122.db2.gz ZHROEIXNQUHKHT-ZETCQYMHSA-N 1 2 238.309 -1.930 10 0 BAAELO C[NH+](C)CC(=O)NC[C@H]1CNCCS1(=O)=O ZINC000675075232 538509105 /nfs/dbraw/zinc/50/91/05/538509105.db2.gz NCEOQEPVYHTFLZ-MRVPVSSYSA-N 1 2 249.336 -1.949 10 0 BAAELO C[NH+](C)CC(=O)NC[C@@H]1CNCCS1(=O)=O ZINC000675075237 538509177 /nfs/dbraw/zinc/50/91/77/538509177.db2.gz NCEOQEPVYHTFLZ-QMMMGPOBSA-N 1 2 249.336 -1.949 10 0 BAAELO Cc1cc(=O)[nH]c(C[NH2+]C(CO)CO)n1 ZINC000700466313 712355801 /nfs/dbraw/zinc/35/58/01/712355801.db2.gz BEVIXSIZDKJATD-UHFFFAOYSA-N 1 2 213.237 -1.067 10 0 BAAELO OC[C@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000712585253 712434310 /nfs/dbraw/zinc/43/43/10/712434310.db2.gz DTQFKCJSXJGFDH-MRVPVSSYSA-N 1 2 213.241 -1.634 10 0 BAAELO OC[C@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000712585253 712434309 /nfs/dbraw/zinc/43/43/09/712434309.db2.gz DTQFKCJSXJGFDH-MRVPVSSYSA-N 1 2 213.241 -1.634 10 0 BAAELO OC[C@@H]1C[N@@H+](CCn2cnnn2)CCO1 ZINC000712585255 712433970 /nfs/dbraw/zinc/43/39/70/712433970.db2.gz DTQFKCJSXJGFDH-QMMMGPOBSA-N 1 2 213.241 -1.634 10 0 BAAELO OC[C@@H]1C[N@H+](CCn2cnnn2)CCO1 ZINC000712585255 712433969 /nfs/dbraw/zinc/43/39/69/712433969.db2.gz DTQFKCJSXJGFDH-QMMMGPOBSA-N 1 2 213.241 -1.634 10 0 BAAELO OC[C@H]1COCC[N@H+]1CCn1cnnn1 ZINC000712587453 712434487 /nfs/dbraw/zinc/43/44/87/712434487.db2.gz SRVOORBVEDARAS-QMMMGPOBSA-N 1 2 213.241 -1.634 10 0 BAAELO OC[C@H]1COCC[N@@H+]1CCn1cnnn1 ZINC000712587453 712434485 /nfs/dbraw/zinc/43/44/85/712434485.db2.gz SRVOORBVEDARAS-QMMMGPOBSA-N 1 2 213.241 -1.634 10 0 BAAELO O=C(Nc1ccnn1C1C[NH2+]C1)c1nn[nH]n1 ZINC000725258763 538078226 /nfs/dbraw/zinc/07/82/26/538078226.db2.gz ZGQBXAGRMDDQHM-UHFFFAOYSA-N 1 2 234.223 -1.207 10 0 BAAELO COC(=O)C(=O)N=S1(=O)CC[NH2+]CC1 ZINC000725260949 566307962 /nfs/dbraw/zinc/30/79/62/566307962.db2.gz ASJCCGAYIUDMQR-UHFFFAOYSA-N 1 2 220.250 -1.243 10 0 BAAELO COC(=O)[C@](C)(O)C[N@H+]1CC[C@@H]1C(N)=O ZINC000757142701 582522962 /nfs/dbraw/zinc/52/29/62/582522962.db2.gz HMVBDCZPEUDHJE-HZGVNTEJSA-N 1 2 216.237 -1.530 10 0 BAAELO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@@H]1C(N)=O ZINC000757142701 582522960 /nfs/dbraw/zinc/52/29/60/582522960.db2.gz HMVBDCZPEUDHJE-HZGVNTEJSA-N 1 2 216.237 -1.530 10 0 