smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OC ZINC000006004231 980280877 /nfs/dbraw/zinc/28/08/77/980280877.db2.gz IMGPTJPNIMPQCR-CHWSQXEVSA-N 1 1 249.310 1.306 40 0 BDABMO CC[N@H+]1CCC[C@H](Cc2ccc(NC)nn2)C1 ZINC000072387237 343979941 /nfs/dbraw/zinc/97/99/41/343979941.db2.gz XGLLTUGSNXOWEJ-LLVKDONJSA-N 1 1 234.347 1.793 40 0 BDABMO CC(C)[N@@H+]1CCO[C@@H](c2[nH]nc3ncccc32)C1 ZINC000257305540 187330549 /nfs/dbraw/zinc/33/05/49/187330549.db2.gz SQMINALOBJWDFV-LLVKDONJSA-N 1 1 246.314 1.740 40 0 BDABMO CC(C)[N@H+]1CCO[C@@H](c2[nH]nc3ncccc32)C1 ZINC000257305540 187330551 /nfs/dbraw/zinc/33/05/51/187330551.db2.gz SQMINALOBJWDFV-LLVKDONJSA-N 1 1 246.314 1.740 40 0 BDABMO Cc1cc(=O)cc([C@H]2CCC[N@H+](C)C2)[nH]1 ZINC000072381210 178199333 /nfs/dbraw/zinc/19/93/33/178199333.db2.gz DXCJWFDNSCCFCK-JTQLQIEISA-N 1 1 206.289 1.905 40 0 BDABMO Cc1ccc(C(=O)NCCc2cnc[nH]2)cc1 ZINC000006427510 398251685 /nfs/dbraw/zinc/25/16/85/398251685.db2.gz MFZKDTGNPGVFIH-UHFFFAOYSA-N 1 1 229.283 1.691 40 0 BDABMO CC(C)(C)[C@@H](NO)[C@@H](O)[NH+]1CCCCC1 ZINC000001704720 342710172 /nfs/dbraw/zinc/71/01/72/342710172.db2.gz UXUMECWATOLKFW-VHSXEESVSA-N 1 1 216.325 1.184 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccco1 ZINC000217671032 398322604 /nfs/dbraw/zinc/32/26/04/398322604.db2.gz ZBOTWDDBFUHQSN-DTWKUNHWSA-N 1 1 209.245 1.098 40 0 BDABMO CCCc1ncc(C[N@H+]2CC[C@@H](CO)C2)cn1 ZINC000019525727 342950992 /nfs/dbraw/zinc/95/09/92/342950992.db2.gz BXSKCKBJWTZMIM-LLVKDONJSA-N 1 1 235.331 1.243 40 0 BDABMO O=C1CC[C@]2(c3ccccc3)[NH2+]CCCCN12 ZINC000035572413 343298593 /nfs/dbraw/zinc/29/85/93/343298593.db2.gz AAGAEUXQMWSWME-AWEZNQCLSA-N 1 1 230.311 1.845 40 0 BDABMO CC(=O)N[C@H]1CCCC[C@H]1[N@@H+](CCN)C(C)C ZINC000079405692 187263477 /nfs/dbraw/zinc/26/34/77/187263477.db2.gz CIHCWDAEEWKLMH-QWHCGFSZSA-N 1 1 241.379 1.103 40 0 BDABMO CC(=O)N[C@H]1CCCC[C@H]1[N@H+](CCN)C(C)C ZINC000079405692 187263479 /nfs/dbraw/zinc/26/34/79/187263479.db2.gz CIHCWDAEEWKLMH-QWHCGFSZSA-N 1 1 241.379 1.103 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(C)cc1 ZINC000096525978 343760046 /nfs/dbraw/zinc/76/00/46/343760046.db2.gz DDMKFWWJCORITA-MNOVXSKESA-N 1 1 204.273 1.226 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000096526038 343760099 /nfs/dbraw/zinc/76/00/99/343760099.db2.gz NXIYHXGQDZAUOL-UWVGGRQHSA-N 1 1 224.691 1.571 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000078578413 187280764 /nfs/dbraw/zinc/28/07/64/187280764.db2.gz ANFLHQKSOITLTO-LLVKDONJSA-N 1 1 218.300 1.967 40 0 BDABMO Cn1ccnc1-c1cncc([C@@H]2CCC[N@H+]2C)n1 ZINC000585178858 344276165 /nfs/dbraw/zinc/27/61/65/344276165.db2.gz SLMPYXHXCIFSFW-LBPRGKRZSA-N 1 1 243.314 1.644 40 0 BDABMO CC(=O)C1=C(O)CC[N@H+](Cc2ccccc2)C1 ZINC000100129081 187290401 /nfs/dbraw/zinc/29/04/01/187290401.db2.gz BJCFFXXCSGAJQW-CYBMUJFWSA-N 1 1 231.295 1.667 40 0 BDABMO CC(=O)C1=C(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000100129081 187290404 /nfs/dbraw/zinc/29/04/04/187290404.db2.gz BJCFFXXCSGAJQW-CYBMUJFWSA-N 1 1 231.295 1.667 40 0 BDABMO Cc1cccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)c1 ZINC000082305619 179088304 /nfs/dbraw/zinc/08/83/04/179088304.db2.gz IEZHTOJVCOKYFA-AWEZNQCLSA-N 1 1 246.354 1.953 40 0 BDABMO C[C@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC000019785447 347281361 /nfs/dbraw/zinc/28/13/61/347281361.db2.gz UXGJMFPOMQLBST-LURJTMIESA-N 1 1 207.208 1.895 40 0 BDABMO Cc1[nH+]c(N)c(N)c(C)c1Br ZINC000034746613 179998999 /nfs/dbraw/zinc/99/89/99/179998999.db2.gz TZWGWIGUAUNESB-UHFFFAOYSA-N 1 1 216.082 1.625 40 0 BDABMO Cc1nc([C@@H]2CCC[NH2+]C2)cc2cncn21 ZINC000257319378 180045371 /nfs/dbraw/zinc/04/53/71/180045371.db2.gz VSDPNTPNLOWBPP-SNVBAGLBSA-N 1 1 216.288 1.505 40 0 BDABMO Cc1nn(C)cc1C[N@H+](C)Cc1ccccc1N ZINC000096523734 180373069 /nfs/dbraw/zinc/37/30/69/180373069.db2.gz LTLFSCSMAKYPDX-UHFFFAOYSA-N 1 1 244.342 1.943 40 0 BDABMO Cc1nn(C)cc1C[N@@H+](C)Cc1ccccc1N ZINC000096523734 180373071 /nfs/dbraw/zinc/37/30/71/180373071.db2.gz LTLFSCSMAKYPDX-UHFFFAOYSA-N 1 1 244.342 1.943 40 0 BDABMO O=C1CCC[C@H]2[C@@H]3CCC[N@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000005850036 351265409 /nfs/dbraw/zinc/26/54/09/351265409.db2.gz ZSBXGIUJOOQZMP-OSFYFWSMSA-N 1 1 248.370 1.872 40 0 biogenic BDABMO C([C@H]1CCCO1)[N@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000195529400 188006475 /nfs/dbraw/zinc/00/64/75/188006475.db2.gz ANHZODBVTUMFQD-FRRDWIJNSA-N 1 1 225.332 1.809 40 0 BDABMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000039199442 181282383 /nfs/dbraw/zinc/28/23/83/181282383.db2.gz SOZQAONWQPHCPN-LLVKDONJSA-N 1 1 204.273 1.136 40 0 BDABMO CC(C)c1nnc([C@H]([NH3+])c2ccccc2)[nH]1 ZINC000041058534 358730399 /nfs/dbraw/zinc/73/03/99/358730399.db2.gz HRAFWOQXOVNDHY-SNVBAGLBSA-N 1 1 216.288 1.976 40 0 BDABMO [NH3+][C@H](c1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000041058752 358730568 /nfs/dbraw/zinc/73/05/68/358730568.db2.gz FERFRUNSZLTPKH-JTQLQIEISA-N 1 1 214.272 1.730 40 0 BDABMO Cc1[nH+]c(N)ccc1[C@H]1CCCN1C=O ZINC000072218548 259529854 /nfs/dbraw/zinc/52/98/54/259529854.db2.gz SUSGJRSQDPSIIH-SNVBAGLBSA-N 1 1 205.261 1.266 40 0 BDABMO [NH3+][C@@H]1C(=O)N(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000256052232 370636134 /nfs/dbraw/zinc/63/61/34/370636134.db2.gz MMESDOYNVGBLPW-QWRGUYRKSA-N 1 1 220.247 1.199 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1cccc(N)c1 ZINC000252516218 259548300 /nfs/dbraw/zinc/54/83/00/259548300.db2.gz QOISGXDCUJFTKH-RYUDHWBXSA-N 1 1 234.299 1.087 40 0 BDABMO CCOC(=O)[C@@H]([NH3+])CSC(F)(F)F ZINC000034887206 170253753 /nfs/dbraw/zinc/25/37/53/170253753.db2.gz QHDPLYFRQAYGJP-BYPYZUCNSA-N 1 1 217.212 1.130 40 0 BDABMO O[C@@H]1CC[N@@H+]([C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200043 183201307 /nfs/dbraw/zinc/20/13/07/183201307.db2.gz YGNNPJYPCIQFKX-SOUVJXGZSA-N 1 1 247.338 1.453 40 0 BDABMO O[C@H]1C[C@@H]2CC[C@H]1[N@H+]2Cc1ccccc1 ZINC000036459633 183248037 /nfs/dbraw/zinc/24/80/37/183248037.db2.gz VRJOXKWODDCDBE-XQQFMLRXSA-N 1 1 203.285 1.784 40 0 BDABMO c1c[nH]c(C[N@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)n1 ZINC000257250033 183324818 /nfs/dbraw/zinc/32/48/18/183324818.db2.gz JKSMQFPVMXFBPS-NSHDSACASA-N 1 1 245.330 1.588 40 0 BDABMO c1c[nH]c(C[N@@H+]2CCC[C@@H](Cc3cc[nH]n3)C2)n1 ZINC000257250033 183324821 /nfs/dbraw/zinc/32/48/21/183324821.db2.gz JKSMQFPVMXFBPS-NSHDSACASA-N 1 1 245.330 1.588 40 0 BDABMO CCC[N@H+]1CC[C@@H](O)[C@@H]1Cc1cccnc1 ZINC000096200127 169206443 /nfs/dbraw/zinc/20/64/43/169206443.db2.gz WDQJPBRGXDYAPK-QWHCGFSZSA-N 1 1 220.316 1.469 40 0 BDABMO COC(=O)[C@H]1C[C@H](C)[N@H+]1C1CCCCC1 ZINC000005464839 384114992 /nfs/dbraw/zinc/11/49/92/384114992.db2.gz WDIDDUQBKWESQH-GXSJLCMTSA-N 1 1 211.305 1.955 40 0 BDABMO C[N@@H+](Cc1ccccc1)C[C@H]1CCN(CCO)C1 ZINC000079414117 384135586 /nfs/dbraw/zinc/13/55/86/384135586.db2.gz KKOKQVSWLPQLLK-OAHLLOKOSA-N 1 1 248.370 1.433 40 0 BDABMO C[N@H+](Cc1ccccc1)C[C@H]1CCN(CCO)C1 ZINC000079414117 384135592 /nfs/dbraw/zinc/13/55/92/384135592.db2.gz KKOKQVSWLPQLLK-OAHLLOKOSA-N 1 1 248.370 1.433 40 0 BDABMO CC(C)[N@@H+](CCO)C[C@@H]1CCCCN1C ZINC000079406051 384135889 /nfs/dbraw/zinc/13/58/89/384135889.db2.gz XUSMDMPSVODSDB-LBPRGKRZSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)N(CCO)C[C@@H]1CCCC[N@@H+]1C ZINC000079406051 384135892 /nfs/dbraw/zinc/13/58/92/384135892.db2.gz XUSMDMPSVODSDB-LBPRGKRZSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)N(CCO)C[C@@H]1CCCC[N@H+]1C ZINC000079406051 384135896 /nfs/dbraw/zinc/13/58/96/384135896.db2.gz XUSMDMPSVODSDB-LBPRGKRZSA-N 1 1 214.353 1.173 40 0 BDABMO CN(Cc1ccccc1)C[C@H]1CCC[N@H+]1CCO ZINC000079414106 384136161 /nfs/dbraw/zinc/13/61/61/384136161.db2.gz RSXMOGVTLJQRHR-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@@H+](Cc1ccccc1)C[C@H]1CCCN1CCO ZINC000079414106 384136163 /nfs/dbraw/zinc/13/61/63/384136163.db2.gz RSXMOGVTLJQRHR-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@H+](Cc1ccccc1)C[C@H]1CCCN1CCO ZINC000079414106 384136166 /nfs/dbraw/zinc/13/61/66/384136166.db2.gz RSXMOGVTLJQRHR-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO C[NH+](C)CCC[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000006426257 384153896 /nfs/dbraw/zinc/15/38/96/384153896.db2.gz ILVRZDGATWCZSB-CRWXNKLISA-N 1 1 220.360 1.692 40 0 BDABMO CN(C)CCC[N@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000006426257 384153900 /nfs/dbraw/zinc/15/39/00/384153900.db2.gz ILVRZDGATWCZSB-CRWXNKLISA-N 1 1 220.360 1.692 40 0 BDABMO CN(C)CCC[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@H]2C1 ZINC000006426257 384153903 /nfs/dbraw/zinc/15/39/03/384153903.db2.gz ILVRZDGATWCZSB-CRWXNKLISA-N 1 1 220.360 1.692 40 0 BDABMO Nc1nccc([C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000072350807 384210179 /nfs/dbraw/zinc/21/01/79/384210179.db2.gz BACIVSYUCIPNOF-NSHDSACASA-N 1 1 232.331 1.648 40 0 BDABMO Cn1cnnc1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000072361366 384213162 /nfs/dbraw/zinc/21/31/62/384213162.db2.gz DUQQRQIJDDEBFD-JTQLQIEISA-N 1 1 206.293 1.014 40 0 BDABMO Cn1cc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000072381902 384217112 /nfs/dbraw/zinc/21/71/12/384217112.db2.gz MGEZGWQDGGZXPE-LLVKDONJSA-N 1 1 231.303 1.133 40 0 BDABMO Cn1cc[nH+]c1C[C@@H]1CCCN1c1ncccn1 ZINC000072382337 384218542 /nfs/dbraw/zinc/21/85/42/384218542.db2.gz NPCSYMWDSKTXRP-NSHDSACASA-N 1 1 243.314 1.422 40 0 BDABMO CN(C)c1ccnc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072382320 384218831 /nfs/dbraw/zinc/21/88/31/384218831.db2.gz CEGDAQGJNRETEX-VIFPVBQESA-N 1 1 206.293 1.309 40 0 BDABMO CN(C)c1ccnc([C@@H]2CCC[N@H+]2C)n1 ZINC000072382320 384218834 /nfs/dbraw/zinc/21/88/34/384218834.db2.gz CEGDAQGJNRETEX-VIFPVBQESA-N 1 1 206.293 1.309 40 0 BDABMO CCC1=C[C@H]2C[C@@H](C(=O)OC)[C@]1([NH+](C)C)C2=O ZINC000073333009 384250063 /nfs/dbraw/zinc/25/00/63/384250063.db2.gz RPVRFXHMIMBOLH-FWDPORAESA-N 1 1 237.299 1.015 40 0 BDABMO Cc1[nH]c2ccccc2c1-c1noc(C[NH3+])n1 ZINC000082541081 384255028 /nfs/dbraw/zinc/25/50/28/384255028.db2.gz UWKBDFNRFZFGKH-UHFFFAOYSA-N 1 1 228.255 1.985 40 0 BDABMO CC(=O)N[C@H]1CC[C@H]([N@H+](CCO)C(C)C)CC1 ZINC000100178643 384281315 /nfs/dbraw/zinc/28/13/15/384281315.db2.gz TXUMEMUVUAAHNB-BETUJISGSA-N 1 1 242.363 1.136 40 0 BDABMO CN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2Cc1ccoc1 ZINC000096081176 384435968 /nfs/dbraw/zinc/43/59/68/384435968.db2.gz IEYZUUNCLCAFFI-WDEREUQCSA-N 1 1 220.272 1.085 40 0 BDABMO CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1ccccc1 ZINC000096186194 384440401 /nfs/dbraw/zinc/44/04/01/384440401.db2.gz OEJGCXXQCJLZKF-ZIAGYGMSSA-N 1 1 244.338 1.882 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)NCc2ccco2)C1 ZINC000082304940 384664149 /nfs/dbraw/zinc/66/41/49/384664149.db2.gz SDHAVIFGVAPSSO-SNVBAGLBSA-N 1 1 222.288 1.238 40 0 BDABMO CCCCNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932130 384758510 /nfs/dbraw/zinc/75/85/10/384758510.db2.gz RYIQOSVQISSMEY-LLVKDONJSA-N 1 1 225.336 1.276 40 0 BDABMO [NH3+][C@@H]1C[C@]12CCCN(Cc1ccccc1)C2 ZINC000216407622 385055452 /nfs/dbraw/zinc/05/54/52/385055452.db2.gz HRHOQWHMSDKGIB-KGLIPLIRSA-N 1 1 216.328 2.000 40 0 BDABMO [NH3+][C@@H]1CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000096523553 385268361 /nfs/dbraw/zinc/26/83/61/385268361.db2.gz XUMFEBATYXIJLQ-SNVBAGLBSA-N 1 1 230.315 1.486 40 0 BDABMO CCS(=O)(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1F ZINC000096524834 385274329 /nfs/dbraw/zinc/27/43/29/385274329.db2.gz XHELDRBUPLVQIX-LDYMZIIASA-N 1 1 245.319 1.649 40 0 BDABMO Cc1noc([C@@]2(C)C[N@H+](C(C)C)CCO2)n1 ZINC000257274556 385757197 /nfs/dbraw/zinc/75/71/97/385757197.db2.gz NLODQMNIBTYYQV-LLVKDONJSA-N 1 1 225.292 1.334 40 0 BDABMO Cc1noc([C@@]2(C)C[N@@H+](C(C)C)CCO2)n1 ZINC000257274556 385757200 /nfs/dbraw/zinc/75/72/00/385757200.db2.gz NLODQMNIBTYYQV-LLVKDONJSA-N 1 1 225.292 1.334 40 0 BDABMO Cn1ccc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)n1 ZINC000257303011 385762670 /nfs/dbraw/zinc/76/26/70/385762670.db2.gz SFKOTNFEHGORJU-JTQLQIEISA-N 1 1 231.303 1.133 40 0 BDABMO C(C[C@@H]1CCC[NH2+]C1)CN1CCOCC1 ZINC000034449400 386075577 /nfs/dbraw/zinc/07/55/77/386075577.db2.gz AQXWAAMFWWPWLC-LBPRGKRZSA-N 1 1 212.337 1.098 40 0 BDABMO CC(C)n1nccc1C[NH2+]Cc1ccnn1C ZINC000256052504 387860678 /nfs/dbraw/zinc/86/06/78/387860678.db2.gz NONIGIJBBICOJC-UHFFFAOYSA-N 1 1 233.319 1.487 40 0 BDABMO Cn1nccc1C[NH2+]Cc1ccnn1C(F)F ZINC000256055137 387862249 /nfs/dbraw/zinc/86/22/49/387862249.db2.gz ZIRCDBIZCAWTPN-UHFFFAOYSA-N 1 1 241.245 1.302 40 0 BDABMO COCC[N@H+]1C[C@H](O)C[C@H]1CC(C)C ZINC000242543505 388399518 /nfs/dbraw/zinc/39/95/18/388399518.db2.gz KCSROKQMPMKGEU-GHMZBOCLSA-N 1 1 201.310 1.114 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1F ZINC000242688668 388400859 /nfs/dbraw/zinc/40/08/59/388400859.db2.gz VWHZWDWGOAOBKG-QWRGUYRKSA-N 1 1 237.274 1.644 40 0 BDABMO Cc1ccc([C@H]2C[N@@H+](C)C[C@H]2CO)cc1 ZINC000252515081 388653897 /nfs/dbraw/zinc/65/38/97/388653897.db2.gz GYBGIDIQZMAAIP-QWHCGFSZSA-N 1 1 205.301 1.633 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccc(N)cc1 ZINC000252515426 388654154 /nfs/dbraw/zinc/65/41/54/388654154.db2.gz JSOMRGBZMHYPNK-RYUDHWBXSA-N 1 1 234.299 1.087 40 0 BDABMO Cc1nnc([C@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533234 388778032 /nfs/dbraw/zinc/77/80/32/388778032.db2.gz PYXKHRKHODNTCW-SECBINFHSA-N 1 1 206.224 1.300 40 0 BDABMO COc1c(N)cc(C=O)cc1C[NH+](C)C ZINC000225721562 388843201 /nfs/dbraw/zinc/84/32/01/388843201.db2.gz RLGZFVLXXZPUJD-UHFFFAOYSA-N 1 1 208.261 1.152 40 0 BDABMO Cc1ccc([C@H]2C[N@@H+](C)C[C@@H]2CO)cc1 ZINC000225608793 388839694 /nfs/dbraw/zinc/83/96/94/388839694.db2.gz GYBGIDIQZMAAIP-CHWSQXEVSA-N 1 1 205.301 1.633 40 0 BDABMO CC(C)OCCC[N@@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000225716042 388840363 /nfs/dbraw/zinc/84/03/63/388840363.db2.gz SHGHLIYBOOHATO-STQMWFEESA-N 1 1 226.364 1.628 40 0 BDABMO CC(C)OCCC[N@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000225716042 388840366 /nfs/dbraw/zinc/84/03/66/388840366.db2.gz SHGHLIYBOOHATO-STQMWFEESA-N 1 1 226.364 1.628 40 0 BDABMO Nc1ccc([NH+]2CCCCC2)c(-n2cnnc2)c1 ZINC000070461813 132230659 /nfs/dbraw/zinc/23/06/59/132230659.db2.gz RWZURXOBJNQURN-UHFFFAOYSA-N 1 1 243.314 1.840 40 0 BDABMO Cc1cc(N)ccc1[NH+]1CCC(C(N)=O)CC1 ZINC000057381071 132237097 /nfs/dbraw/zinc/23/70/97/132237097.db2.gz SXXHANJEPMKQHR-UHFFFAOYSA-N 1 1 233.315 1.279 40 0 BDABMO Cc1ccc(N2CCC[C@@H](CO)C2)[nH+]c1 ZINC000040434908 132347603 /nfs/dbraw/zinc/34/76/03/132347603.db2.gz JLZKQAIEDWQNSC-LLVKDONJSA-N 1 1 206.289 1.599 40 0 BDABMO CC(C)Oc1cccc(-c2noc(C[NH3+])n2)c1 ZINC000040165568 167305182 /nfs/dbraw/zinc/30/51/82/167305182.db2.gz FJGVEFKRRLCWOB-UHFFFAOYSA-N 1 1 233.271 1.983 40 0 BDABMO CCOC(=O)[C@H]([NH3+])CS[C@H]1CCCCO1 ZINC000019805069 170275507 /nfs/dbraw/zinc/27/55/07/170275507.db2.gz QGZKVZJVXAQCSO-BDAKNGLRSA-N 1 1 233.333 1.137 40 0 BDABMO CCc1nnc([C@@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533323 172004731 /nfs/dbraw/zinc/00/47/31/172004731.db2.gz IVLZPRQATWBKRF-JTQLQIEISA-N 1 1 220.251 1.554 40 0 BDABMO CCc1nnc([C@@H]([NH3+])c2ccc(C)cc2)[nH]1 ZINC000095534157 172004782 /nfs/dbraw/zinc/00/47/82/172004782.db2.gz CQPWJHNDQXIQRD-NSHDSACASA-N 1 1 216.288 1.724 40 0 BDABMO CCn1ncc2c1[C@H](COC)C[N@@H+](CC1CC1)C2 ZINC000096060165 172257163 /nfs/dbraw/zinc/25/71/63/172257163.db2.gz SYLMFPLZADGJLA-ZDUSSCGKSA-N 1 1 249.358 1.859 40 0 BDABMO CCn1nccc1C[NH2+]Cc1cc(C)nn1C ZINC000256051699 172270600 /nfs/dbraw/zinc/27/06/00/172270600.db2.gz KETSJLLLOASTBA-UHFFFAOYSA-N 1 1 233.319 1.235 40 0 BDABMO CN1CC[C@](O)(C[NH3+])c2cc(Cl)ccc2C1 ZINC000096510467 173162921 /nfs/dbraw/zinc/16/29/21/173162921.db2.gz UUVQAPQCALPMKU-LBPRGKRZSA-N 1 1 240.734 1.322 40 0 BDABMO C[N@H+]1CCc2nc(NCc3ccco3)ncc2C1 ZINC000049474149 173174587 /nfs/dbraw/zinc/17/45/87/173174587.db2.gz VREFYTCJRPBCKF-UHFFFAOYSA-N 1 1 244.298 1.670 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000217673152 173192798 /nfs/dbraw/zinc/19/27/98/173192798.db2.gz YERUOLXDZSNEDO-PWSUYJOCSA-N 1 1 225.719 1.978 40 0 BDABMO C[N@H+]1Cc2cccc([Si](C)(C)C)c2[C@H](O)C1 ZINC000196807535 173202359 /nfs/dbraw/zinc/20/23/59/173202359.db2.gz BVZKLEZLODRMPC-LLVKDONJSA-N 1 1 235.403 1.711 40 0 BDABMO C[N@@H+]1Cc2cccc([Si](C)(C)C)c2[C@H](O)C1 ZINC000196807535 173202361 /nfs/dbraw/zinc/20/23/61/173202361.db2.gz BVZKLEZLODRMPC-LLVKDONJSA-N 1 1 235.403 1.711 40 0 BDABMO COCC[N@H+]1CC[C@@H](O)[C@@H]1Cc1ccccc1 ZINC000096200037 174312841 /nfs/dbraw/zinc/31/28/41/174312841.db2.gz HJFFKKKKYSNFMV-UONOGXRCSA-N 1 1 235.327 1.311 40 0 BDABMO COc1ccc(C(=O)[C@H](C)[NH+](C)C)cc1 ZINC000037333630 175066185 /nfs/dbraw/zinc/06/61/85/175066185.db2.gz LODCRGDBFNUJIZ-VIFPVBQESA-N 1 1 207.273 1.828 40 0 in-vitro BDABMO COc1ccc(CCN[C@@H]2CCC[NH2+]C2)cc1 ZINC000043323982 175091528 /nfs/dbraw/zinc/09/15/28/175091528.db2.gz OPGHXKVZVJJUIO-CYBMUJFWSA-N 1 1 234.343 1.579 40 0 BDABMO COc1ccc(NC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000082325934 175145412 /nfs/dbraw/zinc/14/54/12/175145412.db2.gz MJKDJUVDFAKEJR-LLVKDONJSA-N 1 1 248.326 1.976 40 0 BDABMO COc1ccccc1[C@H]1C[NH2+]CCN1C(C)=O ZINC000072344367 175355174 /nfs/dbraw/zinc/35/51/74/175355174.db2.gz GKDPBOICSFPARK-GFCCVEGCSA-N 1 1 234.299 1.188 40 0 BDABMO COc1ccccc1[C@H]1C[N@@H+](C)C[C@@H]1CO ZINC000217673545 175355324 /nfs/dbraw/zinc/35/53/24/175355324.db2.gz QUNRHFORAMKQMF-PWSUYJOCSA-N 1 1 221.300 1.333 40 0 BDABMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)CCO ZINC000000519100 176011971 /nfs/dbraw/zinc/01/19/71/176011971.db2.gz DZUDAROQGILUTD-JQWIXIFHSA-N 1 1 209.289 1.033 40 0 BDABMO C[C@@H]1CC(C)(C)N[C@@H]([C@@H]2CCC=CO2)[NH2+]1 ZINC000019325706 176052809 /nfs/dbraw/zinc/05/28/09/176052809.db2.gz HDKKTOGRZBBVBD-VWYCJHECSA-N 1 1 210.321 1.755 40 0 BDABMO C[C@H](c1cnccn1)[N@H+]1CCCC[C@@H]1CO ZINC000072203883 177051073 /nfs/dbraw/zinc/05/10/73/177051073.db2.gz FSSCFFPPZZZSSI-GHMZBOCLSA-N 1 1 221.304 1.384 40 0 BDABMO CCCCN(C)C[C@@H]([NH3+])CCSC ZINC000039794811 349537118 /nfs/dbraw/zinc/53/71/18/349537118.db2.gz XYXCYZPHXHFOHR-JTQLQIEISA-N 1 1 204.383 1.799 40 0 BDABMO CCCC[N@H+](C)C[C@@H](N)CCSC ZINC000039794811 349537123 /nfs/dbraw/zinc/53/71/23/349537123.db2.gz XYXCYZPHXHFOHR-JTQLQIEISA-N 1 1 204.383 1.799 40 0 BDABMO CCCC[N@@H+](C)C[C@@H](N)CCSC ZINC000039794811 349537127 /nfs/dbraw/zinc/53/71/27/349537127.db2.gz XYXCYZPHXHFOHR-JTQLQIEISA-N 1 1 204.383 1.799 40 0 BDABMO CN(C)c1ncccc1[C@@H]1CCC[N@H+]1C ZINC000072212642 259317368 /nfs/dbraw/zinc/31/73/68/259317368.db2.gz FXBBKSOZPBZVQY-NSHDSACASA-N 1 1 205.305 1.914 40 0 BDABMO Cn1cc[nH+]c1C[C@@](C)(O)c1ccccc1 ZINC000003954492 342740001 /nfs/dbraw/zinc/74/00/01/342740001.db2.gz NTGAQWUCYHPCTF-CYBMUJFWSA-N 1 1 216.284 1.870 40 0 in-vitro BDABMO CC[NH+]1CCN(C(=O)NCc2ccccc2)CC1 ZINC000004847585 342753294 /nfs/dbraw/zinc/75/32/94/342753294.db2.gz KWSHIUQMEALEOC-UHFFFAOYSA-N 1 1 247.342 1.534 40 0 BDABMO CN1C(=O)[C@@H]([NH3+])[C@H]1c1ccccc1Cl ZINC000072228274 259323070 /nfs/dbraw/zinc/32/30/70/259323070.db2.gz PWOBDSLRPMOWOO-DTWKUNHWSA-N 1 1 210.664 1.180 40 0 BDABMO [NH3+]Cc1nnc(-c2cccc(Cl)c2)o1 ZINC000011585624 342841631 /nfs/dbraw/zinc/84/16/31/342841631.db2.gz YWHKJARWLAQSLV-UHFFFAOYSA-N 1 1 209.636 1.849 40 0 BDABMO C[C@H](O)CN1CCC[C@H]([C@H]2CCC[N@@H+]2C)C1 ZINC000252486988 259325962 /nfs/dbraw/zinc/32/59/62/259325962.db2.gz QQVNFJUUBWYODO-RWMBFGLXSA-N 1 1 226.364 1.173 40 0 BDABMO C[C@H](O)CN1CCC[C@H]([C@H]2CCC[N@H+]2C)C1 ZINC000252486988 259325963 /nfs/dbraw/zinc/32/59/63/259325963.db2.gz QQVNFJUUBWYODO-RWMBFGLXSA-N 1 1 226.364 1.173 40 0 BDABMO CCOC[C@@H]1C[N@@H+](CC2CC2)Cc2cn(C)nc21 ZINC000096059848 398312355 /nfs/dbraw/zinc/31/23/55/398312355.db2.gz DBQLZFFUHHPVPM-ZDUSSCGKSA-N 1 1 249.358 1.766 40 0 BDABMO O=C1CC[C@@]2(c3ccccc3)[NH2+]CCCCN12 ZINC000035572411 343298283 /nfs/dbraw/zinc/29/82/83/343298283.db2.gz AAGAEUXQMWSWME-CQSZACIVSA-N 1 1 230.311 1.845 40 0 BDABMO CC[NH+]1CCN(C(=S)c2ccccc2)CC1 ZINC000013547781 346951996 /nfs/dbraw/zinc/95/19/96/346951996.db2.gz IIKLILSCPFKVJG-UHFFFAOYSA-N 1 1 234.368 2.000 40 0 BDABMO CC[C@@H]([C@@H]([NH3+])c1ccccc1F)S(C)(=O)=O ZINC000096524893 343759003 /nfs/dbraw/zinc/75/90/03/343759003.db2.gz MZVSQCWMUMSRHL-QWRGUYRKSA-N 1 1 245.319 1.649 40 0 BDABMO CC(C)C[N@H+]1CCC[C@]2(CN(C(C)C)C2=O)C1 ZINC000585099284 344132092 /nfs/dbraw/zinc/13/20/92/344132092.db2.gz BCUIAMQGQDLEBM-CQSZACIVSA-N 1 1 238.375 1.975 40 0 BDABMO Cc1cc(C(=O)N2CCC[C@@]3(CC[N@@H+]3C)C2)no1 ZINC000585101712 344132574 /nfs/dbraw/zinc/13/25/74/344132574.db2.gz ATHXGAQKPVMOOY-CYBMUJFWSA-N 1 1 249.314 1.293 40 0 BDABMO CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1ccccn1 ZINC000096523792 187289266 /nfs/dbraw/zinc/28/92/66/187289266.db2.gz DPDULRMMHWXONP-CQSZACIVSA-N 1 1 235.375 1.929 40 0 BDABMO CC(C)[C@H]([NH3+])CCN(C)CCc1ccccn1 ZINC000096523792 187289267 /nfs/dbraw/zinc/28/92/67/187289267.db2.gz DPDULRMMHWXONP-CQSZACIVSA-N 1 1 235.375 1.929 40 0 BDABMO C[C@@]12[NH2+]CCN1C(=O)OC21CCCCC1 ZINC000000139605 345261234 /nfs/dbraw/zinc/26/12/34/345261234.db2.gz UPDXRQRZXVODIS-SNVBAGLBSA-N 1 1 210.277 1.461 40 0 BDABMO [NH3+]CC(=O)c1cccc(OCC(F)F)c1 ZINC000169800050 187302966 /nfs/dbraw/zinc/30/29/66/187302966.db2.gz LSNLWUWGNKUYNK-UHFFFAOYSA-N 1 1 215.199 1.472 40 0 BDABMO CC(=O)NC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000196726476 345724585 /nfs/dbraw/zinc/72/45/85/345724585.db2.gz CVZIEMYFGJXENX-UHFFFAOYSA-N 1 1 233.315 1.495 40 0 BDABMO CCOc1ccccc1CNCCC[NH3+] ZINC000037713081 323108072 /nfs/dbraw/zinc/10/80/72/323108072.db2.gz BQYAWNCKOWYDHS-UHFFFAOYSA-N 1 1 208.305 1.524 40 0 BDABMO Cc1ncc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)cn1 ZINC000257240359 180146635 /nfs/dbraw/zinc/14/66/35/180146635.db2.gz HTCNBLDDFNVIRA-LBPRGKRZSA-N 1 1 243.314 1.498 40 0 BDABMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)COC ZINC000222978800 350257512 /nfs/dbraw/zinc/25/75/12/350257512.db2.gz WEFGVHATJIWALR-GFCCVEGCSA-N 1 1 242.363 1.404 40 0 BDABMO Cc1c(N)n(Cc2ccccc2)nc1C[NH+](C)C ZINC000026512163 350854024 /nfs/dbraw/zinc/85/40/24/350854024.db2.gz MXGWXIJJYGSPKZ-UHFFFAOYSA-N 1 1 244.342 1.884 40 0 BDABMO CC(C)(C)N1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000256053351 351033564 /nfs/dbraw/zinc/03/35/64/351033564.db2.gz RCKAXZQXQSZYPS-QWRGUYRKSA-N 1 1 236.290 1.835 40 0 BDABMO Cn1cc(-c2noc(C[NH3+])n2)c2ccccc21 ZINC000000012010 363042673 /nfs/dbraw/zinc/04/26/73/363042673.db2.gz HGUPNPBJRNMJIH-UHFFFAOYSA-N 1 1 228.255 1.687 40 0 BDABMO COC(=O)[C@H]([NH3+])Cc1c[nH]c2c1cccc2OC ZINC000044909667 352656274 /nfs/dbraw/zinc/65/62/74/352656274.db2.gz PDGMDZRZEWHXQJ-SNVBAGLBSA-N 1 1 248.282 1.219 40 0 BDABMO CCN1CCN(c2cc(C)c(C[NH2+]C)cn2)CC1 ZINC000072223640 259532581 /nfs/dbraw/zinc/53/25/81/259532581.db2.gz FYERMGVIIMLMIB-UHFFFAOYSA-N 1 1 248.374 1.251 40 0 BDABMO CC(C)[N@H+]1CC[C@H](c2cc(CCO)on2)C1 ZINC000205701182 368359673 /nfs/dbraw/zinc/35/96/73/368359673.db2.gz OWMWJHWZIGYGAT-JTQLQIEISA-N 1 1 224.304 1.407 40 0 BDABMO CCN1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000020073826 371226608 /nfs/dbraw/zinc/22/66/08/371226608.db2.gz SJOMSWXJOFMPEU-OAHLLOKOSA-N 1 1 247.386 1.194 40 0 BDABMO C[N@@H+]([C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000003186782 371906463 /nfs/dbraw/zinc/90/64/63/371906463.db2.gz ZVWSPVSUNHWYMN-LLVKDONJSA-N 1 1 231.361 1.438 40 0 BDABMO OCC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031938709 183096651 /nfs/dbraw/zinc/09/66/51/183096651.db2.gz OEDZWYHYDHTDHC-CYBMUJFWSA-N 1 1 221.300 1.442 40 0 BDABMO OCCOC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390546 183086942 /nfs/dbraw/zinc/08/69/42/183086942.db2.gz QRSIIMZBNQMNLA-OAHLLOKOSA-N 1 1 249.354 1.908 40 0 BDABMO OCCc1cc([C@H]2CC[N@H+](C3CCCC3)C2)[nH]n1 ZINC000257201835 183100042 /nfs/dbraw/zinc/10/00/42/183100042.db2.gz AJFBDKGDWAGGMS-NSHDSACASA-N 1 1 249.358 1.676 40 0 BDABMO OCCc1cc([C@H]2CC[N@@H+](C3CCCC3)C2)n[nH]1 ZINC000257201835 183100043 /nfs/dbraw/zinc/10/00/43/183100043.db2.gz AJFBDKGDWAGGMS-NSHDSACASA-N 1 1 249.358 1.676 40 0 BDABMO OCCc1cc([C@H]2CC[N@H+](C3CCCC3)C2)n[nH]1 ZINC000257201835 183100045 /nfs/dbraw/zinc/10/00/45/183100045.db2.gz AJFBDKGDWAGGMS-NSHDSACASA-N 1 1 249.358 1.676 40 0 BDABMO O[C@H]1CC[N@@H+](CC2CC2)[C@H]1Cc1ccncc1 ZINC000096061654 183237864 /nfs/dbraw/zinc/23/78/64/183237864.db2.gz VUAWWDKRKCRBQS-KBPBESRZSA-N 1 1 232.327 1.469 40 0 BDABMO c1cc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)n[nH]1 ZINC000257326436 183361302 /nfs/dbraw/zinc/36/13/02/183361302.db2.gz WXFIBTLLQMVWJB-LLVKDONJSA-N 1 1 243.314 1.579 40 0 BDABMO c1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)n[nH]1 ZINC000257326436 183361303 /nfs/dbraw/zinc/36/13/03/183361303.db2.gz WXFIBTLLQMVWJB-LLVKDONJSA-N 1 1 243.314 1.579 40 0 BDABMO CN(CC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000054417038 383842976 /nfs/dbraw/zinc/84/29/76/383842976.db2.gz MZQKEWUMXPKZHI-HNNXBMFYSA-N 1 1 247.386 1.542 40 0 BDABMO CCCC[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000001731653 383931885 /nfs/dbraw/zinc/93/18/85/383931885.db2.gz AYIQFLMDFJEPKW-NSHDSACASA-N 1 1 228.336 1.949 40 0 BDABMO NC[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000035677049 384089106 /nfs/dbraw/zinc/08/91/06/384089106.db2.gz GVWFYJNEJZYKID-MRVPVSSYSA-N 1 1 233.084 1.547 40 0 BDABMO CCCC[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000005203238 384106552 /nfs/dbraw/zinc/10/65/52/384106552.db2.gz AYIQFLMDFJEPKW-LLVKDONJSA-N 1 1 228.336 1.949 40 0 BDABMO CC[NH+](CC)[C@@](C)(CC)[C@@H](CN)CO ZINC000072210354 384154099 /nfs/dbraw/zinc/15/40/99/384154099.db2.gz MLFOMDOARNOWFZ-QWRGUYRKSA-N 1 1 202.342 1.064 40 0 BDABMO CNc1cc([C@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000072350703 384211693 /nfs/dbraw/zinc/21/16/93/384211693.db2.gz OHMLIHDAHRFOAG-JTQLQIEISA-N 1 1 220.320 1.636 40 0 BDABMO Cc1ccc([C@@H]2CCC[N@H+](CC(N)=O)C2)nc1 ZINC000072361145 384214435 /nfs/dbraw/zinc/21/44/35/384214435.db2.gz RDCPAACCUVWASM-LLVKDONJSA-N 1 1 233.315 1.055 40 0 BDABMO Cc1ccc([C@@H]2CCC[N@@H+](CC(N)=O)C2)nc1 ZINC000072361145 384214439 /nfs/dbraw/zinc/21/44/39/384214439.db2.gz RDCPAACCUVWASM-LLVKDONJSA-N 1 1 233.315 1.055 40 0 BDABMO c1cnc([C@@H]2CCC[N@H+]2C2CCOCC2)cn1 ZINC000072381932 384216547 /nfs/dbraw/zinc/21/65/47/384216547.db2.gz MZQJNDLGTHLJRK-ZDUSSCGKSA-N 1 1 233.315 1.793 40 0 BDABMO Nc1nccc([C@@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000072383323 384219097 /nfs/dbraw/zinc/21/90/97/384219097.db2.gz ZABXUIGRLCJRIE-SNVBAGLBSA-N 1 1 218.304 1.258 40 0 BDABMO Nc1cc2[nH+]c[nH]c2cc1Br ZINC000082372918 384272837 /nfs/dbraw/zinc/27/28/37/384272837.db2.gz KPJQYZAHKRLPLX-UHFFFAOYSA-N 1 1 212.050 1.908 40 0 BDABMO O=C1CC[C@]2(CCC[N@@H+](CC3CC3)CC2)N1 ZINC000096047479 384429899 /nfs/dbraw/zinc/42/98/99/384429899.db2.gz YPRDJHRFVNZYKL-ZDUSSCGKSA-N 1 1 222.332 1.531 40 0 BDABMO CO[C@H]1C[N@@H+](Cc2ccco2)[C@@H]2CCCO[C@@H]21 ZINC000096057402 384432345 /nfs/dbraw/zinc/43/23/45/384432345.db2.gz ZNTYAQLJCPEICO-AGIUHOORSA-N 1 1 237.299 1.658 40 0 BDABMO CC[N@H+]1CCC2(CN(C(=O)CC3CC3)C2)C1 ZINC000096070921 384432430 /nfs/dbraw/zinc/43/24/30/384432430.db2.gz CHXFSRLNNZXCCC-UHFFFAOYSA-N 1 1 222.332 1.341 40 0 BDABMO COc1ncccc1CN1CC[C@H]2[C@H]1CC[N@H+]2C ZINC000096100475 384435391 /nfs/dbraw/zinc/43/53/91/384435391.db2.gz MDYBDNULGRQTRK-QWHCGFSZSA-N 1 1 247.342 1.369 40 0 BDABMO CN1C(=O)C[C@@H]2[C@H]1CC[N@H+]2Cc1ccoc1 ZINC000096081175 384435582 /nfs/dbraw/zinc/43/55/82/384435582.db2.gz IEYZUUNCLCAFFI-GHMZBOCLSA-N 1 1 220.272 1.085 40 0 BDABMO Nc1c(-c2cccnc2)[nH+]cn1C1CC1 ZINC000100761130 384780005 /nfs/dbraw/zinc/78/00/05/384780005.db2.gz UCKHXRSWQITQII-UHFFFAOYSA-N 1 1 200.245 1.862 40 0 BDABMO CNC(=O)c1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072187746 385047051 /nfs/dbraw/zinc/04/70/51/385047051.db2.gz RGDHNTRZTSONRD-JTQLQIEISA-N 1 1 233.315 1.250 40 0 BDABMO CCN1CCN(c2ccc(C[NH2+]C)c(C)n2)CC1 ZINC000072224685 385118455 /nfs/dbraw/zinc/11/84/55/385118455.db2.gz PCDDLSINADPHQT-UHFFFAOYSA-N 1 1 248.374 1.251 40 0 BDABMO Cc1cc(N(C)C)[nH+]cc1[C@H]1CCCN1C=O ZINC000072218668 385099529 /nfs/dbraw/zinc/09/95/29/385099529.db2.gz MMEFKDCFVGBWOA-GFCCVEGCSA-N 1 1 233.315 1.749 40 0 BDABMO COc1ccc([C@@H]2C[N@@H+](C)C[C@H]2CO)cc1 ZINC000242547833 385188054 /nfs/dbraw/zinc/18/80/54/385188054.db2.gz KUYYGVJYJPSSMR-AAEUAGOBSA-N 1 1 221.300 1.333 40 0 BDABMO CC(C)[C@H]([NH3+])CCN1CCSCC1 ZINC000096523812 385267447 /nfs/dbraw/zinc/26/74/47/385267447.db2.gz DXIGWFIQTGTOTQ-SNVBAGLBSA-N 1 1 202.367 1.409 40 0 BDABMO C[NH+](C)CC(=O)Nc1ccc(N)cc1Cl ZINC000008732422 385267496 /nfs/dbraw/zinc/26/74/96/385267496.db2.gz HGOZHNFXVDBFMC-UHFFFAOYSA-N 1 1 227.695 1.422 40 0 BDABMO [NH3+][C@@H]1CCN(Cc2[nH]nc3ccccc32)C1 ZINC000096523510 385268656 /nfs/dbraw/zinc/26/86/56/385268656.db2.gz MWSGEAHAWOKSGC-SECBINFHSA-N 1 1 216.288 1.096 40 0 BDABMO COC(=O)[C@@H]([NH3+])C(C(F)(F)F)C(F)(F)F ZINC000016159301 385403089 /nfs/dbraw/zinc/40/30/89/385403089.db2.gz KSIDOGURSVEJEZ-REOHCLBHSA-N 1 1 239.115 1.228 40 0 BDABMO Cc1csc(C2CC[NH+](CC(N)=O)CC2)n1 ZINC000156777178 385468530 /nfs/dbraw/zinc/46/85/30/385468530.db2.gz SDGWLHJQROCSRC-UHFFFAOYSA-N 1 1 239.344 1.116 40 0 BDABMO FC(F)(F)c1[nH]nc2c1CC[C@@H]1C[NH2+]C[C@H]21 ZINC000257257628 385758289 /nfs/dbraw/zinc/75/82/89/385758289.db2.gz KQLVWBMMYFWVPI-VDTYLAMSSA-N 1 1 231.221 1.678 40 0 BDABMO N[C@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000218874671 386424162 /nfs/dbraw/zinc/42/41/62/386424162.db2.gz WJGVXTQYDKCYTE-WDEREUQCSA-N 1 1 210.346 1.760 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000225609218 386672317 /nfs/dbraw/zinc/67/23/17/386672317.db2.gz YERUOLXDZSNEDO-ZYHUDNBSSA-N 1 1 225.719 1.978 40 0 BDABMO CCN(CC)CC[NH2+]Cc1ccnn1CC ZINC000159879818 387853873 /nfs/dbraw/zinc/85/38/73/387853873.db2.gz YWIMGOILZRCXLZ-UHFFFAOYSA-N 1 1 224.352 1.334 40 0 BDABMO C(=C/c1ccccc1)\CC[NH+]1CCNCC1 ZINC000071519829 387855590 /nfs/dbraw/zinc/85/55/90/387855590.db2.gz RUAZBTZHAHUKSD-XBXARRHUSA-N 1 1 216.328 1.995 40 0 BDABMO C[NH2+][C@@H](CN)c1ccc(Br)cc1 ZINC000050269826 387954644 /nfs/dbraw/zinc/95/46/44/387954644.db2.gz SMZZXIQFAQJFDI-VIFPVBQESA-N 1 1 229.121 1.668 40 0 BDABMO COCC[N@H+]1C[C@@H](O)C[C@H]1CC(C)C ZINC000242543506 388399208 /nfs/dbraw/zinc/39/92/08/388399208.db2.gz KCSROKQMPMKGEU-MNOVXSKESA-N 1 1 201.310 1.114 40 0 BDABMO COc1cc(C=O)cc(C[NH+](C)C)c1OC ZINC000225721433 388842681 /nfs/dbraw/zinc/84/26/81/388842681.db2.gz JHZOLSNMEBCFFX-UHFFFAOYSA-N 1 1 223.272 1.578 40 0 BDABMO CC(C)OCCC[NH2+][C@H]1CCC[C@H]1N ZINC000218873970 167226540 /nfs/dbraw/zinc/22/65/40/167226540.db2.gz ARDDYTTVTDFFBK-MNOVXSKESA-N 1 1 200.326 1.271 40 0 BDABMO CCn1nc(N)cc1C[N@H+]1CCCC[C@H]1C ZINC000408717395 411258190 /nfs/dbraw/zinc/25/81/90/411258190.db2.gz ZKTAGXCYRVNOHW-SNVBAGLBSA-N 1 1 222.336 1.860 40 0 BDABMO CC[N@@H+]1CCc2c(sc(N)c2C(C)=O)C1 ZINC000083744556 170023534 /nfs/dbraw/zinc/02/35/34/170023534.db2.gz GSGDBVQFTCHXOS-UHFFFAOYSA-N 1 1 224.329 1.911 40 0 BDABMO CC[N@H+]1CCc2c(sc(N)c2C(C)=O)C1 ZINC000083744556 170023535 /nfs/dbraw/zinc/02/35/35/170023535.db2.gz GSGDBVQFTCHXOS-UHFFFAOYSA-N 1 1 224.329 1.911 40 0 BDABMO CC[N@H+]1CCc2[nH]c(=S)nc(C)c2C1 ZINC000049474128 170024882 /nfs/dbraw/zinc/02/48/82/170024882.db2.gz RLXXMERSJBUGAY-UHFFFAOYSA-N 1 1 209.318 1.452 40 0 BDABMO CCNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038832168 170101940 /nfs/dbraw/zinc/10/19/40/170101940.db2.gz VQYNHAIIXQAWSH-UHFFFAOYSA-N 1 1 243.310 1.990 40 0 BDABMO CC[NH2+]Cc1nc2ccc(OC)cc2[nH]1 ZINC000022122084 170131437 /nfs/dbraw/zinc/13/14/37/170131437.db2.gz YLKQWRVCVRTRES-UHFFFAOYSA-N 1 1 205.261 1.681 40 0 BDABMO CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510524 172028773 /nfs/dbraw/zinc/02/87/73/172028773.db2.gz LBACWQHVIOANBO-NWDGAFQWSA-N 1 1 235.331 1.481 40 0 BDABMO CCc1nnc2sc(C3=CC[N@H+](C)CC3)nn12 ZINC000073636226 172069102 /nfs/dbraw/zinc/06/91/02/172069102.db2.gz LLLJBMDNHHMXAO-UHFFFAOYSA-N 1 1 249.343 1.467 40 0 BDABMO CCc1nnc2sc(C3=CC[N@@H+](C)CC3)nn12 ZINC000073636226 172069104 /nfs/dbraw/zinc/06/91/04/172069104.db2.gz LLLJBMDNHHMXAO-UHFFFAOYSA-N 1 1 249.343 1.467 40 0 BDABMO CCn1ccc(-c2nc([C@H]3CCCC[NH2+]3)no2)n1 ZINC000096511446 172200236 /nfs/dbraw/zinc/20/02/36/172200236.db2.gz ZNURGACXZOGATD-SECBINFHSA-N 1 1 247.302 1.768 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1cncc(-n2ccnc2)n1 ZINC000257312721 173035853 /nfs/dbraw/zinc/03/58/53/173035853.db2.gz UPGQRBODTWHSLA-LLVKDONJSA-N 1 1 229.287 1.429 40 0 BDABMO CN(C(=O)[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000082321499 173038412 /nfs/dbraw/zinc/03/84/12/173038412.db2.gz RVTZWEPAMQVSSL-LBPRGKRZSA-N 1 1 232.327 1.991 40 0 BDABMO C[N@H+]1CCC[C@H](Oc2ncccc2N)C1 ZINC000217514780 173046707 /nfs/dbraw/zinc/04/67/07/173046707.db2.gz UQGLMMVVJNNQGB-VIFPVBQESA-N 1 1 207.277 1.137 40 0 BDABMO C[NH+]1CCN(C(=O)Cc2cccs2)CC1 ZINC000033018958 173067815 /nfs/dbraw/zinc/06/78/15/173067815.db2.gz GTIXXKCLVFDGGD-UHFFFAOYSA-N 1 1 224.329 1.065 40 0 BDABMO C[N@H+]1CCc2nc(NC[C@H]3CCCO3)ncc2C1 ZINC000049474151 173175054 /nfs/dbraw/zinc/17/50/54/173175054.db2.gz JQZOVODKUHLQKM-LLVKDONJSA-N 1 1 248.330 1.055 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@H](c2cccc(F)c2)C1 ZINC000217672530 173192211 /nfs/dbraw/zinc/19/22/11/173192211.db2.gz PMTYDJRHJNLFNW-PWSUYJOCSA-N 1 1 209.264 1.463 40 0 BDABMO COCC[N@@H+]1CCCC[C@@H]1c1csc(N)n1 ZINC000072367909 174305660 /nfs/dbraw/zinc/30/56/60/174305660.db2.gz ZGKRCALNLNWBGL-SNVBAGLBSA-N 1 1 241.360 1.899 40 0 BDABMO COCC[N@H+]1CCCC[C@@H]1c1csc(N)n1 ZINC000072367909 174305662 /nfs/dbraw/zinc/30/56/62/174305662.db2.gz ZGKRCALNLNWBGL-SNVBAGLBSA-N 1 1 241.360 1.899 40 0 BDABMO COCC[N@H+]1CC[C@@H](OC(C)=O)[C@@H](C)[C@@H]1C ZINC000015305686 174313688 /nfs/dbraw/zinc/31/36/88/174313688.db2.gz IJRVCTCXVNZQPX-JBLDHEPKSA-N 1 1 229.320 1.295 40 0 BDABMO CO[C@H]1CSC2(C[NH+](Cc3ccoc3)C2)C1 ZINC000247828258 174902168 /nfs/dbraw/zinc/90/21/68/174902168.db2.gz GKRXTOMODUSUSB-LLVKDONJSA-N 1 1 239.340 1.986 40 0 BDABMO COc1cc2c(c(O)c1OC)CC[N@H+](C)C2 ZINC000003847307 175019695 /nfs/dbraw/zinc/01/96/95/175019695.db2.gz YMPWXMAFKMYBSE-UHFFFAOYSA-N 1 1 223.272 1.397 40 0 BDABMO COc1cc2c(c(O)c1OC)CC[N@@H+](C)C2 ZINC000003847307 175019697 /nfs/dbraw/zinc/01/96/97/175019697.db2.gz YMPWXMAFKMYBSE-UHFFFAOYSA-N 1 1 223.272 1.397 40 0 BDABMO COc1cc2c(cc1O)[C@H](O)C[N@H+](C)[C@@H]2C ZINC000003847402 175023465 /nfs/dbraw/zinc/02/34/65/175023465.db2.gz QYKJYRWPFATDSA-RDDDGLTNSA-N 1 1 223.272 1.441 40 0 BDABMO COc1cc2c(cc1O)[C@H](O)C[N@@H+](C)[C@@H]2C ZINC000003847402 175023466 /nfs/dbraw/zinc/02/34/66/175023466.db2.gz QYKJYRWPFATDSA-RDDDGLTNSA-N 1 1 223.272 1.441 40 0 BDABMO COc1ccc(-c2n[nH]c([C@@H](C)[NH3+])n2)cc1OC ZINC000061843987 175038018 /nfs/dbraw/zinc/03/80/18/175038018.db2.gz NRGOWBJGEOYKJB-SSDOTTSWSA-N 1 1 248.286 1.509 40 0 BDABMO COc1ccc2c(c1)[C@@]1(CCO2)COCC[NH2+]1 ZINC000306145931 175215716 /nfs/dbraw/zinc/21/57/16/175215716.db2.gz WIEQZLLXOOUZEJ-CYBMUJFWSA-N 1 1 235.283 1.293 40 0 BDABMO C[C@@H](c1nccs1)[N@@H+]1CCC[C@H](CO)C1 ZINC000043220359 176039211 /nfs/dbraw/zinc/03/92/11/176039211.db2.gz VLGMOLAFUBVKKH-UWVGGRQHSA-N 1 1 226.345 1.908 40 0 BDABMO C[C@@H](c1nccs1)[N@H+]1CCC[C@H](CO)C1 ZINC000043220359 176039212 /nfs/dbraw/zinc/03/92/12/176039212.db2.gz VLGMOLAFUBVKKH-UWVGGRQHSA-N 1 1 226.345 1.908 40 0 BDABMO C[C@@H]1CC[N@@H+](CC2CCOCC2)[C@H](CN)C1 ZINC000082643420 176168165 /nfs/dbraw/zinc/16/81/65/176168165.db2.gz JYLXZSCMTSMHCJ-YPMHNXCESA-N 1 1 226.364 1.472 40 0 BDABMO C[C@@H]1CC[NH2+][C@@H]1c1nc2cccc(C(N)=O)c2[nH]1 ZINC000095635472 176186631 /nfs/dbraw/zinc/18/66/31/176186631.db2.gz FXRVOXLVQCUUGN-XCBNKYQSSA-N 1 1 244.298 1.332 40 0 BDABMO C[C@H]1CCC[N@@H+](Cc2cc(N)n(C)n2)C1 ZINC000058083902 177100432 /nfs/dbraw/zinc/10/04/32/177100432.db2.gz RKXCOCNENJPZRQ-VIFPVBQESA-N 1 1 208.309 1.234 40 0 BDABMO COc1ccccc1C[C@@H]1C[N@H+]2CCC[C@H]2CN1 ZINC000039957311 524506817 /nfs/dbraw/zinc/50/68/17/524506817.db2.gz RGHOSBJYYVCBFX-KGLIPLIRSA-N 1 1 246.354 1.674 40 0 BDABMO COc1ccccc1C[C@@H]1CN2CCC[C@H]2C[NH2+]1 ZINC000039957311 524506825 /nfs/dbraw/zinc/50/68/25/524506825.db2.gz RGHOSBJYYVCBFX-KGLIPLIRSA-N 1 1 246.354 1.674 40 0 BDABMO CO[C@]12COC(=O)[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000066055331 636068149 /nfs/dbraw/zinc/06/81/49/636068149.db2.gz HOJNYORDDSEUCZ-TZMCWYRMSA-N 1 1 247.294 1.060 40 0 BDABMO C[NH+](C)[C@H](C(N)=O)c1ccc(Cl)cc1 ZINC000058493623 398137224 /nfs/dbraw/zinc/13/72/24/398137224.db2.gz GYBFOLJEKJQGCI-VIFPVBQESA-N 1 1 212.680 1.428 40 0 BDABMO Cc1cc(N(C)C)cc([C@@H]2CC[N@H+](C)C2)n1 ZINC000072386357 178095396 /nfs/dbraw/zinc/09/53/96/178095396.db2.gz ZGYUSKAEGQDCLW-LLVKDONJSA-N 1 1 219.332 1.875 40 0 BDABMO Cc1cc(N(C)C)cc([C@@H]2CC[N@@H+](C)C2)n1 ZINC000072386357 178095399 /nfs/dbraw/zinc/09/53/99/178095399.db2.gz ZGYUSKAEGQDCLW-LLVKDONJSA-N 1 1 219.332 1.875 40 0 BDABMO Cc1cc(Nc2ccc(O)cc2)nc(N)[nH+]1 ZINC000001607982 178192586 /nfs/dbraw/zinc/19/25/86/178192586.db2.gz BXFDVDDEMCLBOX-UHFFFAOYSA-N 1 1 216.244 1.816 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccco1 ZINC000217671118 398322594 /nfs/dbraw/zinc/32/25/94/398322594.db2.gz ZBOTWDDBFUHQSN-IUCAKERBSA-N 1 1 209.245 1.098 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1F ZINC000217668093 398322824 /nfs/dbraw/zinc/32/28/24/398322824.db2.gz VWHZWDWGOAOBKG-MNOVXSKESA-N 1 1 237.274 1.644 40 0 BDABMO COC(=O)C[C@@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000016696997 342914550 /nfs/dbraw/zinc/91/45/50/342914550.db2.gz NDALEGUOVNXIKT-CYBMUJFWSA-N 1 1 249.310 1.451 40 0 BDABMO COC(=O)C[C@@H]1COCC[N@H+]1Cc1ccccc1 ZINC000016696997 342914552 /nfs/dbraw/zinc/91/45/52/342914552.db2.gz NDALEGUOVNXIKT-CYBMUJFWSA-N 1 1 249.310 1.451 40 0 BDABMO COC(=O)C1=C(N)CC[N@@H+](Cc2ccccc2)C1 ZINC000019418796 342948019 /nfs/dbraw/zinc/94/80/19/342948019.db2.gz HLKWMBMESNOAMS-UHFFFAOYSA-N 1 1 246.310 1.278 40 0 BDABMO CC1(C)[C@@H]([NH+]2CCCCC2)CS1(=O)=O ZINC000031717072 343223539 /nfs/dbraw/zinc/22/35/39/343223539.db2.gz GYEGSHCPDNPGLU-VIFPVBQESA-N 1 1 217.334 1.048 40 0 BDABMO CC(C)[N@@H+](CCO)Cc1cncs1 ZINC000079422001 187262858 /nfs/dbraw/zinc/26/28/58/187262858.db2.gz KFJXDESDRPJRKZ-UHFFFAOYSA-N 1 1 200.307 1.346 40 0 BDABMO CC(C)[N@@H+](C)C[C@@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079419749 187263344 /nfs/dbraw/zinc/26/33/44/187263344.db2.gz BWKSUZHXOCUDIW-NSHDSACASA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[NH+](C)C[C@@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000079419749 187263346 /nfs/dbraw/zinc/26/33/46/187263346.db2.gz BWKSUZHXOCUDIW-NSHDSACASA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[NH+](C)C[C@@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000079419749 187263347 /nfs/dbraw/zinc/26/33/47/187263347.db2.gz BWKSUZHXOCUDIW-NSHDSACASA-N 1 1 228.336 1.123 40 0 BDABMO COC[C@@H]1CCCCN1c1[nH+]cccc1N ZINC000395973505 343810972 /nfs/dbraw/zinc/81/09/72/343810972.db2.gz AMTRAAVXEKMVJG-JTQLQIEISA-N 1 1 221.304 1.669 40 0 BDABMO NC(=O)[C@]1(F)CC[N@@H+](Cc2ccccc2)C1 ZINC000575621959 343870442 /nfs/dbraw/zinc/87/04/42/343870442.db2.gz FWXAVFBYVKPAJP-LBPRGKRZSA-N 1 1 222.263 1.086 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)NCc2ccccn2)C1 ZINC000082308278 187281131 /nfs/dbraw/zinc/28/11/31/187281131.db2.gz IZSRBHYFXFOCTB-LLVKDONJSA-N 1 1 233.315 1.040 40 0 BDABMO COc1ccc([C@H]([NH3+])c2nnc(C)[nH]2)cc1OC ZINC000095533785 187288016 /nfs/dbraw/zinc/28/80/16/187288016.db2.gz SWJLCZWUWUCROO-NSHDSACASA-N 1 1 248.286 1.178 40 0 BDABMO CCC(CC)C[N@H+]1CCC[C@@]2(CN(C)C2=O)C1 ZINC000585099487 344131983 /nfs/dbraw/zinc/13/19/83/344131983.db2.gz NIQMTLBHLWFNEI-CQSZACIVSA-N 1 1 238.375 1.977 40 0 BDABMO [NH3+][C@@H]1C(=O)N(C2CC2)[C@H]1c1cccc(F)c1 ZINC000256051558 344144904 /nfs/dbraw/zinc/14/49/04/344144904.db2.gz JQBQNFXMUUQVIO-QWRGUYRKSA-N 1 1 220.247 1.199 40 0 BDABMO CC(C)Cc1[nH]nc2c1[C@H]1CC[C@@H](C2)[NH2+]1 ZINC000096510290 187288783 /nfs/dbraw/zinc/28/87/83/187288783.db2.gz WNHOEAOUEBMLGS-DTWKUNHWSA-N 1 1 205.305 1.957 40 0 BDABMO CC(C)C[N@H+]1CCC[C@@]2(CCC(=O)N2)CC1 ZINC000096071912 344366496 /nfs/dbraw/zinc/36/64/96/344366496.db2.gz JIRWYTLNGSMKPY-CYBMUJFWSA-N 1 1 224.348 1.777 40 0 BDABMO CC(C)C[N@@H+](C(C)C)[C@H]1CNCC[C@]1(C)O ZINC000300919548 537867972 /nfs/dbraw/zinc/86/79/72/537867972.db2.gz UBSCCVCQHXEPTB-STQMWFEESA-N 1 1 228.380 1.466 40 0 BDABMO CC(C)CN(C(C)C)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000300919548 537867977 /nfs/dbraw/zinc/86/79/77/537867977.db2.gz UBSCCVCQHXEPTB-STQMWFEESA-N 1 1 228.380 1.466 40 0 BDABMO CC(C)(O)[C@H]1CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000082200734 345496647 /nfs/dbraw/zinc/49/66/47/345496647.db2.gz XCKSFBNJMCSRHO-SNVBAGLBSA-N 1 1 246.314 1.698 40 0 BDABMO Cc1ccccc1OC1CC[NH+](CC(N)=O)CC1 ZINC000072350990 179309783 /nfs/dbraw/zinc/30/97/83/179309783.db2.gz PLKVXWWZTCXVLV-UHFFFAOYSA-N 1 1 248.326 1.324 40 0 BDABMO Cc1nc([C@H]2CCC[N@@H+](C)C2)cc(N(C)C)n1 ZINC000072359937 180056313 /nfs/dbraw/zinc/05/63/13/180056313.db2.gz XAEUGDBPJNTPAQ-NSHDSACASA-N 1 1 234.347 1.660 40 0 BDABMO Cc1nc([C@H]2CCC[N@H+]2C)cc(N(C)C)n1 ZINC000257328902 180057250 /nfs/dbraw/zinc/05/72/50/180057250.db2.gz XHNQJICVNIGWNX-LLVKDONJSA-N 1 1 220.320 1.618 40 0 BDABMO Cc1ccc2c(c1)CCN2C(=O)C[NH+](C)C ZINC000221017321 350193134 /nfs/dbraw/zinc/19/31/34/350193134.db2.gz IBBZEULEXRFFKM-UHFFFAOYSA-N 1 1 218.300 1.446 40 0 BDABMO C[C@H]([NH3+])CCN1CCN(Cc2ccccc2)CC1 ZINC000037608816 350273677 /nfs/dbraw/zinc/27/36/77/350273677.db2.gz HDAJSXZPZQWEHC-AWEZNQCLSA-N 1 1 247.386 1.542 40 0 BDABMO COC(=O)[C@@H]([NH3+])CS[C@H](C)c1ccccc1 ZINC000031961657 350404417 /nfs/dbraw/zinc/40/44/17/350404417.db2.gz DRAOUSWITXPINA-KOLCDFICSA-N 1 1 239.340 1.981 40 0 BDABMO Cc1cn[nH]c1[C@@H]1COCCN1Cc1ncc[nH]1 ZINC000257224653 188020336 /nfs/dbraw/zinc/02/03/36/188020336.db2.gz FCTBZOWTMDYYRC-JTQLQIEISA-N 1 1 247.302 1.015 40 0 BDABMO Cc1c[nH]nc1[C@@H]1COCCN1Cc1cnc[nH]1 ZINC000257298379 188020361 /nfs/dbraw/zinc/02/03/61/188020361.db2.gz RLKBEXXUVVIRHG-NSHDSACASA-N 1 1 247.302 1.015 40 0 BDABMO O=C1C[C@]2(CN1)CCCC[N@H+]2CC1CC1 ZINC000306141608 188045843 /nfs/dbraw/zinc/04/58/43/188045843.db2.gz WCAQEUUVJFNFQU-LBPRGKRZSA-N 1 1 208.305 1.141 40 0 BDABMO O=C1CCC(=O)N1[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005382569 360486586 /nfs/dbraw/zinc/48/65/86/360486586.db2.gz UJZWYHABZLDLFD-QWRGUYRKSA-N 1 1 236.315 1.152 40 0 biogenic,in-vitro BDABMO c1nc(C[N@@H+]2CCC[C@H](c3cnccn3)C2)c[nH]1 ZINC000205678819 368357256 /nfs/dbraw/zinc/35/72/56/368357256.db2.gz VPZQEDYAPSVADA-NSHDSACASA-N 1 1 243.314 1.579 40 0 BDABMO c1nc(C[N@H+]2CCC[C@H](c3cnccn3)C2)c[nH]1 ZINC000205678819 368357259 /nfs/dbraw/zinc/35/72/59/368357259.db2.gz VPZQEDYAPSVADA-NSHDSACASA-N 1 1 243.314 1.579 40 0 BDABMO N[C@@H](C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000110763467 369977797 /nfs/dbraw/zinc/97/77/97/369977797.db2.gz GFVQRGJVAZDQEI-STQMWFEESA-N 1 1 220.316 1.143 40 0 BDABMO [NH3+][C@@H](CN1CCC[C@H]1CO)c1ccccc1 ZINC000110763467 369977800 /nfs/dbraw/zinc/97/78/00/369977800.db2.gz GFVQRGJVAZDQEI-STQMWFEESA-N 1 1 220.316 1.143 40 0 BDABMO O=C1CC[C@@]2(CCC[N@@H+](CC3CC3)CC2)N1 ZINC000096047478 182750988 /nfs/dbraw/zinc/75/09/88/182750988.db2.gz YPRDJHRFVNZYKL-CYBMUJFWSA-N 1 1 222.332 1.531 40 0 BDABMO OCC[N@H+](Cc1cnc(Cl)s1)C1CC1 ZINC000079421963 183069799 /nfs/dbraw/zinc/06/97/99/183069799.db2.gz OPAHXYOFJDRKBM-UHFFFAOYSA-N 1 1 232.736 1.753 40 0 BDABMO OCC[N@@H+](Cc1cnc(Cl)s1)C1CC1 ZINC000079421963 183069802 /nfs/dbraw/zinc/06/98/02/183069802.db2.gz OPAHXYOFJDRKBM-UHFFFAOYSA-N 1 1 232.736 1.753 40 0 BDABMO OCC[N@H+]1CCC[C@@H]1CCc1ccncc1 ZINC000257289103 183075441 /nfs/dbraw/zinc/07/54/41/183075441.db2.gz PWZGHFMXMPKTOM-CYBMUJFWSA-N 1 1 220.316 1.471 40 0 BDABMO OCCNCC[NH2+]Cc1cccc(Cl)c1 ZINC000023263505 183078232 /nfs/dbraw/zinc/07/82/32/183078232.db2.gz QSPQPDXQYALCRS-UHFFFAOYSA-N 1 1 228.723 1.012 40 0 BDABMO OC[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019375832 183153924 /nfs/dbraw/zinc/15/39/24/183153924.db2.gz SUKYWPRDGSUMNH-JTQLQIEISA-N 1 1 231.299 1.377 40 0 BDABMO OC[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019375832 183153926 /nfs/dbraw/zinc/15/39/26/183153926.db2.gz SUKYWPRDGSUMNH-JTQLQIEISA-N 1 1 231.299 1.377 40 0 BDABMO O[C@H](C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000071789969 183218405 /nfs/dbraw/zinc/21/84/05/183218405.db2.gz MIXKOCBGTXYXIY-HUUCEWRRSA-N 1 1 247.338 1.658 40 0 BDABMO O[C@H](C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000071789969 183218406 /nfs/dbraw/zinc/21/84/06/183218406.db2.gz MIXKOCBGTXYXIY-HUUCEWRRSA-N 1 1 247.338 1.658 40 0 BDABMO Cc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000088287571 383893551 /nfs/dbraw/zinc/89/35/51/383893551.db2.gz GDXVBWQLDBXIMD-ZIAGYGMSSA-N 1 1 216.328 1.646 40 0 BDABMO NC[C@H](c1cccnc1)[NH+]1CCCCCC1 ZINC000022171653 383991194 /nfs/dbraw/zinc/99/11/94/383991194.db2.gz UAAPPVMYDVRVQA-CYBMUJFWSA-N 1 1 219.332 1.957 40 0 BDABMO CN(CCO)C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393489 384134361 /nfs/dbraw/zinc/13/43/61/384134361.db2.gz TUQQZFCXMSRXLT-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@H+](CCO)C[C@H]1CCCN1Cc1ccccc1 ZINC000079393489 384134363 /nfs/dbraw/zinc/13/43/63/384134363.db2.gz TUQQZFCXMSRXLT-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@@H+](CCO)C[C@H]1CCCN1Cc1ccccc1 ZINC000079393489 384134365 /nfs/dbraw/zinc/13/43/65/384134365.db2.gz TUQQZFCXMSRXLT-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO CC(C)[N@H+](C)[C@@H]1CCCC[C@@H]1NCCO ZINC000079418522 384141832 /nfs/dbraw/zinc/14/18/32/384141832.db2.gz BKJJZGNQAKTVIZ-NWDGAFQWSA-N 1 1 214.353 1.220 40 0 BDABMO CC(C)[N@@H+](C)[C@@H]1CCCC[C@@H]1NCCO ZINC000079418522 384141840 /nfs/dbraw/zinc/14/18/40/384141840.db2.gz BKJJZGNQAKTVIZ-NWDGAFQWSA-N 1 1 214.353 1.220 40 0 BDABMO COc1ccc2c(c1)c1nc[nH+]c(NN)c1n2C ZINC000408712488 384179487 /nfs/dbraw/zinc/17/94/87/384179487.db2.gz UCJBGNNOKWOOEA-UHFFFAOYSA-N 1 1 243.270 1.416 40 0 BDABMO [NH3+][C@H]1C[C@]12CCCN(Cc1ccccc1)C2 ZINC000076645998 384233507 /nfs/dbraw/zinc/23/35/07/384233507.db2.gz HRHOQWHMSDKGIB-KBPBESRZSA-N 1 1 216.328 2.000 40 0 BDABMO CC(C)[N@H+]1CCC[C@H](c2cc(CCO)n[nH]2)C1 ZINC000072381383 384216430 /nfs/dbraw/zinc/21/64/30/384216430.db2.gz UKCXFCRMNMARLP-NSHDSACASA-N 1 1 237.347 1.532 40 0 BDABMO CC(C)[N@@H+]1CCC[C@H](c2cc(CCO)[nH]n2)C1 ZINC000072381383 384216441 /nfs/dbraw/zinc/21/64/41/384216441.db2.gz UKCXFCRMNMARLP-NSHDSACASA-N 1 1 237.347 1.532 40 0 BDABMO CC(C)[N@H+]1CCC[C@H](c2cc(CCO)[nH]n2)C1 ZINC000072381383 384216449 /nfs/dbraw/zinc/21/64/49/384216449.db2.gz UKCXFCRMNMARLP-NSHDSACASA-N 1 1 237.347 1.532 40 0 BDABMO Cc1c[nH]nc1[C@H]1C[N@H+](CC2CC2)CCO1 ZINC000072383328 384219025 /nfs/dbraw/zinc/21/90/25/384219025.db2.gz BEKLCRHJLLFTPF-LLVKDONJSA-N 1 1 221.304 1.501 40 0 BDABMO Cc1c[nH]nc1[C@H]1C[N@@H+](CC2CC2)CCO1 ZINC000072383328 384219031 /nfs/dbraw/zinc/21/90/31/384219031.db2.gz BEKLCRHJLLFTPF-LLVKDONJSA-N 1 1 221.304 1.501 40 0 BDABMO Cn1cc[nH+]c1C[C@H]1CCCN1c1ncccn1 ZINC000072382338 384219940 /nfs/dbraw/zinc/21/99/40/384219940.db2.gz NPCSYMWDSKTXRP-LLVKDONJSA-N 1 1 243.314 1.422 40 0 BDABMO C[N@@H+](Cc1ccccc1)C1CCN(CCO)CC1 ZINC000083318805 384288985 /nfs/dbraw/zinc/28/89/85/384288985.db2.gz KADJOZPZGAUREF-UHFFFAOYSA-N 1 1 248.370 1.575 40 0 BDABMO Cc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)c(C)c1 ZINC000000203660 384380370 /nfs/dbraw/zinc/38/03/70/384380370.db2.gz PMRCTNJGDMXAPA-UHFFFAOYSA-N 1 1 245.330 1.489 40 0 BDABMO CCOC[C@@H]1c2c(ncn2C)CC[N@@H+]1CC1CC1 ZINC000096260281 384447069 /nfs/dbraw/zinc/44/70/69/384447069.db2.gz HITCERALPFOPJV-CYBMUJFWSA-N 1 1 249.358 1.766 40 0 BDABMO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@@H+]2Cc1ccncc1 ZINC000096057765 384431146 /nfs/dbraw/zinc/43/11/46/384431146.db2.gz QIBXBTLMILGEOL-BFHYXJOUSA-N 1 1 248.326 1.460 40 0 BDABMO CO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2Cc1ccncc1 ZINC000096057765 384431154 /nfs/dbraw/zinc/43/11/54/384431154.db2.gz QIBXBTLMILGEOL-BFHYXJOUSA-N 1 1 248.326 1.460 40 0 BDABMO COC[C@@]12CCCO[C@H]1CC[N@@H+](CC1CC1)C2 ZINC000096056769 384432535 /nfs/dbraw/zinc/43/25/35/384432535.db2.gz UDHXMYVILOGCFL-KBPBESRZSA-N 1 1 239.359 1.914 40 0 BDABMO CCOC[C@@H]1C[N@H+](C(C)C)Cc2nnn(C)c21 ZINC000096198521 384443153 /nfs/dbraw/zinc/44/31/53/384443153.db2.gz ZFZUHYPCCNXJJE-JTQLQIEISA-N 1 1 238.335 1.159 40 0 BDABMO O=C(C1CCC1)N1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC000096202657 384443310 /nfs/dbraw/zinc/44/33/10/384443310.db2.gz NTXLTPCKYMVSRS-UHFFFAOYSA-N 1 1 248.370 1.731 40 0 BDABMO Cc1cc([C@H](C)[NH3+])cnc1N1CCN(C)CC1 ZINC000072222566 385109979 /nfs/dbraw/zinc/10/99/79/385109979.db2.gz ONINHSPBRLVUOS-NSHDSACASA-N 1 1 234.347 1.162 40 0 BDABMO C=Cc1c[nH+]c(N2CCOCC2)cc1C ZINC000072223561 385112641 /nfs/dbraw/zinc/11/26/41/385112641.db2.gz GDRDEGOLDNUWPV-UHFFFAOYSA-N 1 1 204.273 1.870 40 0 BDABMO CC[C@H]([NH3+])c1cnc(N2CCN(C)CC2)cc1C ZINC000072223609 385115388 /nfs/dbraw/zinc/11/53/88/385115388.db2.gz VYWCIOIEERXUSL-ZDUSSCGKSA-N 1 1 248.374 1.552 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216147 385095245 /nfs/dbraw/zinc/09/52/45/385095245.db2.gz RANFLFIXFQBPPO-CYBMUJFWSA-N 1 1 247.342 1.685 40 0 BDABMO Cn1cccc1-c1nc([C@H]2CCCC[NH2+]2)no1 ZINC000096511463 385252008 /nfs/dbraw/zinc/25/20/08/385252008.db2.gz MNRBFQOWGZMKEK-SECBINFHSA-N 1 1 232.287 1.890 40 0 BDABMO C[NH+](C)CC(=O)Nc1ccc(Cl)cc1N ZINC000008732430 385268113 /nfs/dbraw/zinc/26/81/13/385268113.db2.gz RHFQLIWHYXSSBG-UHFFFAOYSA-N 1 1 227.695 1.422 40 0 BDABMO C[C@@H]([NH3+])CCN1CCc2ccccc2C1 ZINC000037401867 385642244 /nfs/dbraw/zinc/64/22/44/385642244.db2.gz BNCZXIZSYAGCLA-LLVKDONJSA-N 1 1 204.317 1.782 40 0 BDABMO Cn1c[nH+]cc1[C@@H]1CCCN(c2cnccn2)C1 ZINC000257277450 385757263 /nfs/dbraw/zinc/75/72/63/385757263.db2.gz NYAQETCZSSIJDD-LLVKDONJSA-N 1 1 243.314 1.594 40 0 BDABMO c1cc([C@@H]2CCN(Cc3cncnc3)C2)n[nH]1 ZINC000257335315 385764328 /nfs/dbraw/zinc/76/43/28/385764328.db2.gz YJQHYZPTYGZSCU-LLVKDONJSA-N 1 1 229.287 1.189 40 0 BDABMO N[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000218870519 386352747 /nfs/dbraw/zinc/35/27/47/386352747.db2.gz PKAFNOZHKZAREC-OLZOCXBDSA-N 1 1 204.317 1.699 40 0 BDABMO NC[C@@H](c1ccccn1)[NH+]1CCCCCC1 ZINC000019395042 386958965 /nfs/dbraw/zinc/95/89/65/386958965.db2.gz LQKHGGQOGXXYGW-ZDUSSCGKSA-N 1 1 219.332 1.957 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1cccs1 ZINC000242575127 387674555 /nfs/dbraw/zinc/67/45/55/387674555.db2.gz NSVKEPSAPPWVRX-RKDXNWHRSA-N 1 1 225.313 1.566 40 0 BDABMO CCN(CC)CC[NH2+]Cc1cnn(CC)c1 ZINC000050539413 387847259 /nfs/dbraw/zinc/84/72/59/387847259.db2.gz WUHSXHFSSXHIGA-UHFFFAOYSA-N 1 1 224.352 1.334 40 0 BDABMO CCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000038538724 388371543 /nfs/dbraw/zinc/37/15/43/388371543.db2.gz LZWZFWYFQFLVAX-CYBMUJFWSA-N 1 1 205.301 1.816 40 0 BDABMO CCC[C@@H]1C[C@@H](O)C[N@H+]1CCOCC ZINC000217877282 388382529 /nfs/dbraw/zinc/38/25/29/388382529.db2.gz GPEHGFXDSBXEBE-GHMZBOCLSA-N 1 1 201.310 1.258 40 0 BDABMO CCc1nnc([C@@H]([NH3+])CCSC)o1 ZINC000072210631 172065004 /nfs/dbraw/zinc/06/50/04/172065004.db2.gz RYAZSLCXSBEQQP-LURJTMIESA-N 1 1 201.295 1.385 40 0 BDABMO CC[NH+](CC)[C@](C)(CC)[C@@H](CN)CO ZINC000072210355 322906053 /nfs/dbraw/zinc/90/60/53/322906053.db2.gz MLFOMDOARNOWFZ-WDEREUQCSA-N 1 1 202.342 1.064 40 0 BDABMO CC(C)OCCC[NH2+][C@@H]1CCCC[C@@H]1N ZINC000218857060 167224395 /nfs/dbraw/zinc/22/43/95/167224395.db2.gz WEZFGFVFJDXANV-NWDGAFQWSA-N 1 1 214.353 1.661 40 0 BDABMO CC1=C[C@@H](Cc2ccccc2)[N@H+](C)[C@H](C(N)=O)C1 ZINC000005495712 168125402 /nfs/dbraw/zinc/12/54/02/168125402.db2.gz FUWGAYHVUGNBGY-KBPBESRZSA-N 1 1 244.338 1.733 40 0 BDABMO CC1=C[C@H](Cc2ccccc2)[N@H+](C)[C@H](C(N)=O)C1 ZINC000001581127 168132376 /nfs/dbraw/zinc/13/23/76/168132376.db2.gz FUWGAYHVUGNBGY-KGLIPLIRSA-N 1 1 244.338 1.733 40 0 BDABMO CCNc1nc(NCC)[nH+]c(NC(C)C)n1 ZINC000002011064 170176856 /nfs/dbraw/zinc/17/68/56/170176856.db2.gz ANCXQLFAWHZRLK-UHFFFAOYSA-N 1 1 224.312 1.556 40 0 BDABMO CCOC(=O)[C@@H]([NH3+])Cc1cccc(F)c1 ZINC000033789039 170253314 /nfs/dbraw/zinc/25/33/14/170253314.db2.gz GUJHMYPTDMVWHD-JTQLQIEISA-N 1 1 211.236 1.259 40 0 BDABMO CCn1ncc(C[N@H+]2CCC[C@@H](O)C2)c1C ZINC000072397795 172255231 /nfs/dbraw/zinc/25/52/31/172255231.db2.gz WLKLPPPHQXKGSY-GFCCVEGCSA-N 1 1 223.320 1.168 40 0 BDABMO CCn1nccc1-c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000096511455 172257016 /nfs/dbraw/zinc/25/70/16/172257016.db2.gz KVRUJMXYKWNAJU-VIFPVBQESA-N 1 1 247.302 1.768 40 0 BDABMO CN(C)C(=O)Oc1ncccc1[C@H]1CCC[N@H+]1C ZINC000002046769 172383886 /nfs/dbraw/zinc/38/38/86/172383886.db2.gz CXBVRHNOFNLISC-LLVKDONJSA-N 1 1 249.314 1.909 40 0 BDABMO C[N@H+]1CCC[C@@H](Oc2ccncc2N)C1 ZINC000096526674 173022552 /nfs/dbraw/zinc/02/25/52/173022552.db2.gz DALQVUQLIZHRTO-SECBINFHSA-N 1 1 207.277 1.137 40 0 BDABMO CN(C)c1cc(C[C@H]2CCC[N@@H+](C)C2)ncn1 ZINC000072381288 173040367 /nfs/dbraw/zinc/04/03/67/173040367.db2.gz BGOROEKWRGCGHK-LLVKDONJSA-N 1 1 234.347 1.427 40 0 BDABMO CN(C)c1cccc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072381281 173047387 /nfs/dbraw/zinc/04/73/87/173047387.db2.gz YONCOEFAOFFNFI-NSHDSACASA-N 1 1 219.332 1.957 40 0 BDABMO CN1CC[C@@](O)(C[NH3+])c2cc(Cl)ccc2C1 ZINC000096510468 173136818 /nfs/dbraw/zinc/13/68/18/173136818.db2.gz UUVQAPQCALPMKU-GFCCVEGCSA-N 1 1 240.734 1.322 40 0 BDABMO C[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](CO)C1 ZINC000217672449 173182634 /nfs/dbraw/zinc/18/26/34/173182634.db2.gz PMTYDJRHJNLFNW-JQWIXIFHSA-N 1 1 209.264 1.463 40 0 BDABMO C[N@@H+]1C[C@@H](c2ccccc2Cl)[C@H](CO)C1 ZINC000217672641 173183158 /nfs/dbraw/zinc/18/31/58/173183158.db2.gz DDZZQUCYKMUZND-GXSJLCMTSA-N 1 1 225.719 1.978 40 0 BDABMO CNC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000026895578 173299777 /nfs/dbraw/zinc/29/97/77/173299777.db2.gz FXFVVDRBBMRQTI-GFCCVEGCSA-N 1 1 218.300 1.255 40 0 BDABMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832075 173306715 /nfs/dbraw/zinc/30/67/15/173306715.db2.gz KSPKXQPGGJTNJE-ZDUSSCGKSA-N 1 1 232.327 1.645 40 0 BDABMO C[NH2+]CCCNCc1ccc(OC)c(OC)c1 ZINC000057362418 173349961 /nfs/dbraw/zinc/34/99/61/173349961.db2.gz UOKZNFCQBALTDC-UHFFFAOYSA-N 1 1 238.331 1.403 40 0 BDABMO COCC[N@@H+]1CCC[C@@H]1c1nc(C)c[nH]1 ZINC000257264753 174307227 /nfs/dbraw/zinc/30/72/27/174307227.db2.gz LVXDBRAOKLPKMX-SNVBAGLBSA-N 1 1 209.293 1.501 40 0 BDABMO COCC[N@H+]1CCC[C@@H]1c1nc(C)c[nH]1 ZINC000257264753 174307228 /nfs/dbraw/zinc/30/72/28/174307228.db2.gz LVXDBRAOKLPKMX-SNVBAGLBSA-N 1 1 209.293 1.501 40 0 BDABMO COCC[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072357043 174308485 /nfs/dbraw/zinc/30/84/85/174308485.db2.gz ONRMONHXZDWTEG-JTQLQIEISA-N 1 1 209.293 1.236 40 0 BDABMO COCC[N@@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072357043 174308486 /nfs/dbraw/zinc/30/84/86/174308486.db2.gz ONRMONHXZDWTEG-JTQLQIEISA-N 1 1 209.293 1.236 40 0 BDABMO COCC[N@H+]1CCC[C@H](c2ccn[nH]2)C1 ZINC000072357043 174308488 /nfs/dbraw/zinc/30/84/88/174308488.db2.gz ONRMONHXZDWTEG-JTQLQIEISA-N 1 1 209.293 1.236 40 0 BDABMO COCC[N@H+]1CC[C@@H](c2ccnc(C)n2)C1 ZINC000072381564 174312625 /nfs/dbraw/zinc/31/26/25/174312625.db2.gz SXCZHZHWVFXRCT-LLVKDONJSA-N 1 1 221.304 1.221 40 0 BDABMO COCC[N@H+]1CCc2cc(N)ccc2C1 ZINC000117624976 174316409 /nfs/dbraw/zinc/31/64/09/174316409.db2.gz MNNGZDYGFVCNND-UHFFFAOYSA-N 1 1 206.289 1.273 40 0 BDABMO COc1cc2c(cc1O)[C@H](O)C[N@H+](C)[C@H]2C ZINC000003847403 175023677 /nfs/dbraw/zinc/02/36/77/175023677.db2.gz QYKJYRWPFATDSA-WRWORJQWSA-N 1 1 223.272 1.441 40 0 BDABMO COc1cc2c(cc1O)[C@H](O)C[N@@H+](C)[C@H]2C ZINC000003847403 175023679 /nfs/dbraw/zinc/02/36/79/175023679.db2.gz QYKJYRWPFATDSA-WRWORJQWSA-N 1 1 223.272 1.441 40 0 BDABMO COc1ccc(CC[NH2+][C@@H]2CCC[C@H]2N)cc1 ZINC000218873279 175091827 /nfs/dbraw/zinc/09/18/27/175091827.db2.gz DBCVSLJONOHOAC-ZIAGYGMSSA-N 1 1 234.343 1.707 40 0 BDABMO COc1ccc(F)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000038539918 175124654 /nfs/dbraw/zinc/12/46/54/175124654.db2.gz LOKFOJFUQSOJGZ-NSHDSACASA-N 1 1 239.290 1.791 40 0 BDABMO COc1ccc(F)c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000038539918 175124656 /nfs/dbraw/zinc/12/46/56/175124656.db2.gz LOKFOJFUQSOJGZ-NSHDSACASA-N 1 1 239.290 1.791 40 0 BDABMO COc1ccc([C@@H]2C[N@@H+](C)C[C@@H]2CO)cc1 ZINC000217673860 175183952 /nfs/dbraw/zinc/18/39/52/175183952.db2.gz KUYYGVJYJPSSMR-YPMHNXCESA-N 1 1 221.300 1.333 40 0 BDABMO COc1ccc2c(c1)OCC[C@@]21COCC[NH2+]1 ZINC000306145848 175212587 /nfs/dbraw/zinc/21/25/87/175212587.db2.gz SJFGPMLWQKBOHC-CYBMUJFWSA-N 1 1 235.283 1.293 40 0 BDABMO COc1ccc2c(c1)[C@@H]1CC[N@H+](C)C[C@H]1OC2=O ZINC000001859129 175215115 /nfs/dbraw/zinc/21/51/15/175215115.db2.gz WBFWVYNWPVTOGL-GXFFZTMASA-N 1 1 247.294 1.653 40 0 BDABMO COc1cccc2c1C[C@@H](CO)[N@@H+](C)C2 ZINC000095470432 175303413 /nfs/dbraw/zinc/30/34/13/175303413.db2.gz KONKAKAQKXKOCP-JTQLQIEISA-N 1 1 207.273 1.044 40 0 BDABMO COc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000038538711 175327681 /nfs/dbraw/zinc/32/76/81/175327681.db2.gz IXGUDVWQYVCUHK-NSHDSACASA-N 1 1 207.273 1.262 40 0 BDABMO C[C@@H](c1nccs1)[NH+]1CCC(O)CC1 ZINC000095147652 176039736 /nfs/dbraw/zinc/03/97/36/176039736.db2.gz GAMJMTZMPWCUPC-QMMMGPOBSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@H]([C@H]([NH3+])c1ccccc1F)S(C)(=O)=O ZINC000096524784 177031204 /nfs/dbraw/zinc/03/12/04/177031204.db2.gz QXIPBQJHLJBOJM-XCBNKYQSSA-N 1 1 231.292 1.259 40 0 BDABMO C[C@H]1CNCC[N@@H+]1CCc1ccccc1 ZINC000041213217 177284089 /nfs/dbraw/zinc/28/40/89/177284089.db2.gz AIBKALAREQBOCN-LBPRGKRZSA-N 1 1 204.317 1.523 40 0 BDABMO C[C@H]1CNCC[N@H+]1CCc1ccccc1 ZINC000041213217 177284091 /nfs/dbraw/zinc/28/40/91/177284091.db2.gz AIBKALAREQBOCN-LBPRGKRZSA-N 1 1 204.317 1.523 40 0 BDABMO OCC1(C[N@H+]2CCc3ccsc3C2)COC1 ZINC000132718996 325240695 /nfs/dbraw/zinc/24/06/95/325240695.db2.gz PMKLQJSVVMBTFP-UHFFFAOYSA-N 1 1 239.340 1.115 40 0 BDABMO [NH3+][C@H]1C(=O)N(C2CC2)[C@H]1c1ccccc1F ZINC000256054379 487555629 /nfs/dbraw/zinc/55/56/29/487555629.db2.gz WATCUMHQUXYMLA-MNOVXSKESA-N 1 1 220.247 1.199 40 0 BDABMO CN(N)c1cc(Br)cc[nH+]1 ZINC000199544852 523619881 /nfs/dbraw/zinc/61/98/81/523619881.db2.gz IATOOGCOVRCROI-UHFFFAOYSA-N 1 1 202.055 1.154 40 0 BDABMO NC(=[NH2+])Nc1nc2ccc(C(F)(F)F)cc2[nH]1 ZINC000143722813 526817677 /nfs/dbraw/zinc/81/76/77/526817677.db2.gz CAQWXZBFTPUOIB-UHFFFAOYSA-N 1 1 243.192 1.887 40 0 BDABMO COc1ccc2c(c1C)C[N@H+](C)C[C@H]2O ZINC000261828408 537020755 /nfs/dbraw/zinc/02/07/55/537020755.db2.gz NMWZMHMUHNQISD-LLVKDONJSA-N 1 1 207.273 1.482 40 0 BDABMO Cc1cc(C)c(C(=O)N2CC[NH+](C)CC2)cc1C ZINC000074951583 398211460 /nfs/dbraw/zinc/21/14/60/398211460.db2.gz GLMQSXPTNJNESC-UHFFFAOYSA-N 1 1 246.354 1.999 40 0 BDABMO Cc1[nH+]c2cc(C)c(N)cc2n1CCO ZINC000223770818 178302283 /nfs/dbraw/zinc/30/22/83/178302283.db2.gz KSSKWLAITFAGAA-UHFFFAOYSA-N 1 1 205.261 1.228 40 0 BDABMO C[C@H](CCc1ccccc1)NC1=[NH+]CCO1 ZINC000006443021 342777902 /nfs/dbraw/zinc/77/79/02/342777902.db2.gz LMZBCBIEZJGBHU-LLVKDONJSA-N 1 1 218.300 1.984 40 0 BDABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2C)cc1 ZINC000072228290 259323132 /nfs/dbraw/zinc/32/31/32/259323132.db2.gz ROAVTEYLLCLWHX-WDEREUQCSA-N 1 1 204.273 1.089 40 0 BDABMO CCOC[C@H]1C[N@@H+](CC2CC2)Cc2cn(C)nc21 ZINC000096059849 398312366 /nfs/dbraw/zinc/31/23/66/398312366.db2.gz DBQLZFFUHHPVPM-CYBMUJFWSA-N 1 1 249.358 1.766 40 0 BDABMO Cc1ccc([C@@H]2C[N@@H+](C)C[C@H]2CO)cc1 ZINC000217671440 398322855 /nfs/dbraw/zinc/32/28/55/398322855.db2.gz GYBGIDIQZMAAIP-STQMWFEESA-N 1 1 205.301 1.633 40 0 BDABMO C[NH+](C)Cc1cc(N)n(Cc2ccccc2)n1 ZINC000026512167 192055780 /nfs/dbraw/zinc/05/57/80/192055780.db2.gz XNDFKJTUIAFBEQ-UHFFFAOYSA-N 1 1 230.315 1.575 40 0 BDABMO [NH3+]CC(=O)c1ccc(OCC(F)(F)F)cc1 ZINC000040544275 342973755 /nfs/dbraw/zinc/97/37/55/342973755.db2.gz DFNCXENRXWVYNA-UHFFFAOYSA-N 1 1 233.189 1.769 40 0 BDABMO CC[NH+](CC)CCCN[C@H](C)CC(=O)OC ZINC000035748328 343303575 /nfs/dbraw/zinc/30/35/75/343303575.db2.gz PNJXAWZCKGXWGB-LLVKDONJSA-N 1 1 230.352 1.260 40 0 BDABMO COC(=O)[C@@H]([NH3+])CCCc1ccccc1 ZINC000038866986 343407978 /nfs/dbraw/zinc/40/79/78/343407978.db2.gz XUHINRSSRAMEHK-NSHDSACASA-N 1 1 207.273 1.510 40 0 BDABMO CC(=O)N1CCCC[C@H]1C[N@H+](CCO)C(C)C ZINC000079405423 187263425 /nfs/dbraw/zinc/26/34/25/187263425.db2.gz SYJMBZSGIUGZJF-ZDUSSCGKSA-N 1 1 242.363 1.090 40 0 BDABMO C[NH2+][C@H](CN)c1cccc(C(F)(F)F)c1 ZINC000050269799 259369989 /nfs/dbraw/zinc/36/99/89/259369989.db2.gz FDFWOTYUZMZRFR-SECBINFHSA-N 1 1 218.222 1.925 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000096526051 343760104 /nfs/dbraw/zinc/76/01/04/343760104.db2.gz YZXKRKDHOQOFIU-ZJUUUORDSA-N 1 1 224.691 1.571 40 0 BDABMO Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1C ZINC000038538878 343783466 /nfs/dbraw/zinc/78/34/66/343783466.db2.gz ZYXHHHMIXGLBHF-ZDUSSCGKSA-N 1 1 205.301 1.870 40 0 BDABMO Cc1nn(C)cc1C[N@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000072383360 187276684 /nfs/dbraw/zinc/27/66/84/187276684.db2.gz SEFPCQQQNSYGLB-LLVKDONJSA-N 1 1 245.330 1.441 40 0 BDABMO COC(=O)[C@]1([NH3+])CCc2cc(F)ccc2C1 ZINC000026896458 537835158 /nfs/dbraw/zinc/83/51/58/537835158.db2.gz NNEOWIRRVOVGTQ-LBPRGKRZSA-N 1 1 223.247 1.185 40 0 BDABMO C[C@@]12CC[N@@H+](CC3CC3)[C@@H]1CCCCC(=O)N2 ZINC000019695468 347031848 /nfs/dbraw/zinc/03/18/48/347031848.db2.gz ZKJVMRGETFDCJU-TZMCWYRMSA-N 1 1 236.359 1.920 40 0 BDABMO CC(=O)N[C@H]1CC[C@H]([N@H+](CCN)C(C)C)CC1 ZINC000100178636 187361775 /nfs/dbraw/zinc/36/17/75/187361775.db2.gz GDNVSMPNPIXIRI-BETUJISGSA-N 1 1 241.379 1.103 40 0 BDABMO COC(=O)[C@H]([NH3+])Cc1c[nH]c2cc(OC)ccc12 ZINC000034206561 346224986 /nfs/dbraw/zinc/22/49/86/346224986.db2.gz KOLLGWLALPFQSZ-LLVKDONJSA-N 1 1 248.282 1.219 40 0 BDABMO Cc1cccc(C(=S)N2CC[NH+](C)CC2)c1 ZINC000013547778 179026716 /nfs/dbraw/zinc/02/67/16/179026716.db2.gz KODBXAWYTNSNIU-UHFFFAOYSA-N 1 1 234.368 1.918 40 0 BDABMO O=C1CC[C@]2(c3ccc(Cl)cc3)[NH2+]CCN12 ZINC000019947182 347517402 /nfs/dbraw/zinc/51/74/02/347517402.db2.gz VLZCBQMHBHVZGD-LBPRGKRZSA-N 1 1 236.702 1.718 40 0 BDABMO O=C1CC[C@@]2(c3ccc(Cl)cc3)[NH2+]CCN12 ZINC000019947178 347517657 /nfs/dbraw/zinc/51/76/57/347517657.db2.gz VLZCBQMHBHVZGD-GFCCVEGCSA-N 1 1 236.702 1.718 40 0 BDABMO Cc1ccnc([C@@H]2CC[N@H+](C3CCOCC3)C2)n1 ZINC000205694508 348576179 /nfs/dbraw/zinc/57/61/79/348576179.db2.gz KKDGWUWEHBQSKJ-GFCCVEGCSA-N 1 1 247.342 1.753 40 0 BDABMO Cc1nc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1C ZINC000095534065 180039274 /nfs/dbraw/zinc/03/92/74/180039274.db2.gz XWMZVCOFDJPNSU-JTQLQIEISA-N 1 1 236.706 1.825 40 0 BDABMO Cc1nc([C@H]([NH3+])c2ccc(F)cc2)nn1C ZINC000095533372 180052974 /nfs/dbraw/zinc/05/29/74/180052974.db2.gz FHDAQDDEULFJNN-SNVBAGLBSA-N 1 1 220.251 1.311 40 0 BDABMO Cc1nc([C@H]2CCC[N@@H+]2C2CCOCC2)no1 ZINC000072357355 180057646 /nfs/dbraw/zinc/05/76/46/180057646.db2.gz ZKTKSKRAVFRFBX-LLVKDONJSA-N 1 1 237.303 1.694 40 0 BDABMO Cc1nc([C@H]2CCC[N@H+]2C2CCOCC2)no1 ZINC000072357355 180057648 /nfs/dbraw/zinc/05/76/48/180057648.db2.gz ZKTKSKRAVFRFBX-LLVKDONJSA-N 1 1 237.303 1.694 40 0 BDABMO C[N@@H+](CC1(O)CCCCC1)[C@H]1CCCC[C@@H]1O ZINC000134069805 353261380 /nfs/dbraw/zinc/26/13/80/353261380.db2.gz RPODDEPOTXLBCZ-STQMWFEESA-N 1 1 241.375 1.917 40 0 BDABMO Fc1cccc(O[C@@H]2C[C@@H]3CNCC[N@@H+]3C2)c1 ZINC000107915974 181003083 /nfs/dbraw/zinc/00/30/83/181003083.db2.gz NOXHOBVVJWJJLT-DGCLKSJQSA-N 1 1 236.290 1.251 40 0 BDABMO Fc1cccc(O[C@@H]2C[C@@H]3CNCC[N@H+]3C2)c1 ZINC000107915974 181003084 /nfs/dbraw/zinc/00/30/84/181003084.db2.gz NOXHOBVVJWJJLT-DGCLKSJQSA-N 1 1 236.290 1.251 40 0 BDABMO Nc1cc(OCc2ccccc2)[nH+]c(N)n1 ZINC000013602291 355876470 /nfs/dbraw/zinc/87/64/70/355876470.db2.gz MVIHQMTVQZOYCE-UHFFFAOYSA-N 1 1 216.244 1.220 40 0 BDABMO C[C@H](C1CC1)[N@@H+](C1CC1)[C@@H]1CNCC[C@@]1(C)O ZINC000685936119 538756231 /nfs/dbraw/zinc/75/62/31/538756231.db2.gz FYAXTXJNIYAOCQ-LERXQTSPSA-N 1 1 238.375 1.362 40 0 BDABMO C[C@H](C1CC1)N(C1CC1)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000685936119 538756235 /nfs/dbraw/zinc/75/62/35/538756235.db2.gz FYAXTXJNIYAOCQ-LERXQTSPSA-N 1 1 238.375 1.362 40 0 BDABMO CN1CCN(c2ncccc2[C@H]2CCC[NH2+]2)CC1 ZINC000072216565 259528291 /nfs/dbraw/zinc/52/82/91/259528291.db2.gz WBKGAXLFHIQAHS-CYBMUJFWSA-N 1 1 246.358 1.258 40 0 BDABMO C[C@@H](O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000165049453 368352475 /nfs/dbraw/zinc/35/24/75/368352475.db2.gz RDPBSGJIEIFTMG-DGCLKSJQSA-N 1 1 221.300 1.268 40 0 BDABMO C[C@@H](O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000165049453 368352479 /nfs/dbraw/zinc/35/24/79/368352479.db2.gz RDPBSGJIEIFTMG-DGCLKSJQSA-N 1 1 221.300 1.268 40 0 BDABMO c1nc(C[N@@H+]2CCC[C@@H](c3cnccn3)C2)c[nH]1 ZINC000205678805 368356078 /nfs/dbraw/zinc/35/60/78/368356078.db2.gz VPZQEDYAPSVADA-LLVKDONJSA-N 1 1 243.314 1.579 40 0 BDABMO c1nc(C[N@H+]2CCC[C@@H](c3cnccn3)C2)c[nH]1 ZINC000205678805 368356085 /nfs/dbraw/zinc/35/60/85/368356085.db2.gz VPZQEDYAPSVADA-LLVKDONJSA-N 1 1 243.314 1.579 40 0 BDABMO CN(C)C(=O)c1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000205697300 368358486 /nfs/dbraw/zinc/35/84/86/368358486.db2.gz WBKCULCXKRRTJW-GFCCVEGCSA-N 1 1 233.315 1.550 40 0 BDABMO CN(C)C(=O)C[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000205701021 368360189 /nfs/dbraw/zinc/36/01/89/368360189.db2.gz ZVUDSIYLERMVKA-LBPRGKRZSA-N 1 1 247.342 1.349 40 0 BDABMO CC(C)(C)N1C(=O)[C@H]([NH3+])[C@@H]1c1ccccc1F ZINC000256050665 370634780 /nfs/dbraw/zinc/63/47/80/370634780.db2.gz GBEPZEFDCBRQMQ-MNOVXSKESA-N 1 1 236.290 1.835 40 0 BDABMO CCc1nnc([C@@H]([NH3+])c2cccc(OC)c2)[nH]1 ZINC000095533589 371302277 /nfs/dbraw/zinc/30/22/77/371302277.db2.gz CMNJASPKJZPSCU-NSHDSACASA-N 1 1 232.287 1.424 40 0 BDABMO CC(C)(C)OC(=O)[C@@H](N)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000242750692 372291935 /nfs/dbraw/zinc/29/19/35/372291935.db2.gz ZWDZXQXFUGOWAX-AEJSXWLSSA-N 1 1 228.336 1.173 40 0 BDABMO O[C@@H]1CC[N@@H+]([C@@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200042 183199481 /nfs/dbraw/zinc/19/94/81/183199481.db2.gz YGNNPJYPCIQFKX-QLFBSQMISA-N 1 1 247.338 1.453 40 0 BDABMO c1cc([C@H]2CCC[N@@H+](C3CCOCC3)C2)n[nH]1 ZINC000072381923 183361869 /nfs/dbraw/zinc/36/18/69/183361869.db2.gz WYZYXDBMWZCZAM-NSHDSACASA-N 1 1 235.331 1.768 40 0 BDABMO c1cc([C@H]2CCC[N@H+](C3CCOCC3)C2)[nH]n1 ZINC000072381923 183361870 /nfs/dbraw/zinc/36/18/70/183361870.db2.gz WYZYXDBMWZCZAM-NSHDSACASA-N 1 1 235.331 1.768 40 0 BDABMO c1cc([C@H]2CCC[N@@H+](C3CCOCC3)C2)[nH]n1 ZINC000072381923 183361873 /nfs/dbraw/zinc/36/18/73/183361873.db2.gz WYZYXDBMWZCZAM-NSHDSACASA-N 1 1 235.331 1.768 40 0 BDABMO Cc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000088287573 383892931 /nfs/dbraw/zinc/89/29/31/383892931.db2.gz GDXVBWQLDBXIMD-KBPBESRZSA-N 1 1 216.328 1.646 40 0 BDABMO CCCC[N@H+](CC)C[C@H](O)CNC1CC1 ZINC000034978515 384009541 /nfs/dbraw/zinc/00/95/41/384009541.db2.gz HFRCFHDXTUFJHP-GFCCVEGCSA-N 1 1 214.353 1.221 40 0 BDABMO CCCC[N@@H+](CC)C[C@H](O)CNC1CC1 ZINC000034978515 384009547 /nfs/dbraw/zinc/00/95/47/384009547.db2.gz HFRCFHDXTUFJHP-GFCCVEGCSA-N 1 1 214.353 1.221 40 0 BDABMO c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CNC3)cc1 ZINC000038846440 384093428 /nfs/dbraw/zinc/09/34/28/384093428.db2.gz KQCFTYDLIJTKLE-BETUJISGSA-N 1 1 202.301 1.623 40 0 BDABMO c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CNC3)cc1 ZINC000038846440 384093435 /nfs/dbraw/zinc/09/34/35/384093435.db2.gz KQCFTYDLIJTKLE-BETUJISGSA-N 1 1 202.301 1.623 40 0 BDABMO OCC[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393480 384132216 /nfs/dbraw/zinc/13/22/16/384132216.db2.gz FRALCQXAZQYWSC-OAHLLOKOSA-N 1 1 248.370 1.481 40 0 BDABMO Cn1c2ccccc2c2nc[nH+]c(NN)c21 ZINC000408712507 384179974 /nfs/dbraw/zinc/17/99/74/384179974.db2.gz YQZNLOXUJQGLBI-UHFFFAOYSA-N 1 1 213.244 1.407 40 0 BDABMO C[N@H+](Cc1ccccc1)Cc1cc(=O)[nH]c(=O)[nH]1 ZINC000408731657 384204818 /nfs/dbraw/zinc/20/48/18/384204818.db2.gz OMVYNGIWKYCWOO-UHFFFAOYSA-N 1 1 245.282 1.520 40 0 BDABMO CC(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000072381524 384216909 /nfs/dbraw/zinc/21/69/09/384216909.db2.gz YEMAGPHALYMGPI-UHFFFAOYSA-N 1 1 221.304 1.221 40 0 BDABMO Cc1ccc(C[C@H]2CCC[N@@H+](CCO)C2)nc1 ZINC000072381361 384217100 /nfs/dbraw/zinc/21/71/00/384217100.db2.gz JYZRDLACBYNHKP-CYBMUJFWSA-N 1 1 234.343 1.637 40 0 BDABMO Cn1ccnc1C[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000072381942 384220021 /nfs/dbraw/zinc/22/00/21/384220021.db2.gz ICIQXDBUKQZMMQ-LBPRGKRZSA-N 1 1 249.358 1.464 40 0 BDABMO CN1C(=O)CCC[C@]12CCC[N@@H+](CC1CC1)C2 ZINC000096049980 384428548 /nfs/dbraw/zinc/42/85/48/384428548.db2.gz MMCGWSQUHXESLZ-CQSZACIVSA-N 1 1 236.359 1.873 40 0 BDABMO COCc1cncc2c1CC[N@@H+](CC1CC1)C2 ZINC000096189297 384443173 /nfs/dbraw/zinc/44/31/73/384443173.db2.gz ZKCSHIPCBXGJNN-UHFFFAOYSA-N 1 1 232.327 1.996 40 0 BDABMO O=C1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C1)C2=O ZINC000098090362 384590104 /nfs/dbraw/zinc/59/01/04/384590104.db2.gz MDUBSGPAIQUGGK-BETUJISGSA-N 1 1 243.306 1.667 40 0 BDABMO Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000082305809 384663771 /nfs/dbraw/zinc/66/37/71/384663771.db2.gz FWYVSUHKTKWJEY-CQSZACIVSA-N 1 1 246.354 1.953 40 0 BDABMO Cc1cc(Br)cn2cc(N)[nH+]c12 ZINC000077254366 384704982 /nfs/dbraw/zinc/70/49/82/384704982.db2.gz HNXIVIKEZUQSSO-UHFFFAOYSA-N 1 1 226.077 1.987 40 0 BDABMO CCCCOC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000057418907 384946310 /nfs/dbraw/zinc/94/63/10/384946310.db2.gz VSFDFIPJWOBYLZ-LBPRGKRZSA-N 1 1 221.300 1.900 40 0 BDABMO NC[C@H](CO)C1([NH+]2CCCCC2)CCCCC1 ZINC000072210383 385067203 /nfs/dbraw/zinc/06/72/03/385067203.db2.gz NLYYVFLHYCIAEN-CYBMUJFWSA-N 1 1 240.391 1.742 40 0 BDABMO CCC(=O)c1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000072225543 385115937 /nfs/dbraw/zinc/11/59/37/385115937.db2.gz AMYPZSKRRRZGMR-UHFFFAOYSA-N 1 1 247.342 1.816 40 0 BDABMO Cc1cc(N)[nH+]cc1[C@@H]1CCCN1C=O ZINC000072218487 385100671 /nfs/dbraw/zinc/10/06/71/385100671.db2.gz QCXBTQGAHHGUEI-JTQLQIEISA-N 1 1 205.261 1.266 40 0 BDABMO CC(=O)N1CCC[C@H]1c1c[nH+]c(N)c(C)c1 ZINC000072218433 385101719 /nfs/dbraw/zinc/10/17/19/385101719.db2.gz CMUVNFCGNYWAOR-NSHDSACASA-N 1 1 219.288 1.656 40 0 BDABMO [NH3+][C@H]1CCCN(Cc2cc(C3CC3)[nH]n2)C1 ZINC000096523558 385268643 /nfs/dbraw/zinc/26/86/43/385268643.db2.gz QQNRWURYYGPADG-JTQLQIEISA-N 1 1 220.320 1.210 40 0 BDABMO Cc1nn(C)cc1C[NH2+]Cc1ccco1 ZINC000020351158 385278332 /nfs/dbraw/zinc/27/83/32/385278332.db2.gz PSENZVVMHUJTIL-UHFFFAOYSA-N 1 1 205.261 1.611 40 0 BDABMO Cc1cc(C)nc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257295914 385761375 /nfs/dbraw/zinc/76/13/75/385761375.db2.gz RALIEGDJDCHAIT-GFCCVEGCSA-N 1 1 235.331 1.265 40 0 BDABMO c1ccc2c(c1)OCC[C@]21COCC[NH2+]1 ZINC000306145476 385993974 /nfs/dbraw/zinc/99/39/74/385993974.db2.gz GMDYFBAEOYCHBL-LBPRGKRZSA-N 1 1 205.257 1.284 40 0 BDABMO C[NH2+][C@H](C(N)=O)c1ccccc1Br ZINC000037869979 386105903 /nfs/dbraw/zinc/10/59/03/386105903.db2.gz PKWGAQZXXDIBIS-QMMMGPOBSA-N 1 1 243.104 1.195 40 0 BDABMO CCO[C@H](c1noc(C[NH3+])n1)c1ccccc1 ZINC000072417712 386089432 /nfs/dbraw/zinc/08/94/32/386089432.db2.gz BEXZDHWDOJGIGO-NSHDSACASA-N 1 1 233.271 1.654 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@@H](c2ccccc2Cl)C1 ZINC000225609133 386671762 /nfs/dbraw/zinc/67/17/62/386671762.db2.gz DDZZQUCYKMUZND-KOLCDFICSA-N 1 1 225.719 1.978 40 0 BDABMO Cc1c(Br)ccc2[nH+]c(N)cn21 ZINC000575436273 387099787 /nfs/dbraw/zinc/09/97/87/387099787.db2.gz CUTLAMNFKVDQLS-UHFFFAOYSA-N 1 1 226.077 1.987 40 0 BDABMO C[NH2+][C@@H](CN)c1ccc(F)c(Br)c1 ZINC000050269868 387955622 /nfs/dbraw/zinc/95/56/22/387955622.db2.gz RBMGQIGSLPNJAN-VIFPVBQESA-N 1 1 247.111 1.807 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1F ZINC000242688669 388400951 /nfs/dbraw/zinc/40/09/51/388400951.db2.gz VWHZWDWGOAOBKG-WDEREUQCSA-N 1 1 237.274 1.644 40 0 BDABMO Cc1ccc(O[C@@H]2C[C@@H]3CNCC[N@@H+]3C2)cc1 ZINC000107243937 388615785 /nfs/dbraw/zinc/61/57/85/388615785.db2.gz HBGDTJGRCMSULY-TZMCWYRMSA-N 1 1 232.327 1.420 40 0 BDABMO Cc1ccc(O[C@@H]2C[C@@H]3CNCC[N@H+]3C2)cc1 ZINC000107243937 388615789 /nfs/dbraw/zinc/61/57/89/388615789.db2.gz HBGDTJGRCMSULY-TZMCWYRMSA-N 1 1 232.327 1.420 40 0 BDABMO N[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1CO ZINC000252486093 388653192 /nfs/dbraw/zinc/65/31/92/388653192.db2.gz FBGLDEKTMMVMJS-KBPBESRZSA-N 1 1 234.343 1.013 40 0 BDABMO N[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1CO ZINC000252486093 388653194 /nfs/dbraw/zinc/65/31/94/388653194.db2.gz FBGLDEKTMMVMJS-KBPBESRZSA-N 1 1 234.343 1.013 40 0 BDABMO C([C@@H]1CCCO1)[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225711592 388841120 /nfs/dbraw/zinc/84/11/20/388841120.db2.gz JXGJYHMXVRWTCW-XQQFMLRXSA-N 1 1 224.348 1.382 40 0 BDABMO C([C@@H]1CCCO1)[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225711592 388841123 /nfs/dbraw/zinc/84/11/23/388841123.db2.gz JXGJYHMXVRWTCW-XQQFMLRXSA-N 1 1 224.348 1.382 40 0 BDABMO CC(C)[N@H+]1CCc2[nH]c(=O)c(Cl)cc2C1 ZINC000096510617 167027668 /nfs/dbraw/zinc/02/76/68/167027668.db2.gz WROPBPLDCPVEHO-UHFFFAOYSA-N 1 1 226.707 1.795 40 0 BDABMO C[C@@H]1C[C@H]2C=CC=C[C@@H]2[N@H+]1Cc1cc(N)nn1C ZINC000408716629 411913114 /nfs/dbraw/zinc/91/31/14/411913114.db2.gz OZGNYYJORXTVMQ-WZRBSPASSA-N 1 1 244.342 1.707 40 0 BDABMO CN1CCC[NH2+]CCCSCCC1 ZINC000068604479 173019421 /nfs/dbraw/zinc/01/94/21/173019421.db2.gz HSIIRPVBYZDPHT-UHFFFAOYSA-N 1 1 202.367 1.425 40 0 BDABMO C[N@H+]1CCC[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096071566 173061407 /nfs/dbraw/zinc/06/14/07/173061407.db2.gz NMFWIHPLHLUGLM-HNNXBMFYSA-N 1 1 245.370 1.999 40 0 BDABMO CN1CC[N@@H+](C[C@@H]2CCOC2)Cc2cccnc21 ZINC000096198816 173086062 /nfs/dbraw/zinc/08/60/62/173086062.db2.gz CSYFYGNWCSOHCY-LBPRGKRZSA-N 1 1 247.342 1.370 40 0 BDABMO C[N@H+]1CCc2ncnc(-c3ccncc3)c2CC1 ZINC000096187634 173173103 /nfs/dbraw/zinc/17/31/03/173173103.db2.gz ZHLPCNUZSZWHCM-UHFFFAOYSA-N 1 1 240.310 1.569 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@H](c2ccccc2F)C1 ZINC000217672332 173193285 /nfs/dbraw/zinc/19/32/85/173193285.db2.gz XTRXJCILCOVILR-MWLCHTKSSA-N 1 1 209.264 1.463 40 0 BDABMO COc1cc2c(cc1O)[C@@H](O)C[N@H+](C)[C@@H]2C ZINC000003847404 175023287 /nfs/dbraw/zinc/02/32/87/175023287.db2.gz QYKJYRWPFATDSA-HQJQHLMTSA-N 1 1 223.272 1.441 40 0 BDABMO COc1cc2c(cc1O)[C@@H](O)C[N@@H+](C)[C@@H]2C ZINC000003847404 175023288 /nfs/dbraw/zinc/02/32/88/175023288.db2.gz QYKJYRWPFATDSA-HQJQHLMTSA-N 1 1 223.272 1.441 40 0 BDABMO COc1cccc(C[NH+]2CCN(N=O)CC2)c1 ZINC000031739205 175258278 /nfs/dbraw/zinc/25/82/78/175258278.db2.gz IAHFWPKUDQQPLE-UHFFFAOYSA-N 1 1 235.287 1.494 40 0 BDABMO COc1ccccc1C[N@@H+](CCO)C(C)C ZINC000049826159 175325925 /nfs/dbraw/zinc/32/59/25/175325925.db2.gz HHBWBWVZOZTOOR-UHFFFAOYSA-N 1 1 223.316 1.898 40 0 BDABMO C[C@@H]1CCN(CCO)CC[N@H+]1Cc1ccccc1 ZINC000177842946 176169807 /nfs/dbraw/zinc/16/98/07/176169807.db2.gz YTUVMHUKVKWZEJ-CQSZACIVSA-N 1 1 248.370 1.575 40 0 BDABMO C[C@@H]1CC[N@H+](CCO)CCN1Cc1ccccc1 ZINC000177842946 176169809 /nfs/dbraw/zinc/16/98/09/176169809.db2.gz YTUVMHUKVKWZEJ-CQSZACIVSA-N 1 1 248.370 1.575 40 0 BDABMO C[C@@H]1CC[N@@H+](CCO)CCN1Cc1ccccc1 ZINC000177842946 176169811 /nfs/dbraw/zinc/16/98/11/176169811.db2.gz YTUVMHUKVKWZEJ-CQSZACIVSA-N 1 1 248.370 1.575 40 0 BDABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccco1 ZINC000072397530 176323104 /nfs/dbraw/zinc/32/31/04/176323104.db2.gz UIUNVKLEHFHLRL-VXGBXAGGSA-N 1 1 220.316 1.948 40 0 BDABMO COc1ccccc1C[C@H]1C[N@H+]2CCC[C@H]2CN1 ZINC000039957310 524515125 /nfs/dbraw/zinc/51/51/25/524515125.db2.gz RGHOSBJYYVCBFX-KBPBESRZSA-N 1 1 246.354 1.674 40 0 BDABMO COc1ccccc1C[C@H]1CN2CCC[C@H]2C[NH2+]1 ZINC000039957310 524515131 /nfs/dbraw/zinc/51/51/31/524515131.db2.gz RGHOSBJYYVCBFX-KBPBESRZSA-N 1 1 246.354 1.674 40 0 BDABMO Fc1ccccc1C[C@@H]1C[N@H+]2CCC[C@H]2CN1 ZINC000039957308 526411981 /nfs/dbraw/zinc/41/19/81/526411981.db2.gz XGCFKMNGBPSTPU-OLZOCXBDSA-N 1 1 234.318 1.804 40 0 BDABMO Fc1ccccc1C[C@@H]1CN2CCC[C@H]2C[NH2+]1 ZINC000039957308 526411988 /nfs/dbraw/zinc/41/19/88/526411988.db2.gz XGCFKMNGBPSTPU-OLZOCXBDSA-N 1 1 234.318 1.804 40 0 BDABMO O=C1NCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000261507628 527072418 /nfs/dbraw/zinc/07/24/18/527072418.db2.gz KLBIDDAWGHRPBL-OLZOCXBDSA-N 1 1 230.311 1.255 40 0 BDABMO Cc1cc(C[N@H+]2CC[C@H](O)C2)ccc1F ZINC000038538894 178002645 /nfs/dbraw/zinc/00/26/45/178002645.db2.gz RZHLITVBKAITBF-NSHDSACASA-N 1 1 209.264 1.701 40 0 BDABMO Cc1cc(C[NH2+]Cc2ccco2)n(C)n1 ZINC000041050861 178027110 /nfs/dbraw/zinc/02/71/10/178027110.db2.gz GNQMWAKOOIHMML-UHFFFAOYSA-N 1 1 205.261 1.611 40 0 BDABMO CC1(c2cc[nH]n2)CC[NH+](Cc2ncc[nH]2)CC1 ZINC000257270056 187330910 /nfs/dbraw/zinc/33/09/10/187330910.db2.gz MSPKXXRQPOEIDW-UHFFFAOYSA-N 1 1 245.330 1.687 40 0 BDABMO Cc1cc(CN2CCC[C@]3(CC[N@H+](C)C3)C2)no1 ZINC000063527670 398251836 /nfs/dbraw/zinc/25/18/36/398251836.db2.gz HMUPFAMIYPGAEQ-CQSZACIVSA-N 1 1 249.358 1.901 40 0 BDABMO CC(C)(CO)Nc1[nH]c2ccccc2[nH+]1 ZINC000000513025 342689233 /nfs/dbraw/zinc/68/92/33/342689233.db2.gz RGZBAKBQVBJRJA-UHFFFAOYSA-N 1 1 205.261 1.746 40 0 BDABMO COC[C@@H](OC)c1ccc(C(=O)C[NH3+])cc1 ZINC000072220055 259318794 /nfs/dbraw/zinc/31/87/94/259318794.db2.gz LYAPBLPVAUZQTB-GFCCVEGCSA-N 1 1 223.272 1.162 40 0 BDABMO CCOC(=O)c1cnc(C[NH+]2CCCC2)nc1C ZINC000072221000 259319653 /nfs/dbraw/zinc/31/96/53/259319653.db2.gz QIZKMMVZGHNUMG-UHFFFAOYSA-N 1 1 249.314 1.558 40 0 BDABMO Cc1cc(C[NH3+])cnc1N1CCN(C(C)C)CC1 ZINC000072222659 259320897 /nfs/dbraw/zinc/32/08/97/259320897.db2.gz QDRSHERHWYNRMG-UHFFFAOYSA-N 1 1 248.374 1.379 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccc(F)cc1 ZINC000217668404 398322699 /nfs/dbraw/zinc/32/26/99/398322699.db2.gz AAMDSQYMUNGGNR-VXGBXAGGSA-N 1 1 237.274 1.644 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1F ZINC000217668004 398322785 /nfs/dbraw/zinc/32/27/85/398322785.db2.gz VWHZWDWGOAOBKG-GHMZBOCLSA-N 1 1 237.274 1.644 40 0 BDABMO COC(=O)[C@@H]([NH3+])Cc1c[nH]c2cc(OC)ccc12 ZINC000034206559 343266605 /nfs/dbraw/zinc/26/66/05/343266605.db2.gz KOLLGWLALPFQSZ-NSHDSACASA-N 1 1 248.282 1.219 40 0 BDABMO CC[NH+](CC)CCNCCC(=O)OC(C)(C)C ZINC000047218974 343559080 /nfs/dbraw/zinc/55/90/80/343559080.db2.gz CIYZVVHACRAJJE-UHFFFAOYSA-N 1 1 244.379 1.650 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000096526047 343759870 /nfs/dbraw/zinc/75/98/70/343759870.db2.gz YZXKRKDHOQOFIU-UWVGGRQHSA-N 1 1 224.691 1.571 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccccc1F ZINC000096526058 343759876 /nfs/dbraw/zinc/75/98/76/343759876.db2.gz YWGPLMYVTSKHSR-ZJUUUORDSA-N 1 1 208.236 1.056 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1cccc(F)c1 ZINC000096526096 343759964 /nfs/dbraw/zinc/75/99/64/343759964.db2.gz UORXKGYDDZMKEL-NXEZZACHSA-N 1 1 208.236 1.056 40 0 BDABMO NCC(F)(C[NH3+])CCOCc1ccccc1 ZINC000585142623 343876943 /nfs/dbraw/zinc/87/69/43/343876943.db2.gz PSARMYKJBYHSKO-UHFFFAOYSA-N 1 1 226.295 1.219 40 0 BDABMO COc1cc(C(N)=[NH2+])cc(Br)c1O ZINC000036893259 344081043 /nfs/dbraw/zinc/08/10/43/344081043.db2.gz LXDGEBJKBPBCTH-UHFFFAOYSA-N 1 1 245.076 1.447 40 0 BDABMO COc1ccc([C@@H]([NH3+])c2nnc(C3CC3)[nH]2)cc1 ZINC000095533733 187288276 /nfs/dbraw/zinc/28/82/76/187288276.db2.gz JOOJMUCGKFJAGZ-LLVKDONJSA-N 1 1 244.298 1.739 40 0 BDABMO C1C[C@]2(CC[N@H+](C3CCOCC3)C2)CO1 ZINC000096051058 187289143 /nfs/dbraw/zinc/28/91/43/187289143.db2.gz WMUSSPCVQOEZOQ-LBPRGKRZSA-N 1 1 211.305 1.278 40 0 BDABMO Cc1cccc(NC2=[NH+]C(C)(C)NC(=N)N2)c1 ZINC000000269202 345812636 /nfs/dbraw/zinc/81/26/36/345812636.db2.gz FTOZHDVIBQNOEF-UHFFFAOYSA-N 1 1 231.303 1.417 40 0 BDABMO Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072357210 179203805 /nfs/dbraw/zinc/20/38/05/179203805.db2.gz OIDBMJPAIHFWRB-CYBMUJFWSA-N 1 1 247.342 1.615 40 0 BDABMO Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072357210 179203807 /nfs/dbraw/zinc/20/38/07/179203807.db2.gz OIDBMJPAIHFWRB-CYBMUJFWSA-N 1 1 247.342 1.615 40 0 BDABMO CSc1ncc(C[NH2+]Cc2ccccn2)cn1 ZINC000062717246 259406538 /nfs/dbraw/zinc/40/65/38/259406538.db2.gz JJQIKAOCENRWNS-UHFFFAOYSA-N 1 1 246.339 1.883 40 0 BDABMO CC[N@@H+]1CCC[C@H]1CNCc1cnc(NC)nc1 ZINC000062718409 259408098 /nfs/dbraw/zinc/40/80/98/259408098.db2.gz WMOSZVFCECTHLB-LBPRGKRZSA-N 1 1 249.362 1.092 40 0 BDABMO CC[N@H+]1CCC[C@H]1CNCc1cnc(NC)nc1 ZINC000062718409 259408099 /nfs/dbraw/zinc/40/80/99/259408099.db2.gz WMOSZVFCECTHLB-LBPRGKRZSA-N 1 1 249.362 1.092 40 0 BDABMO Cc1nc([C@H]2CCCC[NH2+]2)nc2c1CC(=O)N2C ZINC000019695376 180055715 /nfs/dbraw/zinc/05/57/15/180055715.db2.gz VJJYBJLSNBYKPT-SNVBAGLBSA-N 1 1 246.314 1.119 40 0 BDABMO Cc1nc([C@H]2CCC[N@H+]2CC2CC2)cc(=O)[nH]1 ZINC000072361362 180056809 /nfs/dbraw/zinc/05/68/09/180056809.db2.gz YUKYOVWJQMEFAS-GFCCVEGCSA-N 1 1 233.315 1.625 40 0 BDABMO Cc1ncnc2c1CC[N@@H+](C[C@H]1CCOC1)CC2 ZINC000096254992 180290913 /nfs/dbraw/zinc/29/09/13/180290913.db2.gz BGXPTQSTVCJZQI-GFCCVEGCSA-N 1 1 247.342 1.222 40 0 BDABMO Fc1ccccc1-c1nnc2n1CC[NH2+]C2 ZINC000053709443 181009669 /nfs/dbraw/zinc/00/96/69/181009669.db2.gz JGBJGVGSJHDEOD-UHFFFAOYSA-N 1 1 218.235 1.187 40 0 BDABMO c1csc(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)n1 ZINC000205687973 368358465 /nfs/dbraw/zinc/35/84/65/368358465.db2.gz DVHUBDCVGOMIJT-SECBINFHSA-N 1 1 234.328 1.856 40 0 BDABMO c1csc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)n1 ZINC000205687973 368358469 /nfs/dbraw/zinc/35/84/69/368358469.db2.gz DVHUBDCVGOMIJT-SECBINFHSA-N 1 1 234.328 1.856 40 0 BDABMO CC(C)(C)N1C(=O)[C@@H]([NH3+])[C@@H]1c1ccccc1F ZINC000256050666 370635035 /nfs/dbraw/zinc/63/50/35/370635035.db2.gz GBEPZEFDCBRQMQ-QWRGUYRKSA-N 1 1 236.290 1.835 40 0 BDABMO CCN1CCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000019852588 371194206 /nfs/dbraw/zinc/19/42/06/371194206.db2.gz SJOMSWXJOFMPEU-HNNXBMFYSA-N 1 1 247.386 1.194 40 0 BDABMO O=C1CCC[C@@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCC[N@H+]1C3 ZINC000040934552 373936014 /nfs/dbraw/zinc/93/60/14/373936014.db2.gz JYIJIIVLEOETIQ-AAVRWANBSA-N 1 1 248.370 1.872 40 0 biogenic BDABMO OC[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000049069859 183145723 /nfs/dbraw/zinc/14/57/23/183145723.db2.gz DWRQJSYKHGJWPN-GFCCVEGCSA-N 1 1 207.273 1.052 40 0 BDABMO O[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000038538789 183198639 /nfs/dbraw/zinc/19/86/39/183198639.db2.gz FMUXRHBZEJIHCR-SECBINFHSA-N 1 1 213.227 1.531 40 0 BDABMO O[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000038538789 183198642 /nfs/dbraw/zinc/19/86/42/183198642.db2.gz FMUXRHBZEJIHCR-SECBINFHSA-N 1 1 213.227 1.531 40 0 BDABMO O[C@H]1CC[N@@H+]([C@H]2CCOC2)[C@H]1Cc1ccccc1 ZINC000096200370 183239918 /nfs/dbraw/zinc/23/99/18/183239918.db2.gz YGNNPJYPCIQFKX-KKUMJFAQSA-N 1 1 247.338 1.453 40 0 BDABMO c1cc([C@H]2CC[N@H+](Cc3ccncc3)C2)n[nH]1 ZINC000072187723 183347336 /nfs/dbraw/zinc/34/73/36/183347336.db2.gz AYDGUHQZRVTPBJ-LBPRGKRZSA-N 1 1 228.299 1.794 40 0 BDABMO CCCNC(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000060938376 169236747 /nfs/dbraw/zinc/23/67/47/169236747.db2.gz CPDMOTOLGCJSQC-GFCCVEGCSA-N 1 1 241.379 1.818 40 0 BDABMO C[N@H+]1CCCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000034676261 383983194 /nfs/dbraw/zinc/98/31/94/383983194.db2.gz OVAIXYYSKZKZNO-OAHLLOKOSA-N 1 1 247.386 1.194 40 0 BDABMO Cn1cnnc1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072359871 384212675 /nfs/dbraw/zinc/21/26/75/384212675.db2.gz ANIZRBZEHSQYAW-ZDUSSCGKSA-N 1 1 242.326 1.805 40 0 BDABMO Cc1cc(C)nc(C[C@@H]2CCC[N@H+](C)C2)n1 ZINC000072381302 384216480 /nfs/dbraw/zinc/21/64/80/384216480.db2.gz CBMGIPQTPRHSQA-LBPRGKRZSA-N 1 1 219.332 1.978 40 0 BDABMO CC(C)[N@H+]1CC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000072381393 384216946 /nfs/dbraw/zinc/21/69/46/384216946.db2.gz ITCWULGIHDESGC-SECBINFHSA-N 1 1 231.303 1.551 40 0 BDABMO Cc1cc(C)nc([C@@H]2CCC[N@H+](C)C2)n1 ZINC000072381296 384217831 /nfs/dbraw/zinc/21/78/31/384217831.db2.gz VNUFGHQCKGEVKW-LLVKDONJSA-N 1 1 205.305 1.903 40 0 BDABMO CNc1cccc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072381342 384217886 /nfs/dbraw/zinc/21/78/86/384217886.db2.gz RRTIGWSJIGOGMS-LLVKDONJSA-N 1 1 221.304 1.253 40 0 BDABMO c1cnc(N2CC[C@@]3(CC[N@@H+]3CC3CC3)C2)nc1 ZINC000096228663 384446145 /nfs/dbraw/zinc/44/61/45/384446145.db2.gz KGOIUMKRRVLMFK-CQSZACIVSA-N 1 1 244.342 1.541 40 0 BDABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccoc3)CC2)N1 ZINC000096047439 384430004 /nfs/dbraw/zinc/43/00/04/384430004.db2.gz IDUFQBPOIYDJKI-AWEZNQCLSA-N 1 1 248.326 1.914 40 0 BDABMO Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]32)cc1 ZINC000096186177 384439549 /nfs/dbraw/zinc/43/95/49/384439549.db2.gz IYIGROVGJHDVES-KBPBESRZSA-N 1 1 244.338 1.848 40 0 BDABMO CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1ccoc1 ZINC000107799884 385003099 /nfs/dbraw/zinc/00/30/99/385003099.db2.gz IEYZUUNCLCAFFI-QWRGUYRKSA-N 1 1 220.272 1.085 40 0 BDABMO COc1c(C)cccc1CNCC[NH+](C)C ZINC000095094944 384963765 /nfs/dbraw/zinc/96/37/65/384963765.db2.gz CGGNAZPEWJZJBR-UHFFFAOYSA-N 1 1 222.332 1.655 40 0 BDABMO CCN1CCN(c2cc(C)c([C@H](C)[NH3+])cn2)CC1 ZINC000072223634 385116127 /nfs/dbraw/zinc/11/61/27/385116127.db2.gz CBXRLLYUAAFEFE-LBPRGKRZSA-N 1 1 248.374 1.552 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1cccnc1N1CCOCC1 ZINC000072216207 385094566 /nfs/dbraw/zinc/09/45/66/385094566.db2.gz PUNXHKFQQMQDFK-CYBMUJFWSA-N 1 1 247.342 1.685 40 0 BDABMO Cc1cc([C@H]2CCCN2C=O)c[nH+]c1N ZINC000072218428 385101623 /nfs/dbraw/zinc/10/16/23/385101623.db2.gz OYIYNRXXPZTWLE-SNVBAGLBSA-N 1 1 205.261 1.266 40 0 BDABMO Cn1cccc1-c1nc([C@@H]2CCCC[NH2+]2)no1 ZINC000096511462 385252506 /nfs/dbraw/zinc/25/25/06/385252506.db2.gz MNRBFQOWGZMKEK-VIFPVBQESA-N 1 1 232.287 1.890 40 0 BDABMO [NH3+][C@@H]1CCCN(Cc2n[nH]c3c2CCCC3)C1 ZINC000096523544 385268884 /nfs/dbraw/zinc/26/88/84/385268884.db2.gz IPZDWPJGRACUGD-SNVBAGLBSA-N 1 1 234.347 1.212 40 0 BDABMO N[C@@H](C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000096523468 385269799 /nfs/dbraw/zinc/26/97/99/385269799.db2.gz GFVQRGJVAZDQEI-OLZOCXBDSA-N 1 1 220.316 1.143 40 0 BDABMO [NH3+][C@@H](CN1CCC[C@@H]1CO)c1ccccc1 ZINC000096523468 385269805 /nfs/dbraw/zinc/26/98/05/385269805.db2.gz GFVQRGJVAZDQEI-OLZOCXBDSA-N 1 1 220.316 1.143 40 0 BDABMO COC[C@@H](O)C[N@@H+](C)C[C@@H]1C(C)=CCC[C@@H]1C ZINC000191051841 385280385 /nfs/dbraw/zinc/28/03/85/385280385.db2.gz LXIXPPOSKIWXKE-MELADBBJSA-N 1 1 241.375 1.918 40 0 BDABMO FC(F)(F)c1[nH]nc2c1CC[C@H]1C[NH2+]C[C@H]21 ZINC000257257626 385757672 /nfs/dbraw/zinc/75/76/72/385757672.db2.gz KQLVWBMMYFWVPI-FSPLSTOPSA-N 1 1 231.221 1.678 40 0 BDABMO Fc1ccc2c(c1)OCC[C@]21COCC[NH2+]1 ZINC000306145447 385994936 /nfs/dbraw/zinc/99/49/36/385994936.db2.gz FPZUTFLEYXQIAV-LBPRGKRZSA-N 1 1 223.247 1.423 40 0 BDABMO CCN(CC)CC[NH2+]Cc1cnn(C)c1C ZINC000086551866 387854878 /nfs/dbraw/zinc/85/48/78/387854878.db2.gz GEQBAOXHENINEG-UHFFFAOYSA-N 1 1 224.352 1.160 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccco1 ZINC000252517033 388654399 /nfs/dbraw/zinc/65/43/99/388654399.db2.gz ZBOTWDDBFUHQSN-BDAKNGLRSA-N 1 1 209.245 1.098 40 0 BDABMO COc1ccc([C@@H]([NH3+])c2nnc(C)[nH]2)cc1 ZINC000095533642 388776078 /nfs/dbraw/zinc/77/60/78/388776078.db2.gz TZTMQUZNWYDLJD-SNVBAGLBSA-N 1 1 218.260 1.170 40 0 BDABMO [NH3+][C@H](c1nnc(C2CC2)[nH]1)c1ccc(F)cc1 ZINC000095533324 388776686 /nfs/dbraw/zinc/77/66/86/388776686.db2.gz BUBRZJZHHGMWCJ-JTQLQIEISA-N 1 1 232.262 1.869 40 0 BDABMO C[N@H+]1C[C@@H](CO)[C@@H](c2ccccc2F)C1 ZINC000225608939 388839629 /nfs/dbraw/zinc/83/96/29/388839629.db2.gz XTRXJCILCOVILR-ONGXEEELSA-N 1 1 209.264 1.463 40 0 BDABMO Nc1ccc[nH+]c1N1CCCC[C@H]1CCO ZINC000019261696 132324363 /nfs/dbraw/zinc/32/43/63/132324363.db2.gz XPBIQHHLHPLVHS-JTQLQIEISA-N 1 1 221.304 1.405 40 0 BDABMO CC(C)OCCC[N@@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218842650 167216872 /nfs/dbraw/zinc/21/68/72/167216872.db2.gz SHGHLIYBOOHATO-CHWSQXEVSA-N 1 1 226.364 1.628 40 0 BDABMO CC(C)OCCC[N@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218842650 167216875 /nfs/dbraw/zinc/21/68/75/167216875.db2.gz SHGHLIYBOOHATO-CHWSQXEVSA-N 1 1 226.364 1.628 40 0 BDABMO CC(C)OCCCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000072796590 167220097 /nfs/dbraw/zinc/22/00/97/167220097.db2.gz MRPGBPSFZNVEMR-GFCCVEGCSA-N 1 1 242.363 1.260 40 0 BDABMO CCn1nc(N)cc1C[N@H+]1CCC[C@@H](C)C1 ZINC000408716746 411257016 /nfs/dbraw/zinc/25/70/16/411257016.db2.gz QLLRKFOLZWZBKE-SNVBAGLBSA-N 1 1 222.336 1.717 40 0 BDABMO CCOC(=O)[C@]([NH3+])(CC)c1ccccc1 ZINC000037459899 170285882 /nfs/dbraw/zinc/28/58/82/170285882.db2.gz JLEZVTIYNCKTNH-LBPRGKRZSA-N 1 1 207.273 1.814 40 0 in-vitro BDABMO CCn1nccc1C[NH2+]Cc1cnn(C(C)C)c1 ZINC000256053544 172271313 /nfs/dbraw/zinc/27/13/13/172271313.db2.gz RWMLPUBYEOUGDK-UHFFFAOYSA-N 1 1 247.346 1.970 40 0 BDABMO C[N@H+]1CCCC[C@@H]1c1cc(CCO)n[nH]1 ZINC000072381203 173008215 /nfs/dbraw/zinc/00/82/15/173008215.db2.gz XXOGHBRGSCXZLC-LLVKDONJSA-N 1 1 209.293 1.101 40 0 BDABMO C[N@H+]1CCC[C@H](Oc2ccncc2N)C1 ZINC000096526672 173045892 /nfs/dbraw/zinc/04/58/92/173045892.db2.gz DALQVUQLIZHRTO-VIFPVBQESA-N 1 1 207.277 1.137 40 0 BDABMO C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)OC(C)(C)C ZINC000077031830 173190496 /nfs/dbraw/zinc/19/04/96/173190496.db2.gz VYYZBKDBMOBMBG-IUCAKERBSA-N 1 1 212.293 1.310 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@H](c2cccc(Cl)c2)C1 ZINC000217672934 173192639 /nfs/dbraw/zinc/19/26/39/173192639.db2.gz GXCBTASVJFFRNX-PWSUYJOCSA-N 1 1 225.719 1.978 40 0 BDABMO C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)[C@H]2O