BAAELO COC(=O)[C@](C)(O)C[N@H+]1CC[C@H]1C(N)=O ZINC000757142709 582523135 /nfs/dbraw/zinc/52/31/35/582523135.db2.gz HMVBDCZPEUDHJE-IMTBSYHQSA-N 1 2 216.237 -1.530 10 0 BAAELO COC(=O)[C@](C)(O)C[N@@H+]1CC[C@H]1C(N)=O ZINC000757142709 582523134 /nfs/dbraw/zinc/52/31/34/582523134.db2.gz HMVBDCZPEUDHJE-IMTBSYHQSA-N 1 2 216.237 -1.530 10 0 BAAELO COC(=O)[C@@](C)(O)C[N@H+]1CC[C@@H]1C(N)=O ZINC000757142710 582522853 /nfs/dbraw/zinc/52/28/53/582522853.db2.gz HMVBDCZPEUDHJE-MUWHJKNJSA-N 1 2 216.237 -1.530 10 0 BAAELO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@@H]1C(N)=O ZINC000757142710 582522852 /nfs/dbraw/zinc/52/28/52/582522852.db2.gz HMVBDCZPEUDHJE-MUWHJKNJSA-N 1 2 216.237 -1.530 10 0 BAAELO COC(=O)[C@@](C)(O)C[N@H+]1CC[C@H]1C(N)=O ZINC000757142711 582522819 /nfs/dbraw/zinc/52/28/19/582522819.db2.gz HMVBDCZPEUDHJE-RCOVLWMOSA-N 1 2 216.237 -1.530 10 0 BAAELO COC(=O)[C@@](C)(O)C[N@@H+]1CC[C@H]1C(N)=O ZINC000757142711 582522817 /nfs/dbraw/zinc/52/28/17/582522817.db2.gz HMVBDCZPEUDHJE-RCOVLWMOSA-N 1 2 216.237 -1.530 10 0 BAAELO NC(=O)[C@@H]1CCN1C(=O)[C@@H]1COCC[NH2+]1 ZINC000757145949 582529038 /nfs/dbraw/zinc/52/90/38/582529038.db2.gz MUICJMYMZXRYHG-BQBZGAKWSA-N 1 2 213.237 -1.939 10 0 BAAELO NC(=O)[C@H]1CCN1C(=O)[C@@H]1COCC[NH2+]1 ZINC000757145953 582528867 /nfs/dbraw/zinc/52/88/67/582528867.db2.gz MUICJMYMZXRYHG-NKWVEPMBSA-N 1 2 213.237 -1.939 10 0 BAAELO NC(=O)[C@H]1CCN1C(=O)[C@H]1COCC[NH2+]1 ZINC000757145955 582528974 /nfs/dbraw/zinc/52/89/74/582528974.db2.gz MUICJMYMZXRYHG-RNFRBKRXSA-N 1 2 213.237 -1.939 10 0 BAAELO NC(=O)[C@@H]1CCN1C(=O)[C@H]1COCC[NH2+]1 ZINC000757145964 582528922 /nfs/dbraw/zinc/52/89/22/582528922.db2.gz MUICJMYMZXRYHG-RQJHMYQMSA-N 1 2 213.237 -1.939 10 0 BAAELO COC(=O)[C@H](O)C[N@H+]1CC[C@H]1C(N)=O ZINC000757145969 582528903 /nfs/dbraw/zinc/52/89/03/582528903.db2.gz MVXFRRGRFUCUFJ-NTSWFWBYSA-N 1 2 202.210 -1.920 10 0 BAAELO COC(=O)[C@H](O)C[N@@H+]1CC[C@H]1C(N)=O ZINC000757145969 582528901 /nfs/dbraw/zinc/52/89/01/582528901.db2.gz MVXFRRGRFUCUFJ-NTSWFWBYSA-N 1 2 202.210 -1.920 10 0 BAAELO COC(=O)[C@H](O)C[N@H+]1CC[C@@H]1C(N)=O ZINC000757145975 582528938 /nfs/dbraw/zinc/52/89/38/582528938.db2.gz MVXFRRGRFUCUFJ-PHDIDXHHSA-N 1 2 202.210 -1.920 10 0 BAAELO COC(=O)[C@H](O)C[N@@H+]1CC[C@@H]1C(N)=O ZINC000757145975 582528937 /nfs/dbraw/zinc/52/89/37/582528937.db2.gz MVXFRRGRFUCUFJ-PHDIDXHHSA-N 1 2 202.210 -1.920 10 0 BAAELO COC(=O)[C@@H](O)C[N@H+]1CC[C@@H]1C(N)=O ZINC000757145983 586428358 /nfs/dbraw/zinc/42/83/58/586428358.db2.gz MVXFRRGRFUCUFJ-RITPCOANSA-N 1 2 202.210 -1.920 10 0 BAAELO COC(=O)[C@@H](O)C[N@@H+]1CC[C@@H]1C(N)=O ZINC000757145983 586428357 /nfs/dbraw/zinc/42/83/57/586428357.db2.gz MVXFRRGRFUCUFJ-RITPCOANSA-N 1 2 202.210 -1.920 10 0 BAAELO COC(=O)[C@@H](O)C[N@H+]1CC[C@H]1C(N)=O ZINC000757145995 586428145 /nfs/dbraw/zinc/42/81/45/586428145.db2.gz MVXFRRGRFUCUFJ-WDSKDSINSA-N 1 2 202.210 -1.920 10 0 BAAELO COC(=O)[C@@H](O)C[N@@H+]1CC[C@H]1C(N)=O ZINC000757145995 586428144 /nfs/dbraw/zinc/42/81/44/586428144.db2.gz MVXFRRGRFUCUFJ-WDSKDSINSA-N 1 2 202.210 -1.920 10 0 BAAELO NC(=O)[C@@H]1CCN1c1cc(N)nc(N)[nH+]1 ZINC000757152206 643342686 /nfs/dbraw/zinc/34/26/86/643342686.db2.gz ZJEIAMLGPNUOCR-BYPYZUCNSA-N 1 2 208.225 -1.295 10 0 BAAELO NC(=O)[C@@H]1CCN1c1cc(N)[nH+]c(N)n1 ZINC000757152206 643342683 /nfs/dbraw/zinc/34/26/83/643342683.db2.gz ZJEIAMLGPNUOCR-BYPYZUCNSA-N 1 2 208.225 -1.295 10 0 BAAELO NC(=O)[C@H]1CCN1c1cc(N)nc(N)[nH+]1 ZINC000757152216 643343197 /nfs/dbraw/zinc/34/31/97/643343197.db2.gz ZJEIAMLGPNUOCR-SCSAIBSYSA-N 1 2 208.225 -1.295 10 0 BAAELO NC(=O)[C@H]1CCN1c1cc(N)[nH+]c(N)n1 ZINC000757152216 643343194 /nfs/dbraw/zinc/34/31/94/643343194.db2.gz ZJEIAMLGPNUOCR-SCSAIBSYSA-N 1 2 208.225 -1.295 10 0 BAAELO NC(=O)[C@@H]1CCN1C(=O)C(F)(F)C[NH3+] ZINC000757152530 582536668 /nfs/dbraw/zinc/53/66/68/582536668.db2.gz RILUIJPPAPIOBD-BYPYZUCNSA-N 1 2 207.180 -1.333 10 0 BAAELO NC(=O)[C@H]1CCN1C(=O)C(F)(F)C[NH3+] ZINC000757152556 582536699 /nfs/dbraw/zinc/53/66/99/582536699.db2.gz RILUIJPPAPIOBD-SCSAIBSYSA-N 1 2 207.180 -1.333 10 0 BAAELO CCOC(=O)[C@@H](O)C[N@H+]1CC[C@H]1C(N)=O ZINC000757153614 582539295 /nfs/dbraw/zinc/53/92/95/582539295.db2.gz VKBTZZRWYZKBNI-BQBZGAKWSA-N 1 2 216.237 -1.530 10 0 BAAELO CCOC(=O)[C@@H](O)C[N@@H+]1CC[C@H]1C(N)=O ZINC000757153614 582539293 /nfs/dbraw/zinc/53/92/93/582539293.db2.gz VKBTZZRWYZKBNI-BQBZGAKWSA-N 1 2 216.237 -1.530 10 0 BAAELO CCOC(=O)[C@H](O)C[N@H+]1CC[C@H]1C(N)=O ZINC000757153616 582539258 /nfs/dbraw/zinc/53/92/58/582539258.db2.gz