ZINC000005080941 173206812 /nfs/dbraw/zinc/20/68/12/173206812.db2.gz MJGYFJJZXVBXPH-IGQOVBAYSA-N 1 1 217.312 1.998 40 0 BDABMO COC(=O)[C@@H]([NH3+])Cc1c[nH]c2c1cccc2OC ZINC000044909663 173705478 /nfs/dbraw/zinc/70/54/78/173705478.db2.gz PDGMDZRZEWHXQJ-JTQLQIEISA-N 1 1 248.282 1.219 40 0 BDABMO COCCC[N@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218828519 174230639 /nfs/dbraw/zinc/23/06/39/174230639.db2.gz VYWZRUFXEWYJCB-VXGBXAGGSA-N 1 1 212.337 1.239 40 0 BDABMO COCCCN1CC[NH2+][C@@H]2CCCC[C@H]21 ZINC000218828519 174230642 /nfs/dbraw/zinc/23/06/42/174230642.db2.gz VYWZRUFXEWYJCB-VXGBXAGGSA-N 1 1 212.337 1.239 40 0 BDABMO COCC[N@@H+]1CCCC[C@H]1c1cc(CO)n[nH]1 ZINC000072357034 174304994 /nfs/dbraw/zinc/30/49/94/174304994.db2.gz GYHAJAGJULFHSW-LBPRGKRZSA-N 1 1 239.319 1.075 40 0 BDABMO COCC[N@H+]1CCCC[C@H]1c1cc(CO)n[nH]1 ZINC000072357034 174304997 /nfs/dbraw/zinc/30/49/97/174304997.db2.gz GYHAJAGJULFHSW-LBPRGKRZSA-N 1 1 239.319 1.075 40 0 BDABMO COCC[N@H+]1CCC[C@H](c2nc(C)c[nH]2)C1 ZINC000257228006 174308840 /nfs/dbraw/zinc/30/88/40/174308840.db2.gz FRYLWTCHNBKDDM-NSHDSACASA-N 1 1 223.320 1.544 40 0 BDABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccco1 ZINC000072397531 176324148 /nfs/dbraw/zinc/32/41/48/176324148.db2.gz UIUNVKLEHFHLRL-NEPJUHHUSA-N 1 1 220.316 1.948 40 0 BDABMO CC[C@@]1(C)NC(=[NH2+])NC(=N)N1c1ccc(C)cc1 ZINC000003074580 536071046 /nfs/dbraw/zinc/07/10/46/536071046.db2.gz HSZXJTXNPGKAHV-ZDUSSCGKSA-N 1 1 245.330 1.571 40 0 BDABMO CC(C)C[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000072361114 343979967 /nfs/dbraw/zinc/97/99/67/343979967.db2.gz CTHOPKQUJJLPMQ-LLVKDONJSA-N 1 1 234.347 1.894 40 0 BDABMO CC(C)C[N@H+]1CCCC[C@@H]1c1nncn1C ZINC000072383183 343980010 /nfs/dbraw/zinc/98/00/10/343980010.db2.gz JQFARRMAJBSLHV-LLVKDONJSA-N 1 1 222.336 1.998 40 0 BDABMO Cc1cc2[nH+]cn(CCCO)c2cc1N ZINC000223769565 178305725 /nfs/dbraw/zinc/30/57/25/178305725.db2.gz UMGFEMVBPICRFT-UHFFFAOYSA-N 1 1 205.261 1.309 40 0 BDABMO CCc1ccc([C@H](CO)[NH+]2CCOCC2)cc1 ZINC000070452923 259313592 /nfs/dbraw/zinc/31/35/92/259313592.db2.gz GYDUNUHZGSBBCL-AWEZNQCLSA-N 1 1 235.327 1.615 40 0 BDABMO COC(=O)[C@@H]1C[C@@H](C)[N@H+]1C1CCCCC1 ZINC000001580706 342704042 /nfs/dbraw/zinc/70/40/42/342704042.db2.gz WDIDDUQBKWESQH-KOLCDFICSA-N 1 1 211.305 1.955 40 0 BDABMO CCOC[C@@H]1C[N@@H+](CC2CC2)Cc2cnn(C)c21 ZINC000096060092 398312330 /nfs/dbraw/zinc/31/23/30/398312330.db2.gz SONKXFUNRVFJMJ-ZDUSSCGKSA-N 1 1 249.358 1.766 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1cccc(F)c1 ZINC000217668289 398322833 /nfs/dbraw/zinc/32/28/33/398322833.db2.gz RECSJVDZPUFSAZ-NEPJUHHUSA-N 1 1 237.274 1.644 40 0 BDABMO Nc1ccc[nH+]c1NC[C@H](O)c1ccccc1 ZINC000031670133 343222832 /nfs/dbraw/zinc/22/28/32/343222832.db2.gz CIHFPEDHCTYNBP-LBPRGKRZSA-N 1 1 229.283 1.809 40 0 BDABMO CC(C)[N@@H+](CC(=O)[O-])C1CCC([NH+](C)C)CC1 ZINC000083318591 187266779 /nfs/dbraw/zinc/26/67/79/187266779.db2.gz VWXPKAUYGWEATB-UHFFFAOYSA-N 1 1 242.363 1.654 40 0 BDABMO C[NH2+][C@@H](CN)c1cccc(C(F)(F)F)c1 ZINC000050269798 259369968 /nfs/dbraw/zinc/36/99/68/259369968.db2.gz FDFWOTYUZMZRFR-VIFPVBQESA-N 1 1 218.222 1.925 40 0 BDABMO C[NH2+][C@@H](CN)c1ccc(C(F)(F)F)cc1 ZINC000050269830 259369975 /nfs/dbraw/zinc/36/99/75/259369975.db2.gz RLWOABABNDOCBI-VIFPVBQESA-N 1 1 218.222 1.925 40 0 BDABMO CC[NH+]1CCN(C[C@@H]2Cc3ccccc3N2)CC1 ZINC000096524014 343759007 /nfs/dbraw/zinc/75/90/07/343759007.db2.gz YOANJFDVQDMTAP-AWEZNQCLSA-N 1 1 245.370 1.661 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccccc1F ZINC000096526053 343760097 /nfs/dbraw/zinc/76/00/97/343760097.db2.gz YWGPLMYVTSKHSR-UWVGGRQHSA-N 1 1 208.236 1.056 40 0 BDABMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccsc3)[C@H]2C1 ZINC000585107624 344135021 /nfs/dbraw/zinc/13/50/21/344135021.db2.gz ALQLHJFBHMVPPA-KOLCDFICSA-N 1 1 236.340 1.524 40 0 BDABMO CN1Cc2ccnn2[C@@H](CC[NH+]2CCCC2)C1 ZINC000585112994 344137217 /nfs/dbraw/zinc/13/72/17/344137217.db2.gz ZOVOAWKHNZSQPQ-ZDUSSCGKSA-N 1 1 234.347 1.356 40 0 BDABMO [NH3+][C@H]1C(=O)N(C2CC2)[C@@H]1c1cccc(F)c1 ZINC000256051556 344145006 /nfs/dbraw/zinc/14/50/06/344145006.db2.gz JQBQNFXMUUQVIO-GHMZBOCLSA-N 1 1 220.247 1.199 40 0 BDABMO [NH3+][C@H]1C(=O)N(C2CC2)[C@H]1c1cccc(F)c1 ZINC000256051557 344145046 /nfs/dbraw/zinc/14/50/46/344145046.db2.gz JQBQNFXMUUQVIO-MNOVXSKESA-N 1 1 220.247 1.199 40 0 BDABMO C(C[N@@H+]1CC[C@]2(CCCO2)C1)N1CCCC1 ZINC000096051034 187289005 /nfs/dbraw/zinc/28/90/05/187289005.db2.gz AZRYLRAVCPXQAT-CYBMUJFWSA-N 1 1 224.348 1.337 40 0 BDABMO C(C[N@H+]1CC[C@]2(CCCO2)C1)N1CCCC1 ZINC000096051034 187289006 /nfs/dbraw/zinc/28/90/06/187289006.db2.gz AZRYLRAVCPXQAT-CYBMUJFWSA-N 1 1 224.348 1.337 40 0 BDABMO CC[NH+]1CCN(Cc2ccccc2C=O)CC1 ZINC000095738617 347123345 /nfs/dbraw/zinc/12/33/45/347123345.db2.gz NIAYSZVAKBIHBJ-UHFFFAOYSA-N 1 1 232.327 1.637 40 0 BDABMO O=C(c1cccnc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932142 347209938 /nfs/dbraw/zinc/20/99/38/347209938.db2.gz UXTGUILTYJCTMN-GFCCVEGCSA-N 1 1 231.299 1.002 40 0 BDABMO Cc1ccccc1C[N@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000077266447 179275252 /nfs/dbraw/zinc/27/52/52/179275252.db2.gz XENHNVPOPNQZQB-ZDUSSCGKSA-N 1 1 245.326 1.204 40 0 biogenic,in-vitro BDABMO COC(=O)CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000022538796 350113035 /nfs/dbraw/zinc/11/30/35/350113035.db2.gz XXBDHNWXJOFHPG-NXEZZACHSA-N 1 1 215.293 1.049 40 0 BDABMO Cc1nc2c3ccccc3oc2c(NN)[nH+]1 ZINC000038548944 180019998 /nfs/dbraw/zinc/01/99/98/180019998.db2.gz JDWDBURFDQAMAF-UHFFFAOYSA-N 1 1 214.228 1.970 40 0 BDABMO Cc1nc([C@@H]([NH3+])c2ccccc2)nn1C ZINC000082531775 180038895 /nfs/dbraw/zinc/03/88/95/180038895.db2.gz PWDJVMJLOILFSA-JTQLQIEISA-N 1 1 202.261 1.172 40 0 BDABMO Cc1nc2c(c(=O)[nH]1)C[N@H+](C1CCCCC1)CC2 ZINC000019576521 180067818 /nfs/dbraw/zinc/06/78/18/180067818.db2.gz WIJHSODQAZQWOF-UHFFFAOYSA-N 1 1 247.342 1.769 40 0 BDABMO Cc1nc2ccc(NC(=O)[C@H]3CC[NH2+]C3)cc2[nH]1 ZINC000062114010 180081769 /nfs/dbraw/zinc/08/17/69/180081769.db2.gz KJDHOGVMLQRYFL-VIFPVBQESA-N 1 1 244.298 1.419 40 0 BDABMO Cc1ncc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)cn1 ZINC000257240358 180145938 /nfs/dbraw/zinc/14/59/38/180145938.db2.gz HTCNBLDDFNVIRA-GFCCVEGCSA-N 1 1 243.314 1.498 40 0 BDABMO CCc1[nH+]c(N)ccc1[C@H]1CCNC(=O)C1 ZINC000199781702 363186432 /nfs/dbraw/zinc/18/64/32/363186432.db2.gz KCQLQFMICIQEJH-QMMMGPOBSA-N 1 1 219.288 1.220 40 0 BDABMO CC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000062569120 188013645 /nfs/dbraw/zinc/01/36/45/188013645.db2.gz JZPNZEQSZRFEGD-LBPRGKRZSA-N 1 1 204.273 1.179 40 0 BDABMO CCc1c(N)n(-c2ccccn2)nc1C[NH+](C)C ZINC000026512267 357164153 /nfs/dbraw/zinc/16/41/53/357164153.db2.gz OIIIDNGIDYDZQS-UHFFFAOYSA-N 1 1 245.330 1.474 40 0 BDABMO C[C@@H](O)C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000005394057 360488382 /nfs/dbraw/zinc/48/83/82/360488382.db2.gz VAZXXAVHCHRHJJ-DGCLKSJQSA-N 1 1 220.316 1.989 40 0 biogenic,in-vitro BDABMO Cc1nccc([C@@]2(C)CCC[N@@H+](CCO)C2)n1 ZINC000205678360 368356030 /nfs/dbraw/zinc/35/60/30/368356030.db2.gz JIWNTMGVMMBXDD-ZDUSSCGKSA-N 1 1 235.331 1.131 40 0 BDABMO CCOCCC[N@@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000225715815 259541113 /nfs/dbraw/zinc/54/11/13/259541113.db2.gz XMJKNXPALFVAJK-RYUDHWBXSA-N 1 1 212.337 1.239 40 0 BDABMO CCOCCC[N@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000225715815 259541115 /nfs/dbraw/zinc/54/11/15/259541115.db2.gz XMJKNXPALFVAJK-RYUDHWBXSA-N 1 1 212.337 1.239 40 0 BDABMO COC(=O)[C@]1([NH3+])CC[C@H]1Cc1ccccc1 ZINC000242547812 372206473 /nfs/dbraw/zinc/20/64/73/372206473.db2.gz KTQNJNMKRQWVME-AAEUAGOBSA-N 1 1 219.284 1.510 40 0 BDABMO OC[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000035216809 183118853 /nfs/dbraw/zinc/11/88/53/183118853.db2.gz CTMPSLAFEMYFDX-LLVKDONJSA-N 1 1 240.734 1.939 40 0 BDABMO OC[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000035216809 183118854 /nfs/dbraw/zinc/11/88/54/183118854.db2.gz CTMPSLAFEMYFDX-LLVKDONJSA-N 1 1 240.734 1.939 40 0 BDABMO Oc1ccc(CC[NH+]2CCOCC2)cc1 ZINC000031637870 183269575 /nfs/dbraw/zinc/26/95/75/183269575.db2.gz TWKQHZFWEMNGSL-UHFFFAOYSA-N 1 1 207.273 1.267 40 0 BDABMO CN(CC[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000054417029 383842500 /nfs/dbraw/zinc/84/25/00/383842500.db2.gz WWURKPADSHUWHP-CQSZACIVSA-N 1 1 233.359 1.151 40 0 BDABMO COC(=O)[C@H]1C[C@@H](C)[N@H+]1C1CCCCC1 ZINC000005464837 384114090 /nfs/dbraw/zinc/11/40/90/384114090.db2.gz WDIDDUQBKWESQH-MWLCHTKSSA-N 1 1 211.305 1.955 40 0 BDABMO CN(CCO)C[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079393487 384133648 /nfs/dbraw/zinc/13/36/48/384133648.db2.gz TUQQZFCXMSRXLT-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@H+](CCO)C[C@@H]1CCCN1Cc1ccccc1 ZINC000079393487 384133654 /nfs/dbraw/zinc/13/36/54/384133654.db2.gz TUQQZFCXMSRXLT-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@@H+](CCO)C[C@@H]1CCCN1Cc1ccccc1 ZINC000079393487 384133659 /nfs/dbraw/zinc/13/36/59/384133659.db2.gz TUQQZFCXMSRXLT-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CC(=O)N1CCCC[C@H]1C[N@@H+](CCN)C(C)C ZINC000079405664 384137286 /nfs/dbraw/zinc/13/72/86/384137286.db2.gz HLJYOUKTESSKJS-ZDUSSCGKSA-N 1 1 241.379 1.057 40 0 BDABMO CC(=O)N1CCCC[C@H]1C[N@H+](CCN)C(C)C ZINC000079405664 384137295 /nfs/dbraw/zinc/13/72/95/384137295.db2.gz HLJYOUKTESSKJS-ZDUSSCGKSA-N 1 1 241.379 1.057 40 0 BDABMO C[N@H+](CCO)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393490 384133020 /nfs/dbraw/zinc/13/30/20/384133020.db2.gz VTHPLPMGJMJYLY-HNNXBMFYSA-N 1 1 248.370 1.433 40 0 BDABMO C[N@@H+](CCO)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393490 384133025 /nfs/dbraw/zinc/13/30/25/384133025.db2.gz VTHPLPMGJMJYLY-HNNXBMFYSA-N 1 1 248.370 1.433 40 0 BDABMO CN(CCO)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393490 384133031 /nfs/dbraw/zinc/13/30/31/384133031.db2.gz VTHPLPMGJMJYLY-HNNXBMFYSA-N 1 1 248.370 1.433 40 0 BDABMO CN(CCO)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393490 384133035 /nfs/dbraw/zinc/13/30/35/384133035.db2.gz VTHPLPMGJMJYLY-HNNXBMFYSA-N 1 1 248.370 1.433 40 0 BDABMO CC(=O)N(C[C@H]1CCCC[N@H+]1CCO)C(C)C ZINC000079416522 384139828 /nfs/dbraw/zinc/13/98/28/384139828.db2.gz YHATVSHLKLEILE-CYBMUJFWSA-N 1 1 242.363 1.090 40 0 BDABMO CC(C)[N@@H+](C)C[C@@H]1CCCCN1CCO ZINC000079418496 384144615 /nfs/dbraw/zinc/14/46/15/384144615.db2.gz OUVBLQVROAHJLI-LBPRGKRZSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)N(C)C[C@@H]1CCCC[N@@H+]1CCO ZINC000079418496 384144622 /nfs/dbraw/zinc/14/46/22/384144622.db2.gz OUVBLQVROAHJLI-LBPRGKRZSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)N(C)C[C@@H]1CCCC[N@H+]1CCO ZINC000079418496 384144630 /nfs/dbraw/zinc/14/46/30/384144630.db2.gz OUVBLQVROAHJLI-LBPRGKRZSA-N 1 1 214.353 1.173 40 0 BDABMO FC(F)(F)Cc1noc([C@@H]2CCCC[NH2+]2)n1 ZINC000042413026 384216849 /nfs/dbraw/zinc/21/68/49/384216849.db2.gz DTYBFUUREDZJGA-LURJTMIESA-N 1 1 235.209 1.989 40 0 BDABMO c1cncc(-c2nnc([C@@H]3CCC[NH2+]C3)[nH]2)c1 ZINC000012114033 384308535 /nfs/dbraw/zinc/30/85/35/384308535.db2.gz KHBKSNQUUZMONT-SNVBAGLBSA-N 1 1 229.287 1.334 40 0 BDABMO CCOC[C@@H]1C[N@@H+](CC2CC2)Cc2ncn(C)c21 ZINC000096060222 384431174 /nfs/dbraw/zinc/43/11/74/384431174.db2.gz IDODUAGGQXQLBH-LBPRGKRZSA-N 1 1 249.358 1.766 40 0 BDABMO COC[C@]12CCCO[C@@H]1CC[N@@H+](CC1CC1)C2 ZINC000096056768 384432476 /nfs/dbraw/zinc/43/24/76/384432476.db2.gz UDHXMYVILOGCFL-ZIAGYGMSSA-N 1 1 239.359 1.914 40 0 BDABMO CCC1=N[C@@]2(CC[C@@H]3C[N@H+](CC)C[C@@H]32)C(=O)N1C ZINC000096100698 384435430 /nfs/dbraw/zinc/43/54/30/384435430.db2.gz HLYYBHZLSFLRIZ-UHIISALHSA-N 1 1 249.358 1.367 40 0 BDABMO Cc1c2c(cc3c1[C@H](O)C[N@@H+](C)C3)OCO2 ZINC000096171904 384439151 /nfs/dbraw/zinc/43/91/51/384439151.db2.gz NDWDKKMPLUOFFN-SECBINFHSA-N 1 1 221.256 1.203 40 0 BDABMO Cc1c2c(cc3c1[C@H](O)C[N@H+](C)C3)OCO2 ZINC000096171904 384439162 /nfs/dbraw/zinc/43/91/62/384439162.db2.gz NDWDKKMPLUOFFN-SECBINFHSA-N 1 1 221.256 1.203 40 0 BDABMO O=C1NCC[C@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096223787 384443533 /nfs/dbraw/zinc/44/35/33/384443533.db2.gz VFEGKQAGVQMSTH-ZDUSSCGKSA-N 1 1 234.299 1.382 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000100040759 384610248 /nfs/dbraw/zinc/61/02/48/384610248.db2.gz LNTDJAQQPGLCGB-QWHCGFSZSA-N 1 1 249.310 1.042 40 0 BDABMO CC[NH+](CC)[C@](C)(CC)[C@H](CN)CO ZINC000072210357 385067382 /nfs/dbraw/zinc/06/73/82/385067382.db2.gz MLFOMDOARNOWFZ-GHMZBOCLSA-N 1 1 202.342 1.064 40 0 BDABMO CC(C)[C@@H]([NH3+])c1nc(-c2ccc(O)cc2)n[nH]1 ZINC000095534723 385045349 /nfs/dbraw/zinc/04/53/49/385045349.db2.gz QSOSFNSPFBGXRU-SNVBAGLBSA-N 1 1 232.287 1.833 40 0 BDABMO Cc1cc(N)[nH+]cc1[C@H]1CCCN1C=O ZINC000072218488 385100269 /nfs/dbraw/zinc/10/02/69/385100269.db2.gz QCXBTQGAHHGUEI-SNVBAGLBSA-N 1 1 205.261 1.266 40 0 BDABMO CC(=O)N1CCC[C@H]1c1ccc(N)[nH+]c1C ZINC000072218553 385100704 /nfs/dbraw/zinc/10/07/04/385100704.db2.gz UIOCOHGPBAOAFO-NSHDSACASA-N 1 1 219.288 1.656 40 0 BDABMO CCS(=O)(=O)[C@H](C)[C@H]([NH3+])c1ccccc1F ZINC000096524832 385275500 /nfs/dbraw/zinc/27/55/00/385275500.db2.gz XHELDRBUPLVQIX-KCJUWKMLSA-N 1 1 245.319 1.649 40 0 BDABMO CC[C@H]([C@@H]([NH3+])c1ccccc1F)S(C)(=O)=O ZINC000096524894 385276846 /nfs/dbraw/zinc/27/68/46/385276846.db2.gz MZVSQCWMUMSRHL-MNOVXSKESA-N 1 1 245.319 1.649 40 0 BDABMO c1ccc2c(c1)CNC[C@H]2[NH+]1CCCC1 ZINC000020270306 385368494 /nfs/dbraw/zinc/36/84/94/385368494.db2.gz AEOIWUMKLYANOM-CYBMUJFWSA-N 1 1 202.301 1.927 40 0 BDABMO C[C@H](O)C[NH+]1CCC[C@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000095097501 385434556 /nfs/dbraw/zinc/43/45/56/385434556.db2.gz QQVNFJUUBWYODO-AVGNSLFASA-N 1 1 226.364 1.173 40 0 BDABMO C[C@H](O)C[NH+]1CCC[C@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000095097501 385434557 /nfs/dbraw/zinc/43/45/57/385434557.db2.gz QQVNFJUUBWYODO-AVGNSLFASA-N 1 1 226.364 1.173 40 0 BDABMO C[C@H](O)CN1CCC[C@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000095097501 385434560 /nfs/dbraw/zinc/43/45/60/385434560.db2.gz QQVNFJUUBWYODO-AVGNSLFASA-N 1 1 226.364 1.173 40 0 BDABMO C[C@H](O)CN1CCC[C@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000095097501 385434563 /nfs/dbraw/zinc/43/45/63/385434563.db2.gz QQVNFJUUBWYODO-AVGNSLFASA-N 1 1 226.364 1.173 40 0 BDABMO CN1CCC([N@H+]2CCC[C@@H]2c2ccncn2)CC1 ZINC000257242036 385755002 /nfs/dbraw/zinc/75/50/02/385755002.db2.gz IATSKTODWFLPPM-CQSZACIVSA-N 1 1 246.358 1.708 40 0 BDABMO C[NH+]1CCC(N2CCC[C@@H]2c2ccncn2)CC1 ZINC000257242036 385755004 /nfs/dbraw/zinc/75/50/04/385755004.db2.gz IATSKTODWFLPPM-CQSZACIVSA-N 1 1 246.358 1.708 40 0 BDABMO Cn1c[nH+]cc1[C@H]1CCCN(c2cnccn2)C1 ZINC000257277451 385759618 /nfs/dbraw/zinc/75/96/18/385759618.db2.gz NYAQETCZSSIJDD-NSHDSACASA-N 1 1 243.314 1.594 40 0 BDABMO Cc1ccc(CN2C[C@H]3C[C@@]3(C[NH3+])C2)cc1 ZINC000216531013 385867232 /nfs/dbraw/zinc/86/72/32/385867232.db2.gz KLKXQMSUZMOTNO-ZIAGYGMSSA-N 1 1 216.328 1.776 40 0 BDABMO O=C1CCC[C@@H]2[C@@H](CC[N@H+]2Cc2ccccc2)N1 ZINC000219773296 385944519 /nfs/dbraw/zinc/94/45/19/385944519.db2.gz RVRIOCFQMTYOCH-ZIAGYGMSSA-N 1 1 244.338 1.930 40 0 BDABMO CCn1cc(-c2noc([C@H](C)[NH3+])n2)c(C)n1 ZINC000575410790 387014772 /nfs/dbraw/zinc/01/47/72/387014772.db2.gz JEPCBMQLJYFUTQ-LURJTMIESA-N 1 1 221.264 1.281 40 0 BDABMO C[NH2+]Cc1nc([C@@H]2CCCSCC2)no1 ZINC000575415089 387022340 /nfs/dbraw/zinc/02/23/40/387022340.db2.gz PXRROLBUFLPUHR-MRVPVSSYSA-N 1 1 227.333 1.790 40 0 BDABMO Cc1c(CNCC[NH+](C)C)cnn1C(C)C ZINC000256054172 387862271 /nfs/dbraw/zinc/86/22/71/387862271.db2.gz VEVDEGOLODBZLW-UHFFFAOYSA-N 1 1 224.352 1.424 40 0 BDABMO CCCn1ccc(C[NH2+]Cc2cccn2C)n1 ZINC000256054710 387863156 /nfs/dbraw/zinc/86/31/56/387863156.db2.gz XLSAALFACOKWLT-UHFFFAOYSA-N 1 1 232.331 1.921 40 0 BDABMO C[NH2+][C@H](CN)c1ccc(Br)cc1 ZINC000050269827 387955381 /nfs/dbraw/zinc/95/53/81/387955381.db2.gz SMZZXIQFAQJFDI-SECBINFHSA-N 1 1 229.121 1.668 40 0 BDABMO CCOCCC[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225712283 388840903 /nfs/dbraw/zinc/84/09/03/388840903.db2.gz KZKNJYKAMVANNE-OLZOCXBDSA-N 1 1 226.364 1.629 40 0 BDABMO CCOCCC[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225712283 388840907 /nfs/dbraw/zinc/84/09/07/388840907.db2.gz KZKNJYKAMVANNE-OLZOCXBDSA-N 1 1 226.364 1.629 40 0 BDABMO OCC[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000031938334 132334775 /nfs/dbraw/zinc/33/47/75/132334775.db2.gz LAZLOSHAUSXAMB-UHFFFAOYSA-N 1 1 240.734 1.454 40 0 BDABMO CC(C)CCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082317747 166853159 /nfs/dbraw/zinc/85/31/59/166853159.db2.gz ZLGQVLJYRKEMHU-NSHDSACASA-N 1 1 212.337 1.491 40 0 BDABMO C[C@H](O)C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000248321713 410172770 /nfs/dbraw/zinc/17/27/70/410172770.db2.gz VAZXXAVHCHRHJJ-AAEUAGOBSA-N 1 1 220.316 1.989 40 0 biogenic,in-vitro BDABMO CCCC[N@@H+](C)Cc1cc(N)nn1CC ZINC000408716663 410715046 /nfs/dbraw/zinc/71/50/46/410715046.db2.gz PIQWXDXWPWFFFQ-UHFFFAOYSA-N 1 1 210.325 1.717 40 0 BDABMO CC(C)[N@@H+]1CCn2c(nnc2[C@@H]2CCCN2C)C1 ZINC000072373972 167028490 /nfs/dbraw/zinc/02/84/90/167028490.db2.gz QQFJOKBPCVWPPS-NSHDSACASA-N 1 1 249.362 1.269 40 0 BDABMO CC(C)[N@H+]1CCn2c(nnc2[C@@H]2CCCN2C)C1 ZINC000072373972 167028492 /nfs/dbraw/zinc/02/84/92/167028492.db2.gz QQFJOKBPCVWPPS-NSHDSACASA-N 1 1 249.362 1.269 40 0 BDABMO CCn1nc(N)cc1C[N@H+]1CCC[C@H](C)C1 ZINC000408716745 411257056 /nfs/dbraw/zinc/25/70/56/411257056.db2.gz QLLRKFOLZWZBKE-JTQLQIEISA-N 1 1 222.336 1.717 40 0 BDABMO CCn1cc2c(n1)[C@@H](COC)C[N@H+](CC1CC1)C2 ZINC000096059895 172199113 /nfs/dbraw/zinc/19/91/13/172199113.db2.gz FWSGVTZVNKTQBV-CYBMUJFWSA-N 1 1 249.358 1.859 40 0 BDABMO CCn1cncc1C[N@H+]1CCCC[C@@H]1CCO ZINC000013568259 172233435 /nfs/dbraw/zinc/23/34/35/172233435.db2.gz BMAMESFUABBTOQ-GFCCVEGCSA-N 1 1 237.347 1.640 40 0 BDABMO CCn1ncc(C[NH2+]Cc2cnn(C)c2)c1F ZINC000256051183 172255371 /nfs/dbraw/zinc/25/53/71/172255371.db2.gz IAZGBSMGBPSURA-UHFFFAOYSA-N 1 1 237.282 1.065 40 0 BDABMO CCn1nccc1C[NH2+]Cc1ccnn1CC ZINC000020349942 172270235 /nfs/dbraw/zinc/27/02/35/172270235.db2.gz FVEKXACVSPMNGJ-UHFFFAOYSA-N 1 1 233.319 1.409 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)N2CCc3ccccc32)C1 ZINC000082321795 173039696 /nfs/dbraw/zinc/03/96/96/173039696.db2.gz VDAPXHHTACNXHX-ZDUSSCGKSA-N 1 1 244.338 1.918 40 0 BDABMO C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccncc1F ZINC000096184250 173135262 /nfs/dbraw/zinc/13/52/62/173135262.db2.gz WZRKSNSHXBOGRL-NWDGAFQWSA-N 1 1 249.289 1.139 40 0 BDABMO CN1CC[C@H]([NH3+])[C@@H](Cc2ccccc2)C1 ZINC000238333000 173148351 /nfs/dbraw/zinc/14/83/51/173148351.db2.gz DPPPALZSPFEMNV-STQMWFEESA-N 1 1 204.317 1.508 40 0 BDABMO C[N@H+]1CCc2nc(NC[C@@H]3CCCO3)ncc2C1 ZINC000049474150 173173091 /nfs/dbraw/zinc/17/30/91/173173091.db2.gz JQZOVODKUHLQKM-NSHDSACASA-N 1 1 248.330 1.055 40 0 BDABMO C[N@@H+]1C[C@H]2CN(C(=O)Cc3ccccc3)C[C@H]2C1 ZINC000063527582 173197016 /nfs/dbraw/zinc/19/70/16/173197016.db2.gz ZHSCMOMDLZUXSV-OKILXGFUSA-N 1 1 244.338 1.249 40 0 BDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(Oc1ncccc1N)C2 ZINC000217515043 173207405 /nfs/dbraw/zinc/20/74/05/173207405.db2.gz AQADHDGSLYXBTA-ZACCUICWSA-N 1 1 233.315 1.668 40 0 BDABMO COCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000072381554 174308871 /nfs/dbraw/zinc/30/88/71/174308871.db2.gz JGVCNWJMZAKSTH-LBPRGKRZSA-N 1 1 220.316 1.907 40 0 BDABMO COc1ccc(C[NH2+]Cc2ccn(C)n2)cc1 ZINC000002536090 175107959 /nfs/dbraw/zinc/10/79/59/175107959.db2.gz MMHLVBYZTOUEPW-UHFFFAOYSA-N 1 1 231.299 1.719 40 0 BDABMO COc1ccc([C@@H]2CC(=O)CC[NH2+]2)cc1 ZINC000041213425 175181614 /nfs/dbraw/zinc/18/16/14/175181614.db2.gz KAHPTOIPDYIODH-LBPRGKRZSA-N 1 1 205.257 1.689 40 0 BDABMO COc1ccc2c(c1)OCC[C@]21COCC[NH2+]1 ZINC000306145849 175212224 /nfs/dbraw/zinc/21/22/24/175212224.db2.gz SJFGPMLWQKBOHC-ZDUSSCGKSA-N 1 1 235.283 1.293 40 0 BDABMO COc1cccc([C@@H]([NH3+])c2nnc(C)[nH]2)c1 ZINC000095533500 175288435 /nfs/dbraw/zinc/28/84/35/175288435.db2.gz RVHOETUNJQAVKN-SNVBAGLBSA-N 1 1 218.260 1.170 40 0 BDABMO COc1cccc([C@H]([NH3+])c2nnc(C)[nH]2)c1 ZINC000095533501 175294745 /nfs/dbraw/zinc/29/47/45/175294745.db2.gz RVHOETUNJQAVKN-JTQLQIEISA-N 1 1 218.260 1.170 40 0 BDABMO C[C@@H](c1ccccn1)[N@H+]1CCCC[C@@H]1CO ZINC000072203955 176027877 /nfs/dbraw/zinc/02/78/77/176027877.db2.gz TZMPUWQLONXYTH-NWDGAFQWSA-N 1 1 220.316 1.989 40 0 BDABMO C[C@@H](c1nccs1)[NH+]1CCC(CO)CC1 ZINC000072203831 176039242 /nfs/dbraw/zinc/03/92/42/176039242.db2.gz NDTSOZIFHIPDDV-VIFPVBQESA-N 1 1 226.345 1.908 40 0 BDABMO C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](C)C2)C1 ZINC000169951774 177094161 /nfs/dbraw/zinc/09/41/61/177094161.db2.gz FIUSVJRWHMQPEW-RYUDHWBXSA-N 1 1 224.348 1.587 40 0 BDABMO CCCCOC(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC000057418910 520721027 /nfs/dbraw/zinc/72/10/27/520721027.db2.gz DCAUNIBIBOKWOZ-GFCCVEGCSA-N 1 1 237.299 1.605 40 0 BDABMO CC(C)C[N@H+]1CCC[C@H](c2cc(CO)[nH]n2)C1 ZINC000072383174 343979970 /nfs/dbraw/zinc/97/99/70/343979970.db2.gz OADYJTOYSLFFKG-NSHDSACASA-N 1 1 237.347 1.737 40 0 BDABMO CC(C)C[N@@H+]1CCC[C@H](c2cc(CO)n[nH]2)C1 ZINC000072383174 343979972 /nfs/dbraw/zinc/97/99/72/343979972.db2.gz OADYJTOYSLFFKG-NSHDSACASA-N 1 1 237.347 1.737 40 0 BDABMO CC(C)C[N@H+]1CCC[C@H](c2cc(CO)n[nH]2)C1 ZINC000072383174 343979973 /nfs/dbraw/zinc/97/99/73/343979973.db2.gz OADYJTOYSLFFKG-NSHDSACASA-N 1 1 237.347 1.737 40 0 BDABMO CC(C)C[N@H+]1CCC[C@@H](c2cc(CO)[nH]n2)C1 ZINC000072383175 343980040 /nfs/dbraw/zinc/98/00/40/343980040.db2.gz OADYJTOYSLFFKG-LLVKDONJSA-N 1 1 237.347 1.737 40 0 BDABMO CC(C)C[N@@H+]1CCC[C@@H](c2cc(CO)n[nH]2)C1 ZINC000072383175 343980042 /nfs/dbraw/zinc/98/00/42/343980042.db2.gz OADYJTOYSLFFKG-LLVKDONJSA-N 1 1 237.347 1.737 40 0 BDABMO CC(C)C[N@H+]1CCC[C@@H](c2cc(CO)n[nH]2)C1 ZINC000072383175 343980044 /nfs/dbraw/zinc/98/00/44/343980044.db2.gz OADYJTOYSLFFKG-LLVKDONJSA-N 1 1 237.347 1.737 40 0 BDABMO Cc1cc([C@H]2CCC[N@@H+]2CC(N)=O)ccn1 ZINC000257288949 178265848 /nfs/dbraw/zinc/26/58/48/178265848.db2.gz PWJZFPGQYTWDCF-LLVKDONJSA-N 1 1 219.288 1.012 40 0 BDABMO Cc1cc([C@H]2CCC[N@H+]2CC(N)=O)ccn1 ZINC000257288949 178265849 /nfs/dbraw/zinc/26/58/49/178265849.db2.gz PWJZFPGQYTWDCF-LLVKDONJSA-N 1 1 219.288 1.012 40 0 BDABMO N[C@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000218874512 398243811 /nfs/dbraw/zinc/24/38/11/398243811.db2.gz WJGVXTQYDKCYTE-QWRGUYRKSA-N 1 1 210.346 1.760 40 0 BDABMO Cc1ccc(-c2noc(C[NH3+])n2)cc1C ZINC000073640809 178343884 /nfs/dbraw/zinc/34/38/84/178343884.db2.gz HKNBVTJFLNUKLH-UHFFFAOYSA-N 1 1 203.245 1.812 40 0 BDABMO Cc1ccc(-c2n[nH]c([C@@H](C)[NH3+])n2)cc1 ZINC000061843920 178331370 /nfs/dbraw/zinc/33/13/70/178331370.db2.gz AVMRBAQMKINRLM-MRVPVSSYSA-N 1 1 202.261 1.800 40 0 BDABMO CC(C)[C@@H]([C@@H](CN)CO)[NH+]1CCCCC1 ZINC000072210597 259317364 /nfs/dbraw/zinc/31/73/64/259317364.db2.gz HLBGNVNRZIRRAK-RYUDHWBXSA-N 1 1 214.353 1.064 40 0 BDABMO O=C(CC[N@@H+]1CCC[C@@H](CO)C1)c1ccccc1 ZINC000043220485 342790997 /nfs/dbraw/zinc/79/09/97/342790997.db2.gz XWPDSOSNNQNOSM-CYBMUJFWSA-N 1 1 247.338 1.964 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228297 259323063 /nfs/dbraw/zinc/32/30/63/259323063.db2.gz ZXIJYYOKKAEBJR-BDAKNGLRSA-N 1 1 244.216 1.546 40 0 BDABMO c1cc([C@H]2CCC[N@H+]2C2CCOCC2)n[nH]1 ZINC000019695454 187252527 /nfs/dbraw/zinc/25/25/27/187252527.db2.gz NZTHGLCNTMPTCR-GFCCVEGCSA-N 1 1 221.304 1.726 40 0 BDABMO Cc1ccc(NC(=O)C[NH+](C)C)cc1C ZINC000014218186 346987009 /nfs/dbraw/zinc/98/70/09/346987009.db2.gz IJSUFZZSBASNHT-UHFFFAOYSA-N 1 1 206.289 1.804 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)N2CCc3ccccc32)C1 ZINC000082321797 187281879 /nfs/dbraw/zinc/28/18/79/187281879.db2.gz VDAPXHHTACNXHX-CYBMUJFWSA-N 1 1 244.338 1.918 40 0 BDABMO CC[N@H+]1CCC2(CN(C(=O)C3CC(F)C3)C2)C1 ZINC000585099680 344132075 /nfs/dbraw/zinc/13/20/75/344132075.db2.gz WYTZAOCLMPYTEK-UHFFFAOYSA-N 1 1 240.322 1.289 40 0 BDABMO [NH3+][C@@H]1C(=O)N(C2CC2)[C@@H]1c1cccc(F)c1 ZINC000256051559 344144985 /nfs/dbraw/zinc/14/49/85/344144985.db2.gz JQBQNFXMUUQVIO-WDEREUQCSA-N 1 1 220.247 1.199 40 0 BDABMO COCc1cncc2c1CC[N@@H+]([C@H]1CCOC1)C2 ZINC000096189300 187289014 /nfs/dbraw/zinc/28/90/14/187289014.db2.gz BQRBIAOLACEYBO-ZDUSSCGKSA-N 1 1 248.326 1.375 40 0 BDABMO COCc1cncc2c1CC[N@H+]([C@H]1CCOC1)C2 ZINC000096189300 187289015 /nfs/dbraw/zinc/28/90/15/187289015.db2.gz BQRBIAOLACEYBO-ZDUSSCGKSA-N 1 1 248.326 1.375 40 0 BDABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)N(C)C ZINC000096055792 344366017 /nfs/dbraw/zinc/36/60/17/344366017.db2.gz UGKZHXUBRSWFNB-NWDGAFQWSA-N 1 1 239.363 1.473 40 0 BDABMO C[C@H]([NH3+])CCN1CCc2ccccc2C1 ZINC000037401864 348421631 /nfs/dbraw/zinc/42/16/31/348421631.db2.gz BNCZXIZSYAGCLA-NSHDSACASA-N 1 1 204.317 1.782 40 0 BDABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000205689789 348576090 /nfs/dbraw/zinc/57/60/90/348576090.db2.gz BZYJPJQGIZGTFJ-NSHDSACASA-N 1 1 205.305 1.917 40 0 BDABMO Cc1[nH+]ccn1Cc1ccc(C(=O)N(C)C)cc1 ZINC000038832653 180267859 /nfs/dbraw/zinc/26/78/59/180267859.db2.gz QMAIIZJXRZDNNM-UHFFFAOYSA-N 1 1 243.310 1.942 40 0 BDABMO COc1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000038040534 187943182 /nfs/dbraw/zinc/94/31/82/187943182.db2.gz OHPWZUVJXHLOOP-UHFFFAOYSA-N 1 1 220.316 1.537 40 0 BDABMO Fc1cccc(O[C@H]2C[C@@H]3CNCC[N@@H+]3C2)c1 ZINC000107915977 181002516 /nfs/dbraw/zinc/00/25/16/181002516.db2.gz NOXHOBVVJWJJLT-YPMHNXCESA-N 1 1 236.290 1.251 40 0 BDABMO Fc1cccc(O[C@H]2C[C@@H]3CNCC[N@H+]3C2)c1 ZINC000107915977 181002518 /nfs/dbraw/zinc/00/25/18/181002518.db2.gz NOXHOBVVJWJJLT-YPMHNXCESA-N 1 1 236.290 1.251 40 0 BDABMO NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000049237524 181231585 /nfs/dbraw/zinc/23/15/85/181231585.db2.gz NUDIBXJALTUHJV-LLVKDONJSA-N 1 1 222.263 1.448 40 0 BDABMO NC(=O)C[N@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000049237524 181231587 /nfs/dbraw/zinc/23/15/87/181231587.db2.gz NUDIBXJALTUHJV-LLVKDONJSA-N 1 1 222.263 1.448 40 0 BDABMO NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000037460160 181265528 /nfs/dbraw/zinc/26/55/28/181265528.db2.gz VUDFHUKGOMAAOL-ZETCQYMHSA-N 1 1 219.071 1.479 40 0 BDABMO C[C@H](C1CC1)[N@@H+](C1CC1)[C@H]1CNCC[C@@]1(C)O ZINC000685936117 538757292 /nfs/dbraw/zinc/75/72/92/538757292.db2.gz FYAXTXJNIYAOCQ-DDTOSNHZSA-N 1 1 238.375 1.362 40 0 BDABMO C[C@H](C1CC1)N(C1CC1)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000685936117 538757297 /nfs/dbraw/zinc/75/72/97/538757297.db2.gz FYAXTXJNIYAOCQ-DDTOSNHZSA-N 1 1 238.375 1.362 40 0 BDABMO C[N@H+](CCc1ccccn1)CC1=COCCO1 ZINC000013568212 358433467 /nfs/dbraw/zinc/43/34/67/358433467.db2.gz OUHOPEWJRVXRPN-UHFFFAOYSA-N 1 1 234.299 1.444 40 0 BDABMO C[N@@H+](CCc1ccccn1)CC1=COCCO1 ZINC000013568212 358433470 /nfs/dbraw/zinc/43/34/70/358433470.db2.gz OUHOPEWJRVXRPN-UHFFFAOYSA-N 1 1 234.299 1.444 40 0 BDABMO CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000139185284 361585970 /nfs/dbraw/zinc/58/59/70/361585970.db2.gz BHOQHYOAFUMULA-ZIAGYGMSSA-N 1 1 216.328 1.823 40 0 BDABMO C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000139185284 361585975 /nfs/dbraw/zinc/58/59/75/361585975.db2.gz BHOQHYOAFUMULA-ZIAGYGMSSA-N 1 1 216.328 1.823 40 0 BDABMO C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000139185284 361585980 /nfs/dbraw/zinc/58/59/80/361585980.db2.gz BHOQHYOAFUMULA-ZIAGYGMSSA-N 1 1 216.328 1.823 40 0 BDABMO NC(=O)c1cnc([C@H]2CCCC[NH2+]2)s1 ZINC000205695297 368357691 /nfs/dbraw/zinc/35/76/91/368357691.db2.gz BEWFZDUWERKFII-ZCFIWIBFSA-N 1 1 211.290 1.057 40 0 BDABMO CC(C)CCN1C[C@@H]2C[NH2+][C@H](C)[C@@H](C2)C1 ZINC000095093777 371249115 /nfs/dbraw/zinc/24/91/15/371249115.db2.gz ASNWQCZZCXAZLN-AGIUHOORSA-N 1 1 210.365 1.962 40 0 BDABMO O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@@H]1CCCC[N@H+]1C3 ZINC000032297234 372174025 /nfs/dbraw/zinc/17/40/25/372174025.db2.gz JYIJIIVLEOETIQ-MQYQWHSLSA-N 1 1 248.370 1.872 40 0 biogenic,in-vitro BDABMO OCC[N@H+]1CCC[C@H]1CCc1ccncc1 ZINC000257289104 183075522 /nfs/dbraw/zinc/07/55/22/183075522.db2.gz PWZGHFMXMPKTOM-ZDUSSCGKSA-N 1 1 220.316 1.471 40 0 BDABMO OCCOC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079390532 183086528 /nfs/dbraw/zinc/08/65/28/183086528.db2.gz WLWNWKGPQLYDRR-CQSZACIVSA-N 1 1 235.327 1.660 40 0 BDABMO OCC[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000049801563 183092872 /nfs/dbraw/zinc/09/28/72/183092872.db2.gz XPXLFAQZPLERJX-ZDUSSCGKSA-N 1 1 220.316 1.819 40 0 BDABMO OC[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019375830 183124724 /nfs/dbraw/zinc/12/47/24/183124724.db2.gz SUKYWPRDGSUMNH-SNVBAGLBSA-N 1 1 231.299 1.377 40 0 BDABMO OC[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1 ZINC000019375830 183124726 /nfs/dbraw/zinc/12/47/26/183124726.db2.gz SUKYWPRDGSUMNH-SNVBAGLBSA-N 1 1 231.299 1.377 40 0 BDABMO OCc1cc([C@H]2CCC[N@H+]2CC2CC2)[nH]n1 ZINC000072350805 183162073 /nfs/dbraw/zinc/16/20/73/183162073.db2.gz IEKHMWOMMROBBU-GFCCVEGCSA-N 1 1 221.304 1.449 40 0 BDABMO O[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000038539000 183198016 /nfs/dbraw/zinc/19/80/16/183198016.db2.gz LXDOJAULAVPVLN-SNVBAGLBSA-N 1 1 213.227 1.531 40 0 BDABMO O[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000038539000 183198018 /nfs/dbraw/zinc/19/80/18/183198018.db2.gz LXDOJAULAVPVLN-SNVBAGLBSA-N 1 1 213.227 1.531 40 0 BDABMO O[C@H]1C[N@@H+](Cc2cccnc2)CC[C@@]12CCCO2 ZINC000257233790 183243260 /nfs/dbraw/zinc/24/32/60/183243260.db2.gz GQTAUBVJMHCBEF-KBPBESRZSA-N 1 1 248.326 1.197 40 0 BDABMO CCC[N@H+]1CCc2ncnc(N(C)C)c2CC1 ZINC000096187684 169209381 /nfs/dbraw/zinc/20/93/81/169209381.db2.gz BASKBWAATRZNKN-UHFFFAOYSA-N 1 1 234.347 1.353 40 0 BDABMO CC[N@H+](CCO)Cc1nc2ccccc2[nH]1 ZINC000001664129 383917979 /nfs/dbraw/zinc/91/79/79/383917979.db2.gz VGXHFHTVJXLJLC-UHFFFAOYSA-N 1 1 219.288 1.377 40 0 BDABMO CC[N@@H+](CCO)Cc1nc2ccccc2[nH]1 ZINC000001664129 383917986 /nfs/dbraw/zinc/91/79/86/383917986.db2.gz VGXHFHTVJXLJLC-UHFFFAOYSA-N 1 1 219.288 1.377 40 0 BDABMO CC(C)[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000072356944 384012962 /nfs/dbraw/zinc/01/29/62/384012962.db2.gz KEIRCUXDMDLLRR-SNVBAGLBSA-N 1 1 220.320 1.647 40 0 BDABMO C[N@@H+](CCO)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079393495 384132881 /nfs/dbraw/zinc/13/28/81/384132881.db2.gz NTKXQXSJYRKPCO-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CN(CCO)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393495 384132883 /nfs/dbraw/zinc/13/28/83/384132883.db2.gz NTKXQXSJYRKPCO-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CN(CCO)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393495 384132888 /nfs/dbraw/zinc/13/28/88/384132888.db2.gz NTKXQXSJYRKPCO-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000072228282 384202593 /nfs/dbraw/zinc/20/25/93/384202593.db2.gz QZJGSLDHBOPDRJ-DTWKUNHWSA-N 1 1 210.664 1.180 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000072228281 384202852 /nfs/dbraw/zinc/20/28/52/384202852.db2.gz QDRNLGISBRNDKC-BDAKNGLRSA-N 1 1 210.664 1.180 40 0 BDABMO Cc1ccc([C@H]2CCC[N@@H+](CCO)C2)nc1 ZINC000072381328 384216771 /nfs/dbraw/zinc/21/67/71/384216771.db2.gz KQZXWJZCXZNLEG-LBPRGKRZSA-N 1 1 220.316 1.562 40 0 BDABMO Cn1ccnc1C[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000072381943 384218612 /nfs/dbraw/zinc/21/86/12/384218612.db2.gz ICIQXDBUKQZMMQ-GFCCVEGCSA-N 1 1 249.358 1.464 40 0 BDABMO CC(C)C(=O)N1CC[C@]2(CC[N@H+]2CC2CC2)C1 ZINC000096228668 384447102 /nfs/dbraw/zinc/44/71/02/384447102.db2.gz QRXWRNDYILCRHC-AWEZNQCLSA-N 1 1 236.359 1.729 40 0 BDABMO CO[C@H]1C[N@@H+](Cc2ccccn2)[C@@H]2CCCO[C@@H]21 ZINC000096057410 384431746 /nfs/dbraw/zinc/43/17/46/384431746.db2.gz IOCYFHXAVSAGAU-RDBSUJKOSA-N 1 1 248.326 1.460 40 0 BDABMO CCOC[C@H]1C[N@@H+](CC2CC2)Cc2ncn(C)c21 ZINC000096060223 384432500 /nfs/dbraw/zinc/43/25/00/384432500.db2.gz IDODUAGGQXQLBH-GFCCVEGCSA-N 1 1 249.358 1.766 40 0 BDABMO CC(=O)C1=C(O)CC[N@H+](Cc2ccccc2)C1 ZINC000100129077 384618876 /nfs/dbraw/zinc/61/88/76/384618876.db2.gz BJCFFXXCSGAJQW-ZDUSSCGKSA-N 1 1 231.295 1.667 40 0 BDABMO CC(=O)C1=C(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000100129077 384618886 /nfs/dbraw/zinc/61/88/86/384618886.db2.gz BJCFFXXCSGAJQW-ZDUSSCGKSA-N 1 1 231.295 1.667 40 0 BDABMO CC(C)CCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082317745 384666689 /nfs/dbraw/zinc/66/66/89/384666689.db2.gz ZLGQVLJYRKEMHU-LLVKDONJSA-N 1 1 212.337 1.491 40 0 BDABMO COC(=O)[C@H]([NH3+])[C@@H](C)c1c[nH]c2ccccc21 ZINC000082299019 384661973 /nfs/dbraw/zinc/66/19/73/384661973.db2.gz MODKVBLBJQCEKA-QPUJVOFHSA-N 1 1 232.283 1.772 40 0 BDABMO Cc1ccn([C@@H](C)[C@@H]2CCC[N@@H+]2CCN)n1 ZINC000022763116 384774085 /nfs/dbraw/zinc/77/40/85/384774085.db2.gz TZNNEOLHPHZQRJ-RYUDHWBXSA-N 1 1 222.336 1.176 40 0 BDABMO Cc1ccn([C@@H](C)[C@@H]2CCC[N@H+]2CCN)n1 ZINC000022763116 384774091 /nfs/dbraw/zinc/77/40/91/384774091.db2.gz TZNNEOLHPHZQRJ-RYUDHWBXSA-N 1 1 222.336 1.176 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@H](c2ccc(F)cc2)C1 ZINC000080490221 384781441 /nfs/dbraw/zinc/78/14/41/384781441.db2.gz ZMPBLBRIIUTUJO-PWSUYJOCSA-N 1 1 209.264 1.463 40 0 BDABMO Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)C[C@H]32)s1 ZINC000107251462 384959522 /nfs/dbraw/zinc/95/95/22/384959522.db2.gz KRRHHNIMYDBJNW-WDEREUQCSA-N 1 1 236.340 1.519 40 0 BDABMO CSCC[C@H]([NH3+])c1nnc(C(C)C)o1 ZINC000072210630 385068760 /nfs/dbraw/zinc/06/87/60/385068760.db2.gz PSRVQBUIKBAKAF-ZETCQYMHSA-N 1 1 215.322 1.946 40 0 BDABMO C=Cc1ccc(N2CCOCC2)[nH+]c1C ZINC000072224607 385119040 /nfs/dbraw/zinc/11/90/40/385119040.db2.gz OBXBKTURLDAWDZ-UHFFFAOYSA-N 1 1 204.273 1.870 40 0 BDABMO CN1CCN(c2ncccc2[C@@H]2CCC[NH2+]2)CC1 ZINC000072216564 385098318 /nfs/dbraw/zinc/09/83/18/385098318.db2.gz WBKGAXLFHIQAHS-ZDUSSCGKSA-N 1 1 246.358 1.258 40 0 BDABMO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N)c(C)c1 ZINC000072218434 385101212 /nfs/dbraw/zinc/10/12/12/385101212.db2.gz CMUVNFCGNYWAOR-LLVKDONJSA-N 1 1 219.288 1.656 40 0 BDABMO Cc1[nH+]c(N)ccc1[C@H]1CCCCN1C=O ZINC000072218593 385101291 /nfs/dbraw/zinc/10/12/91/385101291.db2.gz OFKYBMQCQVOZCW-LLVKDONJSA-N 1 1 219.288 1.656 40 0 BDABMO CNc1cc(C)c([C@H]2CCCN2C=O)c[nH+]1 ZINC000072219028 385103389 /nfs/dbraw/zinc/10/33/89/385103389.db2.gz FDQFYMWZRDKOLC-LLVKDONJSA-N 1 1 219.288 1.725 40 0 BDABMO [NH3+][C@@H]1CCCN(Cc2cc(C3CC3)[nH]n2)C1 ZINC000096523559 385267763 /nfs/dbraw/zinc/26/77/63/385267763.db2.gz QQNRWURYYGPADG-SNVBAGLBSA-N 1 1 220.320 1.210 40 0 BDABMO Cc1c[nH]c([C@H]2CCCN(c3ncccn3)C2)[nH+]1 ZINC000257319348 385763953 /nfs/dbraw/zinc/76/39/53/385763953.db2.gz VRZUIPJTCORZDX-NSHDSACASA-N 1 1 243.314 1.892 40 0 BDABMO Clc1ccc2c(c1)[C@]1(CCO2)COCC[NH2+]1 ZINC000306145440 385994578 /nfs/dbraw/zinc/99/45/78/385994578.db2.gz FLMXCRSKJJCJDG-LBPRGKRZSA-N 1 1 239.702 1.938 40 0 BDABMO CCc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1 ZINC000224058165 386123954 /nfs/dbraw/zinc/12/39/54/386123954.db2.gz VJJPXMJTCOCJOL-UHFFFAOYSA-N 1 1 246.354 1.566 40 0 BDABMO [NH3+]CCSc1nc(-c2cccs2)n[nH]1 ZINC000224978317 386160758 /nfs/dbraw/zinc/16/07/58/386160758.db2.gz XDZVHXIZQJTQTQ-UHFFFAOYSA-N 1 1 226.330 1.584 40 0 BDABMO Cc1cc(C[NH+]2CCOCC2)c(C)n1C ZINC000226033118 386236209 /nfs/dbraw/zinc/23/62/09/386236209.db2.gz NKMFBPHCBSWIPO-UHFFFAOYSA-N 1 1 208.305 1.474 40 0 BDABMO CO[C@H]1Cn2cccc2C[N@H+](C(C)C)C1 ZINC000248031530 386740861 /nfs/dbraw/zinc/74/08/61/386740861.db2.gz XQZXSUKWUNYVTD-LBPRGKRZSA-N 1 1 208.305 1.727 40 0 BDABMO CC[N@@H+](CC[C@H]1CCOC1)CC(N)=O ZINC000331079261 386957335 /nfs/dbraw/zinc/95/73/35/386957335.db2.gz YARRYMTWQGOVSZ-VIFPVBQESA-N 1 1 200.282 1.270 40 0 BDABMO C[C@H]1CC[NH2+][C@@H]1c1nc2cccc(C(N)=O)c2[nH]1 ZINC000521205744 387124955 /nfs/dbraw/zinc/12/49/55/387124955.db2.gz FXRVOXLVQCUUGN-XVKPBYJWSA-N 1 1 244.298 1.332 40 0 BDABMO C[N@@H+](CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000052174678 387462938 /nfs/dbraw/zinc/46/29/38/387462938.db2.gz XWDWHCIALWSRIC-PBWFPOADSA-N 1 1 238.375 1.628 40 0 BDABMO CC(C)n1cc(CNCC[NH+](C)C)cn1 ZINC000226645206 387856917 /nfs/dbraw/zinc/85/69/17/387856917.db2.gz MQKDGZBJPAYXLS-UHFFFAOYSA-N 1 1 210.325 1.115 40 0 BDABMO FCCn1cc(C[NH2+]Cc2ccco2)cn1 ZINC000256053504 387860874 /nfs/dbraw/zinc/86/08/74/387860874.db2.gz RSAWSZWHZOUBQB-UHFFFAOYSA-N 1 1 223.251 1.735 40 0 BDABMO CCCn1nccc1C[NH2+]Cc1c(C)cnn1C ZINC000256054742 387863539 /nfs/dbraw/zinc/86/35/39/387863539.db2.gz XOUWWCXKWQTJFJ-UHFFFAOYSA-N 1 1 247.346 1.625 40 0 BDABMO CCC[C@H]1C[C@H](O)C[N@H+]1CCOCC ZINC000217877524 388382859 /nfs/dbraw/zinc/38/28/59/388382859.db2.gz GPEHGFXDSBXEBE-QWRGUYRKSA-N 1 1 201.310 1.258 40 0 BDABMO COc1ccc([C@@H]([NH3+])c2nnc(C(C)C)[nH]2)cc1 ZINC000095533652 388777564 /nfs/dbraw/zinc/77/75/64/388777564.db2.gz QBNIEZCOOHQFSH-LLVKDONJSA-N 1 1 246.314 1.985 40 0 BDABMO CC(C)OCCC[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225716013 388840667 /nfs/dbraw/zinc/84/06/67/388840667.db2.gz SHGHLIYBOOHATO-OLZOCXBDSA-N 1 1 226.364 1.628 40 0 BDABMO CC(C)OCCC[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225716013 388840672 /nfs/dbraw/zinc/84/06/72/388840672.db2.gz SHGHLIYBOOHATO-OLZOCXBDSA-N 1 1 226.364 1.628 40 0 BDABMO COCCC[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225711683 388841414 /nfs/dbraw/zinc/84/14/14/388841414.db2.gz VYWZRUFXEWYJCB-NEPJUHHUSA-N 1 1 212.337 1.239 40 0 BDABMO COCCCN1CC[NH2+][C@@H]2CCCC[C@@H]21 ZINC000225711683 388841419 /nfs/dbraw/zinc/84/14/19/388841419.db2.gz VYWZRUFXEWYJCB-NEPJUHHUSA-N 1 1 212.337 1.239 40 0 BDABMO c1ccc(N2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000022029036 132332335 /nfs/dbraw/zinc/33/23/35/132332335.db2.gz LJGYWQOIKLPHKQ-UHFFFAOYSA-N 1 1 245.370 1.561 40 0 BDABMO Cc1cc(Cl)nc(N2CC[NH+](C)CC2)n1 ZINC000022073600 132332481 /nfs/dbraw/zinc/33/24/81/132332481.db2.gz DYIYVRAVYFCCPV-UHFFFAOYSA-N 1 1 226.711 1.190 40 0 BDABMO C[C@H]1C[N@@H+](CCO)CCN1c1ccccc1 ZINC000031938338 132334684 /nfs/dbraw/zinc/33/46/84/132334684.db2.gz XUUWFNWHQSONHA-LBPRGKRZSA-N 1 1 220.316 1.189 40 0 in-vitro BDABMO Nc1ccc[nH+]c1N1CCCC[C@@H]1CO ZINC000048857562 132355611 /nfs/dbraw/zinc/35/56/11/132355611.db2.gz JBHCUPGXQVCVBP-SECBINFHSA-N 1 1 207.277 1.015 40 0 BDABMO Cn1cccc1C[NH2+]Cc1ccn(C(F)F)n1 ZINC000256049810 398040822 /nfs/dbraw/zinc/04/08/22/398040822.db2.gz BNFBMLOCCUKFFT-UHFFFAOYSA-N 1 1 240.257 1.907 40 0 BDABMO C[C@@H]([NH2+]CCN(C)C)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000022863015 397976526 /nfs/dbraw/zinc/97/65/26/397976526.db2.gz ZLWXLJFFWVRCEU-RDBSUJKOSA-N 1 1 239.407 1.401 40 0 BDABMO C[C@@H]([NH2+]CCN(C)C)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000022863015 397976529 /nfs/dbraw/zinc/97/65/29/397976529.db2.gz ZLWXLJFFWVRCEU-RDBSUJKOSA-N 1 1 239.407 1.401 40 0 BDABMO COCC[N@H+]1C[C@@H](O)C[C@@H]1CC(C)C ZINC000217886557 174318512 /nfs/dbraw/zinc/31/85/12/174318512.db2.gz KCSROKQMPMKGEU-QWRGUYRKSA-N 1 1 201.310 1.114 40 0 BDABMO CC[NH+](CC)C1([C@H](CN)CO)CCCCC1 ZINC000072210379 322905953 /nfs/dbraw/zinc/90/59/53/322905953.db2.gz HUMKOKZQWODAKV-GFCCVEGCSA-N 1 1 228.380 1.598 40 0 BDABMO CC(C)[N@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257285283 167031750 /nfs/dbraw/zinc/03/17/50/167031750.db2.gz PGLDKGUCUXEUAE-CHWSQXEVSA-N 1 1 239.290 1.658 40 0 BDABMO CCn1nc(N)cc1C[N@H+]1CCCC[C@@H]1C ZINC000408717394 411258241 /nfs/dbraw/zinc/25/82/41/411258241.db2.gz ZKTAGXCYRVNOHW-JTQLQIEISA-N 1 1 222.336 1.860 40 0 BDABMO CCOCC[N@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257253364 170399447 /nfs/dbraw/zinc/39/94/47/170399447.db2.gz JYPGHPLGFHOVRY-GFCCVEGCSA-N 1 1 237.347 1.701 40 0 BDABMO CCOCC[N@@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257253364 170399449 /nfs/dbraw/zinc/39/94/49/170399449.db2.gz JYPGHPLGFHOVRY-GFCCVEGCSA-N 1 1 237.347 1.701 40 0 BDABMO CCOCC[N@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257253364 170399451 /nfs/dbraw/zinc/39/94/51/170399451.db2.gz JYPGHPLGFHOVRY-GFCCVEGCSA-N 1 1 237.347 1.701 40 0 BDABMO C[C@@H]1CCCC[N@H+]1Cc1cc(N)nn1C ZINC000408717134 411904417 /nfs/dbraw/zinc/90/44/17/411904417.db2.gz WDCJVLGDBRASLM-SECBINFHSA-N 1 1 208.309 1.377 40 0 BDABMO CCn1cc(C[NH2+]CCN)c2ccccc21 ZINC000095094947 172169743 /nfs/dbraw/zinc/16/97/43/172169743.db2.gz FHRCYLDBRNAFMG-UHFFFAOYSA-N 1 1 217.316 1.710 40 0 BDABMO CN1CC[N@@H+](C)CC(COCc2ccccc2)C1 ZINC000072374459 173072384 /nfs/dbraw/zinc/07/23/84/173072384.db2.gz KSKMFEGCVSIIOY-UHFFFAOYSA-N 1 1 248.370 1.697 40 0 BDABMO C[N@@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112171 173195634 /nfs/dbraw/zinc/19/56/34/173195634.db2.gz BJJPEAADAWKBLO-SKDRFNHKSA-N 1 1 249.289 1.732 40 0 biogenic,in-vitro BDABMO C[N@H+]1C[C@@H](F)[C@@H](OCc2nc3ccccc3[nH]2)C1 ZINC000096112171 173195635 /nfs/dbraw/zinc/19/56/35/173195635.db2.gz BJJPEAADAWKBLO-SKDRFNHKSA-N 1 1 249.289 1.732 40 0 biogenic,in-vitro BDABMO COCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000072381555 174306550 /nfs/dbraw/zinc/30/65/50/174306550.db2.gz JGVCNWJMZAKSTH-GFCCVEGCSA-N 1 1 220.316 1.907 40 0 BDABMO COc1ccc(-c2c(N)onc2C[NH+](C)C)cc1 ZINC000011851065 175030229 /nfs/dbraw/zinc/03/02/29/175030229.db2.gz FLBFFJXFEDNXQJ-UHFFFAOYSA-N 1 1 247.298 1.994 40 0 BDABMO COc1cccc(-c2cnc(C[NH3+])o2)c1 ZINC000041212579 175235183 /nfs/dbraw/zinc/23/51/83/175235183.db2.gz PPAIUOAXXQIECD-UHFFFAOYSA-N 1 1 204.229 1.809 40 0 BDABMO C[C@H](c1ccccn1)[N@@H+](CCO)C1CC1 ZINC000079421746 177043645 /nfs/dbraw/zinc/04/36/45/177043645.db2.gz UKWMZJHUYLTXTR-SNVBAGLBSA-N 1 1 206.289 1.599 40 0 BDABMO C[C@H](c1ccccn1)[N@H+]1CCCC[C@@H]1CO ZINC000072203956 177043830 /nfs/dbraw/zinc/04/38/30/177043830.db2.gz TZMPUWQLONXYTH-VXGBXAGGSA-N 1 1 220.316 1.989 40 0 BDABMO C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccccn1 ZINC000072397522 177280640 /nfs/dbraw/zinc/28/06/40/177280640.db2.gz FYKVCSDPYMFQBU-GXTWGEPZSA-N 1 1 231.343 1.750 40 0 BDABMO CCN(CC)CC[NH2+]Cc1ccccn1 ZINC000019919685 520687940 /nfs/dbraw/zinc/68/79/40/520687940.db2.gz NTYBDAULOJMFNT-UHFFFAOYSA-N 1 1 207.321 1.513 40 0 BDABMO CC(=O)c1cccc(N2CC[NH+](C)CC2)c1 ZINC000021988754 534889597 /nfs/dbraw/zinc/88/95/97/534889597.db2.gz UOADBNQWYZHSLK-UHFFFAOYSA-N 1 1 218.300 1.641 40 0 BDABMO C[N@H+]1CC[C@H](c2ccccc2F)C(CO)C1 ZINC001560407646 991459815 /nfs/dbraw/zinc/45/98/15/991459815.db2.gz WXHLRTXCEVNABD-NSHDSACASA-N 1 1 222.283 1.812 40 0 BDABMO Cc1c[nH]nc1[C@@H]1CC[N@H+](Cc2ccn(C)n2)C1 ZINC000257333017 187330631 /nfs/dbraw/zinc/33/06/31/187330631.db2.gz XZRMAXNAVHQBFG-LLVKDONJSA-N 1 1 245.330 1.441 40 0 BDABMO O=C1CCC[C@@H]2[C@@H]3C[C@H](CN12)[C@@H]1CCCC[N@H+]1C3 ZINC000002556369 342724085 /nfs/dbraw/zinc/72/40/85/342724085.db2.gz JYIJIIVLEOETIQ-YIYPIFLZSA-N 1 1 248.370 1.872 40 0 biogenic,in-vitro BDABMO COC[C@H](OC)c1ccc(C(=O)C[NH3+])cc1 ZINC000072220054 259318924 /nfs/dbraw/zinc/31/89/24/259318924.db2.gz LYAPBLPVAUZQTB-LBPRGKRZSA-N 1 1 223.272 1.162 40 0 BDABMO OC[C@]12C[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000252497349 259326057 /nfs/dbraw/zinc/32/60/57/259326057.db2.gz QEQDGRHQLCINHT-KBPBESRZSA-N 1 1 217.312 1.891 40 0 BDABMO CCOC[C@H]1C[N@@H+](CC2CC2)Cc2cnn(C)c21 ZINC000096060093 398312536 /nfs/dbraw/zinc/31/25/36/398312536.db2.gz SONKXFUNRVFJMJ-CYBMUJFWSA-N 1 1 249.358 1.766 40 0 BDABMO C[N@H+]1CCC=C(COC(=O)C(C)(C)C)C1 ZINC000001719724 187245258 /nfs/dbraw/zinc/24/52/58/187245258.db2.gz RODBCBOWDFPOOY-UHFFFAOYSA-N 1 1 211.305 1.838 40 0 BDABMO Nc1ncc2c(n1)C=C([NH+]1CCCC1)C2 ZINC000038700975 343378329 /nfs/dbraw/zinc/37/83/29/343378329.db2.gz PIDQTWZFSGTYMN-UHFFFAOYSA-N 1 1 202.261 1.052 40 0 BDABMO [NH3+][C@]1(c2ccccc2Cl)CCC[C@@H](O)C1=O ZINC000040449805 343404108 /nfs/dbraw/zinc/40/41/08/343404108.db2.gz CFBVGSWSOJBYGC-PWSUYJOCSA-N 1 1 239.702 1.608 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1ccccc1Cl ZINC000096526031 343759895 /nfs/dbraw/zinc/75/98/95/343759895.db2.gz BDBXBHYBBKDUBT-NXEZZACHSA-N 1 1 224.691 1.571 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000096526043 343759951 /nfs/dbraw/zinc/75/99/51/343759951.db2.gz NXIYHXGQDZAUOL-ZJUUUORDSA-N 1 1 224.691 1.571 40 0 BDABMO CN1CCCSCCC[N@H+](C)CCC1 ZINC000068604656 187275274 /nfs/dbraw/zinc/27/52/74/187275274.db2.gz PQQWBTWMXODBJY-UHFFFAOYSA-N 1 1 216.394 1.767 40 0 BDABMO CN1CCCSCCC[N@@H+](C)CCC1 ZINC000068604656 187275276 /nfs/dbraw/zinc/27/52/76/187275276.db2.gz PQQWBTWMXODBJY-UHFFFAOYSA-N 1 1 216.394 1.767 40 0 BDABMO O=C1C[C@]2(CN1)CCCC[N@H+]2Cc1cccnc1 ZINC000306130637 187356442 /nfs/dbraw/zinc/35/64/42/187356442.db2.gz JLUBGWHGZRVKOE-AWEZNQCLSA-N 1 1 245.326 1.326 40 0 BDABMO C[C@H]1[NH2+]CCn2c(COc3cccnc3)cnc21 ZINC000096207049 187288914 /nfs/dbraw/zinc/28/89/14/187288914.db2.gz WSVRXJRDXQQRHI-SNVBAGLBSA-N 1 1 244.298 1.521 40 0 BDABMO C=CC(=O)N1CC2(C1)CC[N@H+](C(C)C)C2 ZINC000096070809 187289251 /nfs/dbraw/zinc/28/92/51/187289251.db2.gz DURPXMLBYNIYQX-UHFFFAOYSA-N 1 1 208.305 1.115 40 0 BDABMO C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](O)CNC2CC2)C1 ZINC000216250340 259376693 /nfs/dbraw/zinc/37/66/93/259376693.db2.gz SRGZXIQVTVCGOL-WZRBSPASSA-N 1 1 226.364 1.077 40 0 BDABMO CC[N@H+]1CCC[C@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217950 344513597 /nfs/dbraw/zinc/51/35/97/344513597.db2.gz QSBCNQZOGXYWCX-NSHDSACASA-N 1 1 206.289 1.840 40 0 BDABMO CC(C)(O)[C@@H]1CCCN1c1[nH+]cnc2[nH]ccc21 ZINC000082200733 345496677 /nfs/dbraw/zinc/49/66/77/345496677.db2.gz XCKSFBNJMCSRHO-JTQLQIEISA-N 1 1 246.314 1.698 40 0 BDABMO CCCC[C@H]1C[C@H](O)C[N@H+]1CCOCC ZINC000217881473 187318980 /nfs/dbraw/zinc/31/89/80/187318980.db2.gz CVWULBIVPMKHKA-RYUDHWBXSA-N 1 1 215.337 1.648 40 0 BDABMO CC(C)[N@H+]1CC[C@@H](CO)N(C)c2cccnc2C1 ZINC000225496536 187320684 /nfs/dbraw/zinc/32/06/84/187320684.db2.gz FPPGMJBBFXOMIT-LBPRGKRZSA-N 1 1 249.358 1.493 40 0 biogenic,in-vitro BDABMO O=C(C[NH+]1CCCC1)Nc1ccccc1F ZINC000005022685 346609662 /nfs/dbraw/zinc/60/96/62/346609662.db2.gz PFOYIXIOJDBRON-UHFFFAOYSA-N 1 1 222.263 1.860 40 0 BDABMO Cc1cccc(OC2CC[NH+](CC(N)=O)CC2)c1 ZINC000072350991 179163018 /nfs/dbraw/zinc/16/30/18/179163018.db2.gz GJHWZIHELAXBGS-UHFFFAOYSA-N 1 1 248.326 1.324 40 0 BDABMO Cc1ccccc1C[N@H+]1CCNC[C@H]1C ZINC000041213201 179273617 /nfs/dbraw/zinc/27/36/17/179273617.db2.gz PYMOQJAVNRHYNW-GFCCVEGCSA-N 1 1 204.317 1.789 40 0 BDABMO Cc1ccccc1C[N@@H+]1CCNC[C@H]1C ZINC000041213201 179273619 /nfs/dbraw/zinc/27/36/19/179273619.db2.gz PYMOQJAVNRHYNW-GFCCVEGCSA-N 1 1 204.317 1.789 40 0 BDABMO FC(F)(F)c1[nH]nc2c1CC[C@H]1C[NH2+]C[C@@H]21 ZINC000205672195 348571514 /nfs/dbraw/zinc/57/15/14/348571514.db2.gz KQLVWBMMYFWVPI-CAHLUQPWSA-N 1 1 231.221 1.678 40 0 BDABMO CNc1ncc(C[NH2+]Cc2ccccn2)cn1 ZINC000062717478 259407522 /nfs/dbraw/zinc/40/75/22/259407522.db2.gz DQCXGDRSWRNQEJ-UHFFFAOYSA-N 1 1 229.287 1.203 40 0 BDABMO Cc1nccc(CN2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000072397559 180185708 /nfs/dbraw/zinc/18/57/08/180185708.db2.gz JHQBJEAFCMCDCR-BXUZGUMPSA-N 1 1 246.358 1.454 40 0 BDABMO Cc1ncnc2c1CC[N@@H+](CC1CCC1)CC2 ZINC000096187600 180291334 /nfs/dbraw/zinc/29/13/34/180291334.db2.gz CFONDENDQDYFQH-UHFFFAOYSA-N 1 1 231.343 1.986 40 0 BDABMO CC(C)(C)N1C(=O)[C@H]([NH3+])[C@H]1c1ccc(F)cc1 ZINC000256053349 351033811 /nfs/dbraw/zinc/03/38/11/351033811.db2.gz RCKAXZQXQSZYPS-GHMZBOCLSA-N 1 1 236.290 1.835 40 0 BDABMO O=C1N=CN=C2C[N@H+](Cc3ccccc3)CC[C@@H]12 ZINC000035269843 353409304 /nfs/dbraw/zinc/40/93/04/353409304.db2.gz ARGXWQQETZHTBW-GFCCVEGCSA-N 1 1 241.294 1.518 40 0 BDABMO O=C1N=CN=C2C[N@@H+](Cc3ccccc3)CC[C@@H]12 ZINC000035269843 353409307 /nfs/dbraw/zinc/40/93/07/353409307.db2.gz ARGXWQQETZHTBW-GFCCVEGCSA-N 1 1 241.294 1.518 40 0 BDABMO O=C1CCC[C@H]2[C@H]3CCC[N@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000006492903 353601282 /nfs/dbraw/zinc/60/12/82/353601282.db2.gz ZSBXGIUJOOQZMP-CXTNEJHOSA-N 1 1 248.370 1.872 40 0 biogenic,in-vitro BDABMO NC(=O)[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000037460161 181276624 /nfs/dbraw/zinc/27/66/24/181276624.db2.gz VUDFHUKGOMAAOL-SSDOTTSWSA-N 1 1 219.071 1.479 40 0 BDABMO Cn1ccc(C[NH2+]Cc2cccc(F)c2)n1 ZINC000020349078 357339769 /nfs/dbraw/zinc/33/97/69/357339769.db2.gz PHXQIBKLMFPPGY-UHFFFAOYSA-N 1 1 219.263 1.849 40 0 BDABMO Cc1c[nH]nc1[C@@]1(C)C[N@@H+](CC2CC2)CCO1 ZINC000205679149 368356877 /nfs/dbraw/zinc/35/68/77/368356877.db2.gz RVBJPWITZUSFHD-CYBMUJFWSA-N 1 1 235.331 1.676 40 0 BDABMO O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+]1CCCO ZINC000006241148 182376836 /nfs/dbraw/zinc/37/68/36/182376836.db2.gz RTAZFPUCDXTUAO-ZDUSSCGKSA-N 1 1 248.326 1.472 40 0 BDABMO OCC[N@H+](Cc1ccc(Cl)nn1)C1CC1 ZINC000079422382 183067728 /nfs/dbraw/zinc/06/77/28/183067728.db2.gz SDNJEXZIGCHSSG-UHFFFAOYSA-N 1 1 227.695 1.087 40 0 BDABMO OCC[N@@H+](Cc1ccc(Cl)nn1)C1CC1 ZINC000079422382 183067731 /nfs/dbraw/zinc/06/77/31/183067731.db2.gz SDNJEXZIGCHSSG-UHFFFAOYSA-N 1 1 227.695 1.087 40 0 BDABMO OCC[N@@H+](C[C@H]1COc2ccccc2O1)C1CC1 ZINC000048065502 183067974 /nfs/dbraw/zinc/06/79/74/183067974.db2.gz HVTNANVHJNGBOX-LBPRGKRZSA-N 1 1 249.310 1.283 40 0 BDABMO O[C@H]1[C@H](F)C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000096261802 183213349 /nfs/dbraw/zinc/21/33/49/183213349.db2.gz BYEXOWWLXPPDJB-REWJHTLYSA-N 1 1 235.302 1.837 40 0 BDABMO O[C@H]1C[N@H+](C2CCCC2)CC[C@@]12CCCO2 ZINC000257281917 183242023 /nfs/dbraw/zinc/24/20/23/183242023.db2.gz ORLVAEDTURWRAN-STQMWFEESA-N 1 1 225.332 1.545 40 0 BDABMO CCC[N@@H+]1CC=C(c2nn3cnnc3s2)CC1 ZINC000073636298 169185991 /nfs/dbraw/zinc/18/59/91/169185991.db2.gz HBMZGQDJQJUXDK-UHFFFAOYSA-N 1 1 249.343 1.685 40 0 BDABMO CCC[N@H+]1CCC[C@H]2Cc3nc(N)ncc3C[C@@H]21 ZINC000008584876 169201094 /nfs/dbraw/zinc/20/10/94/169201094.db2.gz TUFADSGTJUOBEH-GWCFXTLKSA-N 1 1 246.358 1.648 40 0 in-vitro BDABMO CCCOC(=O)[C@H]([NH3+])Cc1ccc(OC)cc1 ZINC000006380624 169300819 /nfs/dbraw/zinc/30/08/19/169300819.db2.gz PCFVZINRWMVPEB-GFCCVEGCSA-N 1 1 237.299 1.518 40 0 BDABMO OCC[NH2+]C[C@H]1CCN(Cc2ccccc2)C1 ZINC000034264453 383862602 /nfs/dbraw/zinc/86/26/02/383862602.db2.gz OLMHHSBJCGAUHX-CQSZACIVSA-N 1 1 234.343 1.090 40 0 BDABMO NC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000035677005 384088958 /nfs/dbraw/zinc/08/89/58/384088958.db2.gz OOXAINRQIVQQDU-SSDOTTSWSA-N 1 1 205.088 1.952 40 0 BDABMO CC(=O)N[C@H]1CCCC[C@@H]1[N@H+](CCO)C(C)C ZINC000079405452 384133529 /nfs/dbraw/zinc/13/35/29/384133529.db2.gz KFMFJKAQLUCOSW-STQMWFEESA-N 1 1 242.363 1.136 40 0 BDABMO O=C1CCC[C@H]2[C@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000005816968 384132432 /nfs/dbraw/zinc/13/24/32/384132432.db2.gz ZSBXGIUJOOQZMP-XFMPKHEZSA-N 1 1 248.370 1.872 40 0 BDABMO CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)[O-])CC1 ZINC000079419753 384141585 /nfs/dbraw/zinc/14/15/85/384141585.db2.gz HKXLRJCDRLWODJ-UHFFFAOYSA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[N@@H+](CC(=O)[O-])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177725 384282346 /nfs/dbraw/zinc/28/23/46/384282346.db2.gz VWXPKAUYGWEATB-TXEJJXNPSA-N 1 1 242.363 1.654 40 0 BDABMO C(C[N@@H+]1CC[C@@]2(CCCO2)C1)N1CCCC1 ZINC000096051035 384429367 /nfs/dbraw/zinc/42/93/67/384429367.db2.gz AZRYLRAVCPXQAT-ZDUSSCGKSA-N 1 1 224.348 1.337 40 0 BDABMO C(C[N@H+]1CC[C@@]2(CCCO2)C1)N1CCCC1 ZINC000096051035 384429377 /nfs/dbraw/zinc/42/93/77/384429377.db2.gz AZRYLRAVCPXQAT-ZDUSSCGKSA-N 1 1 224.348 1.337 40 0 BDABMO CCc1ccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]32)o1 ZINC000096186175 384440424 /nfs/dbraw/zinc/44/04/24/384440424.db2.gz USPIDYUEZWGMPH-STQMWFEESA-N 1 1 248.326 1.695 40 0 BDABMO c1ccc2c(c1)CN[C@@H]1C[N@H+](CC3CC3)C[C@@H]21 ZINC000096157355 384440618 /nfs/dbraw/zinc/44/06/18/384440618.db2.gz ICGAQMOENXHHMM-LSDHHAIUSA-N 1 1 228.339 1.968 40 0 BDABMO c1ccc2c(c1)C[NH2+][C@@H]1CN(CC3CC3)C[C@@H]21 ZINC000096157355 384440625 /nfs/dbraw/zinc/44/06/25/384440625.db2.gz ICGAQMOENXHHMM-LSDHHAIUSA-N 1 1 228.339 1.968 40 0 BDABMO COC[C@@H]1Cn2cncc2C[N@H+](C2CCC2)C1 ZINC000096206789 384443216 /nfs/dbraw/zinc/44/32/16/384443216.db2.gz JOAKSVFAXPXOAP-NSHDSACASA-N 1 1 235.331 1.514 40 0 BDABMO COCc1cncc2c1CC[N@@H+]([C@@H]1CCOC1)C2 ZINC000096189299 384443288 /nfs/dbraw/zinc/44/32/88/384443288.db2.gz BQRBIAOLACEYBO-CYBMUJFWSA-N 1 1 248.326 1.375 40 0 BDABMO COCc1cncc2c1CC[N@H+]([C@@H]1CCOC1)C2 ZINC000096189299 384443290 /nfs/dbraw/zinc/44/32/90/384443290.db2.gz BQRBIAOLACEYBO-CYBMUJFWSA-N 1 1 248.326 1.375 40 0 BDABMO CN(C)Cc1cnc2n1CC[N@H+](CC1CC1)CC2 ZINC000096196816 384443731 /nfs/dbraw/zinc/44/37/31/384443731.db2.gz IFGNWEIUEKYSQS-UHFFFAOYSA-N 1 1 248.374 1.213 40 0 BDABMO CCN(CC)CC[NH2+]Cc1ccncc1 ZINC000097050793 384492101 /nfs/dbraw/zinc/49/21/01/384492101.db2.gz NTKPZWPROLAKJF-UHFFFAOYSA-N 1 1 207.321 1.513 40 0 BDABMO c1c(-c2cccnc2)nc2n1CC[NH2+]C2 ZINC000083984018 384966102 /nfs/dbraw/zinc/96/61/02/384966102.db2.gz HKYBQFIYEPCXHO-UHFFFAOYSA-N 1 1 200.245 1.048 40 0 BDABMO Cc1nnc([C@@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095533927 385036741 /nfs/dbraw/zinc/03/67/41/385036741.db2.gz FVCBOYUCIYRIPQ-VIFPVBQESA-N 1 1 222.679 1.815 40 0 BDABMO CCN1CCN(c2ncc(C[NH2+]C)cc2C)CC1 ZINC000072222598 385112448 /nfs/dbraw/zinc/11/24/48/385112448.db2.gz DZQKZIFDHFWDPG-UHFFFAOYSA-N 1 1 248.374 1.251 40 0 BDABMO O=C1N[C@@H](Cc2ccccc2)C[N@@H+]2CCCC[C@@H]12 ZINC000004098810 385136896 /nfs/dbraw/zinc/13/68/96/385136896.db2.gz CUANCTHYEDWUMU-KBPBESRZSA-N 1 1 244.338 1.582 40 0 biogenic,in-vitro BDABMO O=C1N[C@@H](Cc2ccccc2)C[N@H+]2CCCC[C@@H]12 ZINC000004098810 385136901 /nfs/dbraw/zinc/13/69/01/385136901.db2.gz CUANCTHYEDWUMU-KBPBESRZSA-N 1 1 244.338 1.582 40 0 biogenic,in-vitro BDABMO [NH3+][C@H]1CCCN(Cc2n[nH]c3c2CCCC3)C1 ZINC000096523543 385266454 /nfs/dbraw/zinc/26/64/54/385266454.db2.gz IPZDWPJGRACUGD-JTQLQIEISA-N 1 1 234.347 1.212 40 0 BDABMO Cc1noc([C@]2(C)C[N@H+](C(C)C)CCO2)n1 ZINC000257274557 385757689 /nfs/dbraw/zinc/75/76/89/385757689.db2.gz NLODQMNIBTYYQV-NSHDSACASA-N 1 1 225.292 1.334 40 0 BDABMO Cc1noc([C@]2(C)C[N@@H+](C(C)C)CCO2)n1 ZINC000257274557 385757694 /nfs/dbraw/zinc/75/76/94/385757694.db2.gz NLODQMNIBTYYQV-NSHDSACASA-N 1 1 225.292 1.334 40 0 BDABMO c1cc([C@H]2CCN(Cc3cncnc3)C2)n[nH]1 ZINC000257335316 385764403 /nfs/dbraw/zinc/76/44/03/385764403.db2.gz YJQHYZPTYGZSCU-NSHDSACASA-N 1 1 229.287 1.189 40 0 BDABMO CCC[NH+](CCC)C[C@H](O)CNC1CC1 ZINC000036950389 385824571 /nfs/dbraw/zinc/82/45/71/385824571.db2.gz GTJCMTPGSORVRS-GFCCVEGCSA-N 1 1 214.353 1.221 40 0 BDABMO CC[NH+](CC)[C@H](CN)c1ccc2c(c1)CCO2 ZINC000037363624 386230089 /nfs/dbraw/zinc/23/00/89/386230089.db2.gz DPIMLYSVINCYCY-CYBMUJFWSA-N 1 1 234.343 1.963 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000225609339 386675463 /nfs/dbraw/zinc/67/54/63/386675463.db2.gz SWAUYCLOTDOUDN-GHMZBOCLSA-N 1 1 235.283 1.053 40 0 BDABMO CC[C@@H](CO)[NH2+][C@@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000004129037 387562511 /nfs/dbraw/zinc/56/25/11/387562511.db2.gz DIQREXVGAWIWBR-FIQHERPVSA-N 1 1 214.353 1.076 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000144231327 387579774 /nfs/dbraw/zinc/57/97/74/387579774.db2.gz VNJDWHIKXSJJGX-VXGBXAGGSA-N 1 1 219.284 1.505 40 0 BDABMO CCN(CC)CC[NH2+]Cc1cc(C)nn1C ZINC000084243682 387855157 /nfs/dbraw/zinc/85/51/57/387855157.db2.gz KPLNQZFOGWTDLZ-UHFFFAOYSA-N 1 1 224.352 1.160 40 0 BDABMO CC[C@@H](C)n1nccc1CNCC[NH+](C)C ZINC000256050186 387858072 /nfs/dbraw/zinc/85/80/72/387858072.db2.gz DBQVUVNYEYSQCC-LLVKDONJSA-N 1 1 224.352 1.505 40 0 BDABMO CNc1ccc(C[NH+]2CCOCC2)cc1 ZINC000082710763 388040545 /nfs/dbraw/zinc/04/05/45/388040545.db2.gz OELUZVAXTQPFAY-UHFFFAOYSA-N 1 1 206.289 1.561 40 0 BDABMO CN1CCC[C@@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242750663 388400405 /nfs/dbraw/zinc/40/04/05/388400405.db2.gz ZVFZUUAVIAYGQA-PSASIEDQSA-N 1 1 220.320 1.513 40 0 BDABMO COC(=O)[C@@H]([NH3+])[C@H](C)c1c[nH]c2ccccc21 ZINC000082299017 388587102 /nfs/dbraw/zinc/58/71/02/388587102.db2.gz MODKVBLBJQCEKA-PELKAZGASA-N 1 1 232.283 1.772 40 0 BDABMO Cc1ccc(O[C@H]2C[C@H]3CNCC[N@@H+]3C2)cc1 ZINC000107243948 388616428 /nfs/dbraw/zinc/61/64/28/388616428.db2.gz HBGDTJGRCMSULY-JSGCOSHPSA-N 1 1 232.327 1.420 40 0 BDABMO Cc1ccc(O[C@H]2C[C@H]3CNCC[N@H+]3C2)cc1 ZINC000107243948 388616429 /nfs/dbraw/zinc/61/64/29/388616429.db2.gz HBGDTJGRCMSULY-JSGCOSHPSA-N 1 1 232.327 1.420 40 0 BDABMO Nc1n[nH]c([C@@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095534052 388777619 /nfs/dbraw/zinc/77/76/19/388777619.db2.gz QHMRXHVJQWYKRG-ZETCQYMHSA-N 1 1 223.667 1.088 40 0 BDABMO CCN(CC)CC[NH2+]Cc1cn(CC)nc1C ZINC000256050417 169779784 /nfs/dbraw/zinc/77/97/84/169779784.db2.gz DYONJOAYVSFRDJ-UHFFFAOYSA-N 1 1 238.379 1.643 40 0 BDABMO CCOC(=O)CCNCCC[NH+](CC)CC ZINC000036667889 170208893 /nfs/dbraw/zinc/20/88/93/170208893.db2.gz URQSJKMHXOCTGI-UHFFFAOYSA-N 1 1 230.352 1.261 40 0 BDABMO CCOC(=O)[C@@H]([NH3+])Cc1ccccc1C ZINC000061892913 170253478 /nfs/dbraw/zinc/25/34/78/170253478.db2.gz AUCRQTYOSJMLBE-NSHDSACASA-N 1 1 207.273 1.428 40 0 BDABMO CCOC(=O)c1ccc([C@H]2COCC[NH2+]2)cc1 ZINC000306145984 170297755 /nfs/dbraw/zinc/29/77/55/170297755.db2.gz XYBQGRSFKUNUPP-GFCCVEGCSA-N 1 1 235.283 1.524 40 0 BDABMO C[C@H]1CCC[N@@H+](Cc2cc(N)nn2C)C1 ZINC000408716671 411926869 /nfs/dbraw/zinc/92/68/69/411926869.db2.gz PNYXBTHXNGGLAN-VIFPVBQESA-N 1 1 208.309 1.234 40 0 BDABMO CCc1ncnc2c1CC[N@@H+](CC1CC1)CC2 ZINC000096255048 172033854 /nfs/dbraw/zinc/03/38/54/172033854.db2.gz RYSLZIRYORZDDS-UHFFFAOYSA-N 1 1 231.343 1.850 40 0 BDABMO CCn1cc(C[NH2+]Cc2cc(C)nn2C)cn1 ZINC000256050861 172171927 /nfs/dbraw/zinc/17/19/27/172171927.db2.gz GUHFXQBULWMEGT-UHFFFAOYSA-N 1 1 233.319 1.235 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1ccnc2nccn21 ZINC000257325992 173035547 /nfs/dbraw/zinc/03/55/47/173035547.db2.gz WVHZAVDZASMQMQ-SECBINFHSA-N 1 1 202.261 1.496 40 0 BDABMO C[N@H+]1CCC[C@H]1c1cncc(N2CCOC2=O)n1 ZINC000257332724 173058890 /nfs/dbraw/zinc/05/88/90/173058890.db2.gz XYJXYVJXAQDPRO-JTQLQIEISA-N 1 1 248.286 1.200 40 0 BDABMO C[NH+]1CCN(c2noc(-c3ccccc3)n2)CC1 ZINC000302137938 173096462 /nfs/dbraw/zinc/09/64/62/173096462.db2.gz ILYMHATUCFUZBR-UHFFFAOYSA-N 1 1 244.298 1.488 40 0 BDABMO C[N@H+]1CC[C@H](NN)c2cc(Cl)ccc2C1 ZINC000096510462 173154398 /nfs/dbraw/zinc/15/43/98/173154398.db2.gz WSVNPXGKJJDSSM-NSHDSACASA-N 1 1 225.723 1.680 40 0 BDABMO COCC[N@@H+]1CCCC[C@H]1c1csc(N)n1 ZINC000072367910 174305804 /nfs/dbraw/zinc/30/58/04/174305804.db2.gz ZGKRCALNLNWBGL-JTQLQIEISA-N 1 1 241.360 1.899 40 0 BDABMO COCC[N@H+]1CCCC[C@H]1c1csc(N)n1 ZINC000072367910 174305805 /nfs/dbraw/zinc/30/58/05/174305805.db2.gz ZGKRCALNLNWBGL-JTQLQIEISA-N 1 1 241.360 1.899 40 0 BDABMO COc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000038538714 175327524 /nfs/dbraw/zinc/32/75/24/175327524.db2.gz IXGUDVWQYVCUHK-LLVKDONJSA-N 1 1 207.273 1.262 40 0 BDABMO C[C@@H]([C@@H]([NH3+])c1ccccc1F)S(C)(=O)=O ZINC000096524785 176011128 /nfs/dbraw/zinc/01/11/28/176011128.db2.gz QXIPBQJHLJBOJM-OIBJUYFYSA-N 1 1 231.292 1.259 40 0 BDABMO C[C@@H]1CC[NH2+][C@H]1c1nc2cccc(C(N)=O)c2[nH]1 ZINC000095635473 176186943 /nfs/dbraw/zinc/18/69/43/176186943.db2.gz FXRVOXLVQCUUGN-GMSGAONNSA-N 1 1 244.298 1.332 40 0 BDABMO Cc1cc(C[N@H+]2C[C@@H]3C[C@@H](O)C[C@@H]3C2)no1 ZINC000257216894 178007613 /nfs/dbraw/zinc/00/76/13/178007613.db2.gz CWOHNXNDXRJKJA-IAZYJMLFSA-N 1 1 222.288 1.186 40 0 BDABMO CC[N@H+]1CCCC[C@H]1c1ccnc(N)n1 ZINC000072361079 343979919 /nfs/dbraw/zinc/97/99/19/343979919.db2.gz CDHGKCODVQRJJN-JTQLQIEISA-N 1 1 206.293 1.606 40 0 BDABMO Cc1cc(N(CCO)c2ccccc2)nc(N)[nH+]1 ZINC000001675986 178101807 /nfs/dbraw/zinc/10/18/07/178101807.db2.gz DSJXSQYFMKXONB-UHFFFAOYSA-N 1 1 244.298 1.498 40 0 BDABMO Cc1c[nH]c([C@@H]2CCN(c3cc(C)ncn3)C2)[nH+]1 ZINC000257306532 178118131 /nfs/dbraw/zinc/11/81/31/178118131.db2.gz SUQIRJFJGCJAGN-LLVKDONJSA-N 1 1 243.314 1.810 40 0 BDABMO Cc1cc([C@H]2CCC[N@H+](CC(N)=O)C2)ccn1 ZINC000072366582 178265495 /nfs/dbraw/zinc/26/54/95/178265495.db2.gz ORDFBMRYCBFPBY-LBPRGKRZSA-N 1 1 233.315 1.055 40 0 BDABMO Cc1cc([C@H]2CCC[N@@H+](CC(N)=O)C2)ccn1 ZINC000072366582 178265499 /nfs/dbraw/zinc/26/54/99/178265499.db2.gz ORDFBMRYCBFPBY-LBPRGKRZSA-N 1 1 233.315 1.055 40 0 BDABMO C[C@](CO)(c1ccccc1)[NH+]1CCOCC1 ZINC000070453383 259313826 /nfs/dbraw/zinc/31/38/26/259313826.db2.gz CGCGCKPXVMVUFF-ZDUSSCGKSA-N 1 1 221.300 1.226 40 0 BDABMO CC[NH+](CC)CCCCNc1ccnc(N)n1 ZINC000001640927 342706914 /nfs/dbraw/zinc/70/69/14/342706914.db2.gz SQKDBRWLBUKFKJ-UHFFFAOYSA-N 1 1 237.351 1.593 40 0 BDABMO CCO[C@H](C)c1ccc(C(=O)C[NH3+])cc1 ZINC000072219862 259318797 /nfs/dbraw/zinc/31/87/97/259318797.db2.gz PBCYQEIEVFMQPZ-SECBINFHSA-N 1 1 207.273 1.926 40 0 BDABMO CCN(CC)c1[nH+]cc(CCO)cc1C ZINC000072221127 259319631 /nfs/dbraw/zinc/31/96/31/259319631.db2.gz SNFGXIQNTRIOQO-UHFFFAOYSA-N 1 1 208.305 1.771 40 0 BDABMO O=C(CC[N@@H+]1CCC[C@H](CO)C1)c1ccccc1 ZINC000043220484 342790831 /nfs/dbraw/zinc/79/08/31/342790831.db2.gz XWPDSOSNNQNOSM-ZDUSSCGKSA-N 1 1 247.338 1.964 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@H]1c1ccccc1Cl ZINC000072228276 259322741 /nfs/dbraw/zinc/32/27/41/259322741.db2.gz PWOBDSLRPMOWOO-RKDXNWHRSA-N 1 1 210.664 1.180 40 0 BDABMO COc1ccc([C@H]2C[N@@H+](C)C[C@H]2CO)cc1 ZINC000242547834 259325931 /nfs/dbraw/zinc/32/59/31/259325931.db2.gz KUYYGVJYJPSSMR-WCQYABFASA-N 1 1 221.300 1.333 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccc(C)o1 ZINC000217671229 398322489 /nfs/dbraw/zinc/32/24/89/398322489.db2.gz LEWINZHAPWFTQH-VHSXEESVSA-N 1 1 223.272 1.406 40 0 BDABMO COCCC[NH2+]C[C@@H]1CCCN2CCCC[C@@H]12 ZINC000584905918 343605616 /nfs/dbraw/zinc/60/56/16/343605616.db2.gz QLNBCBNCHNBBKX-KBPBESRZSA-N 1 1 240.391 1.877 40 0 BDABMO CNc1cc(N2CCC2)[nH+]c(C2CC2)n1 ZINC000379776482 343796321 /nfs/dbraw/zinc/79/63/21/343796321.db2.gz AESRWWZHWYELCT-UHFFFAOYSA-N 1 1 204.277 1.606 40 0 BDABMO NC(=O)[C@@]1(F)CC[N@@H+](Cc2ccccc2)C1 ZINC000575621949 343870328 /nfs/dbraw/zinc/87/03/28/343870328.db2.gz FWXAVFBYVKPAJP-GFCCVEGCSA-N 1 1 222.263 1.086 40 0 BDABMO COCc1nnc2n1CC[N@H+](C1CCC1)[C@@H]2C ZINC000585096758 344131490 /nfs/dbraw/zinc/13/14/90/344131490.db2.gz CHHKTUAPDDCYMU-SECBINFHSA-N 1 1 236.319 1.354 40 0 BDABMO COCc1nnc2n1CC[N@@H+](C1CCC1)[C@@H]2C ZINC000585096758 344131492 /nfs/dbraw/zinc/13/14/92/344131492.db2.gz CHHKTUAPDDCYMU-SECBINFHSA-N 1 1 236.319 1.354 40 0 BDABMO CCN1CCC([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086728846 344222099 /nfs/dbraw/zinc/22/20/99/344222099.db2.gz YUIMDAZMDDAEQG-NSHDSACASA-N 1 1 240.347 1.267 40 0 BDABMO CC[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086728846 344222100 /nfs/dbraw/zinc/22/21/00/344222100.db2.gz YUIMDAZMDDAEQG-NSHDSACASA-N 1 1 240.347 1.267 40 0 BDABMO CC[NH+]1CCC([N@H+]2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000086728846 344222102 /nfs/dbraw/zinc/22/21/02/344222102.db2.gz YUIMDAZMDDAEQG-NSHDSACASA-N 1 1 240.347 1.267 40 0 BDABMO C[N@H+]1CCC[C@H](c2cncc(-c3ncco3)n2)C1 ZINC000585261113 344372819 /nfs/dbraw/zinc/37/28/19/344372819.db2.gz YWPCLZYYTURCQW-JTQLQIEISA-N 1 1 244.298 1.941 40 0 BDABMO Cc1cccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@H]32)c1 ZINC000107205315 179083161 /nfs/dbraw/zinc/08/31/61/179083161.db2.gz WHIREDCXKRHTAY-ZIAGYGMSSA-N 1 1 244.338 1.848 40 0 BDABMO Cc1ccccc1-c1n[nH]c([C@H](C)[NH3+])n1 ZINC000082510269 179236542 /nfs/dbraw/zinc/23/65/42/179236542.db2.gz CMANGHUIHQDMLT-QMMMGPOBSA-N 1 1 202.261 1.800 40 0 BDABMO Cn1cc[nH+]c1Nc1ccnc(Cl)n1 ZINC000038579814 348714062 /nfs/dbraw/zinc/71/40/62/348714062.db2.gz LFZJKSFKXUEAMT-UHFFFAOYSA-N 1 1 209.640 1.607 40 0 BDABMO Cc1[nH+]ccn1-c1nc(Cl)ncc1F ZINC000003111972 180231394 /nfs/dbraw/zinc/23/13/94/180231394.db2.gz JSZZNCCMRURFCA-UHFFFAOYSA-N 1 1 212.615 1.763 40 0 BDABMO O=C(c1ccco1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932106 350321906 /nfs/dbraw/zinc/32/19/06/350321906.db2.gz DFKAJRQXHHANAN-SNVBAGLBSA-N 1 1 220.272 1.200 40 0 BDABMO [NH3+][C@H]1C(=O)N(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000256052230 351033852 /nfs/dbraw/zinc/03/38/52/351033852.db2.gz MMESDOYNVGBLPW-GHMZBOCLSA-N 1 1 220.247 1.199 40 0 BDABMO COC(=O)[C@@H]([NH3+])Cc1c(C)[nH]c2ccccc21 ZINC000044670728 352655834 /nfs/dbraw/zinc/65/58/34/352655834.db2.gz AAGMGVFODZUQBI-NSHDSACASA-N 1 1 232.283 1.519 40 0 BDABMO COC(=O)[C@@H]([NH3+])Cc1c[nH]c2cccc(F)c12 ZINC000044909641 352656546 /nfs/dbraw/zinc/65/65/46/352656546.db2.gz ZIYNPXVEKXATPA-VIFPVBQESA-N 1 1 236.246 1.350 40 0 BDABMO CC(=O)NC1C[C@H]2CCC[N@@H+]3CCC[C@@H](C1)C23 ZINC000001697877 188100450 /nfs/dbraw/zinc/10/04/50/188100450.db2.gz DHIVDSFQGJRQIR-VTXSZYRJSA-N 1 1 236.359 1.776 40 0 BDABMO CC(C)(C)c1cc(CN2CC[NH2+]CC2)n[nH]1 ZINC000082652022 188139566 /nfs/dbraw/zinc/13/95/66/188139566.db2.gz YRIMIWTXHQCPAT-UHFFFAOYSA-N 1 1 222.336 1.112 40 0 BDABMO O=C1C=CC[C@@H]2[C@@H]3CCC[N@H+]4CCC[C@H](CN12)[C@H]34 ZINC000005282946 355735356 /nfs/dbraw/zinc/73/53/56/355735356.db2.gz AAGFPTSOPGCENQ-QVHKTLOISA-N 1 1 246.354 1.648 40 0 BDABMO NC(=O)[C@@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000037460224 181265479 /nfs/dbraw/zinc/26/54/79/181265479.db2.gz QBNYVGOKHZBVMH-ZETCQYMHSA-N 1 1 219.071 1.479 40 0 BDABMO CC(C)[N@@H+](C1CCCC1)[C@@H]1CNCC[C@@]1(C)O ZINC000685936088 538756981 /nfs/dbraw/zinc/75/69/81/538756981.db2.gz DIPWZUMYBYQZTB-ZIAGYGMSSA-N 1 1 240.391 1.752 40 0 BDABMO CCCn1nccc1C[NH2+]Cc1ccnn1CC ZINC000020349943 357339931 /nfs/dbraw/zinc/33/99/31/357339931.db2.gz BKDVXQAAWVQARR-UHFFFAOYSA-N 1 1 247.346 1.799 40 0 BDABMO Nc1ccc2ccn(Cc3[nH]cc[nH+]3)c2c1 ZINC000257197870 370682217 /nfs/dbraw/zinc/68/22/17/370682217.db2.gz LVMZZUXERKMTSK-UHFFFAOYSA-N 1 1 212.256 1.995 40 0 BDABMO NCC[N@H+]1CCC[C@@H]1CCCn1cccn1 ZINC000022763152 181391344 /nfs/dbraw/zinc/39/13/44/181391344.db2.gz VKLFHQOQSBLRNB-GFCCVEGCSA-N 1 1 222.336 1.086 40 0 BDABMO [NH3+]CCN1CCC[C@@H]1CCCn1cccn1 ZINC000022763152 181391345 /nfs/dbraw/zinc/39/13/45/181391345.db2.gz VKLFHQOQSBLRNB-GFCCVEGCSA-N 1 1 222.336 1.086 40 0 BDABMO CCNC(=O)c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000205679539 368356112 /nfs/dbraw/zinc/35/61/12/368356112.db2.gz WQXGQMANOFWZRY-SNVBAGLBSA-N 1 1 248.330 1.036 40 0 BDABMO COC(=O)[C@]1(F)CC[N@H+](Cc2ccccc2)C1 ZINC000078624139 368423917 /nfs/dbraw/zinc/42/39/17/368423917.db2.gz UQMVXIDFYRQQIS-ZDUSSCGKSA-N 1 1 237.274 1.774 40 0 BDABMO COC(=O)[C@]1(F)CC[N@@H+](Cc2ccccc2)C1 ZINC000078624139 368423922 /nfs/dbraw/zinc/42/39/22/368423922.db2.gz UQMVXIDFYRQQIS-ZDUSSCGKSA-N 1 1 237.274 1.774 40 0 BDABMO CCc1nnc([C@H]([NH3+])c2cccc(OC)c2)[nH]1 ZINC000095533588 371301844 /nfs/dbraw/zinc/30/18/44/371301844.db2.gz CMNJASPKJZPSCU-LLVKDONJSA-N 1 1 232.287 1.424 40 0 BDABMO O=c1cccc2n1C[C@@H]1CCC[N@@H+]3CCC[C@H]2[C@H]13 ZINC000004083891 372133017 /nfs/dbraw/zinc/13/30/17/372133017.db2.gz MMCQRJPAMIHLQX-ZOWXZIJZSA-N 1 1 244.338 1.820 40 0 biogenic,in-vitro BDABMO COC(=O)[C@@]1([NH3+])CC[C@@H]1Cc1ccccc1 ZINC000242547813 372206212 /nfs/dbraw/zinc/20/62/12/372206212.db2.gz KTQNJNMKRQWVME-DGCLKSJQSA-N 1 1 219.284 1.510 40 0 BDABMO OCC[N@@H+](Cc1cccc(F)c1)C1CC1 ZINC000048065127 183071122 /nfs/dbraw/zinc/07/11/22/183071122.db2.gz HSZKVLWXENPBRS-UHFFFAOYSA-N 1 1 209.264 1.782 40 0 BDABMO OCCO[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390541 183086533 /nfs/dbraw/zinc/08/65/33/183086533.db2.gz VYINATSXGHFSQT-CQSZACIVSA-N 1 1 235.327 1.660 40 0 BDABMO OCCOC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079390533 183087082 /nfs/dbraw/zinc/08/70/82/183087082.db2.gz WLWNWKGPQLYDRR-AWEZNQCLSA-N 1 1 235.327 1.660 40 0 BDABMO OC[C@@H]1[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000100133255 183157902 /nfs/dbraw/zinc/15/79/02/183157902.db2.gz NMJRXNUMGKZPHG-CLLJXQQHSA-N 1 1 203.285 1.357 40 0 BDABMO O[C@H]1CC[N@@H+](CC2CC2)[C@H]1Cc1cccnc1 ZINC000096061638 183237854 /nfs/dbraw/zinc/23/78/54/183237854.db2.gz LHJPIKTVKVRODB-KBPBESRZSA-N 1 1 232.327 1.469 40 0 BDABMO O[C@H]1CC[N@H+](C2CCCC2)C[C@@]12CCCO2 ZINC000257206242 183238427 /nfs/dbraw/zinc/23/84/27/183238427.db2.gz BCNWXXGHOMHFIU-STQMWFEESA-N 1 1 225.332 1.545 40 0 BDABMO c1c[nH]c(-c2nc([C@@H]3CCCC[NH2+]3)no2)c1 ZINC000096516147 183323871 /nfs/dbraw/zinc/32/38/71/183323871.db2.gz LIMJFDUFOOWTDB-QMMMGPOBSA-N 1 1 218.260 1.879 40 0 BDABMO c1ccc(C[N@H+]2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000085224253 183398322 /nfs/dbraw/zinc/39/83/22/183398322.db2.gz AWHHKKHMEIVLFM-UHFFFAOYSA-N 1 1 246.354 1.641 40 0 BDABMO c1ccc(CN2CCOC3(CC[NH2+]CC3)C2)cc1 ZINC000085224253 183398324 /nfs/dbraw/zinc/39/83/24/183398324.db2.gz AWHHKKHMEIVLFM-UHFFFAOYSA-N 1 1 246.354 1.641 40 0 BDABMO CCC[C@@H]1C[C@H](O)C[N@H+]1CCOCC ZINC000217877447 169435826 /nfs/dbraw/zinc/43/58/26/169435826.db2.gz GPEHGFXDSBXEBE-MNOVXSKESA-N 1 1 201.310 1.258 40 0 BDABMO C[C@@H]1Cc2cc3c(cc2C[N@H+]1C)OCO3 ZINC000002048248 383948963 /nfs/dbraw/zinc/94/89/63/383948963.db2.gz ZLXWXQYVDYZSGF-MRVPVSSYSA-N 1 1 205.257 1.792 40 0 BDABMO O=C([O-])C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393336 384133920 /nfs/dbraw/zinc/13/39/20/384133920.db2.gz JWQSNSKVXDPBFK-ZDUSSCGKSA-N 1 1 248.326 1.183 40 0 BDABMO C[N@@H+](CCO)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393493 384134117 /nfs/dbraw/zinc/13/41/17/384134117.db2.gz NTKXQXSJYRKPCO-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO CN(CCO)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393493 384134121 /nfs/dbraw/zinc/13/41/21/384134121.db2.gz NTKXQXSJYRKPCO-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO CN(CCO)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393493 384134127 /nfs/dbraw/zinc/13/41/27/384134127.db2.gz NTKXQXSJYRKPCO-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO CC(=O)N[C@H]1CCCC[C@@H]1[N@@H+](CCN)C(C)C ZINC000079405698 384136138 /nfs/dbraw/zinc/13/61/38/384136138.db2.gz CIHCWDAEEWKLMH-STQMWFEESA-N 1 1 241.379 1.103 40 0 BDABMO CC(=O)N[C@H]1CCCC[C@@H]1[N@H+](CCN)C(C)C ZINC000079405698 384136140 /nfs/dbraw/zinc/13/61/40/384136140.db2.gz CIHCWDAEEWKLMH-STQMWFEESA-N 1 1 241.379 1.103 40 0 BDABMO Nc1nccc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072357345 384214858 /nfs/dbraw/zinc/21/48/58/384214858.db2.gz FQHWZKHGFMEONY-LBPRGKRZSA-N 1 1 248.330 1.375 40 0 BDABMO C=Cn1ncc(C[N@H+]2CCC[C@@H](CO)C2)c1C ZINC000072397868 384221268 /nfs/dbraw/zinc/22/12/68/384221268.db2.gz SQFCHFOSRBSOKI-GFCCVEGCSA-N 1 1 235.331 1.496 40 0 BDABMO C[C@H]([NH3+])c1nc(-c2ccc(F)cc2)n[nH]1 ZINC000061843930 384383781 /nfs/dbraw/zinc/38/37/81/384383781.db2.gz GLNJNMUGKZGLQA-LURJTMIESA-N 1 1 206.224 1.631 40 0 BDABMO COC[C@H]1C[N@@H+](CC2CC2)Cc2nn(C)cc21 ZINC000096060368 384430802 /nfs/dbraw/zinc/43/08/02/384430802.db2.gz JSXMEJQTTAGWEH-LLVKDONJSA-N 1 1 235.331 1.376 40 0 BDABMO c1ccc([C@@]23CCC[N@H+]2CCCN3)cc1 ZINC000019329191 384515383 /nfs/dbraw/zinc/51/53/83/384515383.db2.gz NAKGVDHHANMIQD-CYBMUJFWSA-N 1 1 202.301 1.929 40 0 BDABMO Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000082305811 384664065 /nfs/dbraw/zinc/66/40/65/384664065.db2.gz FWYVSUHKTKWJEY-AWEZNQCLSA-N 1 1 246.354 1.953 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)Nc2cccnc2)C1 ZINC000165495450 385136628 /nfs/dbraw/zinc/13/66/28/385136628.db2.gz XULVRWQNLNNTTN-SNVBAGLBSA-N 1 1 219.288 1.362 40 0 BDABMO CC(C)(C)OC(=O)[C@H]([NH3+])CC(F)(F)F ZINC000016159315 385402109 /nfs/dbraw/zinc/40/21/09/385402109.db2.gz TWAWKELJYPDHJO-RXMQYKEDSA-N 1 1 213.199 1.608 40 0 BDABMO BrC1=NO[C@H](C[NH+]2CCCC2)C1 ZINC000095098361 385494361 /nfs/dbraw/zinc/49/43/61/385494361.db2.gz WFEDXVVJGBKEBC-ZETCQYMHSA-N 1 1 233.109 1.580 40 0 BDABMO CO[C@H](c1noc(C[NH3+])n1)c1ccccc1 ZINC000072417710 386089758 /nfs/dbraw/zinc/08/97/58/386089758.db2.gz IJHPXROKYFAFAL-JTQLQIEISA-N 1 1 219.244 1.264 40 0 BDABMO [NH3+][C@H]1CCN2CCc3ccccc3[C@H]2C1 ZINC000247641462 386730425 /nfs/dbraw/zinc/73/04/25/386730425.db2.gz HNIYDVDUPHDDRF-WCQYABFASA-N 1 1 202.301 1.707 40 0 BDABMO O=C(C1CCCC1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932657 386943158 /nfs/dbraw/zinc/94/31/58/386943158.db2.gz CQLLMNRUJHSIOZ-GFCCVEGCSA-N 1 1 222.332 1.483 40 0 BDABMO C[C@H]1CC[NH2+][C@H]1c1nc2cccc(C(N)=O)c2[nH]1 ZINC000521205731 387125728 /nfs/dbraw/zinc/12/57/28/387125728.db2.gz FXRVOXLVQCUUGN-OIBJUYFYSA-N 1 1 244.298 1.332 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@@H](c2ccc(F)cc2)C1 ZINC000141681377 388410517 /nfs/dbraw/zinc/41/05/17/388410517.db2.gz ZMPBLBRIIUTUJO-ZYHUDNBSSA-N 1 1 209.264 1.463 40 0 BDABMO COC(=O)[C@@H](C(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000248248676 388675771 /nfs/dbraw/zinc/67/57/71/388675771.db2.gz RJCDTPYRVVDLGC-WDEREUQCSA-N 1 1 213.321 1.916 40 0 BDABMO Cn1cnc([C@@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095534063 388776185 /nfs/dbraw/zinc/77/61/85/388776185.db2.gz BBTLNUSOCGBFAQ-VIFPVBQESA-N 1 1 222.679 1.517 40 0 BDABMO Cn1cnc([C@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533370 388776883 /nfs/dbraw/zinc/77/68/83/388776883.db2.gz NVHPOESOHSLZJJ-SECBINFHSA-N 1 1 206.224 1.002 40 0 BDABMO Cc1nc([C@H]([NH3+])c2ccc(C)cc2)nn1C ZINC000095534207 388780348 /nfs/dbraw/zinc/78/03/48/388780348.db2.gz IVPTWYKUTUJRCF-LLVKDONJSA-N 1 1 216.288 1.480 40 0 BDABMO Cc1c[nH]nc1[C@@H]1CC[N@H+](C2CCOCC2)C1 ZINC000072381934 177680223 /nfs/dbraw/zinc/68/02/23/177680223.db2.gz IOFDCWMWQATEOA-LLVKDONJSA-N 1 1 235.331 1.686 40 0 BDABMO C[N@H+]1CCC[C@]2(CN(c3ccccc3)CCO2)C1 ZINC000063527631 132241654 /nfs/dbraw/zinc/24/16/54/132241654.db2.gz NUEAHVRCZBMZFA-OAHLLOKOSA-N 1 1 246.354 1.988 40 0 BDABMO COC(=O)C1CC[NH+](c2ccc(N)cc2C)CC1 ZINC000216931571 132271877 /nfs/dbraw/zinc/27/18/77/132271877.db2.gz DMKHEIYXHOMKRX-UHFFFAOYSA-N 1 1 248.326 1.967 40 0 BDABMO Cc1cc(N)c(N2CC[NH+](C)CC2)c(Cl)c1 ZINC000045886076 132298879 /nfs/dbraw/zinc/29/88/79/132298879.db2.gz CRDSPUBAMQVRKV-UHFFFAOYSA-N 1 1 239.750 1.982 40 0 BDABMO Nc1ccc[nH+]c1N1CCCC[C@@H]1CCO ZINC000019261693 132324281 /nfs/dbraw/zinc/32/42/81/132324281.db2.gz XPBIQHHLHPLVHS-SNVBAGLBSA-N 1 1 221.304 1.405 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1ccc(N2CCOCC2)cn1 ZINC000072374368 132396947 /nfs/dbraw/zinc/39/69/47/132396947.db2.gz KUIQRYLONPCFSO-CQSZACIVSA-N 1 1 247.342 1.685 40 0 BDABMO C[N@@H+](CC1(O)CCCC1)[C@H]1CCCC[C@H]1O ZINC000252726131 135102173 /nfs/dbraw/zinc/10/21/73/135102173.db2.gz NTQJWACWITTXLY-NWDGAFQWSA-N 1 1 227.348 1.527 40 0 BDABMO c1ccc(O[C@@H]2C[C@@H]3CNCC[N@H+]3C2)cc1 ZINC000101186271 398036028 /nfs/dbraw/zinc/03/60/28/398036028.db2.gz STDVRIRGBVBCJE-DGCLKSJQSA-N 1 1 218.300 1.112 40 0 BDABMO c1ccc(O[C@@H]2C[C@@H]3CNCC[N@@H+]3C2)cc1 ZINC000101186271 398036030 /nfs/dbraw/zinc/03/60/30/398036030.db2.gz STDVRIRGBVBCJE-DGCLKSJQSA-N 1 1 218.300 1.112 40 0 BDABMO CCC(=O)N1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000062108901 168219591 /nfs/dbraw/zinc/21/95/91/168219591.db2.gz PIJOXSFCKJZYSO-ZDUSSCGKSA-N 1 1 232.327 1.912 40 0 BDABMO CCC(=O)N1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000062108901 168219592 /nfs/dbraw/zinc/21/95/92/168219592.db2.gz PIJOXSFCKJZYSO-ZDUSSCGKSA-N 1 1 232.327 1.912 40 0 BDABMO CC[N@H+]1CC[C@@H](CO)N(C)c2cccnc2C1 ZINC000225495551 170010608 /nfs/dbraw/zinc/01/06/08/170010608.db2.gz QIPSGYMAHRQPEF-NSHDSACASA-N 1 1 235.331 1.104 40 0 biogenic,in-vitro BDABMO CC[N@H+]1CC[C@H](c2cc(=O)cc(C)[nH]2)C1 ZINC000257287973 170024467 /nfs/dbraw/zinc/02/44/67/170024467.db2.gz PSGNGWJSYJQNKY-JTQLQIEISA-N 1 1 206.289 1.905 40 0 BDABMO CCn1nc(C)c([C@@H]2COCC[NH2+]2)c1C ZINC000217457191 172248992 /nfs/dbraw/zinc/24/89/92/172248992.db2.gz YMZDBLOVCRWVTE-JTQLQIEISA-N 1 1 209.293 1.181 40 0 BDABMO CN(C)C(=O)Oc1ccc([C@H]2CCC[N@H+]2C)cn1 ZINC000002046766 172382579 /nfs/dbraw/zinc/38/25/79/172382579.db2.gz WWJUDKWORQNUFC-LLVKDONJSA-N 1 1 249.314 1.909 40 0 BDABMO CN(C)C(=O)Oc1ncccc1[C@@H]1CCC[N@H+]1C ZINC000001695368 172384128 /nfs/dbraw/zinc/38/41/28/172384128.db2.gz CXBVRHNOFNLISC-NSHDSACASA-N 1 1 249.314 1.909 40 0 BDABMO CN(C)c1cncc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072381279 173023957 /nfs/dbraw/zinc/02/39/57/173023957.db2.gz SMQZPISRUTZHRD-SNVBAGLBSA-N 1 1 220.320 1.352 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)NCc2cccnc2)C1 ZINC000082308548 173039660 /nfs/dbraw/zinc/03/96/60/173039660.db2.gz VMMUPJZVBSKQNM-LBPRGKRZSA-N 1 1 233.315 1.040 40 0 BDABMO CN(C)c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072381278 173048827 /nfs/dbraw/zinc/04/88/27/173048827.db2.gz SMQZPISRUTZHRD-JTQLQIEISA-N 1 1 220.320 1.352 40 0 BDABMO C[N@H+]1CCC[C@H](c2cnc(-n3ccnc3)cn2)C1 ZINC000072386557 173049121 /nfs/dbraw/zinc/04/91/21/173049121.db2.gz ANZSZKZBXQVQEG-NSHDSACASA-N 1 1 243.314 1.472 40 0 BDABMO CN1CC[N@@H+](CC2CC2)Cc2cccnc21 ZINC000096060918 173079491 /nfs/dbraw/zinc/07/94/91/173079491.db2.gz VTPAGAYCBLHRJL-UHFFFAOYSA-N 1 1 217.316 1.743 40 0 BDABMO C[NH+]1CCN(NC(=O)CCC2CCCC2)CC1 ZINC000005525521 173089204 /nfs/dbraw/zinc/08/92/04/173089204.db2.gz XLJMSPCVTSYCPN-UHFFFAOYSA-N 1 1 239.363 1.235 40 0 BDABMO CN1CCO[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096215828 173104285 /nfs/dbraw/zinc/10/42/85/173104285.db2.gz MMGKKVSUFGJNAC-LSDHHAIUSA-N 1 1 246.354 1.449 40 0 BDABMO C[N@@H+]1CCO[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000096215828 173104288 /nfs/dbraw/zinc/10/42/88/173104288.db2.gz MMGKKVSUFGJNAC-LSDHHAIUSA-N 1 1 246.354 1.449 40 0 BDABMO C[N@H+]1CCO[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 ZINC000096215828 173104291 /nfs/dbraw/zinc/10/42/91/173104291.db2.gz MMGKKVSUFGJNAC-LSDHHAIUSA-N 1 1 246.354 1.449 40 0 BDABMO C[N@H+]1CC[C@@H](Cc2ccnc(-c3cc[nH]n3)c2)C1 ZINC000257276936 173117307 /nfs/dbraw/zinc/11/73/07/173117307.db2.gz NVTLEYODTSBSPM-LBPRGKRZSA-N 1 1 242.326 1.966 40 0 BDABMO CN(C)c1cc(C[C@H]2CC[N@@H+](C)C2)ncn1 ZINC000072381292 173146704 /nfs/dbraw/zinc/14/67/04/173146704.db2.gz VBTISXPZWRQJSQ-SNVBAGLBSA-N 1 1 220.320 1.037 40 0 BDABMO CN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@]2(F)C1=O ZINC000096261727 173188949 /nfs/dbraw/zinc/18/89/49/173188949.db2.gz ZIQKANJBWPGOPV-TZMCWYRMSA-N 1 1 248.301 1.299 40 0 BDABMO C[N@H+]1C[C@@H]2C[C@]2(NC(=O)Cc2cccs2)C1 ZINC000096081843 173190824 /nfs/dbraw/zinc/19/08/24/173190824.db2.gz MSDIMUBFWXUZEX-CABZTGNLSA-N 1 1 236.340 1.111 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@H](c2ccccc2Cl)C1 ZINC000217672733 173192968 /nfs/dbraw/zinc/19/29/68/173192968.db2.gz DDZZQUCYKMUZND-MWLCHTKSSA-N 1 1 225.719 1.978 40 0 BDABMO COCC(=O)N1CCC2(CCCC[N@H+]2C)CC1 ZINC000096051208 174040359 /nfs/dbraw/zinc/04/03/59/174040359.db2.gz ICEJEOQUOKLMEA-UHFFFAOYSA-N 1 1 240.347 1.110 40 0 BDABMO COCC(=O)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013425060 174062861 /nfs/dbraw/zinc/06/28/61/174062861.db2.gz HFNRVGNQFRTRRF-NEPJUHHUSA-N 1 1 241.331 1.441 40 0 BDABMO COCCCN(CCC[NH3+])Cc1cccs1 ZINC000096523779 174222356 /nfs/dbraw/zinc/22/23/56/174222356.db2.gz XAIBOZFKJSXEBN-UHFFFAOYSA-N 1 1 242.388 1.935 40 0 BDABMO COCC[N@H+]1CCC[C@H]1c1cncc(C)n1 ZINC000072357055 174308217 /nfs/dbraw/zinc/30/82/17/174308217.db2.gz ZJZQUAUILANNCL-LBPRGKRZSA-N 1 1 221.304 1.568 40 0 BDABMO COCC[N@H+]1CC[C@@H](OC)[C@@H]1Cc1ccccc1 ZINC000096200065 174313904 /nfs/dbraw/zinc/31/39/04/174313904.db2.gz HJOYELJWFYWHMX-LSDHHAIUSA-N 1 1 249.354 1.965 40 0 BDABMO COCC[N@H+]1CC[C@H](O)[C@@H]1Cc1ccccc1 ZINC000096200365 174316017 /nfs/dbraw/zinc/31/60/17/174316017.db2.gz HJFFKKKKYSNFMV-KBPBESRZSA-N 1 1 235.327 1.311 40 0 BDABMO COc1ccc(F)c(C[NH+]2CCC(O)CC2)c1 ZINC000038539914 175124259 /nfs/dbraw/zinc/12/42/59/175124259.db2.gz HEUCXLTYOVGXHK-UHFFFAOYSA-N 1 1 239.290 1.791 40 0 BDABMO COc1cccc(CNC2CC[NH2+]CC2)c1 ZINC000038041463 175263011 /nfs/dbraw/zinc/26/30/11/175263011.db2.gz NPTLNWOEYIOFLU-UHFFFAOYSA-N 1 1 220.316 1.537 40 0 BDABMO COc1cccc2c1C[C@H](CO)[N@@H+](C)C2 ZINC000095470431 175303344 /nfs/dbraw/zinc/30/33/44/175303344.db2.gz KONKAKAQKXKOCP-SNVBAGLBSA-N 1 1 207.273 1.044 40 0 BDABMO C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](CO)C1 ZINC000100176675 176036710 /nfs/dbraw/zinc/03/67/10/176036710.db2.gz ZXTPHABXDVSFCI-WDEREUQCSA-N 1 1 221.304 1.242 40 0 BDABMO C[C@H]([C@@H]([NH3+])c1ccccc1F)S(C)(=O)=O ZINC000096524786 177030958 /nfs/dbraw/zinc/03/09/58/177030958.db2.gz QXIPBQJHLJBOJM-GMSGAONNSA-N 1 1 231.292 1.259 40 0 BDABMO C[C@H]1CNCC[N@@H+]1CCCc1ccccc1 ZINC000041232110 177283893 /nfs/dbraw/zinc/28/38/93/177283893.db2.gz PLDXPZMYCKMIKL-ZDUSSCGKSA-N 1 1 218.344 1.913 40 0 BDABMO C[C@H]1CNCC[N@H+]1CCCc1ccccc1 ZINC000041232110 177283895 /nfs/dbraw/zinc/28/38/95/177283895.db2.gz PLDXPZMYCKMIKL-ZDUSSCGKSA-N 1 1 218.344 1.913 40 0 BDABMO Cc1cc(N(C)N)[nH+]cc1Br ZINC000199546103 525029961 /nfs/dbraw/zinc/02/99/61/525029961.db2.gz KRHGQKAELLQFNM-UHFFFAOYSA-N 1 1 216.082 1.462 40 0 BDABMO Cc1ccccc1C[C@@H]1C[N@H+]2CCC[C@H]2CN1 ZINC000039957306 525194507 /nfs/dbraw/zinc/19/45/07/525194507.db2.gz VRIIUAGNYBJCGT-CABCVRRESA-N 1 1 230.355 1.974 40 0 BDABMO Cc1ccccc1C[C@H]1C[N@H+]2CCC[C@H]2CN1 ZINC000039957305 525200864 /nfs/dbraw/zinc/20/08/64/525200864.db2.gz VRIIUAGNYBJCGT-GJZGRUSLSA-N 1 1 230.355 1.974 40 0 BDABMO Cc1cc(F)ccc1C[N@H+]1CC[C@H](O)C1 ZINC000038538936 178086209 /nfs/dbraw/zinc/08/62/09/178086209.db2.gz DSAWDXREQMUHEF-LBPRGKRZSA-N 1 1 209.264 1.701 40 0 BDABMO Cc1cc(NN)c2cc3c(cc2[nH+]1)OCO3 ZINC000013208326 178176011 /nfs/dbraw/zinc/17/60/11/178176011.db2.gz SGSHZGYZRDZABO-UHFFFAOYSA-N 1 1 217.228 1.558 40 0 BDABMO [NH3+][C@H](c1noc(C2CC2)n1)[C@@H]1CCCO1 ZINC000070453717 259313751 /nfs/dbraw/zinc/31/37/51/259313751.db2.gz ZOQJUIAQKXXWOE-YUMQZZPRSA-N 1 1 209.249 1.126 40 0 BDABMO CCC(CC)[NH+]1CCN(S(=O)(=O)CC)CC1 ZINC000057509128 168376433 /nfs/dbraw/zinc/37/64/33/168376433.db2.gz JNUBHCOWFDPYNI-UHFFFAOYSA-N 1 1 248.392 1.142 40 0 BDABMO CC(C)[C@@H]([C@H](CN)CO)[NH+]1CCCCC1 ZINC000072210599 259317685 /nfs/dbraw/zinc/31/76/85/259317685.db2.gz HLBGNVNRZIRRAK-NEPJUHHUSA-N 1 1 214.353 1.064 40 0 BDABMO Nc1nc(N)c2c([nH+]1)CN(Cc1ccccc1)C2 ZINC000001698245 342710065 /nfs/dbraw/zinc/71/00/65/342710065.db2.gz WEPYXNZERLMONG-UHFFFAOYSA-N 1 1 241.298 1.157 40 0 BDABMO O=S1(=O)C[C@@]2([NH+]3CCCCC3)CCCC[C@@H]21 ZINC000001725413 342711427 /nfs/dbraw/zinc/71/14/27/342711427.db2.gz OOLYUTFOHFXSLT-RYUDHWBXSA-N 1 1 243.372 1.582 40 0 BDABMO O=C1CCC[C@H]2[C@@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@H]34 ZINC000004196456 342743593 /nfs/dbraw/zinc/74/35/93/342743593.db2.gz ZSBXGIUJOOQZMP-PWNZVWSESA-N 1 1 248.370 1.872 40 0 biogenic BDABMO COC(=O)[C@H](C(C)C)[N@H+]1CCC[C@H](C)C1 ZINC000035655761 342804595 /nfs/dbraw/zinc/80/45/95/342804595.db2.gz RJCDTPYRVVDLGC-QWRGUYRKSA-N 1 1 213.321 1.916 40 0 BDABMO COC[C@H]1C[N@@H+](CC2CC2)Cc2cn(C)nc21 ZINC000096059821 398312309 /nfs/dbraw/zinc/31/23/09/398312309.db2.gz ZNSVCIBWJJIJLQ-GFCCVEGCSA-N 1 1 235.331 1.376 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1cccc(OC)c1 ZINC000217670054 398322693 /nfs/dbraw/zinc/32/26/93/398322693.db2.gz LNISMTZZVFQDHO-CHWSQXEVSA-N 1 1 249.310 1.513 40 0 BDABMO CCOC(=O)c1cc(N)n(-c2cc[nH+]cc2)n1 ZINC000095094643 346899273 /nfs/dbraw/zinc/89/92/73/346899273.db2.gz AIJVJWIDUMMBPK-UHFFFAOYSA-N 1 1 232.243 1.026 40 0 BDABMO COC(=O)[C@H](C(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000022123332 343040398 /nfs/dbraw/zinc/04/03/98/343040398.db2.gz RJCDTPYRVVDLGC-MNOVXSKESA-N 1 1 213.321 1.916 40 0 BDABMO C[NH2+][C@@H](CN)c1ccccc1C(F)(F)F ZINC000050269792 259369891 /nfs/dbraw/zinc/36/98/91/259369891.db2.gz VFTJEGSENIZJAG-VIFPVBQESA-N 1 1 218.222 1.925 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000096526045 343759766 /nfs/dbraw/zinc/75/97/66/343759766.db2.gz YZXKRKDHOQOFIU-VHSXEESVSA-N 1 1 224.691 1.571 40 0 BDABMO CC[N@H+]1CCC[C@@H]1c1c[nH]c(=O)c(C)c1 ZINC000072217949 344513536 /nfs/dbraw/zinc/51/35/36/344513536.db2.gz QSBCNQZOGXYWCX-LLVKDONJSA-N 1 1 206.289 1.840 40 0 BDABMO Cc1ccc(C[NH2+][C@@H]2C=CS(=O)(=O)C2)cc1 ZINC000082343768 344799796 /nfs/dbraw/zinc/79/97/96/344799796.db2.gz KNFUDSASHKSZAO-GFCCVEGCSA-N 1 1 237.324 1.395 40 0 BDABMO O=C1C=CC[C@@H]2[C@@H]3CCC[N@H+]4CCC[C@H](CN12)[C@@H]34 ZINC000033833761 344958477 /nfs/dbraw/zinc/95/84/77/344958477.db2.gz AAGFPTSOPGCENQ-COMQUAJESA-N 1 1 246.354 1.648 40 0 BDABMO Cc1ccc(NC(=O)CC[NH+]2CCOCC2)cc1 ZINC000019204047 347515855 /nfs/dbraw/zinc/51/58/55/347515855.db2.gz RDLBYXHLXFGFGU-UHFFFAOYSA-N 1 1 248.326 1.656 40 0 BDABMO Cc1ccccc1CNC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000082305387 179279830 /nfs/dbraw/zinc/27/98/30/179279830.db2.gz CGPZDSFUJBHKIA-CQSZACIVSA-N 1 1 246.354 1.953 40 0 BDABMO C([C@@H]1CCCO1)[N@@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218828133 187389690 /nfs/dbraw/zinc/38/96/90/187389690.db2.gz JXGJYHMXVRWTCW-YNEHKIRRSA-N 1 1 224.348 1.382 40 0 BDABMO C([C@@H]1CCCO1)[N@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218828133 187389692 /nfs/dbraw/zinc/38/96/92/187389692.db2.gz JXGJYHMXVRWTCW-YNEHKIRRSA-N 1 1 224.348 1.382 40 0 BDABMO COc1ccc([C@H]2CC(=O)CC[NH2+]2)cc1 ZINC000041213427 187393279 /nfs/dbraw/zinc/39/32/79/187393279.db2.gz KAHPTOIPDYIODH-GFCCVEGCSA-N 1 1 205.257 1.689 40 0 BDABMO O=C1CCC(=O)N1[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005456208 350087193 /nfs/dbraw/zinc/08/71/93/350087193.db2.gz UJZWYHABZLDLFD-GHMZBOCLSA-N 1 1 236.315 1.152 40 0 BDABMO COC(=O)[C@]1([NH3+])CC[C@H]1c1ccccc1 ZINC000225949691 350136975 /nfs/dbraw/zinc/13/69/75/350136975.db2.gz QJFVJAHFPNSTBC-JQWIXIFHSA-N 1 1 205.257 1.435 40 0 BDABMO COC(=O)[C@@]1([NH3+])CC[C@H]1c1ccccc1 ZINC000225949706 350136990 /nfs/dbraw/zinc/13/69/90/350136990.db2.gz QJFVJAHFPNSTBC-CMPLNLGQSA-N 1 1 205.257 1.435 40 0 BDABMO Cc1nccc([C@@]2(C)CCC[N@H+](C)C2)n1 ZINC000072381264 180209016 /nfs/dbraw/zinc/20/90/16/180209016.db2.gz CDKGVDYQBFPASO-LBPRGKRZSA-N 1 1 205.305 1.768 40 0 BDABMO Cc1nccc(CN2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1 ZINC000072397558 180185642 /nfs/dbraw/zinc/18/56/42/180185642.db2.gz JHQBJEAFCMCDCR-RISCZKNCSA-N 1 1 246.358 1.454 40 0 BDABMO Cc1ccc2c(c1)CN[C@@H](C[NH+](C)C)CO2 ZINC000019219564 188106795 /nfs/dbraw/zinc/10/67/95/188106795.db2.gz HRFOGLRNCLGEPG-LBPRGKRZSA-N 1 1 220.316 1.407 40 0 BDABMO CNC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000038832111 188117625 /nfs/dbraw/zinc/11/76/25/188117625.db2.gz GIZWRJQVOYZXFB-UHFFFAOYSA-N 1 1 229.283 1.599 40 0 BDABMO CC(C)[N@H+]1CCC[C@@H](c2cccc(C(N)=O)n2)C1 ZINC000072356940 188131795 /nfs/dbraw/zinc/13/17/95/188131795.db2.gz KKHVEJRECIKNHZ-LLVKDONJSA-N 1 1 247.342 1.768 40 0 BDABMO CCCC[C@@H]1C[C@H](O)C[N@H+]1CCOC ZINC000217881772 188179268 /nfs/dbraw/zinc/17/92/68/188179268.db2.gz BXTVTPFYUDYCPX-MNOVXSKESA-N 1 1 201.310 1.258 40 0 BDABMO Fc1cccc(O[C@@H]2C[C@H]3CNCC[N@@H+]3C2)c1 ZINC000107915981 181003176 /nfs/dbraw/zinc/00/31/76/181003176.db2.gz NOXHOBVVJWJJLT-WCQYABFASA-N 1 1 236.290 1.251 40 0 BDABMO Fc1cccc(O[C@@H]2C[C@H]3CNCC[N@H+]3C2)c1 ZINC000107915981 181003178 /nfs/dbraw/zinc/00/31/78/181003178.db2.gz NOXHOBVVJWJJLT-WCQYABFASA-N 1 1 236.290 1.251 40 0 BDABMO Fc1cccc(O[C@H]2C[C@H]3CNCC[N@@H+]3C2)c1 ZINC000107915985 181003191 /nfs/dbraw/zinc/00/31/91/181003191.db2.gz NOXHOBVVJWJJLT-AAEUAGOBSA-N 1 1 236.290 1.251 40 0 BDABMO Fc1cccc(O[C@H]2C[C@H]3CNCC[N@H+]3C2)c1 ZINC000107915985 181003192 /nfs/dbraw/zinc/00/31/92/181003192.db2.gz NOXHOBVVJWJJLT-AAEUAGOBSA-N 1 1 236.290 1.251 40 0 BDABMO COC(=O)[C@@]1([NH3+])CC[C@H]1Cc1ccccc1 ZINC000242547814 372206432 /nfs/dbraw/zinc/20/64/32/372206432.db2.gz KTQNJNMKRQWVME-WCQYABFASA-N 1 1 219.284 1.510 40 0 BDABMO O=C(Nc1cccc(Cl)c1)[C@@H]1CSC[NH2+]1 ZINC000019442440 182368181 /nfs/dbraw/zinc/36/81/81/182368181.db2.gz DLJURMRCIDFVED-VIFPVBQESA-N 1 1 242.731 1.941 40 0 BDABMO OCC[N@@H+](Cc1ccc(Cl)nc1)C1CC1 ZINC000042479088 183068753 /nfs/dbraw/zinc/06/87/53/183068753.db2.gz DSLAQWWGELYWSH-UHFFFAOYSA-N 1 1 226.707 1.692 40 0 BDABMO O[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000038538786 183239677 /nfs/dbraw/zinc/23/96/77/183239677.db2.gz FMUXRHBZEJIHCR-VIFPVBQESA-N 1 1 213.227 1.531 40 0 BDABMO O[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000038538786 183239678 /nfs/dbraw/zinc/23/96/78/183239678.db2.gz FMUXRHBZEJIHCR-VIFPVBQESA-N 1 1 213.227 1.531 40 0 BDABMO c1c(CN2CCC[NH2+]CC2)n[nH]c1C1CC1 ZINC000096523659 183321290 /nfs/dbraw/zinc/32/12/90/183321290.db2.gz PHNBRDNDSBYBQQ-UHFFFAOYSA-N 1 1 220.320 1.082 40 0 BDABMO c1c[nH]c(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)n1 ZINC000072382067 183325954 /nfs/dbraw/zinc/32/59/54/183325954.db2.gz WCZSUPZKZRAUBW-VIFPVBQESA-N 1 1 217.276 1.122 40 0 BDABMO c1c[nH]c(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)n1 ZINC000072382067 183325956 /nfs/dbraw/zinc/32/59/56/183325956.db2.gz WCZSUPZKZRAUBW-VIFPVBQESA-N 1 1 217.276 1.122 40 0 BDABMO c1cc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)n[nH]1 ZINC000072381922 183359762 /nfs/dbraw/zinc/35/97/62/183359762.db2.gz WYZYXDBMWZCZAM-LLVKDONJSA-N 1 1 235.331 1.768 40 0 BDABMO c1cc([C@@H]2CCC[N@H+](C3CCOCC3)C2)[nH]n1 ZINC000072381922 183359766 /nfs/dbraw/zinc/35/97/66/183359766.db2.gz WYZYXDBMWZCZAM-LLVKDONJSA-N 1 1 235.331 1.768 40 0 BDABMO c1cc([C@@H]2CCC[N@@H+](C3CCOCC3)C2)[nH]n1 ZINC000072381922 183359769 /nfs/dbraw/zinc/35/97/69/183359769.db2.gz WYZYXDBMWZCZAM-LLVKDONJSA-N 1 1 235.331 1.768 40 0 BDABMO CCCn1nc(C)cc1C[NH2+]Cc1ccnn1C ZINC000256053786 169625423 /nfs/dbraw/zinc/62/54/23/169625423.db2.gz SVZJQOQLSZLOIT-UHFFFAOYSA-N 1 1 247.346 1.625 40 0 BDABMO CC[N@@H+](CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393504 384132380 /nfs/dbraw/zinc/13/23/80/384132380.db2.gz NREMRULTNGFOCR-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CCN(CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393504 384132383 /nfs/dbraw/zinc/13/23/83/384132383.db2.gz NREMRULTNGFOCR-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CCN(CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393504 384132387 /nfs/dbraw/zinc/13/23/87/384132387.db2.gz NREMRULTNGFOCR-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO Cc1ccc2c(c1)n(C)c1c2nc[nH+]c1NN ZINC000408712499 384180293 /nfs/dbraw/zinc/18/02/93/384180293.db2.gz WRMONVDJZOCURN-UHFFFAOYSA-N 1 1 227.271 1.716 40 0 BDABMO Nc1cc(-c2cn[nH]c2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000072357467 384215144 /nfs/dbraw/zinc/21/51/44/384215144.db2.gz TUKIJXZFYKWPCV-NSHDSACASA-N 1 1 243.314 1.869 40 0 BDABMO Cc1c[nH]nc1[C@H]1CC[N@H+](C2CCOCC2)C1 ZINC000072381935 384216137 /nfs/dbraw/zinc/21/61/37/384216137.db2.gz IOFDCWMWQATEOA-NSHDSACASA-N 1 1 235.331 1.686 40 0 BDABMO Cc1cc(C)nc([C@H]2CCCC[N@@H+]2CCO)n1 ZINC000072381363 384216211 /nfs/dbraw/zinc/21/62/11/384216211.db2.gz QQAGNLNZDWYXEK-GFCCVEGCSA-N 1 1 235.331 1.613 40 0 BDABMO Cc1cc(C)nc([C@H]2CCCC[N@H+]2CCO)n1 ZINC000072381363 384216214 /nfs/dbraw/zinc/21/62/14/384216214.db2.gz QQAGNLNZDWYXEK-GFCCVEGCSA-N 1 1 235.331 1.613 40 0 BDABMO C[C@@H]([NH3+])c1nc(-c2ccc(F)cc2)n[nH]1 ZINC000061843931 384382890 /nfs/dbraw/zinc/38/28/90/384382890.db2.gz GLNJNMUGKZGLQA-ZCFIWIBFSA-N 1 1 206.224 1.631 40 0 BDABMO CC[N@H+]1CCCC12CCN(c1cnccn1)CC2 ZINC000096075208 384432459 /nfs/dbraw/zinc/43/24/59/384432459.db2.gz ANOZGAFTCVSGEI-UHFFFAOYSA-N 1 1 246.358 1.931 40 0 BDABMO COC[C@@H]1Cn2ccnc2C[N@@H+](CC2CC2)C1 ZINC000096059103 384432522 /nfs/dbraw/zinc/43/25/22/384432522.db2.gz HPWHLITYYQDICC-LBPRGKRZSA-N 1 1 235.331 1.371 40 0 BDABMO C[C@H]1c2ncc(COCC3CC3)n2CC[N@@H+]1C ZINC000096109757 384433965 /nfs/dbraw/zinc/43/39/65/384433965.db2.gz ZGMUUIOYDUNMDN-JTQLQIEISA-N 1 1 235.331 1.816 40 0 BDABMO O=C1CC[C@H]2[C@H](CC[N@H+]2Cc2ccccc2)N1 ZINC000096186176 384440568 /nfs/dbraw/zinc/44/05/68/384440568.db2.gz GRBCQNKWILOOTC-STQMWFEESA-N 1 1 230.311 1.540 40 0 BDABMO CCCCCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000096629257 384466666 /nfs/dbraw/zinc/46/66/66/384466666.db2.gz KXAYEDOMGKAMED-NSHDSACASA-N 1 1 212.337 1.635 40 0 BDABMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccccc1 ZINC000100402834 384573537 /nfs/dbraw/zinc/57/35/37/384573537.db2.gz IZTSYUBBKNSBJC-OLZOCXBDSA-N 1 1 230.311 1.540 40 0 BDABMO COc1c(C)cccc1CNCCC[NH3+] ZINC000095094946 384962845 /nfs/dbraw/zinc/96/28/45/384962845.db2.gz LWBMJUNLRCXQIK-UHFFFAOYSA-N 1 1 208.305 1.442 40 0 BDABMO c1cc([C@@H]2CC[N@H+](Cc3cccnc3)C2)n[nH]1 ZINC000072187655 385043723 /nfs/dbraw/zinc/04/37/23/385043723.db2.gz KWZYSLMHJALBIR-GFCCVEGCSA-N 1 1 228.299 1.794 40 0 BDABMO Cc1cc(N2CCN(C)CC2)ncc1[C@H](C)[NH3+] ZINC000072223608 385116103 /nfs/dbraw/zinc/11/61/03/385116103.db2.gz BDVJQTINQLSCCO-NSHDSACASA-N 1 1 234.347 1.162 40 0 BDABMO O=C1C[NH2+]CCN1CCCc1ccccc1 ZINC000051666513 385255338 /nfs/dbraw/zinc/25/53/38/385255338.db2.gz UDRXVPCLITXTMG-UHFFFAOYSA-N 1 1 218.300 1.051 40 0 BDABMO CC(C)[C@@H]([NH3+])CCN(C)CCc1ccccn1 ZINC000096523793 385267289 /nfs/dbraw/zinc/26/72/89/385267289.db2.gz DPDULRMMHWXONP-AWEZNQCLSA-N 1 1 235.375 1.929 40 0 BDABMO Cc1nc(NCC[NH3+])cc(N2CCCCC2)n1 ZINC000217511874 385325888 /nfs/dbraw/zinc/32/58/88/385325888.db2.gz CVUXSCJHAJSVLR-UHFFFAOYSA-N 1 1 235.335 1.146 40 0 BDABMO CN(C)C(=O)[C@H]1CCCCN1c1[nH+]cccc1N ZINC000095097835 385451583 /nfs/dbraw/zinc/45/15/83/385451583.db2.gz IJWPMRZYQAMKAZ-LLVKDONJSA-N 1 1 248.330 1.111 40 0 BDABMO COc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC000038538913 385668154 /nfs/dbraw/zinc/66/81/54/385668154.db2.gz BTRUBANQYGVSJZ-SNVBAGLBSA-N 1 1 241.718 1.915 40 0 BDABMO Nc1cccc(CC2CCC(=O)CC2)[nH+]1 ZINC000257198346 385752717 /nfs/dbraw/zinc/75/27/17/385752717.db2.gz ZRJCYKLLGOQQDE-UHFFFAOYSA-N 1 1 204.273 1.966 40 0 BDABMO NC[C@H]([NH3+])c1ccccc1Br ZINC000034155393 386071650 /nfs/dbraw/zinc/07/16/50/386071650.db2.gz PAMGDOWWTHYUTI-QMMMGPOBSA-N 1 1 215.094 1.408 40 0 BDABMO CC[NH+](CC)[C@@H](CN)c1ccc2c(c1)CCO2 ZINC000037363622 386229879 /nfs/dbraw/zinc/22/98/79/386229879.db2.gz DPIMLYSVINCYCY-ZDUSSCGKSA-N 1 1 234.343 1.963 40 0 BDABMO CCN(CC)CC[NH2+]Cc1cn(C)nc1C ZINC000125923395 387852995 /nfs/dbraw/zinc/85/29/95/387852995.db2.gz FDXPNVDSKVGOJB-UHFFFAOYSA-N 1 1 224.352 1.160 40 0 BDABMO Cc1c(F)cccc1C[N@H+]1CC[C@@H](O)C1 ZINC000038538758 388371196 /nfs/dbraw/zinc/37/11/96/388371196.db2.gz MFZXNHCASYGCSS-LLVKDONJSA-N 1 1 209.264 1.701 40 0 BDABMO COc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000038538904 388371334 /nfs/dbraw/zinc/37/13/34/388371334.db2.gz FQIZILXRTMZPTH-GFCCVEGCSA-N 1 1 221.300 1.570 40 0 BDABMO COC(=O)[C@@]1([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000217737731 388380380 /nfs/dbraw/zinc/38/03/80/388380380.db2.gz HAQPZYKBEKIHME-MWLCHTKSSA-N 1 1 209.220 1.184 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccc(OC)cc1 ZINC000242723259 388400582 /nfs/dbraw/zinc/40/05/82/388400582.db2.gz YJRBAAJTLOQLSQ-QWHCGFSZSA-N 1 1 249.310 1.513 40 0 BDABMO C[C@@H]1CN(C(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000074755265 388652379 /nfs/dbraw/zinc/65/23/79/388652379.db2.gz SPINZGLIWMLHIE-GFCCVEGCSA-N 1 1 248.326 1.959 40 0 BDABMO C[C@@H]1CN(C(=O)OCc2ccccc2)CC[N@H+]1C ZINC000074755265 388652382 /nfs/dbraw/zinc/65/23/82/388652382.db2.gz SPINZGLIWMLHIE-GFCCVEGCSA-N 1 1 248.326 1.959 40 0 BDABMO COc1ccc([C@H]([NH3+])c2nnc(C3CC3)[nH]2)cc1 ZINC000095533732 388776464 /nfs/dbraw/zinc/77/64/64/388776464.db2.gz JOOJMUCGKFJAGZ-NSHDSACASA-N 1 1 244.298 1.739 40 0 BDABMO CCC(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000046959894 168229129 /nfs/dbraw/zinc/22/91/29/168229129.db2.gz DOJBJNNNMVSMSP-LLVKDONJSA-N 1 1 212.337 1.635 40 0 BDABMO C[C@@H]1C[C@H](C)C[N@H+](c2ccc(N)cc2C(N)=O)C1 ZINC000041081954 132223770 /nfs/dbraw/zinc/22/37/70/132223770.db2.gz RCVZSTNIJNZFQK-AOOOYVTPSA-N 1 1 247.342 1.850 40 0 BDABMO C[C@@H]1C[C@H](C)C[N@@H+](c2ccc(N)cc2C(N)=O)C1 ZINC000041081954 132223772 /nfs/dbraw/zinc/22/37/72/132223772.db2.gz RCVZSTNIJNZFQK-AOOOYVTPSA-N 1 1 247.342 1.850 40 0 BDABMO C[C@@H]1C[C@@H](C)C[NH+](c2ccc(N)cc2C(N)=O)C1 ZINC000041081958 132224034 /nfs/dbraw/zinc/22/40/34/132224034.db2.gz RCVZSTNIJNZFQK-NXEZZACHSA-N 1 1 247.342 1.850 40 0 BDABMO Cn1c[nH+]cc1C1CCN(c2ncccn2)CC1 ZINC000072357228 132396659 /nfs/dbraw/zinc/39/66/59/132396659.db2.gz QFTGIZBDGBMPGG-UHFFFAOYSA-N 1 1 243.314 1.594 40 0 BDABMO C[C@](CO)(c1cccs1)[NH+]1CCOCC1 ZINC000070453240 322905125 /nfs/dbraw/zinc/90/51/25/322905125.db2.gz GMRASXWVQLTHCT-NSHDSACASA-N 1 1 227.329 1.288 40 0 BDABMO NC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424921 411165503 /nfs/dbraw/zinc/16/55/03/411165503.db2.gz JLMCDYSDCCEFAP-MRVPVSSYSA-N 1 1 205.088 1.952 40 0 BDABMO CC[N@H+]1CC[C@H](CNc2ccnc(Cl)n2)C1 ZINC000038579682 170017433 /nfs/dbraw/zinc/01/74/33/170017433.db2.gz ZTEHEZPIXNFRBQ-SECBINFHSA-N 1 1 240.738 1.884 40 0 BDABMO CCOC(=O)CC[NH2+]CC(C)(C)CN(C)C ZINC000036667548 170209679 /nfs/dbraw/zinc/20/96/79/170209679.db2.gz PLRDJDPNRPVMMU-UHFFFAOYSA-N 1 1 230.352 1.117 40 0 BDABMO CCOC(=O)[C@@H]([NH3+])CS[C@H]1CCCCO1 ZINC000019805066 170253661 /nfs/dbraw/zinc/25/36/61/170253661.db2.gz QGZKVZJVXAQCSO-IUCAKERBSA-N 1 1 233.333 1.137 40 0 BDABMO CCOC(=O)[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC000061892901 170254279 /nfs/dbraw/zinc/25/42/79/170254279.db2.gz GRDSNVUGGUKPKE-NSHDSACASA-N 1 1 223.272 1.128 40 0 BDABMO CCOCCC[N@@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218830397 170373730 /nfs/dbraw/zinc/37/37/30/170373730.db2.gz KZKNJYKAMVANNE-CHWSQXEVSA-N 1 1 226.364 1.629 40 0 BDABMO CCOCCC[N@H+]1CCN[C@@H]2CCCC[C@H]21 ZINC000218830397 170373732 /nfs/dbraw/zinc/37/37/32/170373732.db2.gz KZKNJYKAMVANNE-CHWSQXEVSA-N 1 1 226.364 1.629 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1nccnc1-n1ccnc1 ZINC000072382195 173035987 /nfs/dbraw/zinc/03/59/87/173035987.db2.gz JAOVEODSSMCAFP-SNVBAGLBSA-N 1 1 229.287 1.429 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)NCCc2ccccc2)C1 ZINC000078578388 173039519 /nfs/dbraw/zinc/03/95/19/173039519.db2.gz XWGAEGPDSXDLOY-AWEZNQCLSA-N 1 1 246.354 1.687 40 0 BDABMO CN(C)c1ccc([C@H]2CCC[N@@H+](C)C2)nc1 ZINC000072381234 173048949 /nfs/dbraw/zinc/04/89/49/173048949.db2.gz HAMYRKUTYKMWNY-NSHDSACASA-N 1 1 219.332 1.957 40 0 BDABMO C[N@H+]1CCC[C@H]1c1cnc(-c2cc[nH]n2)cn1 ZINC000257339685 173058348 /nfs/dbraw/zinc/05/83/48/173058348.db2.gz ZCTMWUYKCAQGHP-LBPRGKRZSA-N 1 1 229.287 1.633 40 0 BDABMO C[N@H+]1CC[C@H](Cc2cnc(-c3cc[nH]n3)cn2)C1 ZINC000257270599 173147857 /nfs/dbraw/zinc/14/78/57/173147857.db2.gz MUWLPKMTSYMXIH-SNVBAGLBSA-N 1 1 243.314 1.361 40 0 BDABMO C[N@H+]1Cc2cccc([Si](C)(C)C)c2[C@@H](O)C1 ZINC000196807550 173202479 /nfs/dbraw/zinc/20/24/79/173202479.db2.gz BVZKLEZLODRMPC-NSHDSACASA-N 1 1 235.403 1.711 40 0 BDABMO C[N@@H+]1Cc2cccc([Si](C)(C)C)c2[C@@H](O)C1 ZINC000196807550 173202481 /nfs/dbraw/zinc/20/24/81/173202481.db2.gz BVZKLEZLODRMPC-NSHDSACASA-N 1 1 235.403 1.711 40 0 BDABMO COCCCn1c[nH+]c2cc(C)c(N)cc21 ZINC000223769371 174267371 /nfs/dbraw/zinc/26/73/71/174267371.db2.gz SOVQGXIQSDVKGW-UHFFFAOYSA-N 1 1 219.288 1.963 40 0 BDABMO COCCO[C@@H]1CC[N@@H+](C)[C@H]1Cc1ccccc1 ZINC000096069815 174365596 /nfs/dbraw/zinc/36/55/96/174365596.db2.gz JXQNFNICVVAFAC-LSDHHAIUSA-N 1 1 249.354 1.965 40 0 BDABMO COc1cc2c(c(C)c1OC)C[N@H+](C)C[C@H]2O ZINC000261829884 175019967 /nfs/dbraw/zinc/01/99/67/175019967.db2.gz XDHXVBUZZCYQRX-LLVKDONJSA-N 1 1 237.299 1.491 40 0 BDABMO COc1cc2c(c(C)c1OC)C[N@@H+](C)C[C@H]2O ZINC000261829884 175019968 /nfs/dbraw/zinc/01/99/68/175019968.db2.gz XDHXVBUZZCYQRX-LLVKDONJSA-N 1 1 237.299 1.491 40 0 BDABMO COc1cc2c(cc1O)[C@@H](C)[N@@H+](C)CC2 ZINC000002005325 175023162 /nfs/dbraw/zinc/02/31/62/175023162.db2.gz QFSVLNAGJRAZFV-MRVPVSSYSA-N 1 1 207.273 1.950 40 0 biogenic,in-vitro BDABMO COc1cc2c(cc1O)[C@H](C)[N@@H+](C)CC2 ZINC000002005324 175023177 /nfs/dbraw/zinc/02/31/77/175023177.db2.gz QFSVLNAGJRAZFV-QMMMGPOBSA-N 1 1 207.273 1.950 40 0 biogenic,in-vitro BDABMO COc1ccc(CNCCC[NH3+])cc1OC ZINC000037713073 175106941 /nfs/dbraw/zinc/10/69/41/175106941.db2.gz IMELWWPRAOFGNB-UHFFFAOYSA-N 1 1 224.304 1.142 40 0 BDABMO COc1cccc(C[N@@H+](CCO)C(C)C)c1 ZINC000049825646 175256397 /nfs/dbraw/zinc/25/63/97/175256397.db2.gz DKVLIKLUCJTSKB-UHFFFAOYSA-N 1 1 223.316 1.898 40 0 BDABMO COc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000038538846 175260223 /nfs/dbraw/zinc/26/02/23/175260223.db2.gz LPYMTQJBJKJOAF-NSHDSACASA-N 1 1 207.273 1.262 40 0 BDABMO C[C@@H]1CCC[N@@H+](Cc2cc(N)n(C)n2)C1 ZINC000058083898 176100240 /nfs/dbraw/zinc/10/02/40/176100240.db2.gz RKXCOCNENJPZRQ-SECBINFHSA-N 1 1 208.309 1.234 40 0 BDABMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](CO)C1 ZINC000072203954 177043683 /nfs/dbraw/zinc/04/36/83/177043683.db2.gz CCCKFMGXAZWYAU-NEPJUHHUSA-N 1 1 220.316 1.847 40 0 BDABMO C[C@H](c1ccccn1)[N@H+]1CCC[C@H](O)C1 ZINC000072203945 177043712 /nfs/dbraw/zinc/04/37/12/177043712.db2.gz IKDJNGOSFJDSOY-MNOVXSKESA-N 1 1 206.289 1.599 40 0 BDABMO C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000169951767 177093962 /nfs/dbraw/zinc/09/39/62/177093962.db2.gz FIUSVJRWHMQPEW-NWDGAFQWSA-N 1 1 224.348 1.587 40 0 BDABMO Cc1cccc([C@@H](CO)[NH+]2CCOCC2)c1 ZINC000070453137 488191453 /nfs/dbraw/zinc/19/14/53/488191453.db2.gz LEVGMWHTRLXXSP-CYBMUJFWSA-N 1 1 221.300 1.361 40 0 BDABMO CC(=O)N1CCC2(CN(c3cccc(C)[nH+]3)C2)C1 ZINC000096070873 490360165 /nfs/dbraw/zinc/36/01/65/490360165.db2.gz RMJKVKXAOFLARK-UHFFFAOYSA-N 1 1 245.326 1.449 40 0 BDABMO COCCN(C)c1cccc([C@H]2CCC[N@H+]2C)n1 ZINC000072386846 523636063 /nfs/dbraw/zinc/63/60/63/523636063.db2.gz IYSOYMWKCZAVGX-CYBMUJFWSA-N 1 1 249.358 1.931 40 0 BDABMO c1csc(-c2cnc3n2CC[NH2+]C3)c1 ZINC000083985934 526572712 /nfs/dbraw/zinc/57/27/12/526572712.db2.gz UEKRZRIYZTZVGT-UHFFFAOYSA-N 1 1 205.286 1.715 40 0 BDABMO COc1ccc2c(c1C)C[N@H+](C)C[C@@H]2O ZINC000261828411 537021450 /nfs/dbraw/zinc/02/14/50/537021450.db2.gz NMWZMHMUHNQISD-NSHDSACASA-N 1 1 207.273 1.482 40 0 BDABMO CC[N@H+]1CCC[C@@H](Cc2ccc(NC)nn2)C1 ZINC000072387238 343980119 /nfs/dbraw/zinc/98/01/19/343980119.db2.gz XGLLTUGSNXOWEJ-NSHDSACASA-N 1 1 234.347 1.793 40 0 BDABMO Cc1cc(C[N@H+]2CC[C@@H](O)C2)ccc1F ZINC000038538896 178000420 /nfs/dbraw/zinc/00/04/20/178000420.db2.gz RZHLITVBKAITBF-LLVKDONJSA-N 1 1 209.264 1.701 40 0 BDABMO Cc1c[nH]c([C@H]2CCN(c3cc(C)ncn3)C2)[nH+]1 ZINC000257306533 178119431 /nfs/dbraw/zinc/11/94/31/178119431.db2.gz SUQIRJFJGCJAGN-NSHDSACASA-N 1 1 243.314 1.810 40 0 BDABMO Cc1cc(Nc2ccc(CCO)cc2)nc(N)[nH+]1 ZINC000001679315 178191903 /nfs/dbraw/zinc/19/19/03/178191903.db2.gz XQUMBEDPEOLVDH-UHFFFAOYSA-N 1 1 244.298 1.646 40 0 BDABMO Cc1cc(Nc2ccc(C(N)=O)cc2)nc(N)[nH+]1 ZINC000139662556 178192550 /nfs/dbraw/zinc/19/25/50/178192550.db2.gz ABZSPJQUBNEKNN-UHFFFAOYSA-N 1 1 243.270 1.210 40 0 BDABMO Cc1ccc(-c2noc(C[NH3+])n2)c(C)c1 ZINC000073640863 178343988 /nfs/dbraw/zinc/34/39/88/178343988.db2.gz SNDUHFTWWLYDGK-UHFFFAOYSA-N 1 1 203.245 1.812 40 0 BDABMO Cc1ccc(C[N@@H+](CCO)C2CC2)cc1 ZINC000048065353 342671215 /nfs/dbraw/zinc/67/12/15/342671215.db2.gz LUAIFRWTFZOIQM-UHFFFAOYSA-N 1 1 205.301 1.952 40 0 BDABMO CCO[C@@H]1CC[C@H]2[C@H]1OCC[N@H+]2CC1CC1 ZINC000096057811 398312381 /nfs/dbraw/zinc/31/23/81/398312381.db2.gz IUXWEIBNXRBVHO-YNEHKIRRSA-N 1 1 225.332 1.665 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccc(OC)cc1 ZINC000217670354 398322580 /nfs/dbraw/zinc/32/25/80/398322580.db2.gz YJRBAAJTLOQLSQ-OLZOCXBDSA-N 1 1 249.310 1.513 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1cccc(OC)c1 ZINC000217670136 398322798 /nfs/dbraw/zinc/32/27/98/398322798.db2.gz LNISMTZZVFQDHO-OLZOCXBDSA-N 1 1 249.310 1.513 40 0 BDABMO CC[NH+]1CCN(C(=O)c2ccc(N)c(C)c2)CC1 ZINC000020220628 342977605 /nfs/dbraw/zinc/97/76/05/342977605.db2.gz IHQALGKGKVVKIB-UHFFFAOYSA-N 1 1 247.342 1.355 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(C)cc1 ZINC000096525973 343760091 /nfs/dbraw/zinc/76/00/91/343760091.db2.gz DDMKFWWJCORITA-QWRGUYRKSA-N 1 1 204.273 1.226 40 0 BDABMO COC[C@H]1CCCCN1c1[nH+]cccc1N ZINC000395973508 343810789 /nfs/dbraw/zinc/81/07/89/343810789.db2.gz AMTRAAVXEKMVJG-SNVBAGLBSA-N 1 1 221.304 1.669 40 0 BDABMO C[N@H+]1C[C@H]2CCN(C(=O)c3ccsc3)[C@@H]2C1 ZINC000585107625 344135121 /nfs/dbraw/zinc/13/51/21/344135121.db2.gz ALQLHJFBHMVPPA-MWLCHTKSSA-N 1 1 236.340 1.524 40 0 BDABMO CC(C)(C)c1nnc([C@@H]([NH3+])Cc2c[nH]cn2)o1 ZINC000072210628 344512491 /nfs/dbraw/zinc/51/24/91/344512491.db2.gz HGLHYPPFDFODOX-QMMMGPOBSA-N 1 1 235.291 1.333 40 0 BDABMO C[N@H+]1CC[C@H](c2ccccc2F)[C@@H](CO)C1 ZINC000022116080 347100703 /nfs/dbraw/zinc/10/07/03/347100703.db2.gz MTPBJZJBULTHST-MNOVXSKESA-N 1 1 223.291 1.853 40 0 BDABMO Cc1ncnc2c1CC[N@@H+](Cc1ccco1)CC2 ZINC000096058587 180291164 /nfs/dbraw/zinc/29/11/64/180291164.db2.gz DWXMPJFFFPCJAF-UHFFFAOYSA-N 1 1 243.310 1.979 40 0 BDABMO Cc1ncnc2c1CC[N@@H+](Cc1ccoc1)CC2 ZINC000096058588 180291213 /nfs/dbraw/zinc/29/12/13/180291213.db2.gz KANQKWROIAVWJV-UHFFFAOYSA-N 1 1 243.310 1.979 40 0 BDABMO COc1ccc(CN(C)C2CC[NH2+]CC2)cc1 ZINC000036300916 188112801 /nfs/dbraw/zinc/11/28/01/188112801.db2.gz GZVXEQCMAUJNNM-UHFFFAOYSA-N 1 1 234.343 1.879 40 0 BDABMO CC(C)[N@@H+](C)C1CCC([NH2+]CC(=O)[O-])CC1 ZINC000079419756 188118286 /nfs/dbraw/zinc/11/82/86/188118286.db2.gz ACCKOIBVQPZXOE-UHFFFAOYSA-N 1 1 228.336 1.312 40 0 BDABMO CC(C)[N@@H+](CCO)[C@H]1CCCC[C@@H]1N(C)C ZINC000079406078 188136821 /nfs/dbraw/zinc/13/68/21/188136821.db2.gz FUGWAFHEEDYZQR-STQMWFEESA-N 1 1 228.380 1.562 40 0 BDABMO CC(C)N(CCO)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406078 188136823 /nfs/dbraw/zinc/13/68/23/188136823.db2.gz FUGWAFHEEDYZQR-STQMWFEESA-N 1 1 228.380 1.562 40 0 BDABMO CC(C)Cn1cc(C[NH2+]Cc2ccnn2C)cn1 ZINC000256050835 188193235 /nfs/dbraw/zinc/19/32/35/188193235.db2.gz GQYALMNIRSETOK-UHFFFAOYSA-N 1 1 247.346 1.562 40 0 BDABMO CCOC(=O)[C@@H]1C[C@@]2(C)C(=O)CCCC[C@H]2[NH2+]1 ZINC000212415297 188178281 /nfs/dbraw/zinc/17/82/81/188178281.db2.gz UDRXRHCGKHMGLZ-OPQQBVKSSA-N 1 1 239.315 1.429 40 0 BDABMO [NH3+]C1CCN(C(=O)c2[nH]nc3ccccc32)CC1 ZINC000036753356 181343539 /nfs/dbraw/zinc/34/35/39/181343539.db2.gz KIMITIKFZAQFCH-UHFFFAOYSA-N 1 1 244.298 1.126 40 0 BDABMO O=C1NCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000114863726 368342998 /nfs/dbraw/zinc/34/29/98/368342998.db2.gz KLBIDDAWGHRPBL-QWHCGFSZSA-N 1 1 230.311 1.255 40 0 BDABMO CC[N@H+]1CCC[C@H]1c1cccc(C(=O)NC)n1 ZINC000205675449 368356590 /nfs/dbraw/zinc/35/65/90/368356590.db2.gz DODYLWFIYADOOC-LBPRGKRZSA-N 1 1 233.315 1.598 40 0 BDABMO C[N@H+]1CCC[C@H]1c1cnc(-c2ncc[nH]2)cn1 ZINC000205693965 369998367 /nfs/dbraw/zinc/99/83/67/369998367.db2.gz MFHYLOVUSJCDLB-NSHDSACASA-N 1 1 229.287 1.633 40 0 BDABMO [NH3+][C@H]1C(=O)N(C2CC2)[C@H]1c1ccc(F)cc1 ZINC000256052231 370635590 /nfs/dbraw/zinc/63/55/90/370635590.db2.gz MMESDOYNVGBLPW-MNOVXSKESA-N 1 1 220.247 1.199 40 0 BDABMO OCc1cc([C@@H]2CCC[N@@H+](CC3CC3)C2)n[nH]1 ZINC000072350800 183161592 /nfs/dbraw/zinc/16/15/92/183161592.db2.gz REGZDTOKEOAOJK-LLVKDONJSA-N 1 1 235.331 1.491 40 0 BDABMO OCc1cc([C@@H]2CCC[N@H+](CC3CC3)C2)[nH]n1 ZINC000072350800 183161595 /nfs/dbraw/zinc/16/15/95/183161595.db2.gz REGZDTOKEOAOJK-LLVKDONJSA-N 1 1 235.331 1.491 40 0 BDABMO OCc1cc([C@@H]2CCC[N@@H+](CC3CC3)C2)[nH]n1 ZINC000072350800 183161597 /nfs/dbraw/zinc/16/15/97/183161597.db2.gz REGZDTOKEOAOJK-LLVKDONJSA-N 1 1 235.331 1.491 40 0 BDABMO CCC[NH+](CCC)CN1C(=O)CSC1=O ZINC000055107172 169146684 /nfs/dbraw/zinc/14/66/84/169146684.db2.gz YFXBWXIUAFBENO-UHFFFAOYSA-N 1 1 230.333 1.761 40 0 BDABMO CN(CC[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000054417030 383843093 /nfs/dbraw/zinc/84/30/93/383843093.db2.gz WWURKPADSHUWHP-AWEZNQCLSA-N 1 1 233.359 1.151 40 0 BDABMO O=C1OCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000004203322 384044210 /nfs/dbraw/zinc/04/42/10/384044210.db2.gz XLCRTPSFIQQHEF-QWHCGFSZSA-N 1 1 231.295 1.682 40 0 BDABMO CC[N@@H+](CCO)C[C@@H]1COc2ccccc2O1 ZINC000005807693 384129267 /nfs/dbraw/zinc/12/92/67/384129267.db2.gz IJVPIJBQDRDFIM-LLVKDONJSA-N 1 1 237.299 1.141 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000072187436 384197328 /nfs/dbraw/zinc/19/73/28/384197328.db2.gz LNTDJAQQPGLCGB-OLZOCXBDSA-N 1 1 249.310 1.042 40 0 BDABMO Cc1ccc([C@H]2CCC[N@H+](CC(N)=O)C2)nc1 ZINC000072361146 384214067 /nfs/dbraw/zinc/21/40/67/384214067.db2.gz RDCPAACCUVWASM-NSHDSACASA-N 1 1 233.315 1.055 40 0 BDABMO Cc1ccc([C@H]2CCC[N@@H+](CC(N)=O)C2)nc1 ZINC000072361146 384214074 /nfs/dbraw/zinc/21/40/74/384214074.db2.gz RDCPAACCUVWASM-NSHDSACASA-N 1 1 233.315 1.055 40 0 BDABMO c1cncc(-c2nnc(C3CC[NH2+]CC3)[nH]2)c1 ZINC000012114031 384307189 /nfs/dbraw/zinc/30/71/89/384307189.db2.gz DFPRLLXWEWTIII-UHFFFAOYSA-N 1 1 229.287 1.334 40 0 BDABMO CN1C(=O)CCC[C@@]12CCC[N@@H+](CC1CC1)C2 ZINC000096049979 384430197 /nfs/dbraw/zinc/43/01/97/384430197.db2.gz MMCGWSQUHXESLZ-AWEZNQCLSA-N 1 1 236.359 1.873 40 0 BDABMO CN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccc(N)cc1 ZINC000242548501 384757303 /nfs/dbraw/zinc/75/73/03/384757303.db2.gz LOROOKGTJUHXJH-QWHCGFSZSA-N 1 1 247.342 1.002 40 0 BDABMO CC[C@@](C)([C@H](CN)CO)[NH+]1CCCCC1 ZINC000072210360 385068345 /nfs/dbraw/zinc/06/83/45/385068345.db2.gz ILZQINXJZRKOEF-NEPJUHHUSA-N 1 1 214.353 1.208 40 0 BDABMO CC[C@@H]([NH3+])c1ccc(N2CCN(C)CC2)nc1C ZINC000072224655 385119284 /nfs/dbraw/zinc/11/92/84/385119284.db2.gz SHXCTAYAUDJBCR-CYBMUJFWSA-N 1 1 248.374 1.552 40 0 BDABMO Cc1ccc([C@@H](CO)[NH+]2CCOCC2)cc1 ZINC000031555275 385085905 /nfs/dbraw/zinc/08/59/05/385085905.db2.gz INOQMQSETMLXJI-CYBMUJFWSA-N 1 1 221.300 1.361 40 0 BDABMO Cc1cc(N(C)C)[nH+]cc1[C@@H]1CCCN1C=O ZINC000072218667 385099593 /nfs/dbraw/zinc/09/95/93/385099593.db2.gz MMEFKDCFVGBWOA-LBPRGKRZSA-N 1 1 233.315 1.749 40 0 BDABMO CC(=O)N1CCC[C@H]1c1c[nH+]c(N)cc1C ZINC000072218493 385101971 /nfs/dbraw/zinc/10/19/71/385101971.db2.gz DXRXYSDAQZTIDJ-NSHDSACASA-N 1 1 219.288 1.656 40 0 BDABMO COc1cc(N)ccc1NC(=O)C[NH+]1CCCC1 ZINC000008703619 385257279 /nfs/dbraw/zinc/25/72/79/385257279.db2.gz MXZLESREHWGFPQ-UHFFFAOYSA-N 1 1 249.314 1.312 40 0 BDABMO N[C@H](C[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000096523467 385268323 /nfs/dbraw/zinc/26/83/23/385268323.db2.gz GFVQRGJVAZDQEI-CHWSQXEVSA-N 1 1 220.316 1.143 40 0 BDABMO [NH3+][C@H](CN1CCC[C@@H]1CO)c1ccccc1 ZINC000096523467 385268331 /nfs/dbraw/zinc/26/83/31/385268331.db2.gz GFVQRGJVAZDQEI-CHWSQXEVSA-N 1 1 220.316 1.143 40 0 BDABMO [NH3+]C[C@@H]1CCCCN1Cc1cc(C2CC2)[nH]n1 ZINC000096523601 385269862 /nfs/dbraw/zinc/26/98/62/385269862.db2.gz XJFCNWYOOWCIBZ-LBPRGKRZSA-N 1 1 234.347 1.600 40 0 BDABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2CC)cc1 ZINC000096526062 385277641 /nfs/dbraw/zinc/27/76/41/385277641.db2.gz YRKHJPRRLUVKIE-RYUDHWBXSA-N 1 1 218.300 1.480 40 0 BDABMO C[N@H+](C[C@@H](O)CNC1CC1)C1CCCCC1 ZINC000036950402 385591590 /nfs/dbraw/zinc/59/15/90/385591590.db2.gz FHOSPTNVHXYWAO-ZDUSSCGKSA-N 1 1 226.364 1.364 40 0 BDABMO C[N@@H+](C[C@@H](O)CNC1CC1)C1CCCCC1 ZINC000036950402 385591595 /nfs/dbraw/zinc/59/15/95/385591595.db2.gz FHOSPTNVHXYWAO-ZDUSSCGKSA-N 1 1 226.364 1.364 40 0 BDABMO COC(=O)[C@@H]([NH3+])C[C@@H]1CNc2ccccc21 ZINC000064219457 385619643 /nfs/dbraw/zinc/61/96/43/385619643.db2.gz KXWLCQZBNINEFO-SCZZXKLOSA-N 1 1 220.272 1.086 40 0 BDABMO C[C@]1(C(N)=O)CCC[N@@H+](Cc2ccncc2)C1 ZINC000257234343 385754730 /nfs/dbraw/zinc/75/47/30/385754730.db2.gz GTBSEOLHYMYDDR-ZDUSSCGKSA-N 1 1 233.315 1.169 40 0 BDABMO CCOCC[N@H+]1CC[C@H](c2n[nH]cc2C)C1 ZINC000257237447 385756605 /nfs/dbraw/zinc/75/66/05/385756605.db2.gz HGMPXACIERJKDQ-NSHDSACASA-N 1 1 223.320 1.544 40 0 BDABMO CCN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000257303644 385761240 /nfs/dbraw/zinc/76/12/40/385761240.db2.gz SIAZKJVDSIKGPO-CYBMUJFWSA-N 1 1 247.342 1.940 40 0 BDABMO Clc1ccc2c(c1)[C@@]1(CCO2)COCC[NH2+]1 ZINC000306145439 385993829 /nfs/dbraw/zinc/99/38/29/385993829.db2.gz FLMXCRSKJJCJDG-GFCCVEGCSA-N 1 1 239.702 1.938 40 0 BDABMO NC[C@@H]([NH3+])c1ccccc1Br ZINC000034155392 386072556 /nfs/dbraw/zinc/07/25/56/386072556.db2.gz PAMGDOWWTHYUTI-MRVPVSSYSA-N 1 1 215.094 1.408 40 0 BDABMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000067800920 387854826 /nfs/dbraw/zinc/85/48/26/387854826.db2.gz GOLIFRGHZSFNBN-NSHDSACASA-N 1 1 240.347 1.995 40 0 BDABMO CC(C)c1cc(C[NH2+]Cc2cnn(C)c2)n(C)n1 ZINC000256050591 387859026 /nfs/dbraw/zinc/85/90/26/387859026.db2.gz FQZWUIHTEABUIH-UHFFFAOYSA-N 1 1 247.346 1.567 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1cccc(OC)c1 ZINC000242548486 388399359 /nfs/dbraw/zinc/39/93/59/388399359.db2.gz LNISMTZZVFQDHO-STQMWFEESA-N 1 1 249.310 1.513 40 0 BDABMO Cc1ccnc(NC[C@H]2CCC[NH2+]C2)c1 ZINC000040434813 388415662 /nfs/dbraw/zinc/41/56/62/388415662.db2.gz DHMJFUSHVHBRAX-NSHDSACASA-N 1 1 205.305 1.802 40 0 BDABMO Cc1nc([C@@H]([NH3+])c2ccc(C)cc2)nn1C ZINC000095534206 388776172 /nfs/dbraw/zinc/77/61/72/388776172.db2.gz IVPTWYKUTUJRCF-NSHDSACASA-N 1 1 216.288 1.480 40 0 BDABMO CC[NH+]1CCN(c2ncc(C=O)cc2C)CC1 ZINC000072222575 132396768 /nfs/dbraw/zinc/39/67/68/132396768.db2.gz VRXHFMQAHJTYML-UHFFFAOYSA-N 1 1 233.315 1.344 40 0 BDABMO CC(C)[N@H+]1C[C@H]2Cc3nc(N(C)C)ncc3[C@H]2C1 ZINC000306125607 167035639 /nfs/dbraw/zinc/03/56/39/167035639.db2.gz CVLLHMFDFRGLRS-PWSUYJOCSA-N 1 1 246.358 1.523 40 0 BDABMO CC(C)OCCC[NH2+][C@H]1CCCC[C@@H]1N ZINC000218857098 167223704 /nfs/dbraw/zinc/22/37/04/167223704.db2.gz WEZFGFVFJDXANV-RYUDHWBXSA-N 1 1 214.353 1.661 40 0 BDABMO CC(C)OCCC[NH2+][C@H]1CCCC[C@H]1N ZINC000218857227 167224319 /nfs/dbraw/zinc/22/43/19/167224319.db2.gz WEZFGFVFJDXANV-NEPJUHHUSA-N 1 1 214.353 1.661 40 0 BDABMO CC(C)OCCC[NH2+][C@H]1CCC[C@@H]1N ZINC000218873819 167224447 /nfs/dbraw/zinc/22/44/47/167224447.db2.gz ARDDYTTVTDFFBK-QWRGUYRKSA-N 1 1 200.326 1.271 40 0 BDABMO CCNC(=O)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000073633241 170074114 /nfs/dbraw/zinc/07/41/14/170074114.db2.gz ZCVOKNKWDWOFAS-LBPRGKRZSA-N 1 1 233.315 1.362 40 0 BDABMO CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000257291219 170100733 /nfs/dbraw/zinc/10/07/33/170100733.db2.gz QGDROGIHXCFWDY-LBPRGKRZSA-N 1 1 233.315 1.598 40 0 BDABMO CCOC(=O)C1[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000026897538 170193419 /nfs/dbraw/zinc/19/34/19/170193419.db2.gz YUKFHBYDDJRSIY-PBWFPOADSA-N 1 1 245.322 1.928 40 0 BDABMO CCOC(=O)c1ccc2[nH]c(N)[nH+]c2c1 ZINC000005114844 170298184 /nfs/dbraw/zinc/29/81/84/170298184.db2.gz ZCHQDHMYPQXPQL-UHFFFAOYSA-N 1 1 205.217 1.322 40 0 BDABMO C[C@@H]1C[C@H]2C=CC=C[C@H]2[N@H+]1Cc1cc(N)nn1C ZINC000408716627 411915332 /nfs/dbraw/zinc/91/53/32/411915332.db2.gz OZGNYYJORXTVMQ-NQBHXWOUSA-N 1 1 244.342 1.707 40 0 BDABMO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510523 172029561 /nfs/dbraw/zinc/02/95/61/172029561.db2.gz LBACWQHVIOANBO-VXGBXAGGSA-N 1 1 235.331 1.481 40 0 BDABMO Cn1nc([C@H]2CCCC[N@@H+]2C)cc1CCO ZINC000072382177 173008043 /nfs/dbraw/zinc/00/80/43/173008043.db2.gz WJEMDSULNSQOON-GFCCVEGCSA-N 1 1 223.320 1.112 40 0 BDABMO Cn1nc([C@H]2CCCC[N@H+]2C)cc1CCO ZINC000072382177 173008044 /nfs/dbraw/zinc/00/80/44/173008044.db2.gz WJEMDSULNSQOON-GFCCVEGCSA-N 1 1 223.320 1.112 40 0 BDABMO Cn1nc([C@@H]2CCC[N@@H+](C)C2)c2nccnc21 ZINC000072370019 173023299 /nfs/dbraw/zinc/02/32/99/173023299.db2.gz WRGQFIMYCVFSQY-SECBINFHSA-N 1 1 231.303 1.173 40 0 BDABMO C[N@@H+]1CCC[C@@H]1CNCc1cccnc1 ZINC000096511172 173033809 /nfs/dbraw/zinc/03/38/09/173033809.db2.gz YBKZMBOJZAMGAS-GFCCVEGCSA-N 1 1 205.305 1.265 40 0 BDABMO C[N@H+]1CCC[C@@H]1CNCc1cccnc1 ZINC000096511172 173033810 /nfs/dbraw/zinc/03/38/10/173033810.db2.gz YBKZMBOJZAMGAS-GFCCVEGCSA-N 1 1 205.305 1.265 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)NCc2ccco2)C1 ZINC000082304939 173038871 /nfs/dbraw/zinc/03/88/71/173038871.db2.gz SDHAVIFGVAPSSO-JTQLQIEISA-N 1 1 222.288 1.238 40 0 BDABMO CN(C)[C@@H]1CC[N@@H+](C)[C@H]1Cc1ccccc1 ZINC000096261357 173117286 /nfs/dbraw/zinc/11/72/86/173117286.db2.gz WZXWDWMJBVAHKG-KGLIPLIRSA-N 1 1 218.344 1.863 40 0 BDABMO CN1CC[C@@H]([NH+](C)C)[C@@H]1Cc1ccccc1 ZINC000096261357 173117289 /nfs/dbraw/zinc/11/72/89/173117289.db2.gz WZXWDWMJBVAHKG-KGLIPLIRSA-N 1 1 218.344 1.863 40 0 BDABMO C[N@@H+]1CCc2onc(CNc3ncccn3)c2C1 ZINC000096259734 173173666 /nfs/dbraw/zinc/17/36/66/173173666.db2.gz JFBPDQFEALSHEW-UHFFFAOYSA-N 1 1 245.286 1.065 40 0 BDABMO C[N@H+]1CCc2onc(CNc3ncccn3)c2C1 ZINC000096259734 173173668 /nfs/dbraw/zinc/17/36/68/173173668.db2.gz JFBPDQFEALSHEW-UHFFFAOYSA-N 1 1 245.286 1.065 40 0 BDABMO CN1Cc2c(C[NH+]3CCCCC3)nn(C)c2C1 ZINC000096094617 173200522 /nfs/dbraw/zinc/20/05/22/173200522.db2.gz IBASHVMGPVSXIZ-UHFFFAOYSA-N 1 1 234.347 1.351 40 0 BDABMO CNC(=O)C[N@H+]1CC[C@@]2(C)C[C@H](OC)CC[C@@H]12 ZINC000257216099 173274747 /nfs/dbraw/zinc/27/47/47/173274747.db2.gz CTCBOUBQQVJTID-WZRBSPASSA-N 1 1 240.347 1.012 40 0 BDABMO COc1ccc(C[N@H+]2CC[C@H](O)C2)cc1Cl ZINC000038538911 175102920 /nfs/dbraw/zinc/10/29/20/175102920.db2.gz BTRUBANQYGVSJZ-JTQLQIEISA-N 1 1 241.718 1.915 40 0 BDABMO COc1ccc(C[C@H]([NH3+])C(=O)OC(C)C)cc1 ZINC000001679147 175117401 /nfs/dbraw/zinc/11/74/01/175117401.db2.gz YTYXUUPZGLLBET-LBPRGKRZSA-N 1 1 237.299 1.517 40 0 BDABMO COc1cccc([C@@H]([NH3+])c2nc(C)n(C)n2)c1 ZINC000095533638 175288441 /nfs/dbraw/zinc/28/84/41/175288441.db2.gz OELPAZOYMPBPIL-LLVKDONJSA-N 1 1 232.287 1.180 40 0 BDABMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CCO ZINC000016030045 176011275 /nfs/dbraw/zinc/01/12/75/176011275.db2.gz DZUDAROQGILUTD-CMPLNLGQSA-N 1 1 209.289 1.033 40 0 in-vitro BDABMO C[C@@H](c1nccs1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000100191384 176039280 /nfs/dbraw/zinc/03/92/80/176039280.db2.gz VLGMOLAFUBVKKH-VHSXEESVSA-N 1 1 226.345 1.908 40 0 BDABMO C[C@@H](c1nccs1)[N@H+]1CCC[C@@H](CO)C1 ZINC000100191384 176039281 /nfs/dbraw/zinc/03/92/81/176039281.db2.gz VLGMOLAFUBVKKH-VHSXEESVSA-N 1 1 226.345 1.908 40 0 BDABMO C[C@H]1C[C@@H]2CC[N@@H+](CC3CCOCC3)C[C@H]2O1 ZINC000096062545 177352850 /nfs/dbraw/zinc/35/28/50/177352850.db2.gz SNHRWDYVVVTPKP-FPMFFAJLSA-N 1 1 239.359 1.912 40 0 BDABMO C[C@H]1C[C@H]2C[N@H+](C3CCOCC3)CC[C@@H]2O1 ZINC000096070526 177387126 /nfs/dbraw/zinc/38/71/26/177387126.db2.gz AYMDVFVJNDVDLW-GVXVVHGQSA-N 1 1 225.332 1.665 40 0 BDABMO C[NH+]1CCN(c2c(N)cccc2F)CC1 ZINC000067800744 536417854 /nfs/dbraw/zinc/41/78/54/536417854.db2.gz ZBUGWIFLFKJZNJ-UHFFFAOYSA-N 1 1 209.268 1.160 40 0 BDABMO CNc1cc(NCCCOC(C)C)[nH+]c(C)n1 ZINC000383552479 642334079 /nfs/dbraw/zinc/33/40/79/642334079.db2.gz PHROELWFQGPFBC-UHFFFAOYSA-N 1 1 238.335 2.054 40 0 BDABMO COC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1OC ZINC000002547052 968489938 /nfs/dbraw/zinc/48/99/38/968489938.db2.gz IMGPTJPNIMPQCR-STQMWFEESA-N 1 1 249.310 1.306 40 0 BDABMO C[NH+](C)[C@H](CO)c1ccc(F)cc1F ZINC000070452785 259313201 /nfs/dbraw/zinc/31/32/01/259313201.db2.gz BFQJMLGUHRXYIP-SNVBAGLBSA-N 1 1 201.216 1.560 40 0 BDABMO CC(C)[C@H]([C@H](CN)CO)[NH+]1CCCCC1 ZINC000072210600 259317479 /nfs/dbraw/zinc/31/74/79/259317479.db2.gz HLBGNVNRZIRRAK-VXGBXAGGSA-N 1 1 214.353 1.064 40 0 BDABMO O=C1CCC[C@H]2[C@@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000008681774 342801971 /nfs/dbraw/zinc/80/19/71/342801971.db2.gz ZSBXGIUJOOQZMP-ABHRYQDASA-N 1 1 248.370 1.872 40 0 biogenic BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1cccc(F)c1 ZINC000217668204 398322560 /nfs/dbraw/zinc/32/25/60/398322560.db2.gz RECSJVDZPUFSAZ-VXGBXAGGSA-N 1 1 237.274 1.644 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccc(F)cc1 ZINC000217668489 398322754 /nfs/dbraw/zinc/32/27/54/398322754.db2.gz AAMDSQYMUNGGNR-NEPJUHHUSA-N 1 1 237.274 1.644 40 0 BDABMO COC(=O)C[C@H]1COCC[N@@H+]1Cc1ccccc1 ZINC000016696999 342914418 /nfs/dbraw/zinc/91/44/18/342914418.db2.gz NDALEGUOVNXIKT-ZDUSSCGKSA-N 1 1 249.310 1.451 40 0 BDABMO COC(=O)C[C@H]1COCC[N@H+]1Cc1ccccc1 ZINC000016696999 342914420 /nfs/dbraw/zinc/91/44/20/342914420.db2.gz NDALEGUOVNXIKT-ZDUSSCGKSA-N 1 1 249.310 1.451 40 0 BDABMO CC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000004028830 398327985 /nfs/dbraw/zinc/32/79/85/398327985.db2.gz WRCNAOJPCHQUCI-NWDGAFQWSA-N 1 1 211.305 1.814 40 0 biogenic BDABMO Cc1ccc(CC(=O)N2CC[NH+](C)CC2)cc1C ZINC000026114434 343100910 /nfs/dbraw/zinc/10/09/10/343100910.db2.gz RRMNFAPYUTVTBQ-UHFFFAOYSA-N 1 1 246.354 1.620 40 0 BDABMO O=S1(=O)C[C@]2([NH+]3CCCC3)CCCC[C@@H]21 ZINC000031672279 343222594 /nfs/dbraw/zinc/22/25/94/343222594.db2.gz RLYYJMGLABZEAL-WDEREUQCSA-N 1 1 229.345 1.192 40 0 BDABMO C[C@@H](O)CNCC[NH2+]C/C=C/c1ccccc1 ZINC000022075256 136277966 /nfs/dbraw/zinc/27/79/66/136277966.db2.gz SXNUHEXNBZRAMU-OQHXTRMZSA-N 1 1 234.343 1.260 40 0 BDABMO Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000038538880 343783042 /nfs/dbraw/zinc/78/30/42/343783042.db2.gz ZYXHHHMIXGLBHF-CYBMUJFWSA-N 1 1 205.301 1.870 40 0 BDABMO O=C(c1cccnc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932149 347209919 /nfs/dbraw/zinc/20/99/19/347209919.db2.gz UXTGUILTYJCTMN-LBPRGKRZSA-N 1 1 231.299 1.002 40 0 BDABMO C[NH+](C)Cc1ncc(-c2ccc(N)cc2)o1 ZINC000026443935 347602480 /nfs/dbraw/zinc/60/24/80/347602480.db2.gz IRIUKIPOPKWXDZ-UHFFFAOYSA-N 1 1 217.272 1.985 40 0 BDABMO Cc1cccn2cc(Cn3ccccc3=O)[nH+]c12 ZINC000000248381 179357521 /nfs/dbraw/zinc/35/75/21/179357521.db2.gz HXHXYDPBZTXTOJ-UHFFFAOYSA-N 1 1 239.278 1.853 40 0 BDABMO Cc1nc([C@H]([NH3+])c2ccccc2)nn1C ZINC000082531774 180055654 /nfs/dbraw/zinc/05/56/54/180055654.db2.gz PWDJVMJLOILFSA-SNVBAGLBSA-N 1 1 202.261 1.172 40 0 BDABMO Cc1nccn1[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510522 180270920 /nfs/dbraw/zinc/27/09/20/180270920.db2.gz LMWGTGDTFNJUHL-NWDGAFQWSA-N 1 1 221.304 1.227 40 0 BDABMO CCc1[nH+]c(N)ccc1[C@@H]1CCNC(=O)C1 ZINC000199781678 363186063 /nfs/dbraw/zinc/18/60/63/363186063.db2.gz KCQLQFMICIQEJH-MRVPVSSYSA-N 1 1 219.288 1.220 40 0 BDABMO CC[NH+]1CCC([N@@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000086728849 352547232 /nfs/dbraw/zinc/54/72/32/352547232.db2.gz YUIMDAZMDDAEQG-LLVKDONJSA-N 1 1 240.347 1.267 40 0 BDABMO CC[NH+]1CCC([N@H+]2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000086728849 352547234 /nfs/dbraw/zinc/54/72/34/352547234.db2.gz YUIMDAZMDDAEQG-LLVKDONJSA-N 1 1 240.347 1.267 40 0 BDABMO O=C1C[C@@]2(CN1)CCCC[N@H+]2CC1CC1 ZINC000306141607 352983263 /nfs/dbraw/zinc/98/32/63/352983263.db2.gz WCAQEUUVJFNFQU-GFCCVEGCSA-N 1 1 208.305 1.141 40 0 BDABMO CC(C)[N@H+]1CC[C@@H](c2ccnc(N)n2)C1 ZINC000072356979 188132039 /nfs/dbraw/zinc/13/20/39/188132039.db2.gz MVSXEMCZGMALSC-SECBINFHSA-N 1 1 206.293 1.257 40 0 BDABMO [NH3+]CC(=O)c1ccccc1OCC(F)(F)F ZINC000169800046 188161384 /nfs/dbraw/zinc/16/13/84/188161384.db2.gz UWIVVSOHBLTGEI-UHFFFAOYSA-N 1 1 233.189 1.769 40 0 BDABMO [NH3+]CC(=O)c1ccccc1OCC(F)F ZINC000169800048 188162019 /nfs/dbraw/zinc/16/20/19/188162019.db2.gz GEFDAPXVNODTRG-UHFFFAOYSA-N 1 1 215.199 1.472 40 0 BDABMO CC(C)N(C)Cc1ncn2c1C[NH2+]CCC2 ZINC000096259474 188147637 /nfs/dbraw/zinc/14/76/37/188147637.db2.gz WDXKSUCGOFGSKX-UHFFFAOYSA-N 1 1 222.336 1.217 40 0 BDABMO CC(C)Cn1nccc1C[NH2+]Cc1cnn(C)c1 ZINC000256052851 188193449 /nfs/dbraw/zinc/19/34/49/188193449.db2.gz OXLWHROUGSYCED-UHFFFAOYSA-N 1 1 247.346 1.562 40 0 BDABMO CNC(=O)c1cccc([C@H]2CCC[N@H+]2C(C)C)n1 ZINC000257309633 188193727 /nfs/dbraw/zinc/19/37/27/188193727.db2.gz UBSYWXVMNBXDHU-CYBMUJFWSA-N 1 1 247.342 1.987 40 0 BDABMO COc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1F ZINC000038539714 188178685 /nfs/dbraw/zinc/17/86/85/188178685.db2.gz OKMSEIGDLVJSFK-LLVKDONJSA-N 1 1 239.290 1.791 40 0 BDABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000205682472 368356616 /nfs/dbraw/zinc/35/66/16/368356616.db2.gz JQIPIFNWRXFEID-NSHDSACASA-N 1 1 245.330 1.821 40 0 BDABMO Cc1c[nH]nc1[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000205682472 368356622 /nfs/dbraw/zinc/35/66/22/368356622.db2.gz JQIPIFNWRXFEID-NSHDSACASA-N 1 1 245.330 1.821 40 0 BDABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000205682472 368356626 /nfs/dbraw/zinc/35/66/26/368356626.db2.gz JQIPIFNWRXFEID-NSHDSACASA-N 1 1 245.330 1.821 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1nccnc1-c1ncc[nH]1 ZINC000205695866 368358299 /nfs/dbraw/zinc/35/82/99/368358299.db2.gz RVGRHJQUHABKHV-SECBINFHSA-N 1 1 229.287 1.633 40 0 BDABMO CC(C)(C)N1C(=O)[C@H]([NH3+])[C@H]1c1ccccc1F ZINC000256050664 370634569 /nfs/dbraw/zinc/63/45/69/370634569.db2.gz GBEPZEFDCBRQMQ-GHMZBOCLSA-N 1 1 236.290 1.835 40 0 BDABMO O=c1ccc2c([nH]1)CC[N@H+](CC1CC1)CC2 ZINC000096196631 183001283 /nfs/dbraw/zinc/00/12/83/183001283.db2.gz XBLZQPMOGRMNNI-UHFFFAOYSA-N 1 1 218.300 1.186 40 0 BDABMO OCCOC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079390535 183087097 /nfs/dbraw/zinc/08/70/97/183087097.db2.gz XQOARWVJYUQOOB-AWEZNQCLSA-N 1 1 235.327 1.517 40 0 BDABMO c1c[nH]c(C[N@@H+]2CC[C@@H](c3cc[nH]n3)C2)n1 ZINC000072382066 183325160 /nfs/dbraw/zinc/32/51/60/183325160.db2.gz WCZSUPZKZRAUBW-SECBINFHSA-N 1 1 217.276 1.122 40 0 BDABMO c1c[nH]c(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)n1 ZINC000072382066 183325162 /nfs/dbraw/zinc/32/51/62/183325162.db2.gz WCZSUPZKZRAUBW-SECBINFHSA-N 1 1 217.276 1.122 40 0 BDABMO CCC[N@H+]1CCC[C@H](OC(=O)N(C)C)C1 ZINC000001731652 169198468 /nfs/dbraw/zinc/19/84/68/169198468.db2.gz XSQCLJYZXBTODL-JTQLQIEISA-N 1 1 214.309 1.559 40 0 BDABMO CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000065252007 169368533 /nfs/dbraw/zinc/36/85/33/169368533.db2.gz CPUMRFUYCXVDDT-MNOVXSKESA-N 1 1 212.337 1.633 40 0 BDABMO CN(CC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000054417037 383841099 /nfs/dbraw/zinc/84/10/99/383841099.db2.gz MZQKEWUMXPKZHI-OAHLLOKOSA-N 1 1 247.386 1.542 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000003599497 384020115 /nfs/dbraw/zinc/02/01/15/384020115.db2.gz LJZSMGYSNXRFQB-LLVKDONJSA-N 1 1 210.321 1.341 40 0 BDABMO CC(=O)O[C@@H]1C[N@@H+](C)CC=C1c1ccccc1 ZINC000003634821 384023404 /nfs/dbraw/zinc/02/34/04/384023404.db2.gz MIOQWSQOMBWYPJ-CQSZACIVSA-N 1 1 231.295 1.947 40 0 BDABMO NC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000035677006 384088901 /nfs/dbraw/zinc/08/89/01/384088901.db2.gz OOXAINRQIVQQDU-ZETCQYMHSA-N 1 1 205.088 1.952 40 0 BDABMO CC(=O)NC1CCC([N@H+](CCO)C(C)C)CC1 ZINC000079405444 384133440 /nfs/dbraw/zinc/13/34/40/384133440.db2.gz TXUMEMUVUAAHNB-UHFFFAOYSA-N 1 1 242.363 1.136 40 0 BDABMO OCC[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000079393481 384134348 /nfs/dbraw/zinc/13/43/48/384134348.db2.gz FRALCQXAZQYWSC-HNNXBMFYSA-N 1 1 248.370 1.481 40 0 BDABMO CC[N@@H+](CCO)C[C@H]1COc2ccccc2O1 ZINC000005807694 384129476 /nfs/dbraw/zinc/12/94/76/384129476.db2.gz IJVPIJBQDRDFIM-NSHDSACASA-N 1 1 237.299 1.141 40 0 BDABMO NNc1[nH+]cnc2c3cc(F)ccc3[nH]c21 ZINC000408712449 384179819 /nfs/dbraw/zinc/17/98/19/384179819.db2.gz HSHAJBAMRSPRAR-UHFFFAOYSA-N 1 1 217.207 1.536 40 0 BDABMO Nc1nccc([C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000072350806 384210503 /nfs/dbraw/zinc/21/05/03/384210503.db2.gz BACIVSYUCIPNOF-LLVKDONJSA-N 1 1 232.331 1.648 40 0 BDABMO O=C(c1c[nH]nc1[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000072352899 384211268 /nfs/dbraw/zinc/21/12/68/384211268.db2.gz OCOSOJFKQLFZTG-NSHDSACASA-N 1 1 248.330 1.460 40 0 BDABMO Cc1c[nH]nc1[C@@H]1C[N@H+](CC2CC2)CCO1 ZINC000072383327 384218888 /nfs/dbraw/zinc/21/88/88/384218888.db2.gz BEKLCRHJLLFTPF-NSHDSACASA-N 1 1 221.304 1.501 40 0 BDABMO Cc1c[nH]nc1[C@@H]1C[N@@H+](CC2CC2)CCO1 ZINC000072383327 384218891 /nfs/dbraw/zinc/21/88/91/384218891.db2.gz BEKLCRHJLLFTPF-NSHDSACASA-N 1 1 221.304 1.501 40 0 BDABMO C[N@@H+](C1CC1)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000100177978 384282593 /nfs/dbraw/zinc/28/25/93/384282593.db2.gz MLOAZEOHZUISAY-AOOOYVTPSA-N 1 1 226.320 1.066 40 0 BDABMO COc1ncccc1C[N@@H+]1C[C@@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096045716 384427353 /nfs/dbraw/zinc/42/73/53/384427353.db2.gz JUKGKTYGGSNWMZ-KGYLQXTDSA-N 1 1 248.326 1.699 40 0 BDABMO COc1ncccc1C[N@H+]1C[C@@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096045716 384427358 /nfs/dbraw/zinc/42/73/58/384427358.db2.gz JUKGKTYGGSNWMZ-KGYLQXTDSA-N 1 1 248.326 1.699 40 0 BDABMO [NH3+]CCSC(O)(C(F)(F)F)C(F)(F)F ZINC000001723912 384450334 /nfs/dbraw/zinc/45/03/34/384450334.db2.gz MGPCOZJFYBZPPQ-UHFFFAOYSA-N 1 1 243.172 1.492 40 0 BDABMO Cc1c2c(cc3c1[C@@H](O)C[N@@H+](C)C3)OCO2 ZINC000096171903 384440652 /nfs/dbraw/zinc/44/06/52/384440652.db2.gz NDWDKKMPLUOFFN-VIFPVBQESA-N 1 1 221.256 1.203 40 0 BDABMO Cc1c2c(cc3c1[C@@H](O)C[N@H+](C)C3)OCO2 ZINC000096171903 384440656 /nfs/dbraw/zinc/44/06/56/384440656.db2.gz NDWDKKMPLUOFFN-VIFPVBQESA-N 1 1 221.256 1.203 40 0 BDABMO CSc1ccc(C[N@@H+](C)CCO)cc1 ZINC000049633809 384552733 /nfs/dbraw/zinc/55/27/33/384552733.db2.gz JHWSJJUNJDQNQF-UHFFFAOYSA-N 1 1 211.330 1.833 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1O ZINC000100040765 384610951 /nfs/dbraw/zinc/61/09/51/384610951.db2.gz LNTDJAQQPGLCGB-CHWSQXEVSA-N 1 1 249.310 1.042 40 0 BDABMO CCn1ncnc1C[NH2+]Cc1ccccc1 ZINC000083977310 384664356 /nfs/dbraw/zinc/66/43/56/384664356.db2.gz FODYTQPRBONUSQ-UHFFFAOYSA-N 1 1 216.288 1.588 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)NCc2ccccc2)C1 ZINC000082305172 384662474 /nfs/dbraw/zinc/66/24/74/384662474.db2.gz XNRKFWDLNLERKB-CYBMUJFWSA-N 1 1 232.327 1.645 40 0 BDABMO Cc1ccc(C)c(OCC[NH+]2CCN(C)CC2)c1 ZINC000022942799 384779559 /nfs/dbraw/zinc/77/95/59/384779559.db2.gz LDICLFCKIDUYGS-UHFFFAOYSA-N 1 1 248.370 1.930 40 0 BDABMO C[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@H](CO)C1 ZINC000080490224 384781811 /nfs/dbraw/zinc/78/18/11/384781811.db2.gz ZMPBLBRIIUTUJO-JQWIXIFHSA-N 1 1 209.264 1.463 40 0 BDABMO CCN1CCN(c2ncc([C@H](C)[NH3+])cc2C)CC1 ZINC000072222592 385112966 /nfs/dbraw/zinc/11/29/66/385112966.db2.gz ZGJZPLGDSGFAKM-LBPRGKRZSA-N 1 1 248.374 1.552 40 0 BDABMO Cc1cc(N2CCCCC2)[nH+]cc1CO ZINC000072223492 385113166 /nfs/dbraw/zinc/11/31/66/385113166.db2.gz JCVGVWMEHQAUPR-UHFFFAOYSA-N 1 1 206.289 1.873 40 0 BDABMO CCN1CCN(c2ccc([C@@H](C)[NH3+])cn2)CC1 ZINC000072225551 385121819 /nfs/dbraw/zinc/12/18/19/385121819.db2.gz VMPLEBFYTQRCKI-LLVKDONJSA-N 1 1 234.347 1.243 40 0 BDABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccco1 ZINC000072228136 385127614 /nfs/dbraw/zinc/12/76/14/385127614.db2.gz ZITVDBMCNCLZAD-CHWSQXEVSA-N 1 1 242.278 1.690 40 0 BDABMO CC(=O)N1CCC[C@@H]1c1c[nH+]c(N)cc1C ZINC000072218494 385100464 /nfs/dbraw/zinc/10/04/64/385100464.db2.gz DXRXYSDAQZTIDJ-LLVKDONJSA-N 1 1 219.288 1.656 40 0 BDABMO CC(=O)N1CCC[C@@H]1c1ccc(N)[nH+]c1C ZINC000072218554 385101419 /nfs/dbraw/zinc/10/14/19/385101419.db2.gz UIOCOHGPBAOAFO-LLVKDONJSA-N 1 1 219.288 1.656 40 0 BDABMO [NH3+]C[C@H]1CCCCN1Cc1n[nH]c2c1CCCC2 ZINC000096523572 385269167 /nfs/dbraw/zinc/26/91/67/385269167.db2.gz UYYMKOQPOXCKJZ-LLVKDONJSA-N 1 1 248.374 1.602 40 0 BDABMO CSCC[C@@H](N)C[NH+]1CCCCCC1 ZINC000096523855 385269184 /nfs/dbraw/zinc/26/91/84/385269184.db2.gz NRNUYOIZDFSDNH-LLVKDONJSA-N 1 1 216.394 1.943 40 0 BDABMO CCS(=O)(=O)Cc1c2[nH+]c[nH]c2ccc1N ZINC000096532843 385284776 /nfs/dbraw/zinc/28/47/76/385284776.db2.gz WPPMDERODITZSV-UHFFFAOYSA-N 1 1 239.300 1.080 40 0 BDABMO Cc1cc(C)nc(C[C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257258229 385757497 /nfs/dbraw/zinc/75/74/97/385757497.db2.gz KSXDFHXVIKOTOI-ZDUSSCGKSA-N 1 1 249.358 1.340 40 0 BDABMO Cc1nc(-c2cc[nH]n2)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000257288265 385760510 /nfs/dbraw/zinc/76/05/10/385760510.db2.gz PTOIGZNPTUKUIA-ZDUSSCGKSA-N 1 1 243.314 1.942 40 0 BDABMO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000248156223 386747351 /nfs/dbraw/zinc/74/73/51/386747351.db2.gz ZEFJJZJDPDVJSI-NWANDNLSSA-N 1 1 245.370 1.902 40 0 BDABMO COc1ccccc1[C@H]1C[N@@H+](C)C[C@H]1CO ZINC000242648367 386950410 /nfs/dbraw/zinc/95/04/10/386950410.db2.gz QUNRHFORAMKQMF-JQWIXIFHSA-N 1 1 221.300 1.333 40 0 BDABMO FCCn1nccc1C[NH2+]Cc1ccco1 ZINC000256051202 387858487 /nfs/dbraw/zinc/85/84/87/387858487.db2.gz IDJJPCKHQOKSNH-UHFFFAOYSA-N 1 1 223.251 1.735 40 0 BDABMO CCN(CC)CC[NH2+]Cc1ccnn1C(C)C ZINC000256054344 387862874 /nfs/dbraw/zinc/86/28/74/387862874.db2.gz VYDDEEDKKHUBQP-UHFFFAOYSA-N 1 1 238.379 1.895 40 0 BDABMO C[NH2+][C@H](CN)c1cccc(Br)c1 ZINC000050269851 387954628 /nfs/dbraw/zinc/95/46/28/387954628.db2.gz WPDPRPXAAYBHCN-SECBINFHSA-N 1 1 229.121 1.668 40 0 BDABMO C(C[NH+]1CCCC1)c1nc(C2CC2)n[nH]1 ZINC000062719446 388656529 /nfs/dbraw/zinc/65/65/29/388656529.db2.gz JZYDCXNKQXBZBX-UHFFFAOYSA-N 1 1 206.293 1.320 40 0 BDABMO CCOCCC[N@@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000218830476 170373857 /nfs/dbraw/zinc/37/38/57/170373857.db2.gz KZKNJYKAMVANNE-QWHCGFSZSA-N 1 1 226.364 1.629 40 0 BDABMO CCOCCC[N@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000218830476 170373859 /nfs/dbraw/zinc/37/38/59/170373859.db2.gz 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CN(C)c1ncnc2c1CC[N@@H+](CC1CC1)CC2 ZINC000096187685 384443105 /nfs/dbraw/zinc/44/31/05/384443105.db2.gz AFWGLJCHHHTPQE-UHFFFAOYSA-N 1 1 246.358 1.353 40 0 BDABMO OCC[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000049801562 384569658 /nfs/dbraw/zinc/56/96/58/384569658.db2.gz XPXLFAQZPLERJX-CYBMUJFWSA-N 1 1 220.316 1.819 40 0 BDABMO COC(=O)[C@]1([NH3+])CCc2cc(OC)ccc2C1 ZINC000082207929 384649427 /nfs/dbraw/zinc/64/94/27/384649427.db2.gz SYPVNCVANKJJSI-ZDUSSCGKSA-N 1 1 235.283 1.054 40 0 BDABMO Cc1ccn([C@H](C)[C@@H]2CCC[N@@H+]2CCN)n1 ZINC000022763120 384775073 /nfs/dbraw/zinc/77/50/73/384775073.db2.gz TZNNEOLHPHZQRJ-NEPJUHHUSA-N 1 1 222.336 1.176 40 0 BDABMO Cc1ccn([C@H](C)[C@@H]2CCC[N@H+]2CCN)n1 ZINC000022763120 384775079 /nfs/dbraw/zinc/77/50/79/384775079.db2.gz TZNNEOLHPHZQRJ-NEPJUHHUSA-N 1 1 222.336 1.176 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1OC ZINC000217043500 384824301 /nfs/dbraw/zinc/82/43/01/384824301.db2.gz WDEWEEAIKZZIRC-VXGBXAGGSA-N 1 1 249.310 1.513 40 0 BDABMO BrC1=NO[C@@H](C[NH+]2CCCC2)C1 ZINC000095098362 385494708 /nfs/dbraw/zinc/49/47/08/385494708.db2.gz WFEDXVVJGBKEBC-SSDOTTSWSA-N 1 1 233.109 1.580 40 0 BDABMO C[C@@]1(C(N)=O)CCC[N@@H+](Cc2ccncc2)C1 ZINC000257234342 385755026 /nfs/dbraw/zinc/75/50/26/385755026.db2.gz GTBSEOLHYMYDDR-CYBMUJFWSA-N 1 1 233.315 1.169 40 0 BDABMO CC(C)(C)OC(=O)N1CC[NH2+]C2(CSC2)C1 ZINC000306145485 385995405 /nfs/dbraw/zinc/99/54/05/385995405.db2.gz GPPRTUFCMSGHHD-UHFFFAOYSA-N 1 1 244.360 1.312 40 0 BDABMO CCC[C@@H]1SCC[N@H+]1CCC(N)=O ZINC000033901640 386418561 /nfs/dbraw/zinc/41/85/61/386418561.db2.gz GSPYFGAIWDRMBG-VIFPVBQESA-N 1 1 202.323 1.037 40 0 BDABMO C[N@H+]1C[C@@H](CO)[C@@H](c2ccccc2Cl)C1 ZINC000225609102 386673213 /nfs/dbraw/zinc/67/32/13/386673213.db2.gz DDZZQUCYKMUZND-ONGXEEELSA-N 1 1 225.719 1.978 40 0 BDABMO CO[C@@H]1CSC2(C[NH+](Cc3ccoc3)C2)C1 ZINC000247828259 386734585 /nfs/dbraw/zinc/73/45/85/386734585.db2.gz GKRXTOMODUSUSB-NSHDSACASA-N 1 1 239.340 1.986 40 0 BDABMO c1ccc2c(c1)C[C@H](C[NH+]1CCOCC1)N2 ZINC000087655842 386956753 /nfs/dbraw/zinc/95/67/53/386956753.db2.gz WZAOQCGQWSZHKQ-GFCCVEGCSA-N 1 1 218.300 1.355 40 0 BDABMO CC[C@@H](C)NC(=S)N1CC[NH+](CC)CC1 ZINC000004216690 387426899 /nfs/dbraw/zinc/42/68/99/387426899.db2.gz GUYGSWQUGVKSAM-SNVBAGLBSA-N 1 1 229.393 1.297 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccc(OC)cc1 ZINC000242723260 388400798 /nfs/dbraw/zinc/40/07/98/388400798.db2.gz