VKBTZZRWYZKBNI-NKWVEPMBSA-N 1 2 216.237 -1.530 10 0 BAAELO CCOC(=O)[C@H](O)C[N@@H+]1CC[C@H]1C(N)=O ZINC000757153616 582539257 /nfs/dbraw/zinc/53/92/57/582539257.db2.gz VKBTZZRWYZKBNI-NKWVEPMBSA-N 1 2 216.237 -1.530 10 0 BAAELO CCOC(=O)[C@H](O)C[N@H+]1CC[C@@H]1C(N)=O ZINC000757153617 582538989 /nfs/dbraw/zinc/53/89/89/582538989.db2.gz VKBTZZRWYZKBNI-RNFRBKRXSA-N 1 2 216.237 -1.530 10 0 BAAELO CCOC(=O)[C@H](O)C[N@@H+]1CC[C@@H]1C(N)=O ZINC000757153617 582538988 /nfs/dbraw/zinc/53/89/88/582538988.db2.gz VKBTZZRWYZKBNI-RNFRBKRXSA-N 1 2 216.237 -1.530 10 0 BAAELO CCOC(=O)[C@@H](O)C[N@H+]1CC[C@@H]1C(N)=O ZINC000757153619 582539162 /nfs/dbraw/zinc/53/91/62/582539162.db2.gz VKBTZZRWYZKBNI-RQJHMYQMSA-N 1 2 216.237 -1.530 10 0 BAAELO CCOC(=O)[C@@H](O)C[N@@H+]1CC[C@@H]1C(N)=O ZINC000757153619 582539161 /nfs/dbraw/zinc/53/91/61/582539161.db2.gz VKBTZZRWYZKBNI-RQJHMYQMSA-N 1 2 216.237 -1.530 10 0 BAAELO Cc1nc(N)nc(N2CC[C@@H]2C(N)=O)[nH+]1 ZINC000757161442 586431872 /nfs/dbraw/zinc/43/18/72/586431872.db2.gz SOUORNPCHPVCTG-RXMQYKEDSA-N 1 2 208.225 -1.174 10 0 BAAELO Cc1nc(N2CC[C@@H]2C(N)=O)nc(N)[nH+]1 ZINC000757161442 586431871 /nfs/dbraw/zinc/43/18/71/586431871.db2.gz SOUORNPCHPVCTG-RXMQYKEDSA-N 1 2 208.225 -1.174 10 0 BAAELO Cc1nc(N)nc(N2CC[C@H]2C(N)=O)[nH+]1 ZINC000757161444 586431505 /nfs/dbraw/zinc/43/15/05/586431505.db2.gz SOUORNPCHPVCTG-YFKPBYRVSA-N 1 2 208.225 -1.174 10 0 BAAELO Cc1nc(N2CC[C@H]2C(N)=O)nc(N)[nH+]1 ZINC000757161444 586431503 /nfs/dbraw/zinc/43/15/03/586431503.db2.gz SOUORNPCHPVCTG-YFKPBYRVSA-N 1 2 208.225 -1.174 10 0 BAAELO NC(=O)C[C@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757199063 586436860 /nfs/dbraw/zinc/43/68/60/586436860.db2.gz GWYNANPWTHCEFU-LURJTMIESA-N 1 2 241.251 -1.219 10 0 BAAELO NC(=O)C[C@@H]([NH3+])c1nc(N2CCOCC2)no1 ZINC000757199073 586436881 /nfs/dbraw/zinc/43/68/81/586436881.db2.gz GWYNANPWTHCEFU-ZCFIWIBFSA-N 1 2 241.251 -1.219 10 0 BAAELO C[C@H]1C[N@@H+](C)C[C@H](C(=O)N=c2nc[nH]n2C)O1 ZINC000896993503 583867354 /nfs/dbraw/zinc/86/73/54/583867354.db2.gz RBIXFXSOYNMFTD-JGVFFNPUSA-N 1 2 239.279 -1.105 10 0 BAAELO C[C@H]1C[N@H+](C)C[C@H](C(=O)N=c2nc[nH]n2C)O1 ZINC000896993503 583867353 /nfs/dbraw/zinc/86/73/53/583867353.db2.gz RBIXFXSOYNMFTD-JGVFFNPUSA-N 1 2 239.279 -1.105 10 0 BAAELO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N=c2nc[nH]n2C)O1 ZINC000896993504 583867468 /nfs/dbraw/zinc/86/74/68/583867468.db2.gz RBIXFXSOYNMFTD-SFYZADRCSA-N 1 2 239.279 -1.105 10 0 BAAELO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N=c2nc[nH]n2C)O1 ZINC000896993504 583867466 /nfs/dbraw/zinc/86/74/66/583867466.db2.gz RBIXFXSOYNMFTD-SFYZADRCSA-N 1 2 239.279 -1.105 10 0 BAAELO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N=c2nc[nH]n2C)O1 ZINC000896993505 583867255 /nfs/dbraw/zinc/86/72/55/583867255.db2.gz RBIXFXSOYNMFTD-YUMQZZPRSA-N 1 2 239.279 -1.105 10 0 BAAELO C[C@H]1C[N@H+](C)C[C@@H](C(=O)N=c2nc[nH]n2C)O1 ZINC000896993505 583867252 /nfs/dbraw/zinc/86/72/52/583867252.db2.gz RBIXFXSOYNMFTD-YUMQZZPRSA-N 1 2 239.279 -1.105 10 0 BAAELO C[C@H]1C[N@@H+](C)C[C@@H](C(=O)N(C)c2nn[nH]n2)O1 ZINC000912617448 640126301 /nfs/dbraw/zinc/12/63/01/640126301.db2.gz TYSWFMVGOXNKLL-BQBZGAKWSA-N 1 2 240.267 -1.118 10 0 BAAELO C[C@H]1C[N@H+](C)C[C@@H](C(=O)N(C)c2nn[nH]n2)O1 ZINC000912617448 640126296 /nfs/dbraw/zinc/12/62/96/640126296.db2.gz TYSWFMVGOXNKLL-BQBZGAKWSA-N 1 2 240.267 -1.118 10 0 BAAELO C[C@H]1C[N@@H+](C)C[C@H](C(=O)N(C)c2nn[nH]n2)O1 ZINC000912617450 640123758 /nfs/dbraw/zinc/12/37/58/640123758.db2.gz TYSWFMVGOXNKLL-NKWVEPMBSA-N 1 2 240.267 -1.118 10 0 BAAELO C[C@H]1C[N@H+](C)C[C@H](C(=O)N(C)c2nn[nH]n2)O1 ZINC000912617450 640123755 /nfs/dbraw/zinc/12/37/55/640123755.db2.gz TYSWFMVGOXNKLL-NKWVEPMBSA-N 1 2 240.267 -1.118 10 0 BAAELO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N(C)c2nn[nH]n2)O1 ZINC000912617452 640126948 /nfs/dbraw/zinc/12/69/48/640126948.db2.gz TYSWFMVGOXNKLL-RNFRBKRXSA-N 1 2 240.267 -1.118 10 0 BAAELO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N(C)c2nn[nH]n2)O1 ZINC000912617452 640126939 /nfs/dbraw/zinc/12/69/39/640126939.db2.gz TYSWFMVGOXNKLL-RNFRBKRXSA-N 1 2 240.267 -1.118 10 0 BAAELO C[C@@H]1C[N@@H+](C)C[C@@H](C(=O)N(C)c2nn[nH]n2)O1 ZINC000912617454 640125231 /nfs/dbraw/zinc/12/52/31/640125231.db2.gz TYSWFMVGOXNKLL-RQJHMYQMSA-N 1 2 240.267 -1.118 10 0 BAAELO C[C@@H]1C[N@H+](C)C[C@@H](C(=O)N(C)c2nn[nH]n2)O1 ZINC000912617454 640125223 /nfs/dbraw/zinc/12/52/23/640125223.db2.gz TYSWFMVGOXNKLL-RQJHMYQMSA-N 1 2 240.267 -1.118 10 0 BAAELO