YJRBAAJTLOQLSQ-STQMWFEESA-N 1 1 249.310 1.513 40 0 BDABMO Cc1ccnc(NC[C@@H]2CCC[NH2+]C2)c1 ZINC000040434811 388415950 /nfs/dbraw/zinc/41/59/50/388415950.db2.gz DHMJFUSHVHBRAX-LLVKDONJSA-N 1 1 205.305 1.802 40 0 BDABMO Nc1nnc(CC[NH+]2Cc3ccccc3C2)s1 ZINC000021948457 388823057 /nfs/dbraw/zinc/82/30/57/388823057.db2.gz KORBKTOHEABAMU-UHFFFAOYSA-N 1 1 246.339 1.679 40 0 BDABMO Cc1cc(N)cc(Cl)c1N1CC[NH+](C)CC1 ZINC000045885960 132298771 /nfs/dbraw/zinc/29/87/71/132298771.db2.gz XZPVJZLBHGPAEX-UHFFFAOYSA-N 1 1 239.750 1.982 40 0 BDABMO CCc1cc(Cl)nc(N2CC[NH+](C)CC2)n1 ZINC000022073608 132332399 /nfs/dbraw/zinc/33/23/99/132332399.db2.gz YOHUKMIHRVLROM-UHFFFAOYSA-N 1 1 240.738 1.444 40 0 BDABMO Cc1ccc(N2CCC[C@H](CO)C2)[nH+]c1 ZINC000040434907 132347576 /nfs/dbraw/zinc/34/75/76/132347576.db2.gz JLZKQAIEDWQNSC-NSHDSACASA-N 1 1 206.289 1.599 40 0 BDABMO Cc1cc[nH+]c(N2CCC[C@@H](CO)C2)c1 ZINC000040434872 132347620 /nfs/dbraw/zinc/34/76/20/132347620.db2.gz NFEBSMSULMRMFL-LLVKDONJSA-N 1 1 206.289 1.599 40 0 BDABMO Cc1cc(C=O)cnc1N1CC[NH+](C(C)C)CC1 ZINC000072222653 132396765 /nfs/dbraw/zinc/39/67/65/132396765.db2.gz GBZBBNWIGFKNNU-UHFFFAOYSA-N 1 1 247.342 1.733 40 0 BDABMO CC(C)C(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000046959545 166713507 /nfs/dbraw/zinc/71/35/07/166713507.db2.gz YNZFHKONUKWBPI-LBPRGKRZSA-N 1 1 226.364 1.881 40 0 BDABMO CC(C)OCCC[NH2+][C@@H]1CCCC[C@H]1N ZINC000218857157 167223590 /nfs/dbraw/zinc/22/35/90/167223590.db2.gz WEZFGFVFJDXANV-VXGBXAGGSA-N 1 1 214.353 1.661 40 0 BDABMO CN(C)C[C@@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000062702158 411220251 /nfs/dbraw/zinc/22/02/51/411220251.db2.gz GHGQETRMMUTEAD-BXKDBHETSA-N 1 1 206.289 1.257 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1cccc(F)c1 ZINC000096526092 169947977 /nfs/dbraw/zinc/94/79/77/169947977.db2.gz UORXKGYDDZMKEL-VHSXEESVSA-N 1 1 208.236 1.056 40 0 BDABMO CCOC(=O)c1c(C)[nH]nc1C1CC[NH2+]CC1 ZINC000039953906 170288480 /nfs/dbraw/zinc/28/84/80/170288480.db2.gz RLZFLLYYQFUQNG-UHFFFAOYSA-N 1 1 237.303 1.362 40 0 BDABMO CCOCCC[N@@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218841903 170373551 /nfs/dbraw/zinc/37/35/51/170373551.db2.gz XMJKNXPALFVAJK-VXGBXAGGSA-N 1 1 212.337 1.239 40 0 BDABMO CCOCCC[N@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218841903 170373554 /nfs/dbraw/zinc/37/35/54/170373554.db2.gz XMJKNXPALFVAJK-VXGBXAGGSA-N 1 1 212.337 1.239 40 0 BDABMO CCn1cc(C[NH2+]Cc2ccnn2C(C)C)cn1 ZINC000256051343 172172196 /nfs/dbraw/zinc/17/21/96/172172196.db2.gz ITYVFZRWKMKCKD-UHFFFAOYSA-N 1 1 247.346 1.970 40 0 BDABMO CCn1ncc2c1[C@@H](COC)C[N@@H+](CC1CC1)C2 ZINC000096060164 172257228 /nfs/dbraw/zinc/25/72/28/172257228.db2.gz SYLMFPLZADGJLA-CYBMUJFWSA-N 1 1 249.358 1.859 40 0 BDABMO C[N@H+]1CCCC[C@@]12CCN(c1nncs1)C2 ZINC000096203130 173008668 /nfs/dbraw/zinc/00/86/68/173008668.db2.gz ZIZDXTNIGLGMGR-NSHDSACASA-N 1 1 238.360 1.603 40 0 BDABMO C[N@H+]1CCC[C@@H](Oc2ncccc2N)C1 ZINC000217514858 173022320 /nfs/dbraw/zinc/02/23/20/173022320.db2.gz UQGLMMVVJNNQGB-SECBINFHSA-N 1 1 207.277 1.137 40 0 BDABMO C[N@@H+]1CCC[C@@H]1[C@H]1NCCc2ccccc21 ZINC000022788807 173035521 /nfs/dbraw/zinc/03/55/21/173035521.db2.gz DRIGFTUOAYXPIK-KGLIPLIRSA-N 1 1 216.328 1.968 40 0 BDABMO C[N@H+]1CCC[C@@H]1[C@H]1NCCc2ccccc21 ZINC000022788807 173035523 /nfs/dbraw/zinc/03/55/23/173035523.db2.gz DRIGFTUOAYXPIK-KGLIPLIRSA-N 1 1 216.328 1.968 40 0 BDABMO C[N@H+]1CCC[C@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257217694 173058289 /nfs/dbraw/zinc/05/82/89/173058289.db2.gz DAENNKHENYIYIA-JTQLQIEISA-N 1 1 248.286 1.200 40 0 BDABMO C[N@H+]1CCC[C@]12CCN(c1cccnc1)C2 ZINC000003937365 173061022 /nfs/dbraw/zinc/06/10/22/173061022.db2.gz WIHVDFXARURFKF-CYBMUJFWSA-N 1 1 217.316 1.756 40 0 BDABMO CN1CC[N@@H+](C[C@H]2CCOC2)Cc2cccnc21 ZINC000107214627 173085824 /nfs/dbraw/zinc/08/58/24/173085824.db2.gz CSYFYGNWCSOHCY-GFCCVEGCSA-N 1 1 247.342 1.370 40 0 BDABMO C[N@H+]1CC[C@H](c2[nH]nc3ncccc32)C1 ZINC000257325674 173158177 /nfs/dbraw/zinc/15/81/77/173158177.db2.gz WTYKKUDZSCNUPW-QMMMGPOBSA-N 1 1 202.261 1.377 40 0 BDABMO CN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217664372 173179702 /nfs/dbraw/zinc/17/97/02/173179702.db2.gz LOROOKGTJUHXJH-CHWSQXEVSA-N 1 1 247.342 1.002 40 0 BDABMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000038832074 173298474 /nfs/dbraw/zinc/29/84/74/173298474.db2.gz KSPKXQPGGJTNJE-CYBMUJFWSA-N 1 1 232.327 1.645 40 0 BDABMO COCC[N@@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000072381558 174305330 /nfs/dbraw/zinc/30/53/30/174305330.db2.gz LCDAAOWJIPGOAA-LLVKDONJSA-N 1 1 209.293 1.583 40 0 BDABMO COCC[N@H+]1CCCC[C@@H]1c1cc[nH]n1 ZINC000072381558 174305331 /nfs/dbraw/zinc/30/53/31/174305331.db2.gz LCDAAOWJIPGOAA-LLVKDONJSA-N 1 1 209.293 1.583 40 0 BDABMO COCC[N@@H+]1CCCC[C@@H]1c1cc(CO)n[nH]1 ZINC000072357033 174305673 /nfs/dbraw/zinc/30/56/73/174305673.db2.gz GYHAJAGJULFHSW-GFCCVEGCSA-N 1 1 239.319 1.075 40 0 BDABMO COCC[N@H+]1CCCC[C@@H]1c1cc(CO)n[nH]1 ZINC000072357033 174305675 /nfs/dbraw/zinc/30/56/75/174305675.db2.gz GYHAJAGJULFHSW-GFCCVEGCSA-N 1 1 239.319 1.075 40 0 BDABMO COCC[N@H+]1CC[C@H](OC)[C@@H]1Cc1ccccc1 ZINC000096200387 174316517 /nfs/dbraw/zinc/31/65/17/174316517.db2.gz HJOYELJWFYWHMX-GJZGRUSLSA-N 1 1 249.354 1.965 40 0 BDABMO COCC[N@H+]1C[C@H](O)C[C@@H]1CC(C)C ZINC000217886638 174318216 /nfs/dbraw/zinc/31/82/16/174318216.db2.gz KCSROKQMPMKGEU-WDEREUQCSA-N 1 1 201.310 1.114 40 0 BDABMO COc1ccc2[nH]cc(C(=O)C[NH+](C)C)c2c1 ZINC000000485623 175202058 /nfs/dbraw/zinc/20/20/58/175202058.db2.gz LPMKRELFHFSDTK-UHFFFAOYSA-N 1 1 232.283 1.921 40 0 biogenic BDABMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](O)C1 ZINC000072203944 176027234 /nfs/dbraw/zinc/02/72/34/176027234.db2.gz IKDJNGOSFJDSOY-QWRGUYRKSA-N 1 1 206.289 1.599 40 0 BDABMO C[C@@H]1CC(C)(C)N[C@H]([C@@H]2CCC=CO2)[NH2+]1 ZINC000019325700 176052692 /nfs/dbraw/zinc/05/26/92/176052692.db2.gz HDKKTOGRZBBVBD-OUAUKWLOSA-N 1 1 210.321 1.755 40 0 BDABMO C[C@H](c1nccs1)[NH+]1CCC(CO)CC1 ZINC000072203832 177054088 /nfs/dbraw/zinc/05/40/88/177054088.db2.gz NDTSOZIFHIPDDV-SECBINFHSA-N 1 1 226.345 1.908 40 0 BDABMO CCCn1nccc1C[NH2+]Cc1ccnn1C ZINC000020349932 521673067 /nfs/dbraw/zinc/67/30/67/521673067.db2.gz KMHZWDUHUVITND-UHFFFAOYSA-N 1 1 233.319 1.316 40 0 BDABMO CC(C)C[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000072361113 343979906 /nfs/dbraw/zinc/97/99/06/343979906.db2.gz CTHOPKQUJJLPMQ-NSHDSACASA-N 1 1 234.347 1.894 40 0 BDABMO Cc1cc2c(cc1C[N@H+]1CC[C@H](CO)C1)OCO2 ZINC000013570132 178289475 /nfs/dbraw/zinc/28/94/75/178289475.db2.gz CGVJBJAGEGJGBD-NSHDSACASA-N 1 1 249.310 1.538 40 0 BDABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2C)cc1 ZINC000072228293 259322873 /nfs/dbraw/zinc/32/28/73/259322873.db2.gz ROAVTEYLLCLWHX-MNOVXSKESA-N 1 1 204.273 1.089 40 0 BDABMO CCOCC[N@H+]1C[C@H](O)C[C@H]1C(C)C ZINC000242677080 259326190 /nfs/dbraw/zinc/32/61/90/259326190.db2.gz SYFIHBZJMLYIOZ-MNOVXSKESA-N 1 1 201.310 1.114 40 0 BDABMO C[C@H](O)CN1CCC[C@@H]([C@H]2CCC[N@@H+]2C)C1 ZINC000252486989 259326373 /nfs/dbraw/zinc/32/63/73/259326373.db2.gz QQVNFJUUBWYODO-YNEHKIRRSA-N 1 1 226.364 1.173 40 0 BDABMO C[C@H](O)CN1CCC[C@@H]([C@H]2CCC[N@H+]2C)C1 ZINC000252486989 259326374 /nfs/dbraw/zinc/32/63/74/259326374.db2.gz QQVNFJUUBWYODO-YNEHKIRRSA-N 1 1 226.364 1.173 40 0 BDABMO N[C@H](Cc1ccccc1)C[NH+]1CCCC1 ZINC000020071387 342968126 /nfs/dbraw/zinc/96/81/26/342968126.db2.gz YDLCAQYNXGDYTM-CYBMUJFWSA-N 1 1 204.317 1.652 40 0 BDABMO O=S1(=O)C[C@@]2([NH+]3CCCC3)CCCC[C@H]21 ZINC000031672282 343222667 /nfs/dbraw/zinc/22/26/67/343222667.db2.gz RLYYJMGLABZEAL-MNOVXSKESA-N 1 1 229.345 1.192 40 0 BDABMO CCN1CCC([NH2+]C[C@H](C)OC)CC1 ZINC000096528804 343758859 /nfs/dbraw/zinc/75/88/59/343758859.db2.gz OKUUTSABESCQFY-JTQLQIEISA-N 1 1 200.326 1.095 40 0 BDABMO CC(C)C[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339414486 343791450 /nfs/dbraw/zinc/79/14/50/343791450.db2.gz COSKYFFRQNIANL-GFCCVEGCSA-N 1 1 238.335 1.063 40 0 BDABMO COC[C@@H]1CCCCN1c1ccc(N)c[nH+]1 ZINC000396017105 343811123 /nfs/dbraw/zinc/81/11/23/343811123.db2.gz UIHZGSRHHJWVKQ-NSHDSACASA-N 1 1 221.304 1.669 40 0 BDABMO C[C@H](c1ccccn1)[N@H+]1CCCC[C@H]1CO ZINC000101682257 344424304 /nfs/dbraw/zinc/42/43/04/344424304.db2.gz TZMPUWQLONXYTH-NEPJUHHUSA-N 1 1 220.316 1.989 40 0 BDABMO Cc1ccc(C[NH2+][C@H]2C=CS(=O)(=O)C2)cc1 ZINC000082343766 344799681 /nfs/dbraw/zinc/79/96/81/344799681.db2.gz KNFUDSASHKSZAO-LBPRGKRZSA-N 1 1 237.324 1.395 40 0 BDABMO O=C1CCC[C@H]2[C@@H]3C[C@H](CN12)[C@H]1CCCC[N@H+]1C3 ZINC000005382580 346262984 /nfs/dbraw/zinc/26/29/84/346262984.db2.gz JYIJIIVLEOETIQ-SYQHCUMBSA-N 1 1 248.370 1.872 40 0 biogenic BDABMO C[C@H]1C[C@H](C)C[NH+](C[C@H](O)CNC2CC2)C1 ZINC000036950434 347980165 /nfs/dbraw/zinc/98/01/65/347980165.db2.gz SRGZXIQVTVCGOL-GMXVVIOVSA-N 1 1 226.364 1.077 40 0 BDABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000205689772 348575964 /nfs/dbraw/zinc/57/59/64/348575964.db2.gz BZYJPJQGIZGTFJ-LLVKDONJSA-N 1 1 205.305 1.917 40 0 BDABMO COC(=O)CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022538776 350113324 /nfs/dbraw/zinc/11/33/24/350113324.db2.gz RWFHGQXTRZOVHY-PHIMTYICSA-N 1 1 213.321 1.918 40 0 BDABMO Cc1ccsc1C[NH2+]CCNC[C@@H](C)O ZINC000023254514 350200350 /nfs/dbraw/zinc/20/03/50/350200350.db2.gz KBMAJWIPXKQATR-SNVBAGLBSA-N 1 1 228.361 1.117 40 0 BDABMO Cc1nccn1[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000096510521 180272578 /nfs/dbraw/zinc/27/25/78/180272578.db2.gz LMWGTGDTFNJUHL-VXGBXAGGSA-N 1 1 221.304 1.227 40 0 BDABMO COC[C@H]1CCCCN1c1ccc(N)c[nH+]1 ZINC000396017102 350266633 /nfs/dbraw/zinc/26/66/33/350266633.db2.gz UIHZGSRHHJWVKQ-LLVKDONJSA-N 1 1 221.304 1.669 40 0 BDABMO COC(=O)[C@@H]([NH3+])CS[C@@H](C)c1ccccc1 ZINC000031961651 350403891 /nfs/dbraw/zinc/40/38/91/350403891.db2.gz DRAOUSWITXPINA-ONGXEEELSA-N 1 1 239.340 1.981 40 0 BDABMO CC(C)(C)[C@H](NO)[C@H](O)[NH+]1CCCCC1 ZINC000001704717 188100418 /nfs/dbraw/zinc/10/04/18/188100418.db2.gz UXUMECWATOLKFW-ZJUUUORDSA-N 1 1 216.325 1.184 40 0 BDABMO Cc1cccc(C)c1NC(=O)C[NH+](C)C ZINC000005782474 188103244 /nfs/dbraw/zinc/10/32/44/188103244.db2.gz OAEQFELYEXDQSI-UHFFFAOYSA-N 1 1 206.289 1.804 40 0 BDABMO CNc1nccnc1[C@H]1CCC[N@@H+](C)C1 ZINC000072381227 188132105 /nfs/dbraw/zinc/13/21/05/188132105.db2.gz QKQKYMXOHYITPZ-VIFPVBQESA-N 1 1 206.293 1.328 40 0 BDABMO CCN1CCN(c2ccc([C@@H](C)[NH3+])c(C)n2)CC1 ZINC000072224678 259532968 /nfs/dbraw/zinc/53/29/68/259532968.db2.gz JWQJJTSCTPFFPZ-LLVKDONJSA-N 1 1 248.374 1.552 40 0 BDABMO CCNC(=O)c1cncc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000205679557 368356656 /nfs/dbraw/zinc/35/66/56/368356656.db2.gz WQXGQMANOFWZRY-JTQLQIEISA-N 1 1 248.330 1.036 40 0 BDABMO C[N@H+]1CC[C@H](c2n[nH]cc2-c2ccnc(N)c2)C1 ZINC000205677841 368357187 /nfs/dbraw/zinc/35/71/87/368357187.db2.gz KVXWJNJPCRJQMX-JTQLQIEISA-N 1 1 243.314 1.473 40 0 BDABMO CC(C)(C)CC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932820 371555438 /nfs/dbraw/zinc/55/54/38/371555438.db2.gz FGEUUJJXRYGHFB-NSHDSACASA-N 1 1 224.348 1.729 40 0 BDABMO OCC[N@H+]1CCC[C@H](c2ccccn2)C1 ZINC000072381324 183074339 /nfs/dbraw/zinc/07/43/39/183074339.db2.gz BTTSYNKLEYNRJC-NSHDSACASA-N 1 1 206.289 1.253 40 0 BDABMO OCCOC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079390537 183087054 /nfs/dbraw/zinc/08/70/54/183087054.db2.gz XQOARWVJYUQOOB-CQSZACIVSA-N 1 1 235.327 1.517 40 0 BDABMO CCCC[C@H](C[NH+]1CCOCC1)OCC ZINC000019202464 169003589 /nfs/dbraw/zinc/00/35/89/169003589.db2.gz KIQIWKRPGWOZPT-GFCCVEGCSA-N 1 1 215.337 1.914 40 0 BDABMO O[C@H]1CC[N@@H+](CC2CC2)C[C@@]12CCCO2 ZINC000257199893 183237632 /nfs/dbraw/zinc/23/76/32/183237632.db2.gz ABECDFZSXOSTFK-RYUDHWBXSA-N 1 1 211.305 1.012 40 0 BDABMO c1c(C2CC[NH2+]CC2)n[nH]c1-c1ccncc1 ZINC000019405490 183329817 /nfs/dbraw/zinc/32/98/17/183329817.db2.gz VXNHTGWDWVCFSI-UHFFFAOYSA-N 1 1 228.299 1.939 40 0 in-vitro BDABMO Cc1cc(NCC[NH3+])nc(N2CCCCC2)n1 ZINC000008731106 383929825 /nfs/dbraw/zinc/92/98/25/383929825.db2.gz HIBAASODDALHID-UHFFFAOYSA-N 1 1 235.335 1.146 40 0 BDABMO CO[C@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000002031767 383946180 /nfs/dbraw/zinc/94/61/80/383946180.db2.gz CHUOBFXMRRDKOO-RXMQYKEDSA-N 1 1 220.527 1.933 40 0 BDABMO Cc1cc(C(=O)N2CC[NH+](C)CC2)c(C)n1C ZINC000074701815 384035865 /nfs/dbraw/zinc/03/58/65/384035865.db2.gz HFKMWNHNQUKLEC-UHFFFAOYSA-N 1 1 235.331 1.030 40 0 BDABMO CCCNC(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000078429227 384069279 /nfs/dbraw/zinc/06/92/79/384069279.db2.gz CPDMOTOLGCJSQC-LBPRGKRZSA-N 1 1 241.379 1.818 40 0 BDABMO CC(C)[N@@H+](C)C[C@@H]1CCCN(CCO)C1 ZINC000079418506 384144327 /nfs/dbraw/zinc/14/43/27/384144327.db2.gz MQMHXTWQPOGGQF-LBPRGKRZSA-N 1 1 214.353 1.031 40 0 BDABMO COc1ccc2c3nc[nH+]c(NN)c3n(C)c2c1 ZINC000408712495 384179752 /nfs/dbraw/zinc/17/97/52/384179752.db2.gz VNFSIJBWVGLFDH-UHFFFAOYSA-N 1 1 243.270 1.416 40 0 BDABMO CN1C(=O)[C@@H]([NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000072228279 384202895 /nfs/dbraw/zinc/20/28/95/384202895.db2.gz QDRNLGISBRNDKC-IUCAKERBSA-N 1 1 210.664 1.180 40 0 BDABMO Cc1cc(C)nc(C[C@H]2CCC[N@H+](C)C2)n1 ZINC000072381303 384217970 /nfs/dbraw/zinc/21/79/70/384217970.db2.gz CBMGIPQTPRHSQA-GFCCVEGCSA-N 1 1 219.332 1.978 40 0 BDABMO CCC1=N[C@@]2(CC[C@@H]3C[N@@H+](C)C[C@@H]32)C(=O)N1CC ZINC000096261618 384444926 /nfs/dbraw/zinc/44/49/26/384444926.db2.gz MINNCOIVFGSZDV-UHIISALHSA-N 1 1 249.358 1.367 40 0 BDABMO CC(C)C(=O)N1CC(c2[nH+]cn3ccccc23)C1 ZINC000096260728 384447130 /nfs/dbraw/zinc/44/71/30/384447130.db2.gz BGQCPARDCOREQG-UHFFFAOYSA-N 1 1 243.310 1.916 40 0 BDABMO COCc1cnc2n1CC[N@H+](C1CCC1)[C@@H]2C ZINC000096109594 384433285 /nfs/dbraw/zinc/43/32/85/384433285.db2.gz KNYQGZYMUDPVQT-SNVBAGLBSA-N 1 1 235.331 1.959 40 0 BDABMO COCc1cnc2n1CC[N@@H+](C1CCC1)[C@@H]2C ZINC000096109594 384433288 /nfs/dbraw/zinc/43/32/88/384433288.db2.gz KNYQGZYMUDPVQT-SNVBAGLBSA-N 1 1 235.331 1.959 40 0 BDABMO C[N@H+]1CCCCC12CCN(c1ncccn1)CC2 ZINC000096217546 384442093 /nfs/dbraw/zinc/44/20/93/384442093.db2.gz BYJLKOQTGKBQJQ-UHFFFAOYSA-N 1 1 246.358 1.931 40 0 BDABMO CN(C)Cc1cncc2c1CC[N@H+](CC1CC1)C2 ZINC000096189458 384442366 /nfs/dbraw/zinc/44/23/66/384442366.db2.gz CIERSNOSWHSCGP-UHFFFAOYSA-N 1 1 245.370 1.911 40 0 BDABMO CN(C)Cc1cncc2c1CC[N@@H+](CC1CC1)C2 ZINC000096189458 384442375 /nfs/dbraw/zinc/44/23/75/384442375.db2.gz CIERSNOSWHSCGP-UHFFFAOYSA-N 1 1 245.370 1.911 40 0 BDABMO CC(C)[N@H+]1CCCC[C@H]1c1cc(CO)n[nH]1 ZINC000019695398 384535857 /nfs/dbraw/zinc/53/58/57/384535857.db2.gz KYQGWBLFAODZNN-LBPRGKRZSA-N 1 1 223.320 1.837 40 0 BDABMO [NH3+][C@@]1(c2ccccc2Cl)CCC[C@H](O)C1=O ZINC000082305400 384662536 /nfs/dbraw/zinc/66/25/36/384662536.db2.gz CFBVGSWSOJBYGC-CMPLNLGQSA-N 1 1 239.702 1.608 40 0 BDABMO CCN1CCN(c2cc(C)c([C@@H](C)[NH3+])cn2)CC1 ZINC000072223633 385115074 /nfs/dbraw/zinc/11/50/74/385115074.db2.gz CBXRLLYUAAFEFE-GFCCVEGCSA-N 1 1 248.374 1.552 40 0 BDABMO Cc1[nH+]c(N2CCCCC2)ccc1CO ZINC000072224537 385119335 /nfs/dbraw/zinc/11/93/35/385119335.db2.gz VQHWLHODSCGSJI-UHFFFAOYSA-N 1 1 206.289 1.873 40 0 BDABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccco1 ZINC000072228135 385129104 /nfs/dbraw/zinc/12/91/04/385129104.db2.gz ZITVDBMCNCLZAD-STQMWFEESA-N 1 1 242.278 1.690 40 0 BDABMO Cc1cc([C@H]2CCCCN2C=O)c[nH+]c1N ZINC000072218473 385099962 /nfs/dbraw/zinc/09/99/62/385099962.db2.gz XVKOWDRTWBTDGV-LLVKDONJSA-N 1 1 219.288 1.656 40 0 BDABMO CC(C)[C@@H]([NH3+])CCN1CCSCC1 ZINC000096523813 385268022 /nfs/dbraw/zinc/26/80/22/385268022.db2.gz DXIGWFIQTGTOTQ-JTQLQIEISA-N 1 1 202.367 1.409 40 0 BDABMO [NH3+]C[C@@H]1CCCCN1Cc1n[nH]c2c1CCCC2 ZINC000096523573 385269619 /nfs/dbraw/zinc/26/96/19/385269619.db2.gz UYYMKOQPOXCKJZ-NSHDSACASA-N 1 1 248.374 1.602 40 0 BDABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2CC)cc1 ZINC000096526064 385277851 /nfs/dbraw/zinc/27/78/51/385277851.db2.gz YRKHJPRRLUVKIE-VXGBXAGGSA-N 1 1 218.300 1.480 40 0 BDABMO CN(C)C(=O)[C@@H]1CCCCN1c1[nH+]cccc1N ZINC000095097834 385451876 /nfs/dbraw/zinc/45/18/76/385451876.db2.gz IJWPMRZYQAMKAZ-NSHDSACASA-N 1 1 248.330 1.111 40 0 BDABMO CCC[NH+](CCC)C[C@@H](O)CNC1CC1 ZINC000036950390 385591437 /nfs/dbraw/zinc/59/14/37/385591437.db2.gz GTJCMTPGSORVRS-LBPRGKRZSA-N 1 1 214.353 1.221 40 0 BDABMO Cc1nc([C@]2(C)CCC[N@H+](C)C2)cc(=O)[nH]1 ZINC000257203333 385753868 /nfs/dbraw/zinc/75/38/68/385753868.db2.gz APOSKJNSEVWAAJ-GFCCVEGCSA-N 1 1 221.304 1.474 40 0 BDABMO CCOCC[N@H+]1CC[C@@H](c2n[nH]cc2C)C1 ZINC000257237446 385755914 /nfs/dbraw/zinc/75/59/14/385755914.db2.gz HGMPXACIERJKDQ-LLVKDONJSA-N 1 1 223.320 1.544 40 0 BDABMO Cc1c[nH]c([C@@H]2CCN(c3ncccn3)C2)[nH+]1 ZINC000257322077 385763535 /nfs/dbraw/zinc/76/35/35/385763535.db2.gz WEMPQGXGZMXSQN-SNVBAGLBSA-N 1 1 229.287 1.502 40 0 BDABMO [NH3+]CCSc1nc(-c2ccc(F)cc2)n[nH]1 ZINC000224979192 386159143 /nfs/dbraw/zinc/15/91/43/386159143.db2.gz UFSVILNROTVHKL-UHFFFAOYSA-N 1 1 238.291 1.662 40 0 BDABMO C[NH+]1CC2(C1)OCC[C@H]2COCc1cccnc1 ZINC000248023413 386739650 /nfs/dbraw/zinc/73/96/50/386739650.db2.gz KEGXYJVWVFRZFZ-ZDUSSCGKSA-N 1 1 248.326 1.319 40 0 BDABMO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000248156219 386747299 /nfs/dbraw/zinc/74/72/99/386747299.db2.gz ZEFJJZJDPDVJSI-BPLDGKMQSA-N 1 1 245.370 1.902 40 0 BDABMO CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2)C1 ZINC000575447511 387672417 /nfs/dbraw/zinc/67/24/17/387672417.db2.gz BHOQHYOAFUMULA-KBPBESRZSA-N 1 1 216.328 1.823 40 0 BDABMO C[N@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC000575447511 387672419 /nfs/dbraw/zinc/67/24/19/387672419.db2.gz BHOQHYOAFUMULA-KBPBESRZSA-N 1 1 216.328 1.823 40 0 BDABMO C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccccc2)C1 ZINC000575447511 387672423 /nfs/dbraw/zinc/67/24/23/387672423.db2.gz BHOQHYOAFUMULA-KBPBESRZSA-N 1 1 216.328 1.823 40 0 BDABMO CCNc1ncc(C[NH2+]Cc2ccco2)cn1 ZINC000062717555 388656142 /nfs/dbraw/zinc/65/61/42/388656142.db2.gz DTXCOGWDGNZZML-UHFFFAOYSA-N 1 1 232.287 1.791 40 0 BDABMO CC(C)CCN1C[C@@H]2C[NH2+][C@@H](C)[C@@H](C2)C1 ZINC000095093778 388760419 /nfs/dbraw/zinc/76/04/19/388760419.db2.gz ASNWQCZZCXAZLN-AVGNSLFASA-N 1 1 210.365 1.962 40 0 BDABMO C[C@H]1C[C@H](C)C[NH+](c2ccc(N)cc2C(N)=O)C1 ZINC000041081956 132223907 /nfs/dbraw/zinc/22/39/07/132223907.db2.gz RCVZSTNIJNZFQK-UWVGGRQHSA-N 1 1 247.342 1.850 40 0 BDABMO CC1=N[C@@]2(CC[C@@H]3C[N@H+](CC(C)C)C[C@@H]32)C(=O)N1 ZINC000096261394 168138076 /nfs/dbraw/zinc/13/80/76/168138076.db2.gz BGWLEACLMTUZDC-MBNYWOFBSA-N 1 1 249.358 1.271 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1ccccc1F ZINC000096526055 169949023 /nfs/dbraw/zinc/94/90/23/169949023.db2.gz YWGPLMYVTSKHSR-NXEZZACHSA-N 1 1 208.236 1.056 40 0 BDABMO CCOC(=O)[C@H]([NH3+])CSC(F)(F)F ZINC000213345098 170275293 /nfs/dbraw/zinc/27/52/93/170275293.db2.gz QHDPLYFRQAYGJP-SCSAIBSYSA-N 1 1 217.212 1.130 40 0 BDABMO CCOC(=O)[C@H]([NH3+])Cc1c[nH]c2ccc(C)cc12 ZINC000044356383 170275322 /nfs/dbraw/zinc/27/53/22/170275322.db2.gz SOMAQFYYTFKAHV-GFCCVEGCSA-N 1 1 246.310 1.909 40 0 BDABMO C[N@H+]1CCC[C@@H](c2cnc(-n3ccnc3)cn2)C1 ZINC000072386558 173022487 /nfs/dbraw/zinc/02/24/87/173022487.db2.gz ANZSZKZBXQVQEG-LLVKDONJSA-N 1 1 243.314 1.472 40 0 BDABMO Cn1nccc1-c1cnc([C@H]2CCC[N@H+]2C)cn1 ZINC000257240667 173035321 /nfs/dbraw/zinc/03/53/21/173035321.db2.gz HUOYWDDKHXRFLB-GFCCVEGCSA-N 1 1 243.314 1.644 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000067285206 173037936 /nfs/dbraw/zinc/03/79/36/173037936.db2.gz RBKLATRCGUJVST-NSHDSACASA-N 1 1 224.348 1.777 40 0 BDABMO C[N@H+]1CCC[C@H](CO)[C@@H]1c1cccnc1 ZINC000096515816 173042156 /nfs/dbraw/zinc/04/21/56/173042156.db2.gz PEGYGTJMLPKERQ-NEPJUHHUSA-N 1 1 206.289 1.457 40 0 BDABMO C[N@H+]1CC[C@H](c2cc3cccnc3[nH]2)C1 ZINC000072187536 173155761 /nfs/dbraw/zinc/15/57/61/173155761.db2.gz RBQVWLHHSWOAKU-JTQLQIEISA-N 1 1 201.273 1.934 40 0 BDABMO CNc1cc(-c2ccccc2)[nH+]c(NC)n1 ZINC000329045588 173207797 /nfs/dbraw/zinc/20/77/97/173207797.db2.gz TXBWDMFCEGZZGF-UHFFFAOYSA-N 1 1 214.272 1.071 40 0 BDABMO CNC(=O)C[N@@H+]1CCC[C@H]1c1ccnc(NC)c1 ZINC000257221052 173273574 /nfs/dbraw/zinc/27/35/74/173273574.db2.gz DNHRHCZRUSNEPU-NSHDSACASA-N 1 1 248.330 1.006 40 0 BDABMO CNC(=O)C[N@H+]1CCC[C@H]1c1ccnc(NC)c1 ZINC000257221052 173273575 /nfs/dbraw/zinc/27/35/75/173273575.db2.gz DNHRHCZRUSNEPU-NSHDSACASA-N 1 1 248.330 1.006 40 0 BDABMO COCCCn1c[nH+]c2cc(N)ccc21 ZINC000052852422 174267393 /nfs/dbraw/zinc/26/73/93/174267393.db2.gz SNTAGBWIRVPAGE-UHFFFAOYSA-N 1 1 205.261 1.655 40 0 BDABMO COCCN(C)c1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000072386847 174283499 /nfs/dbraw/zinc/28/34/99/174283499.db2.gz IYSOYMWKCZAVGX-ZDUSSCGKSA-N 1 1 249.358 1.931 40 0 BDABMO COc1ccc(CC[NH2+][C@H]2CCC[C@@H]2N)cc1 ZINC000218873219 175092886 /nfs/dbraw/zinc/09/28/86/175092886.db2.gz DBCVSLJONOHOAC-KBPBESRZSA-N 1 1 234.343 1.707 40 0 BDABMO COc1cccc([C@@H]([NH3+])c2ncccn2)c1 ZINC000037467208 175289180 /nfs/dbraw/zinc/28/91/80/175289180.db2.gz WIHBQXORYKGIRT-LLVKDONJSA-N 1 1 215.256 1.533 40 0 BDABMO C[C@@H](Cc1ccccc1)NC1=[NH+]CCO1 ZINC000005022117 175773407 /nfs/dbraw/zinc/77/34/07/175773407.db2.gz NCVYXOYOFVEKCJ-JTQLQIEISA-N 1 1 204.273 1.593 40 0 BDABMO C[C@@H]1CCC[N@@H+](CCCNC(=O)C2CC2)C1 ZINC000046959888 176097844 /nfs/dbraw/zinc/09/78/44/176097844.db2.gz QSVFFOOYCNDUJD-LLVKDONJSA-N 1 1 224.348 1.635 40 0 BDABMO C[C@@H]1CNCC[N@@H+]1CCCc1ccccc1 ZINC000041232108 176326803 /nfs/dbraw/zinc/32/68/03/176326803.db2.gz PLDXPZMYCKMIKL-CYBMUJFWSA-N 1 1 218.344 1.913 40 0 BDABMO C[C@@H]1CNCC[N@H+]1CCCc1ccccc1 ZINC000041232108 176326805 /nfs/dbraw/zinc/32/68/05/176326805.db2.gz PLDXPZMYCKMIKL-CYBMUJFWSA-N 1 1 218.344 1.913 40 0 BDABMO C[C@H](c1cnccn1)[N@H+]1CCC[C@H](CO)C1 ZINC000072202899 177051563 /nfs/dbraw/zinc/05/15/63/177051563.db2.gz ZXTPHABXDVSFCI-MNOVXSKESA-N 1 1 221.304 1.242 40 0 BDABMO C[C@H]1CC(C)(C)N[C@H]([C@@H]2CCC=CO2)[NH2+]1 ZINC000019325703 177064137 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538754920 /nfs/dbraw/zinc/75/49/20/538754920.db2.gz QMSBJDKRCKCHIB-UHTWSYAYSA-N 1 1 226.364 1.362 40 0 BDABMO [NH3+][C@@H](c1nnc(C2CC2)[nH]1)c1ccccc1 ZINC000041058753 358730475 /nfs/dbraw/zinc/73/04/75/358730475.db2.gz FERFRUNSZLTPKH-SNVBAGLBSA-N 1 1 214.272 1.730 40 0 BDABMO CCNc1ncc(C[NH2+]Cc2ccccn2)cn1 ZINC000062717563 259521972 /nfs/dbraw/zinc/52/19/72/259521972.db2.gz NBHKGXZVARCGTC-UHFFFAOYSA-N 1 1 243.314 1.593 40 0 BDABMO C[N@@H+]1CCCC[C@@H]1c1cc(CCO)on1 ZINC000205700808 368360154 /nfs/dbraw/zinc/36/01/54/368360154.db2.gz UUFVWHXHXXYOIA-LLVKDONJSA-N 1 1 210.277 1.366 40 0 BDABMO C[N@H+]1CCCC[C@@H]1c1cc(CCO)on1 ZINC000205700808 368360159 /nfs/dbraw/zinc/36/01/59/368360159.db2.gz UUFVWHXHXXYOIA-LLVKDONJSA-N 1 1 210.277 1.366 40 0 BDABMO [NH3+][C@@H]1C(=O)N(C2CC2)[C@@H]1c1ccc(F)cc1 ZINC000256052233 370635874 /nfs/dbraw/zinc/63/58/74/370635874.db2.gz MMESDOYNVGBLPW-WDEREUQCSA-N 1 1 220.247 1.199 40 0 BDABMO C[N@@H+]1C[C@@H](c2ccc3c(c2)OCO3)[C@H](CO)C1 ZINC000217674065 371997144 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/nfs/dbraw/zinc/27/52/53/385275253.db2.gz XHELDRBUPLVQIX-KWQFWETISA-N 1 1 245.319 1.649 40 0 BDABMO CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CO1 ZINC000095097821 385454495 /nfs/dbraw/zinc/45/44/95/385454495.db2.gz SESQQHGOEZIHFX-VXGBXAGGSA-N 1 1 240.347 1.108 40 0 BDABMO COc1ccc([C@@]23CCC(=O)N2CC[NH2+]3)cc1 ZINC000020503094 385514076 /nfs/dbraw/zinc/51/40/76/385514076.db2.gz DMHFLDYXTHEEOA-CYBMUJFWSA-N 1 1 232.283 1.074 40 0 BDABMO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)CNC2CC2)C1 ZINC000036950433 385591532 /nfs/dbraw/zinc/59/15/32/385591532.db2.gz SRGZXIQVTVCGOL-NTZNESFSSA-N 1 1 226.364 1.077 40 0 BDABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)CNC2CC2)C1 ZINC000036950433 385591536 /nfs/dbraw/zinc/59/15/36/385591536.db2.gz SRGZXIQVTVCGOL-NTZNESFSSA-N 1 1 226.364 1.077 40 0 BDABMO C[C@]12CC[N@@H+](C3CCCC3)[C@H]1CCC(=O)N2 ZINC000257274373 385759098 /nfs/dbraw/zinc/75/90/98/385759098.db2.gz NKTVMKHVWXGJDU-AAEUAGOBSA-N 1 1 222.332 1.672 40 0 BDABMO CN1CCC([N@H+]2CCC[C@@H]2c2cnccn2)CC1 ZINC000257317690 385765021 /nfs/dbraw/zinc/76/50/21/385765021.db2.gz VKUNSVPFKSWEQH-CQSZACIVSA-N 1 1 246.358 1.708 40 0 BDABMO C[NH+]1CCC(N2CCC[C@@H]2c2cnccn2)CC1 ZINC000257317690 385765027 /nfs/dbraw/zinc/76/50/27/385765027.db2.gz VKUNSVPFKSWEQH-CQSZACIVSA-N 1 1 246.358 1.708 40 0 BDABMO [NH3+]Cc1nc(C2CCC(F)(F)CC2)no1 ZINC000328579486 386528644 /nfs/dbraw/zinc/52/86/44/386528644.db2.gz KRZCYVQGPRODSO-UHFFFAOYSA-N 1 1 217.219 1.821 40 0 BDABMO COC[C@H]1C[N@H+](C2CCCC2)Cc2c1cnn2C ZINC000248005960 386741445 /nfs/dbraw/zinc/74/14/45/386741445.db2.gz CAADBDANYAYVHZ-LLVKDONJSA-N 1 1 249.358 1.908 40 0 BDABMO CC(C)Cn1cc(CNCC[NH+](C)C)cn1 ZINC000256053147 387860518 /nfs/dbraw/zinc/86/05/18/387860518.db2.gz QFNSCANVVGQOOZ-UHFFFAOYSA-N 1 1 224.352 1.190 40 0 BDABMO CCCn1cc(CNCC[NH+](C)C)c(C)n1 ZINC000256054713 387863450 /nfs/dbraw/zinc/86/34/50/387863450.db2.gz XLXPVJDQIPOWLF-UHFFFAOYSA-N 1 1 224.352 1.253 40 0 BDABMO CN1CCC[C@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242750665 388400884 /nfs/dbraw/zinc/40/08/84/388400884.db2.gz ZVFZUUAVIAYGQA-SCZZXKLOSA-N 1 1 220.320 1.513 40 0 BDABMO CC(C)c1n[nH]c(CC[NH+]2CCCC2)n1 ZINC000062719452 388656433 /nfs/dbraw/zinc/65/64/33/388656433.db2.gz ORNSDRSBCDEZHI-UHFFFAOYSA-N 1 1 208.309 1.566 40 0 BDABMO C[C@@H]1C[N@@H+](CCO)CCN1c1ccccc1 ZINC000031938337 132334592 /nfs/dbraw/zinc/33/45/92/132334592.db2.gz XUUWFNWHQSONHA-GFCCVEGCSA-N 1 1 220.316 1.189 40 0 in-vitro BDABMO CCCn1nc(C)cc1C[NH2+]Cc1cnn(C)c1 ZINC000256049599 398040745 /nfs/dbraw/zinc/04/07/45/398040745.db2.gz APLJTMPQWVEBNU-UHFFFAOYSA-N 1 1 247.346 1.625 40 0 BDABMO Brc1c[nH+]c2n1CCCN2 ZINC000084232845 166104552 /nfs/dbraw/zinc/10/45/52/166104552.db2.gz VRZJIHMZIRCEAQ-UHFFFAOYSA-N 1 1 202.055 1.461 40 0 BDABMO CC(C)[N@H+]1C[C@@H]2Cc3nc(N(C)C)ncc3[C@H]2C1 ZINC000306125606 167031884 /nfs/dbraw/zinc/03/18/84/167031884.db2.gz CVLLHMFDFRGLRS-JQWIXIFHSA-N 1 1 246.358 1.523 40 0 BDABMO CC1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000058405669 168176759 /nfs/dbraw/zinc/17/67/59/168176759.db2.gz RKFJLKUHQKPBKA-LBPRGKRZSA-N 1 1 224.348 1.587 40 0 BDABMO CCC(=O)N1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000062108902 168220326 /nfs/dbraw/zinc/22/03/26/168220326.db2.gz PIJOXSFCKJZYSO-CYBMUJFWSA-N 1 1 232.327 1.912 40 0 BDABMO CCC(=O)N1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000062108902 168220328 /nfs/dbraw/zinc/22/03/28/168220328.db2.gz PIJOXSFCKJZYSO-CYBMUJFWSA-N 1 1 232.327 1.912 40 0 BDABMO CC[N@H+]1CCc2cc3c(cc2C1)OCO3 ZINC000001703995 170024894 /nfs/dbraw/zinc/02/48/94/170024894.db2.gz RSIQYFKRVPDZOJ-UHFFFAOYSA-N 1 1 205.257 1.793 40 0 BDABMO CCOC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccc(C)cc12 ZINC000044356386 170253791 /nfs/dbraw/zinc/25/37/91/170253791.db2.gz SOMAQFYYTFKAHV-LBPRGKRZSA-N 1 1 246.310 1.909 40 0 BDABMO CCn1nc(C)c(C[NH2+]CCN(C)C)c1F ZINC000256054936 172244913 /nfs/dbraw/zinc/24/49/13/172244913.db2.gz YKTTWBMKJKDOTG-UHFFFAOYSA-N 1 1 228.315 1.002 40 0 BDABMO CCn1ncc(C)c1C[NH2+]Cc1ccnn1C ZINC000256054353 172254509 /nfs/dbraw/zinc/25/45/09/172254509.db2.gz VZARQXGIQTTXHS-UHFFFAOYSA-N 1 1 233.319 1.235 40 0 BDABMO CCn1nccc1C[NH2+]Cc1c(C)cnn1CC ZINC000256052417 172271343 /nfs/dbraw/zinc/27/13/43/172271343.db2.gz NEVQFNNRMXDEJG-UHFFFAOYSA-N 1 1 247.346 1.718 40 0 BDABMO Cn1nc([C@@H]2CCCC[N@@H+]2C)cc1CCO ZINC000072382176 173009365 /nfs/dbraw/zinc/00/93/65/173009365.db2.gz WJEMDSULNSQOON-LBPRGKRZSA-N 1 1 223.320 1.112 40 0 BDABMO Cn1nc([C@@H]2CCCC[N@H+]2C)cc1CCO ZINC000072382176 173009366 /nfs/dbraw/zinc/00/93/66/173009366.db2.gz WJEMDSULNSQOON-LBPRGKRZSA-N 1 1 223.320 1.112 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000003599501 173039070 /nfs/dbraw/zinc/03/90/70/173039070.db2.gz LJZSMGYSNXRFQB-NSHDSACASA-N 1 1 210.321 1.341 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)NCc2ccccn2)C1 ZINC000082308277 173039719 /nfs/dbraw/zinc/03/97/19/173039719.db2.gz IZSRBHYFXFOCTB-NSHDSACASA-N 1 1 233.315 1.040 40 0 BDABMO C[N@H+]1CCC[C@H]1c1ccnc2nccn21 ZINC000257325993 173059299 /nfs/dbraw/zinc/05/92/99/173059299.db2.gz WVHZAVDZASMQMQ-VIFPVBQESA-N 1 1 202.261 1.496 40 0 BDABMO C[NH+]1CCN(Cc2ccccc2C=O)CC1 ZINC000075844168 173086995 /nfs/dbraw/zinc/08/69/95/173086995.db2.gz LMERFIDNODZXKP-UHFFFAOYSA-N 1 1 218.300 1.247 40 0 BDABMO C[N@H+]1CC[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC000096081392 173160736 /nfs/dbraw/zinc/16/07/36/173160736.db2.gz AKZPEWWJVXMIPN-WDEREUQCSA-N 1 1 234.299 1.303 40 0 BDABMO CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217663629 173195876 /nfs/dbraw/zinc/19/58/76/173195876.db2.gz DANXGDIJIYQMCE-OLZOCXBDSA-N 1 1 247.342 1.002 40 0 BDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(n1cc(N)cn1)C2 ZINC000096530078 173205997 /nfs/dbraw/zinc/20/59/97/173205997.db2.gz OUIKAOYFYCUBTM-ZACCUICWSA-N 1 1 206.293 1.263 40 0 BDABMO COCC[N@H+]1CC[C@H](c2ccnc(C)n2)C1 ZINC000072381565 174316454 /nfs/dbraw/zinc/31/64/54/174316454.db2.gz SXCZHZHWVFXRCT-NSHDSACASA-N 1 1 221.304 1.221 40 0 BDABMO COCC[NH2+][C@@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000057369646 174337750 /nfs/dbraw/zinc/33/77/50/174337750.db2.gz VHFIXBPJUUYVMZ-VIFPVBQESA-N 1 1 247.298 1.220 40 0 BDABMO COCC[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000247843009 174398992 /nfs/dbraw/zinc/39/89/92/174398992.db2.gz LLFQKDHPTJLROL-CYBMUJFWSA-N 1 1 235.331 1.829 40 0 BDABMO COc1ccc(-c2nnc(C[NH3+])o2)cc1 ZINC000011585632 175041220 /nfs/dbraw/zinc/04/12/20/175041220.db2.gz JPKDPDIFHQRFBH-UHFFFAOYSA-N 1 1 205.217 1.204 40 0 BDABMO COc1ccc2c(c1)[C@]1(CCO2)COCC[NH2+]1 ZINC000306145932 175217278 /nfs/dbraw/zinc/21/72/78/175217278.db2.gz WIEQZLLXOOUZEJ-ZDUSSCGKSA-N 1 1 235.283 1.293 40 0 BDABMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](CO)C1 ZINC000100191356 176027464 /nfs/dbraw/zinc/02/74/64/176027464.db2.gz CCCKFMGXAZWYAU-NWDGAFQWSA-N 1 1 220.316 1.847 40 0 BDABMO C[C@H]1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2O1 ZINC000096062528 177352574 /nfs/dbraw/zinc/35/25/74/177352574.db2.gz GFTHHEVXCDGDDA-WCFLWFBJSA-N 1 1 235.331 1.419 40 0 BDABMO OCCc1cc([C@H]2CC[N@@H+](CC3CC3)C2)[nH]n1 ZINC000072383320 527573631 /nfs/dbraw/zinc/57/36/31/527573631.db2.gz CJTJRNKWGCEBRH-NSHDSACASA-N 1 1 235.331 1.144 40 0 BDABMO OCCc1cc([C@H]2CC[N@H+](CC3CC3)C2)n[nH]1 ZINC000072383320 527573637 /nfs/dbraw/zinc/57/36/37/527573637.db2.gz CJTJRNKWGCEBRH-NSHDSACASA-N 1 1 235.331 1.144 40 0 BDABMO OCCc1cc([C@H]2CC[N@@H+](CC3CC3)C2)n[nH]1 ZINC000072383320 527573643 /nfs/dbraw/zinc/57/36/43/527573643.db2.gz CJTJRNKWGCEBRH-NSHDSACASA-N 1 1 235.331 1.144 40 0 BDABMO CC(C)C[N@H+]1CC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072361124 343980112 /nfs/dbraw/zinc/98/01/12/343980112.db2.gz OLZITVLWKIMNMW-JTQLQIEISA-N 1 1 245.330 1.798 40 0 BDABMO C[C@@](CO)(c1ccccc1)[NH+]1CCOCC1 ZINC000070453382 259313768 /nfs/dbraw/zinc/31/37/68/259313768.db2.gz CGCGCKPXVMVUFF-CYBMUJFWSA-N 1 1 221.300 1.226 40 0 BDABMO CN(C)c1ncccc1[C@H]1CCC[N@H+]1C ZINC000072212641 259317555 /nfs/dbraw/zinc/31/75/55/259317555.db2.gz FXBBKSOZPBZVQY-LLVKDONJSA-N 1 1 205.305 1.914 40 0 BDABMO COC[C@@H]1C[N@@H+](CC2CC2)Cc2ncn(C)c21 ZINC000096060198 398312618 /nfs/dbraw/zinc/31/26/18/398312618.db2.gz BNPNIFUGXLJJOS-NSHDSACASA-N 1 1 235.331 1.376 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1cccs1 ZINC000217670840 398322657 /nfs/dbraw/zinc/32/26/57/398322657.db2.gz NSVKEPSAPPWVRX-DTWKUNHWSA-N 1 1 225.313 1.566 40 0 BDABMO CCCC[C@@H](C[NH+]1CCOCC1)OCC ZINC000019202461 342943427 /nfs/dbraw/zinc/94/34/27/342943427.db2.gz KIQIWKRPGWOZPT-LBPRGKRZSA-N 1 1 215.337 1.914 40 0 BDABMO CCOc1ccccc1CNCC[NH+](C)C ZINC000022075425 343039429 /nfs/dbraw/zinc/03/94/29/343039429.db2.gz RQCVDJIMSMBDSQ-UHFFFAOYSA-N 1 1 222.332 1.737 40 0 BDABMO COC(=O)[C@@]12C[C@H]3CC[C@]1(C)[C@@]3(C)C[NH2+]2 ZINC000034802183 343278809 /nfs/dbraw/zinc/27/88/09/343278809.db2.gz NGOQSYCFYKWLPP-KLHWPWHYSA-N 1 1 209.289 1.328 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(C)cc1 ZINC000096525971 343760026 /nfs/dbraw/zinc/76/00/26/343760026.db2.gz DDMKFWWJCORITA-WDEREUQCSA-N 1 1 204.273 1.226 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000096526036 343760109 /nfs/dbraw/zinc/76/01/09/343760109.db2.gz NXIYHXGQDZAUOL-VHSXEESVSA-N 1 1 224.691 1.571 40 0 BDABMO C[N@H+]1C[C@@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC000585107650 344134710 /nfs/dbraw/zinc/13/47/10/344134710.db2.gz FVJUDDRDRDTKJG-WCQYABFASA-N 1 1 248.301 1.602 40 0 BDABMO C[N@H+]1C[C@H]2CCN(C(=O)c3cccc(F)c3)[C@@H]2C1 ZINC000585107649 344135091 /nfs/dbraw/zinc/13/50/91/344135091.db2.gz FVJUDDRDRDTKJG-DGCLKSJQSA-N 1 1 248.301 1.602 40 0 BDABMO CN1Cc2ccnn2[C@H](CC[NH+]2CCCC2)C1 ZINC000585112990 344137206 /nfs/dbraw/zinc/13/72/06/344137206.db2.gz ZOVOAWKHNZSQPQ-CYBMUJFWSA-N 1 1 234.347 1.356 40 0 BDABMO [NH3+][C@@H]1C(=O)N(C2CC2)[C@H]1c1ccccc1F ZINC000256054380 344146012 /nfs/dbraw/zinc/14/60/12/344146012.db2.gz WATCUMHQUXYMLA-QWRGUYRKSA-N 1 1 220.247 1.199 40 0 BDABMO [NH3+][C@@H]1C(=O)N(C2CC2)[C@@H]1c1ccccc1F ZINC000256054381 344146063 /nfs/dbraw/zinc/14/60/63/344146063.db2.gz WATCUMHQUXYMLA-WDEREUQCSA-N 1 1 220.247 1.199 40 0 BDABMO C[C@@H](CCN(C)C)[NH2+][C@H]1CCSC1 ZINC000049551865 344653001 /nfs/dbraw/zinc/65/30/01/344653001.db2.gz GSXFHLSOXLIOQA-UWVGGRQHSA-N 1 1 202.367 1.422 40 0 BDABMO CC(C)CN(C(C)C)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000300919541 537869199 /nfs/dbraw/zinc/86/91/99/537869199.db2.gz UBSCCVCQHXEPTB-OLZOCXBDSA-N 1 1 228.380 1.466 40 0 BDABMO CC(C)C[N@@H+](C(C)C)[C@@H]1CNCC[C@]1(C)O ZINC000300919541 537869197 /nfs/dbraw/zinc/86/91/97/537869197.db2.gz UBSCCVCQHXEPTB-OLZOCXBDSA-N 1 1 228.380 1.466 40 0 BDABMO COC(=O)[C@H]([NH3+])CS[C@@H](C)c1ccccc1 ZINC000031961654 350404251 /nfs/dbraw/zinc/40/42/51/350404251.db2.gz DRAOUSWITXPINA-GXSJLCMTSA-N 1 1 239.340 1.981 40 0 BDABMO Cc1nn(C[NH+](C)C)c2nc3ccccc3nc12 ZINC000016266448 180388905 /nfs/dbraw/zinc/38/89/05/180388905.db2.gz ZAURTHKAXPRTGX-UHFFFAOYSA-N 1 1 241.298 1.807 40 0 BDABMO CC(C)[N@@H+](CCO)[C@@H](C)c1cnccn1 ZINC000079422313 188118089 /nfs/dbraw/zinc/11/80/89/188118089.db2.gz OOSCOTNMXCVDNL-JTQLQIEISA-N 1 1 209.293 1.240 40 0 BDABMO C1C[NH2+]CCNCCSCCCSC1 ZINC000068604721 188129133 /nfs/dbraw/zinc/12/91/33/188129133.db2.gz OLBGAVSLCWFXMA-UHFFFAOYSA-N 1 1 234.434 1.426 40 0 BDABMO COc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1F ZINC000038538920 188178728 /nfs/dbraw/zinc/17/87/28/188178728.db2.gz LXOQGOMPHHZUHZ-SNVBAGLBSA-N 1 1 225.263 1.401 40 0 BDABMO NC(=O)[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000037460228 181265421 /nfs/dbraw/zinc/26/54/21/181265421.db2.gz LFFBTDXSWRJSRF-ZETCQYMHSA-N 1 1 218.178 1.191 40 0 BDABMO COC(=O)[C@@H]([NH3+])Cc1c(C)cc(O)cc1C ZINC000026895816 359590617 /nfs/dbraw/zinc/59/06/17/359590617.db2.gz LSDITFBEJIMPKY-NSHDSACASA-N 1 1 223.272 1.052 40 0 BDABMO NC1(c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000098213732 181333998 /nfs/dbraw/zinc/33/39/98/181333998.db2.gz DHUSTCBNCLAOJB-UHFFFAOYSA-N 1 1 210.708 1.877 40 0 BDABMO OCc1cc([C@@H]2CCC[N@H+]2C2CCCC2)[nH]n1 ZINC000205701553 368359795 /nfs/dbraw/zinc/35/97/95/368359795.db2.gz XKJJUHHISNMSDL-ZDUSSCGKSA-N 1 1 235.331 1.982 40 0 BDABMO OCCc1cc([C@@H]2CC[N@@H+](CC3CC3)C2)[nH]n1 ZINC000072383319 183100087 /nfs/dbraw/zinc/10/00/87/183100087.db2.gz CJTJRNKWGCEBRH-LLVKDONJSA-N 1 1 235.331 1.144 40 0 BDABMO OCCc1cc([C@@H]2CC[N@H+](CC3CC3)C2)n[nH]1 ZINC000072383319 183100088 /nfs/dbraw/zinc/10/00/88/183100088.db2.gz CJTJRNKWGCEBRH-LLVKDONJSA-N 1 1 235.331 1.144 40 0 BDABMO OCCc1cc([C@@H]2CC[N@@H+](CC3CC3)C2)n[nH]1 ZINC000072383319 183100089 /nfs/dbraw/zinc/10/00/89/183100089.db2.gz CJTJRNKWGCEBRH-LLVKDONJSA-N 1 1 235.331 1.144 40 0 BDABMO O[C@@H]1CC[N@@H+](CC2CC2)[C@H]1Cc1cccnc1 ZINC000096061608 183198613 /nfs/dbraw/zinc/19/86/13/183198613.db2.gz LHJPIKTVKVRODB-UONOGXRCSA-N 1 1 232.327 1.469 40 0 BDABMO CCC[N@H+]1CCc2[nH]c(=S)nc(C)c2C1 ZINC000049474127 169207925 /nfs/dbraw/zinc/20/79/25/169207925.db2.gz DFJOHMSLJNADRI-UHFFFAOYSA-N 1 1 223.345 1.842 40 0 BDABMO c1cc([C@@H]2CCC[N@H+]2C2CCOCC2)n[nH]1 ZINC000019695453 183361148 /nfs/dbraw/zinc/36/11/48/183361148.db2.gz NZTHGLCNTMPTCR-LBPRGKRZSA-N 1 1 221.304 1.726 40 0 BDABMO O=C1OCC[C@@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000004203334 384044712 /nfs/dbraw/zinc/04/47/12/384044712.db2.gz QPZOFKOCEPRLRF-CQSZACIVSA-N 1 1 231.295 1.826 40 0 BDABMO CN(C)[C@@H]1CCCC[C@H]1[N@H+](CCO)C1CC1 ZINC000079423138 384146727 /nfs/dbraw/zinc/14/67/27/384146727.db2.gz SQUWYBOMJCWVLV-CHWSQXEVSA-N 1 1 226.364 1.316 40 0 BDABMO CN(C)[C@@H]1CCCC[C@H]1[N@@H+](CCO)C1CC1 ZINC000079423138 384146728 /nfs/dbraw/zinc/14/67/28/384146728.db2.gz SQUWYBOMJCWVLV-CHWSQXEVSA-N 1 1 226.364 1.316 40 0 BDABMO COc1c(C)cc(-c2noc(C[NH3+])n2)cc1C ZINC000082343291 384198099 /nfs/dbraw/zinc/19/80/99/384198099.db2.gz CWQXRNYGQXPIRI-UHFFFAOYSA-N 1 1 233.271 1.821 40 0 BDABMO Cn1cnnc1[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000072361365 384212581 /nfs/dbraw/zinc/21/25/81/384212581.db2.gz DUQQRQIJDDEBFD-SNVBAGLBSA-N 1 1 206.293 1.014 40 0 BDABMO Nc1cc(N2CCC[C@H]2c2cnccn2)nc[nH+]1 ZINC000072357411 384215129 /nfs/dbraw/zinc/21/51/29/384215129.db2.gz HBDRSCDNYUOKNY-JTQLQIEISA-N 1 1 242.286 1.190 40 0 BDABMO Cc1cc(CCC(N)=O)cc([C@@H]2CCC[N@@H+]2C)n1 ZINC000072382828 384219285 /nfs/dbraw/zinc/21/92/85/384219285.db2.gz HTHFSNMDEZNMCC-ZDUSSCGKSA-N 1 1 247.342 1.575 40 0 BDABMO Cc1ccc(CC(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000074960071 384315600 /nfs/dbraw/zinc/31/56/00/384315600.db2.gz BXCIDXQRPHFKMG-UHFFFAOYSA-N 1 1 246.354 1.620 40 0 BDABMO Nc1ccc[nH+]c1N[C@H]1CC[C@H](O)CC1 ZINC000100810002 384345508 /nfs/dbraw/zinc/34/55/08/384345508.db2.gz JWSBSKBWIYGLQV-DTORHVGOSA-N 1 1 207.277 1.379 40 0 BDABMO Cc1ccc(C[N@H+]2CC[C@@H]3NC(=O)C[C@@H]32)s1 ZINC000096245726 384446640 /nfs/dbraw/zinc/44/66/40/384446640.db2.gz KRRHHNIMYDBJNW-QWRGUYRKSA-N 1 1 236.340 1.519 40 0 BDABMO CCOc1ncnc2c1CC[N@@H+](CC1CC1)CC2 ZINC000096058772 384432179 /nfs/dbraw/zinc/43/21/79/384432179.db2.gz MPEACDAZXSLTBN-UHFFFAOYSA-N 1 1 247.342 1.686 40 0 BDABMO COCc1cnc2n1CC[N@H+](C1CCC1)[C@H]2C ZINC000096109595 384434408 /nfs/dbraw/zinc/43/44/08/384434408.db2.gz KNYQGZYMUDPVQT-JTQLQIEISA-N 1 1 235.331 1.959 40 0 BDABMO COCc1cnc2n1CC[N@@H+](C1CCC1)[C@H]2C ZINC000096109595 384434413 /nfs/dbraw/zinc/43/44/13/384434413.db2.gz KNYQGZYMUDPVQT-JTQLQIEISA-N 1 1 235.331 1.959 40 0 BDABMO Cc1ccc(C[N@H+]2CC[C@H]3NC(=O)C[C@H]32)s1 ZINC000107251464 384958958 /nfs/dbraw/zinc/95/89/58/384958958.db2.gz KRRHHNIMYDBJNW-GHMZBOCLSA-N 1 1 236.340 1.519 40 0 BDABMO [NH3+][C@@H]1C[C@@]12CCCN(Cc1ccccc1)C2 ZINC000216407572 385056217 /nfs/dbraw/zinc/05/62/17/385056217.db2.gz HRHOQWHMSDKGIB-ZIAGYGMSSA-N 1 1 216.328 2.000 40 0 BDABMO CNC(=O)c1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072187745 385046368 /nfs/dbraw/zinc/04/63/68/385046368.db2.gz RGDHNTRZTSONRD-SNVBAGLBSA-N 1 1 233.315 1.250 40 0 BDABMO CCN1CCN(c2ccc([C@H](C)[NH3+])c(C)n2)CC1 ZINC000072224679 385117952 /nfs/dbraw/zinc/11/79/52/385117952.db2.gz JWQJJTSCTPFFPZ-NSHDSACASA-N 1 1 248.374 1.552 40 0 BDABMO CN1CCN(c2ccc([C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000072216504 385098752 /nfs/dbraw/zinc/09/87/52/385098752.db2.gz YEKUARFFSBBRJE-ZDUSSCGKSA-N 1 1 246.358 1.258 40 0 BDABMO Cc1cc([C@@H]2CCCN2C=O)c[nH+]c1N ZINC000072218427 385100798 /nfs/dbraw/zinc/10/07/98/385100798.db2.gz OYIYNRXXPZTWLE-JTQLQIEISA-N 1 1 205.261 1.266 40 0 BDABMO CCOC[C@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000253383493 385673361 /nfs/dbraw/zinc/67/33/61/385673361.db2.gz LTZFAAQYFIPZDS-CYBMUJFWSA-N 1 1 235.331 1.686 40 0 BDABMO Cn1ccc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000257286349 385760534 /nfs/dbraw/zinc/76/05/34/385760534.db2.gz PLFSUYSSXDAKNT-NSHDSACASA-N 1 1 245.330 1.523 40 0 BDABMO Cn1ccc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)n1 ZINC000257286349 385760541 /nfs/dbraw/zinc/76/05/41/385760541.db2.gz PLFSUYSSXDAKNT-NSHDSACASA-N 1 1 245.330 1.523 40 0 BDABMO CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000257303645 385760615 /nfs/dbraw/zinc/76/06/15/385760615.db2.gz SIAZKJVDSIKGPO-ZDUSSCGKSA-N 1 1 247.342 1.940 40 0 BDABMO CCOC(=O)[C@H]1C[C@@]2(C)C(=O)CCCC[C@H]2[NH2+]1 ZINC000212415230 385720971 /nfs/dbraw/zinc/72/09/71/385720971.db2.gz UDRXRHCGKHMGLZ-GIPNMCIBSA-N 1 1 239.315 1.429 40 0 BDABMO CCOC(=O)[C@@H]1C[C@H]2C(=O)CCCC[C@@H]2[NH2+]1 ZINC000212420009 385722893 /nfs/dbraw/zinc/72/28/93/385722893.db2.gz ZKQFKCSGDYCDAX-UTLUCORTSA-N 1 1 225.288 1.039 40 0 BDABMO CO[C@@H](c1noc(C[NH3+])n1)c1ccccc1 ZINC000072417711 386090698 /nfs/dbraw/zinc/09/06/98/386090698.db2.gz IJHPXROKYFAFAL-SNVBAGLBSA-N 1 1 219.244 1.264 40 0 BDABMO N[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1 ZINC000218870548 386351497 /nfs/dbraw/zinc/35/14/97/386351497.db2.gz PKAFNOZHKZAREC-STQMWFEESA-N 1 1 204.317 1.699 40 0 BDABMO CO[C@H]1Cn2nccc2C[N@@H+](CC2CCCC2)C1 ZINC000247904009 386734479 /nfs/dbraw/zinc/73/44/79/386734479.db2.gz WOHINVVYMXZEIL-CQSZACIVSA-N 1 1 249.358 1.904 40 0 BDABMO CCn1cc(-c2noc([C@@H](C)[NH3+])n2)c(C)n1 ZINC000575410791 387015042 /nfs/dbraw/zinc/01/50/42/387015042.db2.gz JEPCBMQLJYFUTQ-ZCFIWIBFSA-N 1 1 221.264 1.281 40 0 BDABMO C[NH2+]Cc1nc([C@H]2CCCSCC2)no1 ZINC000575415094 387022703 /nfs/dbraw/zinc/02/27/03/387022703.db2.gz PXRROLBUFLPUHR-QMMMGPOBSA-N 1 1 227.333 1.790 40 0 BDABMO CC[N@@H+](CC[C@@H]1CCOC1)CC(N)=O ZINC000331079260 387344484 /nfs/dbraw/zinc/34/44/84/387344484.db2.gz YARRYMTWQGOVSZ-SECBINFHSA-N 1 1 200.282 1.270 40 0 BDABMO CC[C@@H](CO)[NH2+][C@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000004129040 387562547 /nfs/dbraw/zinc/56/25/47/387562547.db2.gz DIQREXVGAWIWBR-BJDJZHNGSA-N 1 1 214.353 1.076 40 0 BDABMO Cn1nccc1C[NH2+]Cc1cccc(F)c1F ZINC000020349273 387849227 /nfs/dbraw/zinc/84/92/27/387849227.db2.gz IGQISLBBYBAKAL-UHFFFAOYSA-N 1 1 237.253 1.988 40 0 BDABMO Cn1cccc1C[NH2+]Cc1ccn(CCF)n1 ZINC000256050600 387858820 /nfs/dbraw/zinc/85/88/20/387858820.db2.gz FRPSVMSKCDLTFU-UHFFFAOYSA-N 1 1 236.294 1.481 40 0 BDABMO CCCn1cc(C[NH2+]Cc2ccnn2CC)cn1 ZINC000256055084 387862430 /nfs/dbraw/zinc/86/24/30/387862430.db2.gz ZBNFXWXFKWBVPA-UHFFFAOYSA-N 1 1 247.346 1.799 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccc(C)o1 ZINC000242548241 388399338 /nfs/dbraw/zinc/39/93/38/388399338.db2.gz LEWINZHAPWFTQH-NXEZZACHSA-N 1 1 223.272 1.406 40 0 BDABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000072227216 388615470 /nfs/dbraw/zinc/61/54/70/388615470.db2.gz ZQPGBXZKMDIHCU-VXGBXAGGSA-N 1 1 246.241 1.834 40 0 BDABMO CCOCC[N@H+]1C[C@@H](O)C[C@H]1CC(C)C ZINC000252514334 388653788 /nfs/dbraw/zinc/65/37/88/388653788.db2.gz CKPGDQNLDMXXFP-NEPJUHHUSA-N 1 1 215.337 1.504 40 0 BDABMO C[N@H+]1CCC[C@H]1c1ccc(N2CCOCC2)cn1 ZINC000072374369 132397126 /nfs/dbraw/zinc/39/71/26/132397126.db2.gz KUIQRYLONPCFSO-AWEZNQCLSA-N 1 1 247.342 1.685 40 0 BDABMO CCCCN1CC[NH+](CCCCC[NH3+])CC1 ZINC000037049292 397968665 /nfs/dbraw/zinc/96/86/65/397968665.db2.gz WATXRGZRDXVOFC-UHFFFAOYSA-N 1 1 227.396 1.533 40 0 BDABMO NC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000037424923 411164482 /nfs/dbraw/zinc/16/44/82/411164482.db2.gz JLMCDYSDCCEFAP-QMMMGPOBSA-N 1 1 205.088 1.952 40 0 BDABMO CCOC(=O)[C@@H]([NH3+])Cc1cn(C)c2ccccc12 ZINC000044339888 170254101 /nfs/dbraw/zinc/25/41/01/170254101.db2.gz VPDDSBCKUAFOIS-LBPRGKRZSA-N 1 1 246.310 1.611 40 0 BDABMO CCOCCC[NH2+][C@@H]1CCCC[C@H]1N ZINC000218855960 170382327 /nfs/dbraw/zinc/38/23/27/170382327.db2.gz MCYAFTKGZSEWLU-GHMZBOCLSA-N 1 1 200.326 1.273 40 0 BDABMO C[C@H]1CCCC[N@H+]1Cc1cc(N)nn1C ZINC000408717135 411926612 /nfs/dbraw/zinc/92/66/12/411926612.db2.gz WDCJVLGDBRASLM-VIFPVBQESA-N 1 1 208.309 1.377 40 0 BDABMO C[N@H+]1CCCC[C@H]1c1cc(CCO)n[nH]1 ZINC000072381204 173009758 /nfs/dbraw/zinc/00/97/58/173009758.db2.gz XXOGHBRGSCXZLC-NSHDSACASA-N 1 1 209.293 1.101 40 0 BDABMO CN1CCC[N@@H+](C[C@@H]2Cc3ccccc3N2)CC1 ZINC000096524009 173018243 /nfs/dbraw/zinc/01/82/43/173018243.db2.gz CQTKEIKVJHTPFH-AWEZNQCLSA-N 1 1 245.370 1.661 40 0 BDABMO C[N@@H+]1CCCN(C[C@@H]2Cc3ccccc3N2)CC1 ZINC000096524009 173018247 /nfs/dbraw/zinc/01/82/47/173018247.db2.gz CQTKEIKVJHTPFH-AWEZNQCLSA-N 1 1 245.370 1.661 40 0 BDABMO C[N@H+]1CCCN(C[C@@H]2Cc3ccccc3N2)CC1 ZINC000096524009 173018248 /nfs/dbraw/zinc/01/82/48/173018248.db2.gz CQTKEIKVJHTPFH-AWEZNQCLSA-N 1 1 245.370 1.661 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1cncc(N2CCOC2=O)n1 ZINC000257332725 173037182 /nfs/dbraw/zinc/03/71/82/173037182.db2.gz XYJXYVJXAQDPRO-SNVBAGLBSA-N 1 1 248.286 1.200 40 0 BDABMO C[N@H+]1CCCc2nc3ccccc3n2C1 ZINC000013215950 173062187 /nfs/dbraw/zinc/06/21/87/173062187.db2.gz XGDPLSSDVRDCJC-UHFFFAOYSA-N 1 1 201.273 1.872 40 0 BDABMO C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC000096209401 173189848 /nfs/dbraw/zinc/18/98/48/173189848.db2.gz SAAHLJISQUAILS-YPMHNXCESA-N 1 1 234.299 1.039 40 0 BDABMO COC(=O)[C@@]1([NH3+])CCc2cc(F)ccc2C1 ZINC000002527127 173760185 /nfs/dbraw/zinc/76/01/85/173760185.db2.gz NNEOWIRRVOVGTQ-GFCCVEGCSA-N 1 1 223.247 1.185 40 0 BDABMO COCC[N@@H+]1CCCC[C@@H]1c1nccc(C)n1 ZINC000072381557 174305249 /nfs/dbraw/zinc/30/52/49/174305249.db2.gz YTDUZERDUJBROD-GFCCVEGCSA-N 1 1 235.331 1.958 40 0 BDABMO COCC[N@H+]1CCCC[C@@H]1c1nccc(C)n1 ZINC000072381557 174305250 /nfs/dbraw/zinc/30/52/50/174305250.db2.gz YTDUZERDUJBROD-GFCCVEGCSA-N 1 1 235.331 1.958 40 0 BDABMO COc1ccc(C[N@@H+](CCO)C(C)C)cc1 ZINC000070125621 175096964 /nfs/dbraw/zinc/09/69/64/175096964.db2.gz AWJNPQQTTQDRIS-UHFFFAOYSA-N 1 1 223.316 1.898 40 0 BDABMO COc1cccc([C@H]([NH3+])c2nnc(C3CC3)[nH]2)c1 ZINC000095533590 175295344 /nfs/dbraw/zinc/29/53/44/175295344.db2.gz HFVPYCLMKZTDQQ-NSHDSACASA-N 1 1 244.298 1.739 40 0 BDABMO C[C@@H]1CN(Cc2ccccc2)C(=O)C[NH2+]1 ZINC000002525343 176305619 /nfs/dbraw/zinc/30/56/19/176305619.db2.gz KKQLTLKLQTZPJU-SNVBAGLBSA-N 1 1 204.273 1.007 40 0 BDABMO C[C@@H]1CNC[C@@H](C)[NH+]1Cc1ccccc1 ZINC000019364815 176329031 /nfs/dbraw/zinc/32/90/31/176329031.db2.gz BNPHYNQCHNBJEL-VXGBXAGGSA-N 1 1 204.317 1.869 40 0 BDABMO C[C@H]1C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000096100129 177060392 /nfs/dbraw/zinc/06/03/92/177060392.db2.gz FSJKXTRSDQEWFT-XBFCOCLRSA-N 1 1 244.338 1.501 40 0 BDABMO CC(C)Oc1ccc(C[NH2+]CCN)cc1 ZINC000037712861 323107939 /nfs/dbraw/zinc/10/79/39/323107939.db2.gz CISNJOMYVUIJGB-UHFFFAOYSA-N 1 1 208.305 1.522 40 0 BDABMO NNc1cc(CN2CCCCC2)cc[nH+]1 ZINC000052723740 527273765 /nfs/dbraw/zinc/27/37/65/527273765.db2.gz LMEIKLTZCFGPCU-UHFFFAOYSA-N 1 1 206.293 1.353 40 0 BDABMO OCCc1[nH+]c(C2CC2)n2c1CCCC2 ZINC000225746626 527576647 /nfs/dbraw/zinc/57/66/47/527576647.db2.gz YYJRUKOLNUYYNI-UHFFFAOYSA-N 1 1 206.289 1.632 40 0 BDABMO Cc1cc(N(C)C)cc([C@H]2CC[NH2+]C2)n1 ZINC000072344149 178094740 /nfs/dbraw/zinc/09/47/40/178094740.db2.gz YZRTWIHHRFIRLC-JTQLQIEISA-N 1 1 205.305 1.533 40 0 BDABMO [NH3+][C@@H](c1noc(C2CC2)n1)[C@@H]1CCCO1 ZINC000070453719 259313880 /nfs/dbraw/zinc/31/38/80/259313880.db2.gz ZOQJUIAQKXXWOE-JGVFFNPUSA-N 1 1 209.249 1.126 40 0 BDABMO CC(C)(C)[C@@H](NO)[C@H](O)[NH+]1CCCCC1 ZINC000001704718 342710219 /nfs/dbraw/zinc/71/02/19/342710219.db2.gz UXUMECWATOLKFW-UWVGGRQHSA-N 1 1 216.325 1.184 40 0 BDABMO CCOc1ccc(CNCCC[NH2+]C)cc1 ZINC000008324073 342797724 /nfs/dbraw/zinc/79/77/24/342797724.db2.gz XUSRHJFUGQTKAN-UHFFFAOYSA-N 1 1 222.332 1.784 40 0 BDABMO CN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228294 259322766 /nfs/dbraw/zinc/32/27/66/259322766.db2.gz ZXIJYYOKKAEBJR-DTWKUNHWSA-N 1 1 244.216 1.546 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1cccs1 ZINC000217670925 398322628 /nfs/dbraw/zinc/32/26/28/398322628.db2.gz NSVKEPSAPPWVRX-IUCAKERBSA-N 1 1 225.313 1.566 40 0 BDABMO O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@H]1CCC[N@@H+]13 ZINC000031460486 343219827 /nfs/dbraw/zinc/21/98/27/343219827.db2.gz NBGOALXYAZVRPS-FOGDFJRCSA-N 1 1 203.241 1.015 40 0 biogenic,in-vitro BDABMO CC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1(C)C ZINC000031962370 343227007 /nfs/dbraw/zinc/22/70/07/343227007.db2.gz UHWZTDBZPTYYLU-ZDUSSCGKSA-N 1 1 232.327 1.958 40 0 BDABMO C[N@H+](CCO)Cc1ccccc1Br ZINC000042221846 343320891 /nfs/dbraw/zinc/32/08/91/343320891.db2.gz NQSRFQRVIZEMPW-UHFFFAOYSA-N 1 1 244.132 1.873 40 0 BDABMO C[N@@H+](CCO)Cc1ccccc1Br ZINC000042221846 343320893 /nfs/dbraw/zinc/32/08/93/343320893.db2.gz NQSRFQRVIZEMPW-UHFFFAOYSA-N 1 1 244.132 1.873 40 0 BDABMO C[C@@H](C[NH2+]CCCN(C)C)C(=O)OC(C)(C)C ZINC000047219092 343559763 /nfs/dbraw/zinc/55/97/63/343559763.db2.gz NAZHXTMMFSTLLN-NSHDSACASA-N 1 1 244.379 1.506 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccccc1Cl ZINC000096526027 343759915 /nfs/dbraw/zinc/75/99/15/343759915.db2.gz BDBXBHYBBKDUBT-VHSXEESVSA-N 1 1 224.691 1.571 40 0 BDABMO CC(C)C[N@H+]1CC[C@]2(CCN2c2ncccn2)C1 ZINC000096076127 344366553 /nfs/dbraw/zinc/36/65/53/344366553.db2.gz NAANVEHYGWXDKY-AWEZNQCLSA-N 1 1 246.358 1.787 40 0 BDABMO Cc1cc([C@H]2CCCC[N@@H+]2C)c[nH]c1=O ZINC000072217972 344514067 /nfs/dbraw/zinc/51/40/67/344514067.db2.gz CEHJVFUALXIYEK-LLVKDONJSA-N 1 1 206.289 1.840 40 0 BDABMO O=C1C=CC[C@@H]2[C@@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@H]34 ZINC000033815336 344953009 /nfs/dbraw/zinc/95/30/09/344953009.db2.gz AAGFPTSOPGCENQ-RMRHIDDWSA-N 1 1 246.354 1.648 40 0 BDABMO CCOc1cccc(CNCCC[NH3+])c1 ZINC000037713886 323108080 /nfs/dbraw/zinc/10/80/80/323108080.db2.gz GZYVUKQMQGJILM-UHFFFAOYSA-N 1 1 208.305 1.524 40 0 BDABMO OCC[C@H]1CCCC[N@@H+]1Cc1ncc[nH]1 ZINC000019403656 347322272 /nfs/dbraw/zinc/32/22/72/347322272.db2.gz QKZSJJWMHLQTBA-SNVBAGLBSA-N 1 1 209.293 1.147 40 0 BDABMO OCC[C@H]1CCCC[N@H+]1Cc1ncc[nH]1 ZINC000019403656 347322274 /nfs/dbraw/zinc/32/22/74/347322274.db2.gz QKZSJJWMHLQTBA-SNVBAGLBSA-N 1 1 209.293 1.147 40 0 BDABMO Cc1nc([C@@H]2CCC[N@@H+]2C2CCOCC2)no1 ZINC000072357354 180045295 /nfs/dbraw/zinc/04/52/95/180045295.db2.gz ZKTKSKRAVFRFBX-NSHDSACASA-N 1 1 237.303 1.694 40 0 BDABMO Cc1nc([C@@H]2CCC[N@H+]2C2CCOCC2)no1 ZINC000072357354 180045296 /nfs/dbraw/zinc/04/52/96/180045296.db2.gz ZKTKSKRAVFRFBX-NSHDSACASA-N 1 1 237.303 1.694 40 0 BDABMO Cc1ncnc2c1CC[N@H+](C1CCOCC1)CC2 ZINC000096254995 180290410 /nfs/dbraw/zinc/29/04/10/180290410.db2.gz RBVAQACTRMKBSB-UHFFFAOYSA-N 1 1 247.342 1.365 40 0 BDABMO CC[N@@H+]1CC=C(c2nn3c(C)nnc3s2)CC1 ZINC000073636219 350760046 /nfs/dbraw/zinc/76/00/46/350760046.db2.gz ZQRMVIHPKARZJE-UHFFFAOYSA-N 1 1 249.343 1.603 40 0 BDABMO C[C@H](O)CNc1[nH+]c2ccccc2n1C ZINC000000513007 363055194 /nfs/dbraw/zinc/05/51/94/363055194.db2.gz NOUJLZUHARESEU-QMMMGPOBSA-N 1 1 205.261 1.366 40 0 BDABMO CC(=O)N(C[C@@H]1CCCC[N@H+]1CCO)C(C)C ZINC000079416519 188291935 /nfs/dbraw/zinc/29/19/35/188291935.db2.gz YHATVSHLKLEILE-ZDUSSCGKSA-N 1 1 242.363 1.090 40 0 BDABMO C=Cn1cc(C[N@H+]2CCC[C@@H](CO)C2)c(C)n1 ZINC000072397826 188306668 /nfs/dbraw/zinc/30/66/68/188306668.db2.gz ANTCZZJIITYNDD-GFCCVEGCSA-N 1 1 235.331 1.496 40 0 BDABMO CC(C)c1ncc(C[N@H+]2CCC[C@H](CO)C2)cn1 ZINC000072397874 188307258 /nfs/dbraw/zinc/30/72/58/188307258.db2.gz FNGFLGZHJBZYIT-LBPRGKRZSA-N 1 1 249.358 1.804 40 0 BDABMO COc1ccccc1NC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082325708 188312622 /nfs/dbraw/zinc/31/26/22/188312622.db2.gz OPMVFKFQZWUDQY-LLVKDONJSA-N 1 1 248.326 1.976 40 0 BDABMO CNC(=O)c1cccc([C@@H]2CCC[N@H+]2C(C)C)n1 ZINC000257309634 188370330 /nfs/dbraw/zinc/37/03/30/188370330.db2.gz UBSYWXVMNBXDHU-ZDUSSCGKSA-N 1 1 247.342 1.987 40 0 BDABMO NC(=O)[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000037460225 181276630 /nfs/dbraw/zinc/27/66/30/181276630.db2.gz QBNYVGOKHZBVMH-SSDOTTSWSA-N 1 1 219.071 1.479 40 0 BDABMO CC[C@H](C)[N@@H+](C1CC1)[C@H]1CNCC[C@]1(C)O ZINC000685936322 538754452 /nfs/dbraw/zinc/75/44/52/538754452.db2.gz QMSBJDKRCKCHIB-DRZSPHRISA-N 1 1 226.364 1.362 40 0 BDABMO CC[C@H](C)N(C1CC1)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000685936322 538754457 /nfs/dbraw/zinc/75/44/57/538754457.db2.gz QMSBJDKRCKCHIB-DRZSPHRISA-N 1 1 226.364 1.362 40 0 BDABMO Cn1ccc(C[NH2+]Cc2cccs2)n1 ZINC000020351116 357339664 /nfs/dbraw/zinc/33/96/64/357339664.db2.gz IRYXZMJJMYSJAT-UHFFFAOYSA-N 1 1 207.302 1.771 40 0 BDABMO NCC[N@H+]1CCC[C@H]1CCCn1cccn1 ZINC000022763155 181391773 /nfs/dbraw/zinc/39/17/73/181391773.db2.gz VKLFHQOQSBLRNB-LBPRGKRZSA-N 1 1 222.336 1.086 40 0 BDABMO [NH3+]CCN1CCC[C@H]1CCCn1cccn1 ZINC000022763155 181391775 /nfs/dbraw/zinc/39/17/75/181391775.db2.gz VKLFHQOQSBLRNB-LBPRGKRZSA-N 1 1 222.336 1.086 40 0 BDABMO NCC[NH2+]Cc1cccc2ccccc21 ZINC000037712259 181396672 /nfs/dbraw/zinc/39/66/72/181396672.db2.gz QRNYLVMUJRSIMH-UHFFFAOYSA-N 1 1 200.285 1.888 40 0 BDABMO [NH3+]Cc1nc(-c2c(F)cccc2F)no1 ZINC000073640831 181499897 /nfs/dbraw/zinc/49/98/97/181499897.db2.gz AFWFKCLWZABZHQ-UHFFFAOYSA-N 1 1 211.171 1.474 40 0 BDABMO Nc1ccc(C(=O)C[NH+]2CCCCC2)cc1 ZINC000019731381 371186143 /nfs/dbraw/zinc/18/61/43/371186143.db2.gz YQIPUFIWQCBMFR-UHFFFAOYSA-N 1 1 218.300 1.937 40 0 BDABMO CC[N@@H+](CCO)Cc1ccc(OC)cc1 ZINC000070125042 383863607 /nfs/dbraw/zinc/86/36/07/383863607.db2.gz IBWAKXPJJFIQFZ-UHFFFAOYSA-N 1 1 209.289 1.509 40 0 BDABMO CN(C)CCC[NH+]1C[C@@H]2CC=CC[C@H]2C1 ZINC000001682885 383922750 /nfs/dbraw/zinc/92/27/50/383922750.db2.gz KSKOQEQIRRUHFO-STQMWFEESA-N 1 1 208.349 1.836 40 0 BDABMO [NH3+]Cc1n[nH]c2ccc(Br)cc21 ZINC000036533260 383903142 /nfs/dbraw/zinc/90/31/42/383903142.db2.gz UMXFIKCLHAXJFN-UHFFFAOYSA-N 1 1 226.077 1.784 40 0 BDABMO C[C@]12C[N@@H+](Cc3ccccc3)C[C@@H]1COC2=O ZINC000004203329 384044431 /nfs/dbraw/zinc/04/44/31/384044431.db2.gz WYYLGDWDFHKZPL-OCCSQVGLSA-N 1 1 231.295 1.682 40 0 BDABMO C[N@@H+](Cc1ccccc1)C[C@@H]1CCN(CCO)C1 ZINC000079414110 384137590 /nfs/dbraw/zinc/13/75/90/384137590.db2.gz KKOKQVSWLPQLLK-HNNXBMFYSA-N 1 1 248.370 1.433 40 0 BDABMO C[N@H+](Cc1ccccc1)C[C@@H]1CCN(CCO)C1 ZINC000079414110 384137598 /nfs/dbraw/zinc/13/75/98/384137598.db2.gz KKOKQVSWLPQLLK-HNNXBMFYSA-N 1 1 248.370 1.433 40 0 BDABMO CN(C)[C@H]1CCCC[C@H]1[N@H+](CCO)C1CC1 ZINC000079423142 384146439 /nfs/dbraw/zinc/14/64/39/384146439.db2.gz SQUWYBOMJCWVLV-QWHCGFSZSA-N 1 1 226.364 1.316 40 0 BDABMO CN(C)[C@H]1CCCC[C@H]1[N@@H+](CCO)C1CC1 ZINC000079423142 384146441 /nfs/dbraw/zinc/14/64/41/384146441.db2.gz SQUWYBOMJCWVLV-QWHCGFSZSA-N 1 1 226.364 1.316 40 0 BDABMO CC(C)[NH+](CN1C(=O)CSC1=O)C(C)C ZINC000408718310 384187663 /nfs/dbraw/zinc/18/76/63/384187663.db2.gz RDVKCIMDLTYUCT-UHFFFAOYSA-N 1 1 230.333 1.758 40 0 BDABMO Cn1cc(C[N@@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000072357322 384214101 /nfs/dbraw/zinc/21/41/01/384214101.db2.gz VYIBICFUDMDFQL-ZDUSSCGKSA-N 1 1 243.314 1.547 40 0 BDABMO Cn1cc(C[N@H+]2CCC[C@H]2c2cnccn2)cn1 ZINC000072357322 384214107 /nfs/dbraw/zinc/21/41/07/384214107.db2.gz VYIBICFUDMDFQL-ZDUSSCGKSA-N 1 1 243.314 1.547 40 0 BDABMO Cc1ccc(C[C@@H]2CCC[N@@H+](CCO)C2)nc1 ZINC000072381360 384216874 /nfs/dbraw/zinc/21/68/74/384216874.db2.gz JYZRDLACBYNHKP-ZDUSSCGKSA-N 1 1 234.343 1.637 40 0 BDABMO Cc1cc(CCC(N)=O)cc([C@H]2CCC[N@@H+]2C)n1 ZINC000072382829 384219579 /nfs/dbraw/zinc/21/95/79/384219579.db2.gz HTHFSNMDEZNMCC-CYBMUJFWSA-N 1 1 247.342 1.575 40 0 BDABMO CC(C)C(=O)N1CC[C@@]2(CC[N@H+]2CC2CC2)C1 ZINC000096228669 384447262 /nfs/dbraw/zinc/44/72/62/384447262.db2.gz QRXWRNDYILCRHC-CQSZACIVSA-N 1 1 236.359 1.729 40 0 BDABMO c1cnc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3CC2CC2)nc1 ZINC000096184839 384440289 /nfs/dbraw/zinc/44/02/89/384440289.db2.gz DNRDYYAXOYXYKL-OLZOCXBDSA-N 1 1 244.342 1.540 40 0 BDABMO CCOC[C@H]1C[N@H+](C(C)C)Cc2nnn(C)c21 ZINC000096198522 384443418 /nfs/dbraw/zinc/44/34/18/384443418.db2.gz ZFZUHYPCCNXJJE-SNVBAGLBSA-N 1 1 238.335 1.159 40 0 BDABMO CN(C)C(=O)c1conc1[C@@H]1CCCC[NH2+]1 ZINC000072208436 385061512 /nfs/dbraw/zinc/06/15/12/385061512.db2.gz ORNJOZOENJMWKP-VIFPVBQESA-N 1 1 223.276 1.191 40 0 BDABMO Cc1nnc([C@H]([NH3+])c2ccc(Cl)cc2)[nH]1 ZINC000095533926 385034952 /nfs/dbraw/zinc/03/49/52/385034952.db2.gz FVCBOYUCIYRIPQ-SECBINFHSA-N 1 1 222.679 1.815 40 0 BDABMO Cc1nc(N2CCN(C)CC2)ccc1[C@@H](C)[NH3+] ZINC000072224652 385118807 /nfs/dbraw/zinc/11/88/07/385118807.db2.gz RBXHIDKSPWAVQX-SNVBAGLBSA-N 1 1 234.347 1.162 40 0 BDABMO CCN1CCN(c2ccc([C@H](C)[NH3+])cn2)CC1 ZINC000072225552 385122833 /nfs/dbraw/zinc/12/28/33/385122833.db2.gz VMPLEBFYTQRCKI-NSHDSACASA-N 1 1 234.347 1.243 40 0 BDABMO [NH3+][C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccco1 ZINC000072228134 385128638 /nfs/dbraw/zinc/12/86/38/385128638.db2.gz ZITVDBMCNCLZAD-QWHCGFSZSA-N 1 1 242.278 1.690 40 0 BDABMO Cc1[nH+]c(N)ccc1[C@@H]1CCCN1C=O ZINC000072218547 385101145 /nfs/dbraw/zinc/10/11/45/385101145.db2.gz SUSGJRSQDPSIIH-JTQLQIEISA-N 1 1 205.261 1.266 40 0 BDABMO CNc1ccc([C@@H]2CCCN2C=O)c(C)[nH+]1 ZINC000072219087 385105360 /nfs/dbraw/zinc/10/53/60/385105360.db2.gz DBCDFCDPWHXRKM-NSHDSACASA-N 1 1 219.288 1.725 40 0 BDABMO N[C@@H]1CC[N@H+](CCCn2cnc3ccccc32)C1 ZINC000096523480 385267605 /nfs/dbraw/zinc/26/76/05/385267605.db2.gz WELBYCAOOLNBGX-GFCCVEGCSA-N 1 1 244.342 1.459 40 0 BDABMO N[C@@H]1CC[N@@H+](CCCn2cnc3ccccc32)C1 ZINC000096523480 385267614 /nfs/dbraw/zinc/26/76/14/385267614.db2.gz WELBYCAOOLNBGX-GFCCVEGCSA-N 1 1 244.342 1.459 40 0 BDABMO [NH3+]C[C@H]1CCCCN1Cc1[nH]nc2ccccc21 ZINC000096523584 385267746 /nfs/dbraw/zinc/26/77/46/385267746.db2.gz XZCRXMGYIPEODM-LLVKDONJSA-N 1 1 244.342 1.876 40 0 BDABMO CCOC(=O)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000005717357 385487492 /nfs/dbraw/zinc/48/74/92/385487492.db2.gz BFVUHFOCHKBINX-NSHDSACASA-N 1 1 211.305 1.957 40 0 BDABMO C[NH+](C)CCC[N@H+]1CC[C@@H](O)[C@H]2CCCC[C@@H]21 ZINC000004751437 385607028 /nfs/dbraw/zinc/60/70/28/385607028.db2.gz JHEIOFIBTVJIHC-MELADBBJSA-N 1 1 240.391 1.564 40 0 BDABMO CN(C)CCC[N@@H+]1CC[C@@H](O)[C@H]2CCCC[C@@H]21 ZINC000004751437 385607031 /nfs/dbraw/zinc/60/70/31/385607031.db2.gz JHEIOFIBTVJIHC-MELADBBJSA-N 1 1 240.391 1.564 40 0 BDABMO CN(C)CCC[N@H+]1CC[C@@H](O)[C@H]2CCCC[C@@H]21 ZINC000004751437 385607036 /nfs/dbraw/zinc/60/70/36/385607036.db2.gz JHEIOFIBTVJIHC-MELADBBJSA-N 1 1 240.391 1.564 40 0 BDABMO CN1CCC([N@H+]2CCC[C@H]2c2ccncn2)CC1 ZINC000257242035 385756265 /nfs/dbraw/zinc/75/62/65/385756265.db2.gz IATSKTODWFLPPM-AWEZNQCLSA-N 1 1 246.358 1.708 40 0 BDABMO C[NH+]1CCC(N2CCC[C@H]2c2ccncn2)CC1 ZINC000257242035 385756268 /nfs/dbraw/zinc/75/62/68/385756268.db2.gz IATSKTODWFLPPM-AWEZNQCLSA-N 1 1 246.358 1.708 40 0 BDABMO Cn1cnnc1[C@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC000257301247 385761728 /nfs/dbraw/zinc/76/17/28/385761728.db2.gz RXQYDNISDQUJGD-CYBMUJFWSA-N 1 1 234.347 1.579 40 0 BDABMO Cc1nc(-c2cc[nH]n2)cc([C@H]2CCC[N@@H+]2C)n1 ZINC000257288264 385761890 /nfs/dbraw/zinc/76/18/90/385761890.db2.gz PTOIGZNPTUKUIA-CYBMUJFWSA-N 1 1 243.314 1.942 40 0 BDABMO Nc1c[nH+]c(N2CCCC2)nc1N1CCCC1 ZINC000217513448 385883968 /nfs/dbraw/zinc/88/39/68/385883968.db2.gz AOCFAMWWRAFSPT-UHFFFAOYSA-N 1 1 233.319 1.259 40 0 BDABMO CCO[C@@H](c1noc(C[NH3+])n1)c1ccccc1 ZINC000072417713 386089371 /nfs/dbraw/zinc/08/93/71/386089371.db2.gz BEXZDHWDOJGIGO-LLVKDONJSA-N 1 1 233.271 1.654 40 0 BDABMO CO[C@H]1COCC[N@H+](Cc2c(C)noc2C)C1 ZINC000077265975 387450900 /nfs/dbraw/zinc/45/09/00/387450900.db2.gz BWCBNFXVZGKAKW-LLVKDONJSA-N 1 1 240.303 1.139 40 0 biogenic,in-vitro BDABMO CO[C@H]1COCC[N@@H+](Cc2c(C)noc2C)C1 ZINC000077265975 387450903 /nfs/dbraw/zinc/45/09/03/387450903.db2.gz BWCBNFXVZGKAKW-LLVKDONJSA-N 1 1 240.303 1.139 40 0 biogenic,in-vitro BDABMO CN1C[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC000575447512 387672661 /nfs/dbraw/zinc/67/26/61/387672661.db2.gz BHOQHYOAFUMULA-KGLIPLIRSA-N 1 1 216.328 1.823 40 0 BDABMO C[N@@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC000575447512 387672666 /nfs/dbraw/zinc/67/26/66/387672666.db2.gz BHOQHYOAFUMULA-KGLIPLIRSA-N 1 1 216.328 1.823 40 0 BDABMO C[N@H+]1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 ZINC000575447512 387672669 /nfs/dbraw/zinc/67/26/69/387672669.db2.gz BHOQHYOAFUMULA-KGLIPLIRSA-N 1 1 216.328 1.823 40 0 BDABMO CC[C@H](C)n1nccc1CNCC[NH+](C)C ZINC000256050187 387858801 /nfs/dbraw/zinc/85/88/01/387858801.db2.gz DBQVUVNYEYSQCC-NSHDSACASA-N 1 1 224.352 1.505 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217668813 387989789 /nfs/dbraw/zinc/98/97/89/387989789.db2.gz QOISGXDCUJFTKH-VXGBXAGGSA-N 1 1 234.299 1.087 40 0 BDABMO COC(=O)CCc1ccc2nc(C)[nH]c2c1 ZINC000217767539 388381064 /nfs/dbraw/zinc/38/10/64/388381064.db2.gz SQIUTZBTMZRATE-UHFFFAOYSA-N 1 1 218.256 1.977 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1cccc(F)c1 ZINC000242648716 388400166 /nfs/dbraw/zinc/40/01/66/388400166.db2.gz RECSJVDZPUFSAZ-NWDGAFQWSA-N 1 1 237.274 1.644 40 0 BDABMO C[N@@H+](CC1(O)CCCC1)[C@H]1CCCC[C@@H]1O ZINC000125880526 388811993 /nfs/dbraw/zinc/81/19/93/388811993.db2.gz NTQJWACWITTXLY-RYUDHWBXSA-N 1 1 227.348 1.527 40 0 BDABMO COc1ccc([C@H]([NH3+])c2nnc(C)[nH]2)cc1 ZINC000095533643 388776811 /nfs/dbraw/zinc/77/68/11/388776811.db2.gz TZTMQUZNWYDLJD-JTQLQIEISA-N 1 1 218.260 1.170 40 0 BDABMO Nc1cc(N2CCC[C@@H](c3cc[nH]n3)C2)nc[nH+]1 ZINC000072357409 132396522 /nfs/dbraw/zinc/39/65/22/132396522.db2.gz OETUXFRXDXAAAI-SECBINFHSA-N 1 1 244.302 1.166 40 0 BDABMO CC(C)(C)N1C(=O)[C@H]([NH3+])[C@H]1c1ccccc1 ZINC000196566617 397911437 /nfs/dbraw/zinc/91/14/37/397911437.db2.gz QCBBUJYRYTXIOP-GHMZBOCLSA-N 1 1 218.300 1.696 40 0 BDABMO CC(C)[N@@H+]1C[C@H]2c3cnc(N(C)C)nc3C[C@@H]2C1 ZINC000306125608 167035177 /nfs/dbraw/zinc/03/51/77/167035177.db2.gz CVLLHMFDFRGLRS-ZYHUDNBSSA-N 1 1 246.358 1.523 40 0 BDABMO CN(C)C[C@H]1COc2ccccc2[C@H]1[NH3+] ZINC000062702164 411220363 /nfs/dbraw/zinc/22/03/63/411220363.db2.gz GHGQETRMMUTEAD-CABZTGNLSA-N 1 1 206.289 1.257 40 0 BDABMO CCOC(=O)CC(C)(C)[NH+]1CCOCC1 ZINC000070823443 170198295 /nfs/dbraw/zinc/19/82/95/170198295.db2.gz ZGZGXZAMUARRRB-UHFFFAOYSA-N 1 1 215.293 1.050 40 0 BDABMO CCOC(=O)[C@H](CCSC)[NH+](C)C ZINC000001677422 170273324 /nfs/dbraw/zinc/27/33/24/170273324.db2.gz FAUGGBDSWQMGDX-QMMMGPOBSA-N 1 1 205.323 1.233 40 0 BDABMO CCc1nnc([C@@H]([NH3+])c2ccccc2)[nH]1 ZINC000048630909 172005053 /nfs/dbraw/zinc/00/50/53/172005053.db2.gz STMPUBBWSIQIRZ-JTQLQIEISA-N 1 1 202.261 1.415 40 0 BDABMO CCn1cc(C[N@H+]2CCC[C@@H](CO)C2)c(C)n1 ZINC000013568217 172164709 /nfs/dbraw/zinc/16/47/09/172164709.db2.gz PNEFHKBZMBIJTF-GFCCVEGCSA-N 1 1 237.347 1.416 40 0 BDABMO CCn1nccc1C[NH2+]Cc1c(C)cnn1C ZINC000256053441 172270437 /nfs/dbraw/zinc/27/04/37/172270437.db2.gz RMBLWHGGTVGVAQ-UHFFFAOYSA-N 1 1 233.319 1.235 40 0 BDABMO CN1CCC[C@@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515793 173037351 /nfs/dbraw/zinc/03/73/51/173037351.db2.gz ZVFZUUAVIAYGQA-WCBMZHEXSA-N 1 1 220.320 1.513 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000082320035 173038316 /nfs/dbraw/zinc/03/83/16/173038316.db2.gz ZHBSOBRTWCHELU-LBPRGKRZSA-N 1 1 224.348 1.731 40 0 BDABMO CN(Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082306431 173038568 /nfs/dbraw/zinc/03/85/68/173038568.db2.gz WIVOJBVVEWEYMI-AWEZNQCLSA-N 1 1 246.354 1.987 40 0 BDABMO C[N@H+]1CC[C@]2(C1)C[C@H](Nc1ncccn1)CCO2 ZINC000096209221 173141344 /nfs/dbraw/zinc/14/13/44/173141344.db2.gz YMGJLGHMHCISLV-DGCLKSJQSA-N 1 1 248.330 1.142 40 0 BDABMO C[N@H+]1C[C@@H]2C[C@]2(NC(=O)c2cccc(F)c2)C1 ZINC000096248948 173189763 /nfs/dbraw/zinc/18/97/63/173189763.db2.gz OXPPFBGUMWIYTN-GWCFXTLKSA-N 1 1 234.274 1.260 40 0 BDABMO COc1ccc(-c2n[nH]c([C@H](C)[NH3+])n2)cc1 ZINC000061843970 175037739 /nfs/dbraw/zinc/03/77/39/175037739.db2.gz ZABUVSRNJDAUSV-ZETCQYMHSA-N 1 1 218.260 1.500 40 0 BDABMO COc1cccc(C2(N)CC[NH2+]CC2)c1 ZINC000096029464 175248082 /nfs/dbraw/zinc/24/80/82/175248082.db2.gz BOEZMQUINHFINF-UHFFFAOYSA-N 1 1 206.289 1.233 40 0 BDABMO COc1cccc([C@H]([NH3+])c2nnc(C(C)C)[nH]2)c1 ZINC000095533511 175295308 /nfs/dbraw/zinc/29/53/08/175295308.db2.gz PJHGEWCDPJQWQR-NSHDSACASA-N 1 1 246.314 1.985 40 0 BDABMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@@H](O)C1 ZINC000095089039 176027470 /nfs/dbraw/zinc/02/74/70/176027470.db2.gz IKDJNGOSFJDSOY-WDEREUQCSA-N 1 1 206.289 1.599 40 0 BDABMO C[C@@H](c1ccccn1)[N@H+]1CCC[C@H](CO)C1 ZINC000072203953 176027867 /nfs/dbraw/zinc/02/78/67/176027867.db2.gz CCCKFMGXAZWYAU-RYUDHWBXSA-N 1 1 220.316 1.847 40 0 BDABMO C[C@@H](c1cnccn1)[N@H+]1CCC[C@H](CO)C1 ZINC000072202898 176037286 /nfs/dbraw/zinc/03/72/86/176037286.db2.gz ZXTPHABXDVSFCI-QWRGUYRKSA-N 1 1 221.304 1.242 40 0 BDABMO C[C@H]1CCN(CCO)CC[N@H+]1Cc1ccccc1 ZINC000177842957 177159879 /nfs/dbraw/zinc/15/98/79/177159879.db2.gz YTUVMHUKVKWZEJ-AWEZNQCLSA-N 1 1 248.370 1.575 40 0 BDABMO C[C@H]1CC[N@H+](CCO)CCN1Cc1ccccc1 ZINC000177842957 177159880 /nfs/dbraw/zinc/15/98/80/177159880.db2.gz YTUVMHUKVKWZEJ-AWEZNQCLSA-N 1 1 248.370 1.575 40 0 BDABMO C[C@H]1CC[N@@H+](CCO)CCN1Cc1ccccc1 ZINC000177842957 177159883 /nfs/dbraw/zinc/15/98/83/177159883.db2.gz YTUVMHUKVKWZEJ-AWEZNQCLSA-N 1 1 248.370 1.575 40 0 BDABMO Cc1[nH+]c(N)ccc1CNC(=O)OC(C)(C)C ZINC000072224119 262722436 /nfs/dbraw/zinc/72/24/36/262722436.db2.gz QSWGFTQXUMVIRZ-UHFFFAOYSA-N 1 1 237.303 1.997 40 0 BDABMO CC(C)[N@@H+](C)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000242390175 519632131 /nfs/dbraw/zinc/63/21/31/519632131.db2.gz ACCKOIBVQPZXOE-XYPYZODXSA-N 1 1 228.336 1.312 40 0 BDABMO Cc1ccc(Br)c(N(C)N)[nH+]1 ZINC000199542725 525981784 /nfs/dbraw/zinc/98/17/84/525981784.db2.gz XOJJUCJJTJRDNP-UHFFFAOYSA-N 1 1 216.082 1.462 40 0 BDABMO O=C1NCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000261507629 527071649 /nfs/dbraw/zinc/07/16/49/527071649.db2.gz KLBIDDAWGHRPBL-STQMWFEESA-N 1 1 230.311 1.255 40 0 BDABMO CC[NH+]1CCC(c2cc(CCO)[nH]n2)CC1 ZINC000072361071 343980128 /nfs/dbraw/zinc/98/01/28/343980128.db2.gz BHJHUVOLPRJTGU-UHFFFAOYSA-N 1 1 223.320 1.144 40 0 BDABMO CC[N@H+]1CCC[C@@]1(C)c1nc(C)cc(N)n1 ZINC000072388335 343979996 /nfs/dbraw/zinc/97/99/96/343979996.db2.gz LRUWZYRVALINMH-LBPRGKRZSA-N 1 1 220.320 1.698 40 0 BDABMO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC000038538938 178086193 /nfs/dbraw/zinc/08/61/93/178086193.db2.gz DSAWDXREQMUHEF-GFCCVEGCSA-N 1 1 209.264 1.701 40 0 BDABMO CCc1ccc([C@@H](CO)[NH+]2CCOCC2)cc1 ZINC000070452922 259313619 /nfs/dbraw/zinc/31/36/19/259313619.db2.gz GYDUNUHZGSBBCL-CQSZACIVSA-N 1 1 235.327 1.615 40 0 BDABMO CCOc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000005465394 342764589 /nfs/dbraw/zinc/76/45/89/342764589.db2.gz GBDXZTXCPQMGBW-UHFFFAOYSA-N 1 1 248.326 1.473 40 0 BDABMO Cc1cccc(C[C@H]2C[N@H+]3CCC[C@H]3CN2)c1 ZINC000039957313 361908731 /nfs/dbraw/zinc/90/87/31/361908731.db2.gz XWOBZZWMVQMZLD-GJZGRUSLSA-N 1 1 230.355 1.974 40 0 BDABMO CN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccccc1Cl ZINC000072228275 259323015 /nfs/dbraw/zinc/32/30/15/259323015.db2.gz PWOBDSLRPMOWOO-IUCAKERBSA-N 1 1 210.664 1.180 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1cccc(F)c1 ZINC000242648718 259325942 /nfs/dbraw/zinc/32/59/42/259325942.db2.gz RECSJVDZPUFSAZ-RYUDHWBXSA-N 1 1 237.274 1.644 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217668999 398322811 /nfs/dbraw/zinc/32/28/11/398322811.db2.gz JSOMRGBZMHYPNK-VXGBXAGGSA-N 1 1 234.299 1.087 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217669071 398322961 /nfs/dbraw/zinc/32/29/61/398322961.db2.gz JSOMRGBZMHYPNK-NEPJUHHUSA-N 1 1 234.299 1.087 40 0 BDABMO Nc1ccc[nH+]c1NC[C@@H](O)c1ccccc1 ZINC000031670132 343222746 /nfs/dbraw/zinc/22/27/46/343222746.db2.gz CIHFPEDHCTYNBP-GFCCVEGCSA-N 1 1 229.283 1.809 40 0 BDABMO Cc1ccc([C@H](CO)[NH+]2CCOCC2)cc1 ZINC000031555276 343220800 /nfs/dbraw/zinc/22/08/00/343220800.db2.gz INOQMQSETMLXJI-ZDUSSCGKSA-N 1 1 221.300 1.361 40 0 BDABMO O=C1CC[C@]2(c3ccc(F)cc3)[NH2+]CCCCN12 ZINC000035572417 343298508 /nfs/dbraw/zinc/29/85/08/343298508.db2.gz VQQQFIOKECOMGG-AWEZNQCLSA-N 1 1 248.301 1.984 40 0 BDABMO CCN1CCC([NH2+]C[C@@H](C)OC)CC1 ZINC000096528802 343758983 /nfs/dbraw/zinc/75/89/83/343758983.db2.gz OKUUTSABESCQFY-SNVBAGLBSA-N 1 1 200.326 1.095 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000096526049 343760063 /nfs/dbraw/zinc/76/00/63/343760063.db2.gz YZXKRKDHOQOFIU-NXEZZACHSA-N 1 1 224.691 1.571 40 0 BDABMO NCC(F)(C[NH3+])C/C=C/c1ccccc1 ZINC000585142206 343876630 /nfs/dbraw/zinc/87/66/30/343876630.db2.gz KLNPACACUWYCRK-QPJJXVBHSA-N 1 1 208.280 1.716 40 0 BDABMO Nc1[nH]nc2nc([C@@H]3CCCC[NH2+]3)ccc12 ZINC000019695517 347031906 /nfs/dbraw/zinc/03/19/06/347031906.db2.gz KMKAFWCFIQMFMT-QMMMGPOBSA-N 1 1 217.276 1.355 40 0 BDABMO CC[N@H+]1CCC12CCN(C(=O)c1ccc[nH]1)CC2 ZINC000096078015 344366454 /nfs/dbraw/zinc/36/64/54/344366454.db2.gz CHYINAQBICTCGG-UHFFFAOYSA-N 1 1 247.342 1.715 40 0 BDABMO CO[C@H](C(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000008091774 346670483 /nfs/dbraw/zinc/67/04/83/346670483.db2.gz BXQPJMWMWQBTEA-ZDUSSCGKSA-N 1 1 248.326 1.148 40 0 BDABMO [NH3+][C@@H](c1ccc(F)cc1)c1ncccn1 ZINC000037467220 348610447 /nfs/dbraw/zinc/61/04/47/348610447.db2.gz KVPLHSMBRBBVIT-JTQLQIEISA-N 1 1 203.220 1.664 40 0 BDABMO C[N@H+]1CC[C@@H](c2n[nH]cc2-c2ccnc(N)c2)C1 ZINC000205677856 348572431 /nfs/dbraw/zinc/57/24/31/348572431.db2.gz KVXWJNJPCRJQMX-SNVBAGLBSA-N 1 1 243.314 1.473 40 0 BDABMO CCC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005427986 350087276 /nfs/dbraw/zinc/08/72/76/350087276.db2.gz LDCQPTDRQJWLOD-NWDGAFQWSA-N 1 1 224.348 1.777 40 0 BDABMO Cc1nc([C@@H]([NH3+])c2ccc(F)cc2)nn1C ZINC000095533373 180039144 /nfs/dbraw/zinc/03/91/44/180039144.db2.gz FHDAQDDEULFJNN-JTQLQIEISA-N 1 1 220.251 1.311 40 0 BDABMO COc1ccc([C@]23CCC[N@H+]2CCCN3)cc1 ZINC000019329203 188280751 /nfs/dbraw/zinc/28/07/51/188280751.db2.gz PMGLPQRIWNNHRB-AWEZNQCLSA-N 1 1 232.327 1.937 40 0 BDABMO CC(=O)N1CCCC[C@@H]1C[N@H+](CCO)C(C)C ZINC000079405427 188292132 /nfs/dbraw/zinc/29/21/32/188292132.db2.gz SYJMBZSGIUGZJF-CYBMUJFWSA-N 1 1 242.363 1.090 40 0 BDABMO CC(C)[N@H+]1CCC[C@@H]1c1cc(CCO)n[nH]1 ZINC000072381385 188306517 /nfs/dbraw/zinc/30/65/17/188306517.db2.gz DUMIXPHNIFSMHB-GFCCVEGCSA-N 1 1 223.320 1.490 40 0 BDABMO CC(C)(C)c1cc(CN2CCC[C@H]([NH3+])C2)n[nH]1 ZINC000096523541 188321528 /nfs/dbraw/zinc/32/15/28/188321528.db2.gz VMNXHSGITBYWEK-JTQLQIEISA-N 1 1 236.363 1.630 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000082320036 188313108 /nfs/dbraw/zinc/31/31/08/188313108.db2.gz ZHBSOBRTWCHELU-GFCCVEGCSA-N 1 1 224.348 1.731 40 0 BDABMO Cc1nn(C)c(C)c1-c1noc([C@@H](C)[NH3+])n1 ZINC000095095291 188319460 /nfs/dbraw/zinc/31/94/60/188319460.db2.gz ALHMLPDHOWDRIR-RXMQYKEDSA-N 1 1 221.264 1.107 40 0 BDABMO [NH3+]CC(=O)c1ccc(OCC(F)F)cc1 ZINC000169800052 188338992 /nfs/dbraw/zinc/33/89/92/188338992.db2.gz YJBXQYKQNYNLBW-UHFFFAOYSA-N 1 1 215.199 1.472 40 0 BDABMO CC[C@H](C)[N@@H+](C1CC1)[C@H]1CNCC[C@@]1(C)O ZINC000685936324 538754969 /nfs/dbraw/zinc/75/49/69/538754969.db2.gz QMSBJDKRCKCHIB-WCFLWFBJSA-N 1 1 226.364 1.362 40 0 BDABMO CC[C@H](C)N(C1CC1)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000685936324 538754972 /nfs/dbraw/zinc/75/49/72/538754972.db2.gz QMSBJDKRCKCHIB-WCFLWFBJSA-N 1 1 226.364 1.362 40 0 BDABMO [NH3+]CC1CCN(Cc2cc(C3CC3)n[nH]2)CC1 ZINC000096523637 181365253 /nfs/dbraw/zinc/36/52/53/181365253.db2.gz CBZSHBLDOZRPEZ-UHFFFAOYSA-N 1 1 234.347 1.458 40 0 BDABMO C[N@H+]1CCC[C@H](CO)[C@H]1c1cccnc1 ZINC000110754798 369975602 /nfs/dbraw/zinc/97/56/02/369975602.db2.gz PEGYGTJMLPKERQ-VXGBXAGGSA-N 1 1 206.289 1.457 40 0 BDABMO OC1CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000019270817 183028863 /nfs/dbraw/zinc/02/88/63/183028863.db2.gz GUNJRFOCPKOMIX-UHFFFAOYSA-N 1 1 226.707 1.692 40 0 BDABMO OCC[N@@H+](Cc1ccc2c(c1)OCCO2)C1CC1 ZINC000079421386 183069306 /nfs/dbraw/zinc/06/93/06/183069306.db2.gz WOIVAJKXFXGULF-UHFFFAOYSA-N 1 1 249.310 1.415 40 0 BDABMO OC[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000005553640 183123030 /nfs/dbraw/zinc/12/30/30/183123030.db2.gz MOAXSRVLHDNZLR-CQSZACIVSA-N 1 1 235.327 1.517 40 0 BDABMO OCc1cc([C@H]2CCC[N@@H+](CC3CC3)C2)n[nH]1 ZINC000072350801 183161942 /nfs/dbraw/zinc/16/19/42/183161942.db2.gz REGZDTOKEOAOJK-NSHDSACASA-N 1 1 235.331 1.491 40 0 BDABMO OCc1cc([C@H]2CCC[N@H+](CC3CC3)C2)[nH]n1 ZINC000072350801 183161943 /nfs/dbraw/zinc/16/19/43/183161943.db2.gz REGZDTOKEOAOJK-NSHDSACASA-N 1 1 235.331 1.491 40 0 BDABMO OCc1cc([C@H]2CCC[N@@H+](CC3CC3)C2)[nH]n1 ZINC000072350801 183161944 /nfs/dbraw/zinc/16/19/44/183161944.db2.gz REGZDTOKEOAOJK-NSHDSACASA-N 1 1 235.331 1.491 40 0 BDABMO O=c1[nH][nH]c2c1C[N@H+](Cc1ccccc1)CC2 ZINC000066055302 183306089 /nfs/dbraw/zinc/30/60/89/183306089.db2.gz JLSFFUFNROMPPO-UHFFFAOYSA-N 1 1 229.283 1.674 40 0 BDABMO O=c1[nH][nH]c2c1C[N@@H+](Cc1ccccc1)CC2 ZINC000066055302 183306092 /nfs/dbraw/zinc/30/60/92/183306092.db2.gz JLSFFUFNROMPPO-UHFFFAOYSA-N 1 1 229.283 1.674 40 0 BDABMO c1cc([C@H]2CC[N@@H+](Cc3cscn3)C2)n[nH]1 ZINC000257325794 183364339 /nfs/dbraw/zinc/36/43/39/183364339.db2.gz WULJTLLPQDLRFG-VIFPVBQESA-N 1 1 234.328 1.856 40 0 BDABMO c1cc([C@H]2CC[N@H+](Cc3cscn3)C2)n[nH]1 ZINC000257325794 183364342 /nfs/dbraw/zinc/36/43/42/183364342.db2.gz WULJTLLPQDLRFG-VIFPVBQESA-N 1 1 234.328 1.856 40 0 BDABMO CN(C)CCC[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000001682883 383922242 /nfs/dbraw/zinc/92/22/42/383922242.db2.gz KSKOQEQIRRUHFO-BETUJISGSA-N 1 1 208.349 1.836 40 0 BDABMO CN(C)CCC[N@@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000001682883 383922249 /nfs/dbraw/zinc/92/22/49/383922249.db2.gz KSKOQEQIRRUHFO-BETUJISGSA-N 1 1 208.349 1.836 40 0 BDABMO CNc1nc(C)cc(NCCCCCC[NH3+])n1 ZINC000008731115 383930552 /nfs/dbraw/zinc/93/05/52/383930552.db2.gz OOHFPELGXVPJTE-UHFFFAOYSA-N 1 1 237.351 1.758 40 0 BDABMO CC(C)(C)c1nc[nH+]c(NN)c1Br ZINC000071256292 384156580 /nfs/dbraw/zinc/15/65/80/384156580.db2.gz CMBJTROISPRCLI-UHFFFAOYSA-N 1 1 245.124 1.822 40 0 BDABMO CC(C)[N@@H+](C)C[C@H]1CCC[NH+](CC(=O)[O-])C1 ZINC000079419752 384142485 /nfs/dbraw/zinc/14/24/85/384142485.db2.gz BWKSUZHXOCUDIW-LLVKDONJSA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[NH+](C)C[C@H]1CCC[N@H+](CC(=O)[O-])C1 ZINC000079419752 384142491 /nfs/dbraw/zinc/14/24/91/384142491.db2.gz BWKSUZHXOCUDIW-LLVKDONJSA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[NH+](C)C[C@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000079419752 384142498 /nfs/dbraw/zinc/14/24/98/384142498.db2.gz BWKSUZHXOCUDIW-LLVKDONJSA-N 1 1 228.336 1.123 40 0 BDABMO O=C(c1c[nH]nc1[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000072352900 384209785 /nfs/dbraw/zinc/20/97/85/384209785.db2.gz OCOSOJFKQLFZTG-LLVKDONJSA-N 1 1 248.330 1.460 40 0 BDABMO Cn1cc(C[N@@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000072357321 384215086 /nfs/dbraw/zinc/21/50/86/384215086.db2.gz VYIBICFUDMDFQL-CYBMUJFWSA-N 1 1 243.314 1.547 40 0 BDABMO Cn1cc(C[N@H+]2CCC[C@@H]2c2cnccn2)cn1 ZINC000072357321 384215091 /nfs/dbraw/zinc/21/50/91/384215091.db2.gz VYIBICFUDMDFQL-CYBMUJFWSA-N 1 1 243.314 1.547 40 0 BDABMO CNc1cc(C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072381299 384217320 /nfs/dbraw/zinc/21/73/20/384217320.db2.gz UYCZSBKJDIJBHQ-JTQLQIEISA-N 1 1 220.320 1.636 40 0 BDABMO CN(C)c1ccnc([C@H]2CCC[N@@H+]2C)n1 ZINC000072382319 384219829 /nfs/dbraw/zinc/21/98/29/384219829.db2.gz CEGDAQGJNRETEX-SECBINFHSA-N 1 1 206.293 1.309 40 0 BDABMO CN(C)c1ccnc([C@H]2CCC[N@H+]2C)n1 ZINC000072382319 384219833 /nfs/dbraw/zinc/21/98/33/384219833.db2.gz CEGDAQGJNRETEX-SECBINFHSA-N 1 1 206.293 1.309 40 0 BDABMO CCC1=C[C@H]2C[C@H](C(=O)OC)[C@]1([NH+](C)C)C2=O ZINC000073333008 384250380 /nfs/dbraw/zinc/25/03/80/384250380.db2.gz RPVRFXHMIMBOLH-PLMOITTCSA-N 1 1 237.299 1.015 40 0 BDABMO c1cncc(-c2nnc([C@H]3CCC[NH2+]C3)[nH]2)c1 ZINC000012114032 384307075 /nfs/dbraw/zinc/30/70/75/384307075.db2.gz KHBKSNQUUZMONT-JTQLQIEISA-N 1 1 229.287 1.334 40 0 BDABMO C[NH+](C)[C@H]1CC[C@H]([N@@H+](CC(=O)[O-])C2CC2)CC1 ZINC000100178005 384283540 /nfs/dbraw/zinc/28/35/40/384283540.db2.gz GVNQGHAYNYPCDX-PHIMTYICSA-N 1 1 240.347 1.408 40 0 BDABMO C[C@H]([NH3+])c1nc(-c2ccc(O)cc2)n[nH]1 ZINC000061843914 384383184 /nfs/dbraw/zinc/38/31/84/384383184.db2.gz ULNOECSBYOKOHC-LURJTMIESA-N 1 1 204.233 1.197 40 0 BDABMO CCOC[C@H]1c2c(ncn2C)CC[N@@H+]1CC1CC1 ZINC000096260282 384445787 /nfs/dbraw/zinc/44/57/87/384445787.db2.gz HITCERALPFOPJV-ZDUSSCGKSA-N 1 1 249.358 1.766 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)NCCc2ccccc2)C1 ZINC000078578391 384450201 /nfs/dbraw/zinc/45/02/01/384450201.db2.gz XWGAEGPDSXDLOY-CQSZACIVSA-N 1 1 246.354 1.687 40 0 BDABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccco3)CC2)N1 ZINC000096047435 384429262 /nfs/dbraw/zinc/42/92/62/384429262.db2.gz XXQFJNGEJZPGJL-AWEZNQCLSA-N 1 1 248.326 1.914 40 0 BDABMO Nc1ccc[nH+]c1N[C@H]1CC[C@@H](O)CC1 ZINC000238653005 384763376 /nfs/dbraw/zinc/76/33/76/384763376.db2.gz JWSBSKBWIYGLQV-KYZUINATSA-N 1 1 207.277 1.379 40 0 BDABMO CN(Cc1ccccn1)[C@@H]1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000104952895 384851291 /nfs/dbraw/zinc/85/12/91/384851291.db2.gz ZEFJJZJDPDVJSI-AEGPPILISA-N 1 1 245.370 1.902 40 0 BDABMO c1cn(CC[NH+]2CCOCC2)c2ccccc12 ZINC000039236229 384909846 /nfs/dbraw/zinc/90/98/46/384909846.db2.gz JKBSHWYEEAPKIN-UHFFFAOYSA-N 1 1 230.311 1.974 40 0 BDABMO CCCCNC(=S)N1CC[NH+](CC)CC1 ZINC000004216688 384939070 /nfs/dbraw/zinc/93/90/70/384939070.db2.gz ZEVDWNPEHIJDCR-UHFFFAOYSA-N 1 1 229.393 1.299 40 0 BDABMO Cc1ccc(C(=S)N2CC[NH+](C)CC2)cc1 ZINC000005968241 385052908 /nfs/dbraw/zinc/05/29/08/385052908.db2.gz ACWDBXLLPMKNKU-UHFFFAOYSA-N 1 1 234.368 1.918 40 0 BDABMO CC[C@@](C)([C@@H](CN)CO)[NH+]1CCCCC1 ZINC000072210358 385068010 /nfs/dbraw/zinc/06/80/10/385068010.db2.gz ILZQINXJZRKOEF-RYUDHWBXSA-N 1 1 214.353 1.208 40 0 BDABMO C=Cc1ccc(N2CCN(C=O)CC2)[nH+]c1C ZINC000072224736 385119984 /nfs/dbraw/zinc/11/99/84/385119984.db2.gz DMWGMLLKKPLGSJ-UHFFFAOYSA-N 1 1 231.299 1.311 40 0 BDABMO CC[C@@H]([NH3+])c1ccc(N2CCN(CC)CC2)nc1 ZINC000072225554 385122549 /nfs/dbraw/zinc/12/25/49/385122549.db2.gz GGUOOVJEERFBPA-CYBMUJFWSA-N 1 1 248.374 1.633 40 0 BDABMO Cc1[nH+]c(N(C)C)ccc1[C@H]1CCCN1C=O ZINC000072218728 385104942 /nfs/dbraw/zinc/10/49/42/385104942.db2.gz ZPJKDQXTMSQVME-GFCCVEGCSA-N 1 1 233.315 1.749 40 0 BDABMO CCS(=O)(=O)C[C@H]([NH3+])c1ccccc1F ZINC000096524755 385274450 /nfs/dbraw/zinc/27/44/50/385274450.db2.gz JFJJNAOKCNWUOB-JTQLQIEISA-N 1 1 231.292 1.260 40 0 BDABMO CCc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2CC)cc1 ZINC000096526060 385276869 /nfs/dbraw/zinc/27/68/69/385276869.db2.gz YRKHJPRRLUVKIE-NWDGAFQWSA-N 1 1 218.300 1.480 40 0 BDABMO CC[C@H]([C@H]([NH3+])c1ccccc1F)S(C)(=O)=O ZINC000096524892 385278272 /nfs/dbraw/zinc/27/82/72/385278272.db2.gz MZVSQCWMUMSRHL-GHMZBOCLSA-N 1 1 245.319 1.649 40 0 BDABMO c1ccc2c(c1)CNC[C@@H]2[NH+]1CCCC1 ZINC000020270307 385368636 /nfs/dbraw/zinc/36/86/36/385368636.db2.gz AEOIWUMKLYANOM-ZDUSSCGKSA-N 1 1 202.301 1.927 40 0 BDABMO Cc1c[nH]c([C@@H]2CCCN(c3ncccn3)C2)[nH+]1 ZINC000257319347 385765078 /nfs/dbraw/zinc/76/50/78/385765078.db2.gz VRZUIPJTCORZDX-LLVKDONJSA-N 1 1 243.314 1.892 40 0 BDABMO Cc1c2c(cc3c1C[N@H+](C)C[C@H]3O)OCO2 ZINC000261829925 385829931 /nfs/dbraw/zinc/82/99/31/385829931.db2.gz ZIUUMZBYKDVXQJ-SNVBAGLBSA-N 1 1 221.256 1.203 40 0 BDABMO Cc1c2c(cc3c1C[N@@H+](C)C[C@H]3O)OCO2 ZINC000261829925 385829933 /nfs/dbraw/zinc/82/99/33/385829933.db2.gz ZIUUMZBYKDVXQJ-SNVBAGLBSA-N 1 1 221.256 1.203 40 0 BDABMO c1nc2n(c1CN1CCCCC1)CC[NH2+]CC2 ZINC000306138700 385992572 /nfs/dbraw/zinc/99/25/72/385992572.db2.gz SERPHXLRFSNECG-UHFFFAOYSA-N 1 1 234.347 1.015 40 0 BDABMO Fc1ccc2c(c1)[C@@]1(CCO2)COCC[NH2+]1 ZINC000306145780 385994273 /nfs/dbraw/zinc/99/42/73/385994273.db2.gz PVXLTOKPMGMARN-GFCCVEGCSA-N 1 1 223.247 1.423 40 0 BDABMO C[NH2+][C@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000037869965 386104596 /nfs/dbraw/zinc/10/45/96/386104596.db2.gz NXKSOKIBHWIFJF-QMMMGPOBSA-N 1 1 233.098 1.739 40 0 BDABMO C[NH2+][C@@H](C(N)=O)c1ccc(Cl)cc1Cl ZINC000037869966 386105086 /nfs/dbraw/zinc/10/50/86/386105086.db2.gz NXKSOKIBHWIFJF-MRVPVSSYSA-N 1 1 233.098 1.739 40 0 BDABMO C[NH2+][C@@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000037869854 386105496 /nfs/dbraw/zinc/10/54/96/386105496.db2.gz QHBCCYJZPRPRAK-MRVPVSSYSA-N 1 1 233.098 1.739 40 0 BDABMO CO[C@@H]1Cn2nccc2C[N@H+](C2CCCC2)C1 ZINC000247834581 386734370 /nfs/dbraw/zinc/73/43/70/386734370.db2.gz IOPGONIETHSFCO-ZDUSSCGKSA-N 1 1 235.331 1.656 40 0 BDABMO COc1ccccc1[C@@H]1C[N@@H+](C)C[C@H]1CO ZINC000242648366 386949970 /nfs/dbraw/zinc/94/99/70/386949970.db2.gz QUNRHFORAMKQMF-CMPLNLGQSA-N 1 1 221.300 1.333 40 0 BDABMO CC[NH+](CC)c1ccc(N)cc1-n1cnnc1 ZINC000070461812 387068614 /nfs/dbraw/zinc/06/86/14/387068614.db2.gz VBHGULGVCVVQEV-UHFFFAOYSA-N 1 1 231.303 1.696 40 0 BDABMO CCCn1nccc1C[NH2+]Cc1cc(C)nn1C ZINC000256050711 387858725 /nfs/dbraw/zinc/85/87/25/387858725.db2.gz GEYKJSVEFNLSOU-UHFFFAOYSA-N 1 1 247.346 1.625 40 0 BDABMO CN1CCC[N@@H+](C[C@H]2Cc3ccccc3N2)CC1 ZINC000250561890 388681695 /nfs/dbraw/zinc/68/16/95/388681695.db2.gz CQTKEIKVJHTPFH-CQSZACIVSA-N 1 1 245.370 1.661 40 0 BDABMO C[N@@H+]1CCCN(C[C@H]2Cc3ccccc3N2)CC1 ZINC000250561890 388681697 /nfs/dbraw/zinc/68/16/97/388681697.db2.gz CQTKEIKVJHTPFH-CQSZACIVSA-N 1 1 245.370 1.661 40 0 BDABMO C[N@H+]1CCCN(C[C@H]2Cc3ccccc3N2)CC1 ZINC000250561890 388681700 /nfs/dbraw/zinc/68/17/00/388681700.db2.gz CQTKEIKVJHTPFH-CQSZACIVSA-N 1 1 245.370 1.661 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1cccc(N2CCOCC2)n1 ZINC000072386614 132397158 /nfs/dbraw/zinc/39/71/58/132397158.db2.gz YXYKJCGTTODPQW-CYBMUJFWSA-N 1 1 247.342 1.685 40 0 BDABMO CN1C[C@@H]2C[N@@H+](CCO)C[C@H]2c2ccccc21 ZINC000096251749 132431668 /nfs/dbraw/zinc/43/16/68/132431668.db2.gz IZFGAEKZFDWYBP-DGCLKSJQSA-N 1 1 232.327 1.144 40 0 BDABMO CC[N@H+]1CC[C@@H](CNc2ccnc(Cl)n2)C1 ZINC000038579683 170009297 /nfs/dbraw/zinc/00/92/97/170009297.db2.gz ZTEHEZPIXNFRBQ-VIFPVBQESA-N 1 1 240.738 1.884 40 0 BDABMO CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000257291218 170100999 /nfs/dbraw/zinc/10/09/99/170100999.db2.gz QGDROGIHXCFWDY-GFCCVEGCSA-N 1 1 233.315 1.598 40 0 BDABMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)COC ZINC000222978866 171607185 /nfs/dbraw/zinc/60/71/85/171607185.db2.gz WEFGVHATJIWALR-LBPRGKRZSA-N 1 1 242.363 1.404 40 0 BDABMO CCn1cccc1-c1noc([C@@H](C)[NH3+])n1 ZINC000328579760 172203443 /nfs/dbraw/zinc/20/34/43/172203443.db2.gz ZVZILKMZVDBKJG-SSDOTTSWSA-N 1 1 206.249 1.578 40 0 BDABMO CN(C)C(=O)Oc1ccc([C@@H]2CCC[N@H+]2C)cn1 ZINC000001695369 172382459 /nfs/dbraw/zinc/38/24/59/172382459.db2.gz WWJUDKWORQNUFC-NSHDSACASA-N 1 1 249.314 1.909 40 0 BDABMO CN(C)Cc1cnc(CC2CC[NH2+]CC2)cn1 ZINC000257234795 172506188 /nfs/dbraw/zinc/50/61/88/172506188.db2.gz GVCVMJREUOYSHF-UHFFFAOYSA-N 1 1 234.347 1.080 40 0 BDABMO CN(C)c1ccc([C@@H]2CCC[N@@H+](C)C2)nc1 ZINC000072381235 173023105 /nfs/dbraw/zinc/02/31/05/173023105.db2.gz HAMYRKUTYKMWNY-LLVKDONJSA-N 1 1 219.332 1.957 40 0 BDABMO C[N@H+]1CCC[C@@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257262438 173023405 /nfs/dbraw/zinc/02/34/05/173023405.db2.gz LLKJTBYRDXWJDG-SNVBAGLBSA-N 1 1 243.314 1.676 40 0 BDABMO C[N@H+]1CCC[C@@H]1CCNC(=O)OC(C)(C)C ZINC000016697178 173027089 /nfs/dbraw/zinc/02/70/89/173027089.db2.gz QEVQEWQGMDZNTH-SNVBAGLBSA-N 1 1 228.336 1.995 40 0 BDABMO C[N@H+]1CCC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072370017 173048514 /nfs/dbraw/zinc/04/85/14/173048514.db2.gz KEYBQITYLHAWBF-QMMMGPOBSA-N 1 1 217.276 1.162 40 0 BDABMO C[N@H+]1CC[C@]2(C1)C[C@H](Nc1ccccn1)CCO2 ZINC000096206548 173142087 /nfs/dbraw/zinc/14/20/87/173142087.db2.gz NLSVDFSDMKQQBJ-TZMCWYRMSA-N 1 1 247.342 1.747 40 0 BDABMO C[N@H+]1CC[C@H](c2nc3ccccc3[nH]2)C1 ZINC000049169053 173157090 /nfs/dbraw/zinc/15/70/90/173157090.db2.gz XUKNBMXUAXNTQT-VIFPVBQESA-N 1 1 201.273 1.982 40 0 biogenic,in-vitro BDABMO C[N@@H+]1C[C@@H](c2cccc(Cl)c2)[C@H](CO)C1 ZINC000217672861 173183481 /nfs/dbraw/zinc/18/34/81/173183481.db2.gz GXCBTASVJFFRNX-JQWIXIFHSA-N 1 1 225.719 1.978 40 0 BDABMO COc1ccc(C)cc1CNCC[NH+](C)C ZINC000035161788 175075927 /nfs/dbraw/zinc/07/59/27/175075927.db2.gz HJNIXWHOOYEETN-UHFFFAOYSA-N 1 1 222.332 1.655 40 0 BDABMO COc1ccc(C[C@@H]([NH3+])C(=O)OC(C)C)cc1 ZINC000005963052 175115642 /nfs/dbraw/zinc/11/56/42/175115642.db2.gz YTYXUUPZGLLBET-GFCCVEGCSA-N 1 1 237.299 1.517 40 0 BDABMO COc1ccc(F)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000038539908 175124478 /nfs/dbraw/zinc/12/44/78/175124478.db2.gz LOKFOJFUQSOJGZ-LLVKDONJSA-N 1 1 239.290 1.791 40 0 BDABMO COc1ccc(F)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000038539908 175124481 /nfs/dbraw/zinc/12/44/81/175124481.db2.gz LOKFOJFUQSOJGZ-LLVKDONJSA-N 1 1 239.290 1.791 40 0 BDABMO COc1cccc([C@H]([NH3+])c2ncccn2)c1 ZINC000037467206 175294637 /nfs/dbraw/zinc/29/46/37/175294637.db2.gz WIHBQXORYKGIRT-NSHDSACASA-N 1 1 215.256 1.533 40 0 BDABMO C[C@@H]([C@H]([NH3+])c1ccccc1F)S(C)(=O)=O ZINC000096524783 176012273 /nfs/dbraw/zinc/01/22/73/176012273.db2.gz QXIPBQJHLJBOJM-XVKPBYJWSA-N 1 1 231.292 1.259 40 0 BDABMO C[C@@H]1CN(CCO)CC[N@H+]1Cc1ccccc1 ZINC000022584223 176292003 /nfs/dbraw/zinc/29/20/03/176292003.db2.gz GAWXNKFHKLHGTA-CYBMUJFWSA-N 1 1 234.343 1.185 40 0 BDABMO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccccc1 ZINC000022584223 176292005 /nfs/dbraw/zinc/29/20/05/176292005.db2.gz GAWXNKFHKLHGTA-CYBMUJFWSA-N 1 1 234.343 1.185 40 0 BDABMO C[C@@H]1C[N@@H+](CCO)CCN1Cc1ccccc1 ZINC000022584223 176292006 /nfs/dbraw/zinc/29/20/06/176292006.db2.gz GAWXNKFHKLHGTA-CYBMUJFWSA-N 1 1 234.343 1.185 40 0 BDABMO CC[N@@H+](CC(=O)[O-])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000247953328 520380325 /nfs/dbraw/zinc/38/03/25/520380325.db2.gz CLXOCZUNMRRRHZ-XYPYZODXSA-N 1 1 228.336 1.266 40 0 BDABMO CC[N@H+]1CCC[C@H](c2cc(CCO)n[nH]2)C1 ZINC000072383161 343979958 /nfs/dbraw/zinc/97/99/58/343979958.db2.gz HCVRAZGEMKDLIT-JTQLQIEISA-N 1 1 223.320 1.144 40 0 BDABMO CC[N@@H+]1CCC[C@H](c2cc(CCO)[nH]n2)C1 ZINC000072383161 343979960 /nfs/dbraw/zinc/97/99/60/343979960.db2.gz HCVRAZGEMKDLIT-JTQLQIEISA-N 1 1 223.320 1.144 40 0 BDABMO CC[N@H+]1CCC[C@H](c2cc(CCO)[nH]n2)C1 ZINC000072383161 343979961 /nfs/dbraw/zinc/97/99/61/343979961.db2.gz HCVRAZGEMKDLIT-JTQLQIEISA-N 1 1 223.320 1.144 40 0 BDABMO Cc1cc(N(C)C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072381300 178096013 /nfs/dbraw/zinc/09/60/13/178096013.db2.gz ZHRWRJLSTAJRJT-LLVKDONJSA-N 1 1 234.347 1.660 40 0 BDABMO Cc1ccc(-c2n[nH]c(SCC[NH3+])n2)cc1 ZINC000224978904 178340517 /nfs/dbraw/zinc/34/05/17/178340517.db2.gz LITBXVQDUGEXBB-UHFFFAOYSA-N 1 1 234.328 1.831 40 0 BDABMO Cc1ccc(C(=O)N2CC[NH+](C)CC2)c(C)c1 ZINC000005968009 178391671 /nfs/dbraw/zinc/39/16/71/178391671.db2.gz FZERRSDRXUDPCZ-UHFFFAOYSA-N 1 1 232.327 1.691 40 0 BDABMO CC(C)(C)[C@H](NO)[C@@H](O)[NH+]1CCCCC1 ZINC000001704719 342710280 /nfs/dbraw/zinc/71/02/80/342710280.db2.gz UXUMECWATOLKFW-NXEZZACHSA-N 1 1 216.325 1.184 40 0 BDABMO C[N@@H+](CCO)C1CC(C)(C)N(O)C(C)(C)C1 ZINC000005664590 342768236 /nfs/dbraw/zinc/76/82/36/342768236.db2.gz KIGULAIUUVDROS-UHFFFAOYSA-N 1 1 230.352 1.321 40 0 BDABMO Fc1cccc(C[C@@H]2C[N@H+]3CCC[C@H]3CN2)c1 ZINC000039957315 361908750 /nfs/dbraw/zinc/90/87/50/361908750.db2.gz UILPXBJQYNEVFD-KGLIPLIRSA-N 1 1 234.318 1.804 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@@H]1c1ccccc1Cl ZINC000072228277 259322646 /nfs/dbraw/zinc/32/26/46/259322646.db2.gz PWOBDSLRPMOWOO-BDAKNGLRSA-N 1 1 210.664 1.180 40 0 BDABMO COC[C@@H]1C[N@@H+](CC2CC2)Cc2cn(C)nc21 ZINC000096059820 398312285 /nfs/dbraw/zinc/31/22/85/398312285.db2.gz ZNSVCIBWJJIJLQ-LBPRGKRZSA-N 1 1 235.331 1.376 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217668895 398322912 /nfs/dbraw/zinc/32/29/12/398322912.db2.gz QOISGXDCUJFTKH-NEPJUHHUSA-N 1 1 234.299 1.087 40 0 BDABMO CC(=O)N[C@@H]1CCCC[C@H]1[N@H+](CCO)C(C)C ZINC000169676203 398342225 /nfs/dbraw/zinc/34/22/25/398342225.db2.gz KFMFJKAQLUCOSW-CHWSQXEVSA-N 1 1 242.363 1.136 40 0 BDABMO CC[N@@H+]1CC=C(c2nn3cnnc3s2)CC1 ZINC000073636207 343357569 /nfs/dbraw/zinc/35/75/69/343357569.db2.gz OSHLWHNJSYVZPZ-UHFFFAOYSA-N 1 1 235.316 1.295 40 0 BDABMO COC(=O)[C@@]1([NH3+])CCc2ccccc2C1 ZINC000037460400 343345974 /nfs/dbraw/zinc/34/59/74/343345974.db2.gz YTHRSEHMUAHYOU-GFCCVEGCSA-N 1 1 205.257 1.046 40 0 BDABMO CN(C)CCC[NH2+]CCC(=O)OC(C)(C)C ZINC000047218976 343559101 /nfs/dbraw/zinc/55/91/01/343559101.db2.gz ZKRCBBNCPZPAKW-UHFFFAOYSA-N 1 1 230.352 1.260 40 0 BDABMO C[C@H](C[NH2+]CCCN(C)C)C(=O)OC(C)(C)C ZINC000047219093 343559656 /nfs/dbraw/zinc/55/96/56/343559656.db2.gz NAZHXTMMFSTLLN-LLVKDONJSA-N 1 1 244.379 1.506 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1ccc(F)cc1 ZINC000096526088 343759985 /nfs/dbraw/zinc/75/99/85/343759985.db2.gz AWZVEGRETJWOBS-NXEZZACHSA-N 1 1 208.236 1.056 40 0 BDABMO Cn1cnc2c1C[C@@H](CO)[N@H+](C1CCCC1)C2 ZINC000585095020 344129698 /nfs/dbraw/zinc/12/96/98/344129698.db2.gz ZZCNJRIQESYXOS-NSHDSACASA-N 1 1 235.331 1.082 40 0 BDABMO OC[C@@H]1CCn2nccc2C[N@H+]1C1CCCC1 ZINC000585097849 344130780 /nfs/dbraw/zinc/13/07/80/344130780.db2.gz RVCURRPSLNHMHP-ZDUSSCGKSA-N 1 1 235.331 1.392 40 0 BDABMO CN1C(=O)CC[C@]12CCC[N@@H+](CC1CC1)CC2 ZINC000585100530 344131143 /nfs/dbraw/zinc/13/11/43/344131143.db2.gz MMINCPIHVJDQAC-AWEZNQCLSA-N 1 1 236.359 1.873 40 0 BDABMO Cc1cc(C(=O)N2CCC[C@]3(CC[N@@H+]3C)C2)no1 ZINC000585101713 344132502 /nfs/dbraw/zinc/13/25/02/344132502.db2.gz ATHXGAQKPVMOOY-ZDUSSCGKSA-N 1 1 249.314 1.293 40 0 BDABMO O=C1CC[C@@]2(CCC[N@H+](Cc3cc[nH]n3)C2)O1 ZINC000585282217 344401756 /nfs/dbraw/zinc/40/17/56/344401756.db2.gz BUIDITSKVMHGOR-GFCCVEGCSA-N 1 1 235.287 1.081 40 0 BDABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3cc[nH]n3)C2)O1 ZINC000585282217 344401760 /nfs/dbraw/zinc/40/17/60/344401760.db2.gz BUIDITSKVMHGOR-GFCCVEGCSA-N 1 1 235.287 1.081 40 0 BDABMO COc1ccc(C(=O)C[NH3+])cc1SC ZINC000257979368 344446587 /nfs/dbraw/zinc/44/65/87/344446587.db2.gz DXCIRDMZMVHHIS-UHFFFAOYSA-N 1 1 211.286 1.559 40 0 BDABMO Cc1cccc(CN2C[C@H]3C[C@@]3(C[NH3+])C2)c1 ZINC000216531062 179085087 /nfs/dbraw/zinc/08/50/87/179085087.db2.gz CNRWJJZHBABOCP-ZIAGYGMSSA-N 1 1 216.328 1.776 40 0 BDABMO CO[C@@H](C(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000008091773 346670504 /nfs/dbraw/zinc/67/05/04/346670504.db2.gz BXQPJMWMWQBTEA-CYBMUJFWSA-N 1 1 248.326 1.148 40 0 BDABMO CC(C)[N@H+](C)[C@@H]1CCCC[C@H]1NCCO ZINC000101676558 347287267 /nfs/dbraw/zinc/28/72/67/347287267.db2.gz BKJJZGNQAKTVIZ-VXGBXAGGSA-N 1 1 214.353 1.220 40 0 BDABMO CC(C)[N@@H+](C)[C@@H]1CCCC[C@H]1NCCO ZINC000101676558 347287269 /nfs/dbraw/zinc/28/72/69/347287269.db2.gz BKJJZGNQAKTVIZ-VXGBXAGGSA-N 1 1 214.353 1.220 40 0 BDABMO O=C(c1ccncc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932758 347892036 /nfs/dbraw/zinc/89/20/36/347892036.db2.gz UTTQDQXGZNYMLV-LBPRGKRZSA-N 1 1 231.299 1.002 40 0 BDABMO Cc1nc2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2[nH]1 ZINC000062114009 180081831 /nfs/dbraw/zinc/08/18/31/180081831.db2.gz KJDHOGVMLQRYFL-SECBINFHSA-N 1 1 244.298 1.419 40 0 BDABMO Cc1ncnc2c1CC[N@@H+](CC(C)C)CC2 ZINC000096254989 180291391 /nfs/dbraw/zinc/29/13/91/180291391.db2.gz PBUUTHBJVXWJEM-UHFFFAOYSA-N 1 1 219.332 1.842 40 0 BDABMO CC(=O)NC1CCC([N@H+](CCN)C(C)C)CC1 ZINC000079405686 187601418 /nfs/dbraw/zinc/60/14/18/187601418.db2.gz GDNVSMPNPIXIRI-UHFFFAOYSA-N 1 1 241.379 1.103 40 0 BDABMO CC(C)[N@H+](CCO)[C@H](C)c1nccs1 ZINC000079436085 188292285 /nfs/dbraw/zinc/29/22/85/188292285.db2.gz ZOVCTIRFHIFLAW-SECBINFHSA-N 1 1 214.334 1.907 40 0 BDABMO CC(C)[N@@H+](CCO)[C@H](C)c1nccs1 ZINC000079436085 188292287 /nfs/dbraw/zinc/29/22/87/188292287.db2.gz ZOVCTIRFHIFLAW-SECBINFHSA-N 1 1 214.334 1.907 40 0 BDABMO CC(C)[N@@H+](CC(=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000083318583 188295517 /nfs/dbraw/zinc/29/55/17/188295517.db2.gz YDLXGVNHGPLXOK-LLVKDONJSA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[N@H+](CC(=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000083318583 188295518 /nfs/dbraw/zinc/29/55/18/188295518.db2.gz YDLXGVNHGPLXOK-LLVKDONJSA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[NH+](CC(=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000083318583 188295519 /nfs/dbraw/zinc/29/55/19/188295519.db2.gz YDLXGVNHGPLXOK-LLVKDONJSA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[NH+](CC(=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000083318583 188295520 /nfs/dbraw/zinc/29/55/20/188295520.db2.gz YDLXGVNHGPLXOK-LLVKDONJSA-N 1 1 228.336 1.123 40 0 BDABMO CCc1ccc2c(C3CN(C(C)=O)C3)[nH+]cn2c1 ZINC000096260731 188320993 /nfs/dbraw/zinc/32/09/93/188320993.db2.gz KOCUXEJWHYXZAL-UHFFFAOYSA-N 1 1 243.310 1.842 40 0 BDABMO C[N@H+]1CCC[C@@H](CO)[C@@H]1c1cccnc1 ZINC000096515817 188321038 /nfs/dbraw/zinc/32/10/38/188321038.db2.gz PEGYGTJMLPKERQ-RYUDHWBXSA-N 1 1 206.289 1.457 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)NCc2ccncc2)C1 ZINC000081225862 188312290 /nfs/dbraw/zinc/31/22/90/188312290.db2.gz UODXXLHXBJBJOX-GFCCVEGCSA-N 1 1 233.315 1.040 40 0 BDABMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccco1 ZINC000054602962 363506475 /nfs/dbraw/zinc/50/64/75/363506475.db2.gz BBOVLYSNYGBTCQ-AOOOYVTPSA-N 1 1 205.257 1.976 40 0 BDABMO C[C@H](O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000165049106 368352449 /nfs/dbraw/zinc/35/24/49/368352449.db2.gz RDPBSGJIEIFTMG-AAEUAGOBSA-N 1 1 221.300 1.268 40 0 BDABMO C[C@H](O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000165049106 368352452 /nfs/dbraw/zinc/35/24/52/368352452.db2.gz RDPBSGJIEIFTMG-AAEUAGOBSA-N 1 1 221.300 1.268 40 0 BDABMO CC(C)[N@H+]1CC[C@@H](c2ccnc3nccn32)C1 ZINC000205697231 368357751 /nfs/dbraw/zinc/35/77/51/368357751.db2.gz MZFAZCPNRNEPSO-LLVKDONJSA-N 1 1 230.315 1.927 40 0 BDABMO Cc1ccnc([C@H]2CC[N@H+](C3CCOCC3)C2)n1 ZINC000205694524 368358203 /nfs/dbraw/zinc/35/82/03/368358203.db2.gz KKDGWUWEHBQSKJ-LBPRGKRZSA-N 1 1 247.342 1.753 40 0 BDABMO NC(=O)c1cnc([C@@H]2CCCC[NH2+]2)s1 ZINC000205695279 368358350 /nfs/dbraw/zinc/35/83/50/368358350.db2.gz BEWFZDUWERKFII-LURJTMIESA-N 1 1 211.290 1.057 40 0 BDABMO CN(C)C(=O)C[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000205701038 368359849 /nfs/dbraw/zinc/35/98/49/368359849.db2.gz ZVUDSIYLERMVKA-GFCCVEGCSA-N 1 1 247.342 1.349 40 0 BDABMO OCc1cc([C@H]2CCC[N@H+]2C2CCCC2)[nH]n1 ZINC000205701567 368359969 /nfs/dbraw/zinc/35/99/69/368359969.db2.gz XKJJUHHISNMSDL-CYBMUJFWSA-N 1 1 235.331 1.982 40 0 BDABMO COC(=O)[C@@]1(F)CC[N@H+](Cc2ccccc2)C1 ZINC000078624144 368424109 /nfs/dbraw/zinc/42/41/09/368424109.db2.gz UQMVXIDFYRQQIS-CYBMUJFWSA-N 1 1 237.274 1.774 40 0 BDABMO COC(=O)[C@@]1(F)CC[N@@H+](Cc2ccccc2)C1 ZINC000078624144 368424111 /nfs/dbraw/zinc/42/41/11/368424111.db2.gz UQMVXIDFYRQQIS-CYBMUJFWSA-N 1 1 237.274 1.774 40 0 BDABMO [NH3+][C@@H]1C(=O)N(C2CC2)[C@H]1c1ccccc1 ZINC000108314018 369387911 /nfs/dbraw/zinc/38/79/11/369387911.db2.gz PDMGDLUPZXULNF-QWRGUYRKSA-N 1 1 202.257 1.060 40 0 BDABMO [NH3+][C@H]1C(=O)N(C2CC2)[C@H]1c1ccccc1 ZINC000108314026 369388319 /nfs/dbraw/zinc/38/83/19/369388319.db2.gz PDMGDLUPZXULNF-MNOVXSKESA-N 1 1 202.257 1.060 40 0 BDABMO C[N@H+]1CCC[C@@H](CO)[C@H]1c1cccnc1 ZINC000110754795 369975534 /nfs/dbraw/zinc/97/55/34/369975534.db2.gz PEGYGTJMLPKERQ-NWDGAFQWSA-N 1 1 206.289 1.457 40 0 BDABMO CN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1cccc(N)c1 ZINC000242463420 259543529 /nfs/dbraw/zinc/54/35/29/259543529.db2.gz DANXGDIJIYQMCE-QWHCGFSZSA-N 1 1 247.342 1.002 40 0 BDABMO COC(=O)[C@@]1([NH3+])CCc2cc(OC)ccc2C1 ZINC000002527130 371569953 /nfs/dbraw/zinc/56/99/53/371569953.db2.gz SYPVNCVANKJJSI-CYBMUJFWSA-N 1 1 235.283 1.054 40 0 BDABMO CO[C@@]12COC(=O)[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000002547043 371578254 /nfs/dbraw/zinc/57/82/54/371578254.db2.gz HOJNYORDDSEUCZ-JSGCOSHPSA-N 1 1 247.294 1.060 40 0 BDABMO O=C(c1cnc[nH]1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257325178 182647586 /nfs/dbraw/zinc/64/75/86/182647586.db2.gz WRUQDSCBNJKMAA-GHMZBOCLSA-N 1 1 248.330 1.014 40 0 BDABMO OC1[C@H]2COC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000072266349 183032184 /nfs/dbraw/zinc/03/21/84/183032184.db2.gz FCQHVMVLHYLCFT-PBWFPOADSA-N 1 1 233.311 1.126 40 0 BDABMO OCC[N@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000072381323 183074858 /nfs/dbraw/zinc/07/48/58/183074858.db2.gz BTTSYNKLEYNRJC-LLVKDONJSA-N 1 1 206.289 1.253 40 0 BDABMO OCCn1cc(NC2=[NH+]CCCCC2)cn1 ZINC000217813369 183103311 /nfs/dbraw/zinc/10/33/11/183103311.db2.gz XTHKDLNTBUMBNN-UHFFFAOYSA-N 1 1 222.292 1.260 40 0 BDABMO O[C@@H]1C[NH2+]CC[C@]12CCC[N@H+]2Cc1ccccc1 ZINC000257298306 183207685 /nfs/dbraw/zinc/20/76/85/183207685.db2.gz RLDJWVWHQRDLQE-HUUCEWRRSA-N 1 1 246.354 1.375 40 0 BDABMO O[C@@H]1CNCC[C@]12CCC[N@@H+]2Cc1ccccc1 ZINC000257298306 183207687 /nfs/dbraw/zinc/20/76/87/183207687.db2.gz RLDJWVWHQRDLQE-HUUCEWRRSA-N 1 1 246.354 1.375 40 0 BDABMO O[C@@H]1CNCC[C@]12CCC[N@H+]2Cc1ccccc1 ZINC000257298306 183207690 /nfs/dbraw/zinc/20/76/90/183207690.db2.gz RLDJWVWHQRDLQE-HUUCEWRRSA-N 1 1 246.354 1.375 40 0 BDABMO O[C@H]1CC[N@@H+](Cc2ccncc2)C[C@@]12CCCO2 ZINC000257218567 183240474 /nfs/dbraw/zinc/24/04/74/183240474.db2.gz DDPAJDRDUDFUBM-KBPBESRZSA-N 1 1 248.326 1.197 40 0 BDABMO O[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@]12CCCO2 ZINC000257276065 183243661 /nfs/dbraw/zinc/24/36/61/183243661.db2.gz NSFSBCGIFPBYJW-GJZGRUSLSA-N 1 1 247.338 1.802 40 0 BDABMO c1cc(-c2nnc([C@@H]3CCC[NH2+]C3)[nH]2)ccn1 ZINC000012114036 183330285 /nfs/dbraw/zinc/33/02/85/183330285.db2.gz KPQZYPQCVHROHD-SNVBAGLBSA-N 1 1 229.287 1.334 40 0 BDABMO CCC[N@H+]1CCc2[nH]c(=S)ncc2C1 ZINC000049474155 169209446 /nfs/dbraw/zinc/20/94/46/169209446.db2.gz QHXZUUZGQZBNCK-UHFFFAOYSA-N 1 1 209.318 1.533 40 0 BDABMO c1cc2nc(C3CC[NH2+]CC3)[nH]c2cn1 ZINC000019763588 183377081 /nfs/dbraw/zinc/37/70/81/183377081.db2.gz WDEVWLXKLCSSAA-UHFFFAOYSA-N 1 1 202.261 1.425 40 0 BDABMO c1cc2[nH]c(C3CC[NH2+]CC3)nc2cn1 ZINC000019763588 183377083 /nfs/dbraw/zinc/37/70/83/183377083.db2.gz WDEVWLXKLCSSAA-UHFFFAOYSA-N 1 1 202.261 1.425 40 0 BDABMO c1ccc(-c2n[nH]c([C@H]3CCC[NH2+]3)n2)cc1 ZINC000042013530 183381957 /nfs/dbraw/zinc/38/19/57/183381957.db2.gz QCEJBMDFLLICFF-SNVBAGLBSA-N 1 1 214.272 1.896 40 0 BDABMO COC(=O)[C@]1([NH3+])CCc2ccccc2C1 ZINC000037460399 383978669 /nfs/dbraw/zinc/97/86/69/383978669.db2.gz YTHRSEHMUAHYOU-LBPRGKRZSA-N 1 1 205.257 1.046 40 0 BDABMO [NH3+]Cc1nc(-c2ccccc2OC(F)F)no1 ZINC000089262314 383954677 /nfs/dbraw/zinc/95/46/77/383954677.db2.gz WRWZDGBZSREGFI-UHFFFAOYSA-N 1 1 241.197 1.797 40 0 BDABMO CCCC[N@H+](CC)C[C@@H](O)CNC1CC1 ZINC000034978517 384009325 /nfs/dbraw/zinc/00/93/25/384009325.db2.gz HFRCFHDXTUFJHP-LBPRGKRZSA-N 1 1 214.353 1.221 40 0 BDABMO CCCC[N@@H+](CC)C[C@@H](O)CNC1CC1 ZINC000034978517 384009334 /nfs/dbraw/zinc/00/93/34/384009334.db2.gz HFRCFHDXTUFJHP-LBPRGKRZSA-N 1 1 214.353 1.221 40 0 BDABMO O=C1OCC[C@]12CC[N@@H+](Cc1ccccc1)C2 ZINC000004203333 384044737 /nfs/dbraw/zinc/04/47/37/384044737.db2.gz QPZOFKOCEPRLRF-AWEZNQCLSA-N 1 1 231.295 1.826 40 0 BDABMO CC(C)[N@@H+](CCO)Cc1cnc(Cl)s1 ZINC000079421960 384142011 /nfs/dbraw/zinc/14/20/11/384142011.db2.gz DORUUVIHVDAZRJ-UHFFFAOYSA-N 1 1 234.752 1.999 40 0 BDABMO C[N@@H+](C1CC1)C1CCC([NH2+]CC(=O)[O-])CC1 ZINC000079419809 384144988 /nfs/dbraw/zinc/14/49/88/384144988.db2.gz MLOAZEOHZUISAY-UHFFFAOYSA-N 1 1 226.320 1.066 40 0 BDABMO Cc1ccc2c(c1)c1nc[nH+]c(NN)c1n2C ZINC000408712453 384180808 /nfs/dbraw/zinc/18/08/08/384180808.db2.gz INHPSCYZPVFANN-UHFFFAOYSA-N 1 1 227.271 1.716 40 0 BDABMO CN(C)c1cccc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072381357 384217798 /nfs/dbraw/zinc/21/77/98/384217798.db2.gz SKIAAXNECISOST-LBPRGKRZSA-N 1 1 249.358 1.319 40 0 BDABMO Cc1c(-c2noc(C[NH3+])n2)c2ccccc2n1C ZINC000082550395 384313505 /nfs/dbraw/zinc/31/35/05/384313505.db2.gz JQEUMEHHXAKXRE-UHFFFAOYSA-N 1 1 242.282 1.995 40 0 BDABMO c1cnc(N2CC[C@]3(CC[N@@H+]3CC3CC3)C2)nc1 ZINC000096228662 384445761 /nfs/dbraw/zinc/44/57/61/384445761.db2.gz KGOIUMKRRVLMFK-AWEZNQCLSA-N 1 1 244.342 1.541 40 0 BDABMO COC[C@]12COC[C@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000096108624 384434285 /nfs/dbraw/zinc/43/42/85/384434285.db2.gz VBTRSPQNOCHCLK-TZMCWYRMSA-N 1 1 248.326 1.176 40 0 BDABMO C[N@H+]1CC[C@H]2[C@@H]1CCC(=O)N2c1ccccc1 ZINC000096186439 384439006 /nfs/dbraw/zinc/43/90/06/384439006.db2.gz XEJDPMBXKHAPSJ-STQMWFEESA-N 1 1 230.311 1.886 40 0 BDABMO CN(C)C[C@]12COC[C@H]1C[N@@H+](C1CCCC1)C2 ZINC000096217470 384442969 /nfs/dbraw/zinc/44/29/69/384442969.db2.gz NIKSBNPOQHBXIL-OCCSQVGLSA-N 1 1 238.375 1.439 40 0 BDABMO CN(C)C[C@]12COC[C@H]1C[N@H+](C1CCCC1)C2 ZINC000096217470 384442974 /nfs/dbraw/zinc/44/29/74/384442974.db2.gz NIKSBNPOQHBXIL-OCCSQVGLSA-N 1 1 238.375 1.439 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)NC2CCCC2)C1 ZINC000082303883 384663789 /nfs/dbraw/zinc/66/37/89/384663789.db2.gz DKYFMUSEJJXKKZ-SNVBAGLBSA-N 1 1 210.321 1.387 40 0 BDABMO C[N@H+]1CCC[C@H]1c1ccc(N2CCOCC2)nc1 ZINC000072216148 385092421 /nfs/dbraw/zinc/09/24/21/385092421.db2.gz RANFLFIXFQBPPO-ZDUSSCGKSA-N 1 1 247.342 1.685 40 0 BDABMO C[N@@H+]1CCC[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000026459740 385705234 /nfs/dbraw/zinc/70/52/34/385705234.db2.gz DRIGFTUOAYXPIK-ZIAGYGMSSA-N 1 1 216.328 1.968 40 0 BDABMO C[N@H+]1CCC[C@@H]1[C@@H]1NCCc2ccccc21 ZINC000026459740 385705240 /nfs/dbraw/zinc/70/52/40/385705240.db2.gz DRIGFTUOAYXPIK-ZIAGYGMSSA-N 1 1 216.328 1.968 40 0 BDABMO Cc1cc(C)nc([C@]2(C)CCC[N@@H+]2CCO)n1 ZINC000257241097 385754635 /nfs/dbraw/zinc/75/46/35/385754635.db2.gz HWPODWJPWMUYJI-ZDUSSCGKSA-N 1 1 235.331 1.397 40 0 BDABMO Cc1cc(C)nc([C@]2(C)CCC[N@H+]2CCO)n1 ZINC000257241097 385754639 /nfs/dbraw/zinc/75/46/39/385754639.db2.gz HWPODWJPWMUYJI-ZDUSSCGKSA-N 1 1 235.331 1.397 40 0 BDABMO Cc1n[nH]cc1C[N@@H+]1CCC[C@H]1c1ccncn1 ZINC000257272833 385757181 /nfs/dbraw/zinc/75/71/81/385757181.db2.gz NEBUDXGVAFQHNJ-ZDUSSCGKSA-N 1 1 243.314 1.845 40 0 BDABMO Cc1n[nH]cc1C[N@H+]1CCC[C@H]1c1ccncn1 ZINC000257272833 385757183 /nfs/dbraw/zinc/75/71/83/385757183.db2.gz NEBUDXGVAFQHNJ-ZDUSSCGKSA-N 1 1 243.314 1.845 40 0 BDABMO C[C@@H]([NH3+])CCN1CCN(Cc2ccccc2)CC1 ZINC000037608817 386082700 /nfs/dbraw/zinc/08/27/00/386082700.db2.gz HDAJSXZPZQWEHC-CQSZACIVSA-N 1 1 247.386 1.542 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@@H](c2cccc(Cl)c2)C1 ZINC000225609179 386672253 /nfs/dbraw/zinc/67/22/53/386672253.db2.gz GXCBTASVJFFRNX-ZYHUDNBSSA-N 1 1 225.719 1.978 40 0 BDABMO Fc1ccc2c(c1)n[nH]c2C1CC[NH2+]CC1 ZINC000329001315 386873152 /nfs/dbraw/zinc/87/31/52/386873152.db2.gz KDBPGMAKZWBGKL-JTQLQIEISA-N 1 1 219.263 1.836 40 0 BDABMO Fc1ccc2c(c1)n[nH]c2C1CC[NH2+]CC1 ZINC000329001317 386873773 /nfs/dbraw/zinc/87/37/73/386873773.db2.gz KDBPGMAKZWBGKL-SNVBAGLBSA-N 1 1 219.263 1.836 40 0 BDABMO Cn1cc(C[NH2+]Cc2ccnn2C(F)F)cn1 ZINC000256051593 387859372 /nfs/dbraw/zinc/85/93/72/387859372.db2.gz JTWCMYVXLCZTHQ-UHFFFAOYSA-N 1 1 241.245 1.302 40 0 BDABMO C[NH2+][C@H](CN)c1ccc(F)c(Br)c1 ZINC000050269869 387955529 /nfs/dbraw/zinc/95/55/29/387955529.db2.gz RBMGQIGSLPNJAN-SECBINFHSA-N 1 1 247.111 1.807 40 0 BDABMO C[NH2+][C@@H](CN)c1cccc(Br)c1 ZINC000050269850 387955663 /nfs/dbraw/zinc/95/56/63/387955663.db2.gz WPDPRPXAAYBHCN-VIFPVBQESA-N 1 1 229.121 1.668 40 0 BDABMO Cc1ccc(O[C@H]2C[C@@H]3CNCC[N@@H+]3C2)cc1 ZINC000107243942 388615915 /nfs/dbraw/zinc/61/59/15/388615915.db2.gz HBGDTJGRCMSULY-OCCSQVGLSA-N 1 1 232.327 1.420 40 0 BDABMO Cc1ccc(O[C@H]2C[C@@H]3CNCC[N@H+]3C2)cc1 ZINC000107243942 388615917 /nfs/dbraw/zinc/61/59/17/388615917.db2.gz HBGDTJGRCMSULY-OCCSQVGLSA-N 1 1 232.327 1.420 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@@H](c2ccccc2F)C1 ZINC000225608967 388838603 /nfs/dbraw/zinc/83/86/03/388838603.db2.gz XTRXJCILCOVILR-KOLCDFICSA-N 1 1 209.264 1.463 40 0 BDABMO Cc1cnn(C)c1C[NH2+]Cc1ccnn1C(C)C ZINC000256049642 398040712 /nfs/dbraw/zinc/04/07/12/398040712.db2.gz ATBUZZHAMWBYPM-UHFFFAOYSA-N 1 1 247.346 1.796 40 0 BDABMO CNc1ncc(C[NH2+]Cc2ccco2)cn1 ZINC000062717469 398055484 /nfs/dbraw/zinc/05/54/84/398055484.db2.gz GZDUXBBGFAKNKD-UHFFFAOYSA-N 1 1 218.260 1.401 40 0 BDABMO CC(C)OCCC[NH2+][C@@H]1CCC[C@H]1N ZINC000218873888 167224065 /nfs/dbraw/zinc/22/40/65/167224065.db2.gz ARDDYTTVTDFFBK-GHMZBOCLSA-N 1 1 200.326 1.271 40 0 BDABMO CCC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000017466966 168232225 /nfs/dbraw/zinc/23/22/25/168232225.db2.gz LDCQPTDRQJWLOD-RYUDHWBXSA-N 1 1 224.348 1.777 40 0 BDABMO CCNC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000073633244 170074677 /nfs/dbraw/zinc/07/46/77/170074677.db2.gz ZCVOKNKWDWOFAS-GFCCVEGCSA-N 1 1 233.315 1.362 40 0 BDABMO CCOCCC[NH2+][C@H]1CCCC[C@@H]1N ZINC000218855898 170383038 /nfs/dbraw/zinc/38/30/38/170383038.db2.gz MCYAFTKGZSEWLU-QWRGUYRKSA-N 1 1 200.326 1.273 40 0 BDABMO CCc1nnc([C@H]([NH3+])c2ccc(C)cc2)[nH]1 ZINC000095534156 172007637 /nfs/dbraw/zinc/00/76/37/172007637.db2.gz CQPWJHNDQXIQRD-LLVKDONJSA-N 1 1 216.288 1.724 40 0 BDABMO CCc1nnc([C@H]([NH3+])c2ccccc2)[nH]1 ZINC000048630908 172007738 /nfs/dbraw/zinc/00/77/38/172007738.db2.gz STMPUBBWSIQIRZ-SNVBAGLBSA-N 1 1 202.261 1.415 40 0 BDABMO CCn1cc(C[N@H+]2CCC[C@H](CO)C2)c(C)n1 ZINC000013568218 172164576 /nfs/dbraw/zinc/16/45/76/172164576.db2.gz PNEFHKBZMBIJTF-LBPRGKRZSA-N 1 1 237.347 1.416 40 0 BDABMO CCn1nccc1C[NH2+]Cc1ccco1 ZINC000020351280 172271403 /nfs/dbraw/zinc/27/14/03/172271403.db2.gz KDSBQMMMMKYZQE-UHFFFAOYSA-N 1 1 205.261 1.786 40 0 BDABMO CN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000257205443 172383595 /nfs/dbraw/zinc/38/35/95/172383595.db2.gz AZBHVQYNKXQCEH-ZDUSSCGKSA-N 1 1 247.342 1.524 40 0 BDABMO CN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000257205443 172383598 /nfs/dbraw/zinc/38/35/98/172383598.db2.gz AZBHVQYNKXQCEH-ZDUSSCGKSA-N 1 1 247.342 1.524 40 0 BDABMO C[N@H+]1CCC[C@@H](c2nccnc2-n2ccnc2)C1 ZINC000072350491 173023667 /nfs/dbraw/zinc/02/36/67/173023667.db2.gz FYLHNAPUXRZQEA-LLVKDONJSA-N 1 1 243.314 1.472 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)NC2CCCC2)C1 ZINC000082300915 173039852 /nfs/dbraw/zinc/03/98/52/173039852.db2.gz DKYFMUSEJJXKKZ-JTQLQIEISA-N 1 1 210.321 1.387 40 0 BDABMO C[N@@H+]1CCC[C@H]1[C@H]1NCCc2ccccc21 ZINC000022788813 173059602 /nfs/dbraw/zinc/05/96/02/173059602.db2.gz DRIGFTUOAYXPIK-KBPBESRZSA-N 1 1 216.328 1.968 40 0 BDABMO C[N@H+]1CCC[C@H]1[C@H]1NCCc2ccccc21 ZINC000022788813 173059603 /nfs/dbraw/zinc/05/96/03/173059603.db2.gz DRIGFTUOAYXPIK-KBPBESRZSA-N 1 1 216.328 1.968 40 0 BDABMO CN(C)c1cc(C[C@@H]2CC[N@@H+](C)C2)ncn1 ZINC000072381293 173118072 /nfs/dbraw/zinc/11/80/72/173118072.db2.gz VBTISXPZWRQJSQ-JTQLQIEISA-N 1 1 220.320 1.037 40 0 BDABMO COCC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000013425059 174062277 /nfs/dbraw/zinc/06/22/77/174062277.db2.gz HFNRVGNQFRTRRF-RYUDHWBXSA-N 1 1 241.331 1.441 40 0 BDABMO COc1ccc(C[N@H+]2CC[C@H](O)C2)cc1F ZINC000038538918 175102803 /nfs/dbraw/zinc/10/28/03/175102803.db2.gz LXOQGOMPHHZUHZ-JTQLQIEISA-N 1 1 225.263 1.401 40 0 BDABMO COc1ccc([C@H]2CN(C(C)=O)CC[NH2+]2)cc1 ZINC000072344370 175195497 /nfs/dbraw/zinc/19/54/97/175195497.db2.gz LGVUYQRZZSWTHM-CYBMUJFWSA-N 1 1 234.299 1.188 40 0 BDABMO COc1ccccc1[C@@H]1C[NH2+]CCN1C(C)=O ZINC000072344368 175349119 /nfs/dbraw/zinc/34/91/19/175349119.db2.gz GKDPBOICSFPARK-LBPRGKRZSA-N 1 1 234.299 1.188 40 0 BDABMO C[C@@H]1C(=O)NC[C@H]2C[N@H+](Cc3ccco3)C[C@H]21 ZINC000096066493 176047683 /nfs/dbraw/zinc/04/76/83/176047683.db2.gz IFQRIBJSXWFCSE-NHCYSSNCSA-N 1 1 234.299 1.094 40 0 BDABMO C[C@@H]1CCCC[N@H+]1Cc1cc(N)n(C)n1 ZINC000058083855 176073092 /nfs/dbraw/zinc/07/30/92/176073092.db2.gz FAUBRMXALMACSJ-SECBINFHSA-N 1 1 208.309 1.377 40 0 BDABMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCS(C)(=O)=O ZINC000001662145 177117686 /nfs/dbraw/zinc/11/76/86/177117686.db2.gz QDDWZQDPYLIPRD-AOOOYVTPSA-N 1 1 219.350 1.294 40 0 BDABMO C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccccn1 ZINC000072397523 177280432 /nfs/dbraw/zinc/28/04/32/177280432.db2.gz FYKVCSDPYMFQBU-JSGCOSHPSA-N 1 1 231.343 1.750 40 0 BDABMO Fc1ccc(CNC[C@@H]2CCC[NH2+]C2)cc1 ZINC000072202929 487994627 /nfs/dbraw/zinc/99/46/27/487994627.db2.gz HYXPZNWGOSZZQO-GFCCVEGCSA-N 1 1 222.307 1.915 40 0 BDABMO CCOCC[N@H+]1C[C@@H](O)C[C@@H]1C(C)C ZINC000217883757 584911619 /nfs/dbraw/zinc/91/16/19/584911619.db2.gz SYFIHBZJMLYIOZ-WDEREUQCSA-N 1 1 201.310 1.114 40 0 BDABMO CC(C)C[N@H+]1CCCC[C@H]1c1nncn1C ZINC000072383184 343980098 /nfs/dbraw/zinc/98/00/98/343980098.db2.gz JQFARRMAJBSLHV-NSHDSACASA-N 1 1 222.336 1.998 40 0 BDABMO CC(C)C[N@H+]1CC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000072361125 343980121 /nfs/dbraw/zinc/98/01/21/343980121.db2.gz OLZITVLWKIMNMW-SNVBAGLBSA-N 1 1 245.330 1.798 40 0 BDABMO Cc1cc(Nc2ccc3c(c2)OCO3)nc(N)[nH+]1 ZINC000043531866 178192583 /nfs/dbraw/zinc/19/25/83/178192583.db2.gz LBFRIPXXKQULOX-UHFFFAOYSA-N 1 1 244.254 1.840 40 0 BDABMO CC(C)(Cc1ccccc1)NC1=[NH+]CCO1 ZINC000001639249 342706949 /nfs/dbraw/zinc/70/69/49/342706949.db2.gz APRQMFJISQQHOT-UHFFFAOYSA-N 1 1 218.300 1.984 40 0 BDABMO COC(=O)[C@@H]1C[C@H](C)[N@H+]1C1CCCCC1 ZINC000005464844 342764269 /nfs/dbraw/zinc/76/42/69/342764269.db2.gz WDIDDUQBKWESQH-ONGXEEELSA-N 1 1 211.305 1.955 40 0 BDABMO Cc1cc(N)[nH+]cc1CNC(=O)OC(C)(C)C ZINC000072223076 259320964 /nfs/dbraw/zinc/32/09/64/259320964.db2.gz YXJQZUPWPPWERM-UHFFFAOYSA-N 1 1 237.303 1.997 40 0 BDABMO CC[NH+]1CCN(c2ccc(C=O)c(C)n2)CC1 ZINC000072224662 259321822 /nfs/dbraw/zinc/32/18/22/259321822.db2.gz PLMHIYVHOBHIJV-UHFFFAOYSA-N 1 1 233.315 1.344 40 0 BDABMO CCCc1ncc(C[N@H+]2CC[C@H](CO)C2)cn1 ZINC000019525728 342950846 /nfs/dbraw/zinc/95/08/46/342950846.db2.gz BXSKCKBJWTZMIM-NSHDSACASA-N 1 1 235.331 1.243 40 0 BDABMO C[C@@H](C[NH+]1CCNCC1)c1ccccc1 ZINC000040240930 343399063 /nfs/dbraw/zinc/39/90/63/343399063.db2.gz UTXHKQAZYGRDBA-LBPRGKRZSA-N 1 1 204.317 1.695 40 0 BDABMO CC[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCO)C1 ZINC000079414165 343400777 /nfs/dbraw/zinc/40/07/77/343400777.db2.gz VGMOOKQYMFPMTM-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO CCN(Cc1ccccc1)[C@@H]1CC[N@H+](CCO)C1 ZINC000079414165 343400779 /nfs/dbraw/zinc/40/07/79/343400779.db2.gz VGMOOKQYMFPMTM-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO CCN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079414165 343400780 /nfs/dbraw/zinc/40/07/80/343400780.db2.gz VGMOOKQYMFPMTM-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO C[NH2+][C@H](CN)c1ccc(C(F)(F)F)cc1 ZINC000050269831 259370046 /nfs/dbraw/zinc/37/00/46/259370046.db2.gz RLWOABABNDOCBI-SECBINFHSA-N 1 1 218.222 1.925 40 0 BDABMO Cc1ccc(CN2C[C@@H]3C[C@]3(C[NH3+])C2)cc1 ZINC000096509108 343754940 /nfs/dbraw/zinc/75/49/40/343754940.db2.gz KLKXQMSUZMOTNO-KBPBESRZSA-N 1 1 216.328 1.776 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccccc1Cl ZINC000096526029 343760107 /nfs/dbraw/zinc/76/01/07/343760107.db2.gz BDBXBHYBBKDUBT-UWVGGRQHSA-N 1 1 224.691 1.571 40 0 BDABMO Cn1cnc2c1C[C@H](CO)[N@H+](C1CCCC1)C2 ZINC000585095019 344129667 /nfs/dbraw/zinc/12/96/67/344129667.db2.gz ZZCNJRIQESYXOS-LLVKDONJSA-N 1 1 235.331 1.082 40 0 BDABMO COc1ccc([C@]23CCC(=O)N2CC[NH2+]3)cc1 ZINC000020503095 347518047 /nfs/dbraw/zinc/51/80/47/347518047.db2.gz DMHFLDYXTHEEOA-ZDUSSCGKSA-N 1 1 232.283 1.074 40 0 BDABMO Cc1ccccc1NC1=[NH+]C(C)(C)NC(=N)N1 ZINC000000203665 179305154 /nfs/dbraw/zinc/30/51/54/179305154.db2.gz BSBZXWIQLSREJM-UHFFFAOYSA-N 1 1 231.303 1.417 40 0 BDABMO Cc1cn2cc(Br)cc(N)c2[nH+]1 ZINC000036242437 179566310 /nfs/dbraw/zinc/56/63/10/179566310.db2.gz NSOVSVVWLOMLPQ-UHFFFAOYSA-N 1 1 226.077 1.987 40 0 BDABMO OC1(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)CCCCC1 ZINC000205689650 348576041 /nfs/dbraw/zinc/57/60/41/348576041.db2.gz GBJQDNYBYWBUBT-GFCCVEGCSA-N 1 1 249.358 1.894 40 0 BDABMO OC1(C[N@@H+]2CC[C@@H](c3ccn[nH]3)C2)CCCCC1 ZINC000205689650 348576043 /nfs/dbraw/zinc/57/60/43/348576043.db2.gz GBJQDNYBYWBUBT-GFCCVEGCSA-N 1 1 249.358 1.894 40 0 BDABMO OC1(C[N@H+]2CC[C@@H](c3ccn[nH]3)C2)CCCCC1 ZINC000205689650 348576045 /nfs/dbraw/zinc/57/60/45/348576045.db2.gz GBJQDNYBYWBUBT-GFCCVEGCSA-N 1 1 249.358 1.894 40 0 BDABMO [NH3+]CC(=O)c1cc(Br)ccc1F ZINC000083255734 191007126 /nfs/dbraw/zinc/00/71/26/191007126.db2.gz UOVCLYLOJJUURQ-UHFFFAOYSA-N 1 1 232.052 1.730 40 0 BDABMO Cc1nc2c(ncnc2NCC[NH+]2CCCC2)[nH]1 ZINC000072240937 180115629 /nfs/dbraw/zinc/11/56/29/180115629.db2.gz XCPQTBSGUOGORM-UHFFFAOYSA-N 1 1 246.318 1.169 40 0 BDABMO C[C@@H](O)CNc1[nH+]c2ccccc2n1C ZINC000000513008 363054797 /nfs/dbraw/zinc/05/47/97/363054797.db2.gz NOUJLZUHARESEU-MRVPVSSYSA-N 1 1 205.261 1.366 40 0 BDABMO CC(C)[C@H]([NH3+])c1nc(-c2ccc(O)cc2)n[nH]1 ZINC000095534722 187627303 /nfs/dbraw/zinc/62/73/03/187627303.db2.gz QSOSFNSPFBGXRU-JTQLQIEISA-N 1 1 232.287 1.833 40 0 BDABMO CC(C)(C)c1cc(CN2CC[C@H]([NH3+])C2)n[nH]1 ZINC000096523499 187628974 /nfs/dbraw/zinc/62/89/74/187628974.db2.gz UHMFOWIZVOTWEQ-VIFPVBQESA-N 1 1 222.336 1.240 40 0 BDABMO Cc1nn(C)c(C)c1-c1noc([C@H](C)[NH3+])n1 ZINC000095095292 188319523 /nfs/dbraw/zinc/31/95/23/188319523.db2.gz ALHMLPDHOWDRIR-YFKPBYRVSA-N 1 1 221.264 1.107 40 0 BDABMO CCCC[C@@H]1C[C@H](O)C[N@H+]1CCOCC ZINC000217881387 188355760 /nfs/dbraw/zinc/35/57/60/188355760.db2.gz CVWULBIVPMKHKA-NEPJUHHUSA-N 1 1 215.337 1.648 40 0 BDABMO Cn1c[nH+]cc1C1CCN(Cc2ncc[nH]2)CC1 ZINC000257302096 188369296 /nfs/dbraw/zinc/36/92/96/188369296.db2.gz SBNJGOHVWDGACV-UHFFFAOYSA-N 1 1 245.330 1.523 40 0 BDABMO NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000096161547 181252538 /nfs/dbraw/zinc/25/25/38/181252538.db2.gz TXUPXWCLFMLKOO-BETUJISGSA-N 1 1 245.326 1.129 40 0 BDABMO CC(C)[N@@H+](C1CCCC1)[C@H]1CNCC[C@@]1(C)O ZINC000685936087 538757043 /nfs/dbraw/zinc/75/70/43/538757043.db2.gz DIPWZUMYBYQZTB-UONOGXRCSA-N 1 1 240.391 1.752 40 0 BDABMO O=C1CCC(=O)N1[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000103401071 358054069 /nfs/dbraw/zinc/05/40/69/358054069.db2.gz UJZWYHABZLDLFD-MNOVXSKESA-N 1 1 236.315 1.152 40 0 BDABMO CC(C)(C)N1C(=O)[C@@H]([NH3+])[C@H]1c1ccccc1F ZINC000256050667 370634993 /nfs/dbraw/zinc/63/49/93/370634993.db2.gz GBEPZEFDCBRQMQ-WDEREUQCSA-N 1 1 236.290 1.835 40 0 BDABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+]2CCCC[C@H]12 ZINC000000900282 183001934 /nfs/dbraw/zinc/00/19/34/183001934.db2.gz FQEQMASDZFXSJI-JHJVBQTASA-N 1 1 244.338 1.820 40 0 biogenic,in-vitro BDABMO OCC[N@@H+](Cc1ccc(F)cc1)C1CC1 ZINC000048065477 183068445 /nfs/dbraw/zinc/06/84/45/183068445.db2.gz PSCBHCQHYSTTRE-UHFFFAOYSA-N 1 1 209.264 1.782 40 0 BDABMO OCC[N@H+](Cc1cccs1)C[C@@H]1CCOC1 ZINC000013997453 183069613 /nfs/dbraw/zinc/06/96/13/183069613.db2.gz ATHJADXEKOGRAI-NSHDSACASA-N 1 1 241.356 1.579 40 0 BDABMO OCc1cc([C@@H]2CCCC[N@H+]2CC2CC2)[nH]n1 ZINC000072383317 183161367 /nfs/dbraw/zinc/16/13/67/183161367.db2.gz IVQBZXNTZNPPCY-ZDUSSCGKSA-N 1 1 235.331 1.839 40 0 BDABMO O[C@@H](C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000100480048 183172782 /nfs/dbraw/zinc/17/27/82/183172782.db2.gz MIXKOCBGTXYXIY-GJZGRUSLSA-N 1 1 247.338 1.658 40 0 BDABMO O[C@@H](C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000100480048 183172783 /nfs/dbraw/zinc/17/27/83/183172783.db2.gz MIXKOCBGTXYXIY-GJZGRUSLSA-N 1 1 247.338 1.658 40 0 BDABMO Cc1ccc(C)c(-c2noc(C[NH3+])n2)c1 ZINC000073640754 384028445 /nfs/dbraw/zinc/02/84/45/384028445.db2.gz IOLYIPYZVULUAK-UHFFFAOYSA-N 1 1 203.245 1.812 40 0 BDABMO C[NH+](C)CCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000004721586 384077850 /nfs/dbraw/zinc/07/78/50/384077850.db2.gz ILVRZDGATWCZSB-KPWCQOOUSA-N 1 1 220.360 1.692 40 0 BDABMO CN(C)CCC[N@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000004721586 384077855 /nfs/dbraw/zinc/07/78/55/384077855.db2.gz ILVRZDGATWCZSB-KPWCQOOUSA-N 1 1 220.360 1.692 40 0 BDABMO CN(C)CCC[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1 ZINC000004721586 384077860 /nfs/dbraw/zinc/07/78/60/384077860.db2.gz ILVRZDGATWCZSB-KPWCQOOUSA-N 1 1 220.360 1.692 40 0 BDABMO C[N@@H+](CCO)Cc1nccc2ccccc21 ZINC000079422042 384141968 /nfs/dbraw/zinc/14/19/68/384141968.db2.gz LQJCWAFGUFYXSK-UHFFFAOYSA-N 1 1 216.284 1.659 40 0 BDABMO Cn1ccnc1C[N@@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000072381909 384217073 /nfs/dbraw/zinc/21/70/73/384217073.db2.gz PWGIKOBQRYSJFW-JTQLQIEISA-N 1 1 231.303 1.133 40 0 BDABMO Cn1ccnc1C[N@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000072381909 384217075 /nfs/dbraw/zinc/21/70/75/384217075.db2.gz PWGIKOBQRYSJFW-JTQLQIEISA-N 1 1 231.303 1.133 40 0 BDABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000072382073 384218710 /nfs/dbraw/zinc/21/87/10/384218710.db2.gz IUVHWWAQDVMBNM-ZDUSSCGKSA-N 1 1 249.358 1.934 40 0 BDABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](CC2CCOCC2)C1 ZINC000072382072 384220332 /nfs/dbraw/zinc/22/03/32/384220332.db2.gz IUVHWWAQDVMBNM-CYBMUJFWSA-N 1 1 249.358 1.934 40 0 BDABMO CC[N@@H+](CC(=O)[O-])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000100177721 384282492 /nfs/dbraw/zinc/28/24/92/384282492.db2.gz CLXOCZUNMRRRHZ-PHIMTYICSA-N 1 1 228.336 1.266 40 0 BDABMO O=C1CC[C@H]2[C@H](CC[N@H+]2CCc2ccccc2)N1 ZINC000096186192 384439324 /nfs/dbraw/zinc/43/93/24/384439324.db2.gz NFCILIPIZSNLPC-KBPBESRZSA-N 1 1 244.338 1.582 40 0 BDABMO Cc1ccc2c([nH+]1)N(C)CCN(C(=O)C1CC1)C2 ZINC000096199008 384441981 /nfs/dbraw/zinc/44/19/81/384441981.db2.gz MSYOZSJWRQQQLX-UHFFFAOYSA-N 1 1 245.326 1.578 40 0 BDABMO NN[C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000095095447 385124349 /nfs/dbraw/zinc/12/43/49/385124349.db2.gz TZTSYQMTSZFAKV-ZDUSSCGKSA-N 1 1 219.332 1.504 40 0 BDABMO Cc1cc(N)[nH+]cc1[C@H]1CCCCN1C=O ZINC000072218533 385101161 /nfs/dbraw/zinc/10/11/61/385101161.db2.gz XQRCUEIXXSTXLJ-LLVKDONJSA-N 1 1 219.288 1.656 40 0 BDABMO Cc1cc(C)c2c(n[nH]c2NC2CC[NH2+]CC2)n1 ZINC000072353511 385256557 /nfs/dbraw/zinc/25/65/57/385256557.db2.gz QPCLACBVOBCOBZ-UHFFFAOYSA-N 1 1 245.330 1.739 40 0 BDABMO [NH3+][C@H]1CCN(Cc2[nH]nc3ccccc32)C1 ZINC000096523509 385268949 /nfs/dbraw/zinc/26/89/49/385268949.db2.gz MWSGEAHAWOKSGC-VIFPVBQESA-N 1 1 216.288 1.096 40 0 BDABMO C[C@@H](O)C[NH+]1CCC[C@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000095097502 385434684 /nfs/dbraw/zinc/43/46/84/385434684.db2.gz QQVNFJUUBWYODO-AGIUHOORSA-N 1 1 226.364 1.173 40 0 BDABMO C[C@@H](O)C[NH+]1CCC[C@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000095097502 385434687 /nfs/dbraw/zinc/43/46/87/385434687.db2.gz QQVNFJUUBWYODO-AGIUHOORSA-N 1 1 226.364 1.173 40 0 BDABMO C[C@@H](O)CN1CCC[C@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000095097502 385434689 /nfs/dbraw/zinc/43/46/89/385434689.db2.gz QQVNFJUUBWYODO-AGIUHOORSA-N 1 1 226.364 1.173 40 0 BDABMO C[C@@H](O)CN1CCC[C@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000095097502 385434695 /nfs/dbraw/zinc/43/46/95/385434695.db2.gz QQVNFJUUBWYODO-AGIUHOORSA-N 1 1 226.364 1.173 40 0 BDABMO Cc1c[nH]c([C@@H]2CCN(c3ccnc(C)n3)C2)[nH+]1 ZINC000257205712 385752816 /nfs/dbraw/zinc/75/28/16/385752816.db2.gz BAIDXHDMFXGYAZ-LLVKDONJSA-N 1 1 243.314 1.810 40 0 BDABMO FC(F)(F)c1[nH]nc2c1CC[C@@H]1C[NH2+]C[C@@H]21 ZINC000257257627 385758084 /nfs/dbraw/zinc/75/80/84/385758084.db2.gz KQLVWBMMYFWVPI-IYSWYEEDSA-N 1 1 231.221 1.678 40 0 BDABMO Cc1n[nH]cc1C[N@@H+]1CCC[C@@H]1c1ccncn1 ZINC000257272832 385759153 /nfs/dbraw/zinc/75/91/53/385759153.db2.gz NEBUDXGVAFQHNJ-CYBMUJFWSA-N 1 1 243.314 1.845 40 0 BDABMO Cc1n[nH]cc1C[N@H+]1CCC[C@@H]1c1ccncn1 ZINC000257272832 385759161 /nfs/dbraw/zinc/75/91/61/385759161.db2.gz NEBUDXGVAFQHNJ-CYBMUJFWSA-N 1 1 243.314 1.845 40 0 BDABMO c1nc(C[NH+]2CCC(c3cnccn3)CC2)c[nH]1 ZINC000257329532 385763392 /nfs/dbraw/zinc/76/33/92/385763392.db2.gz XKIUZLMMRWCBPS-UHFFFAOYSA-N 1 1 243.314 1.579 40 0 BDABMO C[NH2+][C@H](C(N)=O)c1cccc(Cl)c1Cl ZINC000037869853 386104678 /nfs/dbraw/zinc/10/46/78/386104678.db2.gz QHBCCYJZPRPRAK-QMMMGPOBSA-N 1 1 233.098 1.739 40 0 BDABMO CC[C@H](C)n1nccc1C[NH2+]Cc1cnn(C)c1 ZINC000256054006 387862654 /nfs/dbraw/zinc/86/26/54/387862654.db2.gz UPCJIBFPQGDZBK-NSHDSACASA-N 1 1 247.346 1.877 40 0 BDABMO C([C@@H]1CCCO1)[N@@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000242543339 388399401 /nfs/dbraw/zinc/39/94/01/388399401.db2.gz JXGJYHMXVRWTCW-AVGNSLFASA-N 1 1 224.348 1.382 40 0 BDABMO C([C@@H]1CCCO1)[N@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000242543339 388399405 /nfs/dbraw/zinc/39/94/05/388399405.db2.gz JXGJYHMXVRWTCW-AVGNSLFASA-N 1 1 224.348 1.382 40 0 BDABMO CCc1cccc2c1[nH+]cc1c2NCCNC1=O ZINC000064874812 388671910 /nfs/dbraw/zinc/67/19/10/388671910.db2.gz TXUAEDRWZGOXMA-UHFFFAOYSA-N 1 1 241.294 1.953 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000242688346 388623847 /nfs/dbraw/zinc/62/38/47/388623847.db2.gz VNJDWHIKXSJJGX-RYUDHWBXSA-N 1 1 219.284 1.505 40 0 BDABMO [NH3+][C@@H](c1nnc(C2CC2)[nH]1)c1ccc(F)cc1 ZINC000095533325 388776260 /nfs/dbraw/zinc/77/62/60/388776260.db2.gz BUBRZJZHHGMWCJ-SNVBAGLBSA-N 1 1 232.262 1.869 40 0 BDABMO CCOCCC[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225715793 388840236 /nfs/dbraw/zinc/84/02/36/388840236.db2.gz XMJKNXPALFVAJK-NEPJUHHUSA-N 1 1 212.337 1.239 40 0 BDABMO CCOCCC[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225715793 388840239 /nfs/dbraw/zinc/84/02/39/388840239.db2.gz XMJKNXPALFVAJK-NEPJUHHUSA-N 1 1 212.337 1.239 40 0 BDABMO Cc1cccc(C)c1N1C(=[NH2+])NC(=N)NC1(C)C ZINC000001680767 132314548 /nfs/dbraw/zinc/31/45/48/132314548.db2.gz JDQXWWZDWBORMC-UHFFFAOYSA-N 1 1 245.330 1.489 40 0 BDABMO CCC[N@@H+](C)C[C@H](N)Cc1ccccc1 ZINC000037098579 397968581 /nfs/dbraw/zinc/96/85/81/397968581.db2.gz HCZKBZPJMAJMJM-CYBMUJFWSA-N 1 1 206.333 1.898 40 0 BDABMO CN(C)C[C@@H]1COc2ccccc2[C@H]1[NH3+] ZINC000062702162 411220454 /nfs/dbraw/zinc/22/04/54/411220454.db2.gz GHGQETRMMUTEAD-SKDRFNHKSA-N 1 1 206.289 1.257 40 0 BDABMO CC1(C)[C@H]([NH+]2CCCCC2)CS1(=O)=O ZINC000031717074 168004542 /nfs/dbraw/zinc/00/45/42/168004542.db2.gz GYEGSHCPDNPGLU-SECBINFHSA-N 1 1 217.334 1.048 40 0 BDABMO CC1CCC(O)(C[N@@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000096511430 168167631 /nfs/dbraw/zinc/16/76/31/168167631.db2.gz VSIGLIFPYRJLME-CPCZMJQVSA-N 1 1 226.364 1.351 40 0 BDABMO CC1CCC(O)(C[N@H+]2CCC[C@H]([NH3+])C2)CC1 ZINC000096511430 168167634 /nfs/dbraw/zinc/16/76/34/168167634.db2.gz VSIGLIFPYRJLME-CPCZMJQVSA-N 1 1 226.364 1.351 40 0 BDABMO CC[N@H+]1CC[C@H](c2ccnc(N(C)C)n2)C1 ZINC000072361099 170024336 /nfs/dbraw/zinc/02/43/36/170024336.db2.gz PHBWQNKIZJHVOU-JTQLQIEISA-N 1 1 220.320 1.352 40 0 BDABMO CCOC(=O)[C@@H]([NH3+])CS[C@@H]1CCCCO1 ZINC000019805061 170254096 /nfs/dbraw/zinc/25/40/96/170254096.db2.gz QGZKVZJVXAQCSO-DTWKUNHWSA-N 1 1 233.333 1.137 40 0 BDABMO CCOC(=O)[C@@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000071169734 170260217 /nfs/dbraw/zinc/26/02/17/170260217.db2.gz ULPOWYZOMZHZQV-ZDUSSCGKSA-N 1 1 237.299 1.518 40 0 BDABMO C[C@@H]1C[C@@H]2C=CC=C[C@H]2[N@H+]1Cc1cc(N)nn1C ZINC000408716628 411911299 /nfs/dbraw/zinc/91/12/99/411911299.db2.gz OZGNYYJORXTVMQ-NTZNESFSSA-N 1 1 244.342 1.707 40 0 BDABMO CCn1cccc1-c1noc([C@H](C)[NH3+])n1 ZINC000328579761 172204086 /nfs/dbraw/zinc/20/40/86/172204086.db2.gz ZVZILKMZVDBKJG-ZETCQYMHSA-N 1 1 206.249 1.578 40 0 BDABMO C[N@H+]1CCC[C@H](c2cccc(CCC(N)=O)n2)C1 ZINC000072382826 173048809 /nfs/dbraw/zinc/04/88/09/173048809.db2.gz MSRLADFHGGCKBK-NSHDSACASA-N 1 1 247.342 1.309 40 0 BDABMO C[N@H+]1CCC[C@H]1c1cncc(-n2ccnc2)n1 ZINC000257312722 173057897 /nfs/dbraw/zinc/05/78/97/173057897.db2.gz UPGQRBODTWHSLA-NSHDSACASA-N 1 1 229.287 1.429 40 0 BDABMO C[NH+]1CCN(C[C@@H]2Cc3ccccc3N2)CC1 ZINC000096524012 173086123 /nfs/dbraw/zinc/08/61/23/173086123.db2.gz HJSYJQQKBBGARB-ZDUSSCGKSA-N 1 1 231.343 1.271 40 0 BDABMO C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1ccsc1 ZINC000096184221 173135212 /nfs/dbraw/zinc/13/52/12/173135212.db2.gz XEKPUNYYKRHQAB-WDEREUQCSA-N 1 1 236.340 1.667 40 0 BDABMO C[N@H+]1CC[C@H]2COC(=O)N2c2ccccc2C1 ZINC000225481994 173163169 /nfs/dbraw/zinc/16/31/69/173163169.db2.gz XLFPWJUZPCNTQS-NSHDSACASA-N 1 1 232.283 1.847 40 0 biogenic,in-vitro BDABMO COc1cc2c(cc1O)CC[N@@H+](C)[C@@H]2C ZINC000002005067 175023107 /nfs/dbraw/zinc/02/31/07/175023107.db2.gz BQWXVEGUQMSXOH-MRVPVSSYSA-N 1 1 207.273 1.950 40 0 BDABMO COc1cc2c(cc1OC)[C@H](CC[NH3+])NCC2 ZINC000031947586 175025710 /nfs/dbraw/zinc/02/57/10/175025710.db2.gz YJXPOXONGWGWNK-NSHDSACASA-N 1 1 236.315 1.239 40 0 BDABMO COc1ccc(-c2n[nH]c([C@H](C)[NH3+])n2)cc1OC ZINC000061843986 175037605 /nfs/dbraw/zinc/03/76/05/175037605.db2.gz NRGOWBJGEOYKJB-ZETCQYMHSA-N 1 1 248.286 1.509 40 0 BDABMO COc1ccc(-c2n[nH]c([C@@H](C)[NH3+])n2)cc1 ZINC000061843971 175037710 /nfs/dbraw/zinc/03/77/10/175037710.db2.gz ZABUVSRNJDAUSV-SSDOTTSWSA-N 1 1 218.260 1.500 40 0 BDABMO COc1ccc(CCN[C@H]2CCC[NH2+]C2)cc1 ZINC000043323984 175092770 /nfs/dbraw/zinc/09/27/70/175092770.db2.gz OPGHXKVZVJJUIO-ZDUSSCGKSA-N 1 1 234.343 1.579 40 0 BDABMO COc1ccc([C@H]2C[N@@H+](C)C[C@@H]2CO)cc1 ZINC000217673951 175195953 /nfs/dbraw/zinc/19/59/53/175195953.db2.gz KUYYGVJYJPSSMR-DGCLKSJQSA-N 1 1 221.300 1.333 40 0 BDABMO COc1cccc(-c2nc(C[NH3+])no2)c1 ZINC000019682201 175236900 /nfs/dbraw/zinc/23/69/00/175236900.db2.gz ZSKLYMFJVSUQHA-UHFFFAOYSA-N 1 1 205.217 1.204 40 0 BDABMO COc1ccccc1C[NH2+]Cc1ccnn1C ZINC000020349266 175329637 /nfs/dbraw/zinc/32/96/37/175329637.db2.gz LUCVAZRNIBQRNQ-UHFFFAOYSA-N 1 1 231.299 1.719 40 0 BDABMO C[C@@H](c1nccs1)[N@@H+]1CCC[C@H](O)C1 ZINC000043220357 176039521 /nfs/dbraw/zinc/03/95/21/176039521.db2.gz JOPMEOYAIBKDPT-IUCAKERBSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@@H](c1nccs1)[N@H+]1CCC[C@H](O)C1 ZINC000043220357 176039523 /nfs/dbraw/zinc/03/95/23/176039523.db2.gz JOPMEOYAIBKDPT-IUCAKERBSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@H](c1nccs1)[NH+]1CCC(O)CC1 ZINC000095147653 177053891 /nfs/dbraw/zinc/05/38/91/177053891.db2.gz GAMJMTZMPWCUPC-MRVPVSSYSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](CO)C1 ZINC000100191354 177043510 /nfs/dbraw/zinc/04/35/10/177043510.db2.gz CCCKFMGXAZWYAU-VXGBXAGGSA-N 1 1 220.316 1.847 40 0 BDABMO C[C@]12[NH2+]CCN1C(=O)OC21CCCCC1 ZINC000020494223 491103859 /nfs/dbraw/zinc/10/38/59/491103859.db2.gz UPDXRQRZXVODIS-JTQLQIEISA-N 1 1 210.277 1.461 40 0 BDABMO COC(=O)C1=C(NCc2ccccc2)C[N@H+](C)C1 ZINC000228980704 522895754 /nfs/dbraw/zinc/89/57/54/522895754.db2.gz CSYZONSVAYZQHB-UHFFFAOYSA-N 1 1 246.310 1.149 40 0 BDABMO COC(=O)C1=C(NCc2ccccc2)C[N@@H+](C)C1 ZINC000228980704 522895765 /nfs/dbraw/zinc/89/57/65/522895765.db2.gz CSYZONSVAYZQHB-UHFFFAOYSA-N 1 1 246.310 1.149 40 0 BDABMO CC(C)C[N@H+]1CCC[C@@H]1c1cccc(C(N)=O)n1 ZINC000072379392 343979946 /nfs/dbraw/zinc/97/99/46/343979946.db2.gz LMGQXJFAAKNEQI-CYBMUJFWSA-N 1 1 247.342 1.973 40 0 BDABMO N[C@@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000218874420 398243803 /nfs/dbraw/zinc/24/38/03/398243803.db2.gz WJGVXTQYDKCYTE-MNOVXSKESA-N 1 1 210.346 1.760 40 0 BDABMO CO[C@@H](C[NH+](C)C)C(Cl)(Cl)Cl ZINC000001557940 342702852 /nfs/dbraw/zinc/70/28/52/342702852.db2.gz CHUOBFXMRRDKOO-YFKPBYRVSA-N 1 1 220.527 1.933 40 0 BDABMO O=S1(=O)C[C@]2([NH+]3CCCCC3)CCCC[C@@H]21 ZINC000001725414 342711306 /nfs/dbraw/zinc/71/13/06/342711306.db2.gz OOLYUTFOHFXSLT-NWDGAFQWSA-N 1 1 243.372 1.582 40 0 BDABMO O=C(CC[N@@H+]1CCC[C@@H](O)C1)c1ccccc1 ZINC000038438516 398279520 /nfs/dbraw/zinc/27/95/20/398279520.db2.gz VZBUWWZRBXHVJA-CYBMUJFWSA-N 1 1 233.311 1.716 40 0 BDABMO CCO[C@@H](C)c1ccc(C(=O)C[NH3+])cc1 ZINC000072219861 259318989 /nfs/dbraw/zinc/31/89/89/259318989.db2.gz PBCYQEIEVFMQPZ-VIFPVBQESA-N 1 1 207.273 1.926 40 0 BDABMO C[N@@H+](CCO)CC[C@@H]1COc2ccccc2O1 ZINC000005940997 342771774 /nfs/dbraw/zinc/77/17/74/342771774.db2.gz RLTYCLLSHWGJIQ-LLVKDONJSA-N 1 1 237.299 1.141 40 0 BDABMO CC[NH+]1CCN(c2cc(C)c(C=O)cn2)CC1 ZINC000072223617 259321513 /nfs/dbraw/zinc/32/15/13/259321513.db2.gz UQGXDYGCFYCMHG-UHFFFAOYSA-N 1 1 233.315 1.344 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228296 259322801 /nfs/dbraw/zinc/32/28/01/259322801.db2.gz ZXIJYYOKKAEBJR-RKDXNWHRSA-N 1 1 244.216 1.546 40 0 BDABMO Cn1cc[nH+]c1C[C@](C)(O)c1ccccc1 ZINC000013099146 342863852 /nfs/dbraw/zinc/86/38/52/342863852.db2.gz NTGAQWUCYHPCTF-ZDUSSCGKSA-N 1 1 216.284 1.870 40 0 in-vitro BDABMO C[N@H+]1C[C@H](CO)[C@H](c2ccc3c(c2)OCO3)C1 ZINC000217674139 398322730 /nfs/dbraw/zinc/32/27/30/398322730.db2.gz SWAUYCLOTDOUDN-MNOVXSKESA-N 1 1 235.283 1.053 40 0 BDABMO O=C1C=C2C=C[C@H]3C[C@]2(O1)[C@H]1CCCC[N@H+]31 ZINC000020806886 342995140 /nfs/dbraw/zinc/99/51/40/342995140.db2.gz SWZMSZQQJRKFBP-DMDPSCGWSA-N 1 1 217.268 1.405 40 0 biogenic,in-vitro BDABMO Cc1c(F)cccc1C[N@H+]1CC[C@H](O)C1 ZINC000038538756 343100397 /nfs/dbraw/zinc/10/03/97/343100397.db2.gz MFZXNHCASYGCSS-NSHDSACASA-N 1 1 209.264 1.701 40 0 BDABMO O=C1CCC[C@@]2(c3ccccc3)[NH2+]CCCN12 ZINC000035572431 343298442 /nfs/dbraw/zinc/29/84/42/343298442.db2.gz UZHDFTCCJFETLP-CQSZACIVSA-N 1 1 230.311 1.845 40 0 BDABMO CC[C@@H]([C@H]([NH3+])c1ccccc1F)S(C)(=O)=O ZINC000096524891 343759080 /nfs/dbraw/zinc/75/90/80/343759080.db2.gz MZVSQCWMUMSRHL-WDEREUQCSA-N 1 1 245.319 1.649 40 0 BDABMO NCC(F)(C[NH3+])CCCc1ccccc1 ZINC000585142651 343876796 /nfs/dbraw/zinc/87/67/96/343876796.db2.gz RTGDTTODUCYVTM-UHFFFAOYSA-N 1 1 210.296 1.635 40 0 BDABMO COCc1nnc2n1CC[N@H+](C(C)C)[C@H]2C ZINC000585096695 344131424 /nfs/dbraw/zinc/13/14/24/344131424.db2.gz AMOBFPKCMXXUFH-VIFPVBQESA-N 1 1 224.308 1.210 40 0 BDABMO COCc1nnc2n1CC[N@@H+](C(C)C)[C@H]2C ZINC000585096695 344131427 /nfs/dbraw/zinc/13/14/27/344131427.db2.gz AMOBFPKCMXXUFH-VIFPVBQESA-N 1 1 224.308 1.210 40 0 BDABMO Cc1ccc(OCCC[NH+]2CCOCC2)cn1 ZINC000256052813 344145341 /nfs/dbraw/zinc/14/53/41/344145341.db2.gz OUIFXTSPXCHOOL-UHFFFAOYSA-N 1 1 236.315 1.491 40 0 BDABMO CC[N@H+]1CC[C@]2(C)[C@H]1CCCCC(=O)N2C ZINC000019695466 347031677 /nfs/dbraw/zinc/03/16/77/347031677.db2.gz OMNXGBHHTILVQO-DGCLKSJQSA-N 1 1 224.348 1.872 40 0 BDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1ccccn1)C2 ZINC000020523922 344457122 /nfs/dbraw/zinc/45/71/22/344457122.db2.gz XUHJBQSEWUKEAD-AGUYFDCRSA-N 1 1 231.343 1.796 40 0 BDABMO COC(=O)[C@H]([NH3+])Cc1c[nH]c2ccc(F)cc12 ZINC000034114219 346200763 /nfs/dbraw/zinc/20/07/63/346200763.db2.gz QZJKFQYQAYPZJY-SNVBAGLBSA-N 1 1 236.246 1.350 40 0 BDABMO Cc1cccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@@H]32)c1 ZINC000096186191 179082768 /nfs/dbraw/zinc/08/27/68/179082768.db2.gz WHIREDCXKRHTAY-KBPBESRZSA-N 1 1 244.338 1.848 40 0 BDABMO C[C@H](Cc1ccccc1)NC1=[NH+]CCO1 ZINC000001639243 346461074 /nfs/dbraw/zinc/46/10/74/346461074.db2.gz NCVYXOYOFVEKCJ-SNVBAGLBSA-N 1 1 204.273 1.593 40 0 BDABMO COC(=O)[C@]1([NH3+])CC[C@@H]1c1ccccc1 ZINC000225949670 350136961 /nfs/dbraw/zinc/13/69/61/350136961.db2.gz QJFVJAHFPNSTBC-PWSUYJOCSA-N 1 1 205.257 1.435 40 0 BDABMO Cc1[nH+]c2ccc(N)cc2n1CCCO ZINC000223768294 180092265 /nfs/dbraw/zinc/09/22/65/180092265.db2.gz DOTJGTGJSNZYDA-UHFFFAOYSA-N 1 1 205.261 1.309 40 0 BDABMO CCC[C@H]1SCC[N@H+]1CCC(N)=O ZINC000033901639 350461856 /nfs/dbraw/zinc/46/18/56/350461856.db2.gz GSPYFGAIWDRMBG-SECBINFHSA-N 1 1 202.323 1.037 40 0 BDABMO C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)N1CCOCC1 ZINC000023479071 188282811 /nfs/dbraw/zinc/28/28/11/188282811.db2.gz DGSFCBWUKDGJBJ-OKILXGFUSA-N 1 1 238.375 1.441 40 0 BDABMO COc1ccc(C[N@H+]2CC[C@H](O)C2)cc1C ZINC000038538902 188283019 /nfs/dbraw/zinc/28/30/19/188283019.db2.gz FQIZILXRTMZPTH-LBPRGKRZSA-N 1 1 221.300 1.570 40 0 BDABMO CC(=O)N[C@H]1CCCC[C@H]1[N@H+](CCO)C(C)C ZINC000079405449 188292232 /nfs/dbraw/zinc/29/22/32/188292232.db2.gz KFMFJKAQLUCOSW-QWHCGFSZSA-N 1 1 242.363 1.136 40 0 BDABMO Fc1ccc2c(c1)OCC[C@@]21COCC[NH2+]1 ZINC000306145446 180988248 /nfs/dbraw/zinc/98/82/48/180988248.db2.gz FPZUTFLEYXQIAV-GFCCVEGCSA-N 1 1 223.247 1.423 40 0 BDABMO NC(=O)c1cc(N)ccc1[NH+]1CCCCCC1 ZINC000009238037 181289950 /nfs/dbraw/zinc/28/99/50/181289950.db2.gz RLQWCFACODOLOM-UHFFFAOYSA-N 1 1 233.315 1.748 40 0 BDABMO CC(C)[N@@H+](C1CCCC1)[C@H]1CNCC[C@]1(C)O ZINC000685936085 538756428 /nfs/dbraw/zinc/75/64/28/538756428.db2.gz DIPWZUMYBYQZTB-KBPBESRZSA-N 1 1 240.391 1.752 40 0 BDABMO C[NH+](C)Cc1[nH]nc(N)c1Cc1ccccc1 ZINC000026511513 357164083 /nfs/dbraw/zinc/16/40/83/357164083.db2.gz MDAUDNAMDRYUEQ-UHFFFAOYSA-N 1 1 230.315 1.644 40 0 BDABMO CC(C)c1nnc([C@@H]([NH3+])c2ccccc2)[nH]1 ZINC000041058535 358730996 /nfs/dbraw/zinc/73/09/96/358730996.db2.gz HRAFWOQXOVNDHY-JTQLQIEISA-N 1 1 216.288 1.976 40 0 BDABMO CCN1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000020073876 371227248 /nfs/dbraw/zinc/22/72/48/371227248.db2.gz YGQYCXSQHFYNQP-UHFFFAOYSA-N 1 1 225.380 1.286 40 0 BDABMO c1cc(-c2nc([C@H]3CCCC[NH2+]3)no2)n[nH]1 ZINC000057940006 371932991 /nfs/dbraw/zinc/93/29/91/371932991.db2.gz JKHMQNYZLIJBMG-SSDOTTSWSA-N 1 1 219.248 1.274 40 0 BDABMO CC(C)(C)OC(=O)[C@H](N)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000242750694 372291780 /nfs/dbraw/zinc/29/17/80/372291780.db2.gz ZWDZXQXFUGOWAX-KXUCPTDWSA-N 1 1 228.336 1.173 40 0 BDABMO OCCNCC[NH2+]Cc1ccc(Cl)cc1 ZINC000023263541 183078213 /nfs/dbraw/zinc/07/82/13/183078213.db2.gz LIEGTVJMDMEZEJ-UHFFFAOYSA-N 1 1 228.723 1.012 40 0 BDABMO O[C@H](C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000071789968 183217425 /nfs/dbraw/zinc/21/74/25/183217425.db2.gz MIXKOCBGTXYXIY-LSDHHAIUSA-N 1 1 247.338 1.658 40 0 BDABMO O[C@H](C1CC1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000071789968 183217427 /nfs/dbraw/zinc/21/74/27/183217427.db2.gz MIXKOCBGTXYXIY-LSDHHAIUSA-N 1 1 247.338 1.658 40 0 BDABMO O[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@]12CCCO2 ZINC000257213401 183243222 /nfs/dbraw/zinc/24/32/22/183243222.db2.gz CHKWIRJLLJBBJN-KBPBESRZSA-N 1 1 248.326 1.197 40 0 BDABMO CCC[N@H+]1CCc2nc(N)nc(C)c2C1 ZINC000049474126 169208807 /nfs/dbraw/zinc/20/88/07/169208807.db2.gz LIQHPMBXVFSFFM-UHFFFAOYSA-N 1 1 206.293 1.135 40 0 BDABMO CN(Cc1ccccc1)C[C@@H]1CCC[N@H+]1CCO ZINC000079414102 384138102 /nfs/dbraw/zinc/13/81/02/384138102.db2.gz RSXMOGVTLJQRHR-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN1CCO ZINC000079414102 384138105 /nfs/dbraw/zinc/13/81/05/384138105.db2.gz RSXMOGVTLJQRHR-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@H+](Cc1ccccc1)C[C@@H]1CCCN1CCO ZINC000079414102 384138108 /nfs/dbraw/zinc/13/81/08/384138108.db2.gz RSXMOGVTLJQRHR-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@@H+](CCO)Cc1ccnc(Br)c1 ZINC000079421548 384142848 /nfs/dbraw/zinc/14/28/48/384142848.db2.gz KMGLWZWWODWSMT-UHFFFAOYSA-N 1 1 245.120 1.268 40 0 BDABMO CNc1nccnc1[C@@H]1CCC[N@@H+](C)C1 ZINC000072381226 384216731 /nfs/dbraw/zinc/21/67/31/384216731.db2.gz QKQKYMXOHYITPZ-SECBINFHSA-N 1 1 206.293 1.328 40 0 BDABMO Nc1nccc([C@H]2CC[N@@H+](CC3CC3)C2)n1 ZINC000072383324 384219077 /nfs/dbraw/zinc/21/90/77/384219077.db2.gz ZABXUIGRLCJRIE-JTQLQIEISA-N 1 1 218.304 1.258 40 0 BDABMO CCN(CC)C[C@H]([NH3+])Cc1ccccc1 ZINC000095079699 384358532 /nfs/dbraw/zinc/35/85/32/384358532.db2.gz RKXCHDNBGAKTES-CYBMUJFWSA-N 1 1 206.333 1.898 40 0 BDABMO Cc1noc(C)c1C[N@@H+]1C[C@@H]2C[C@@H](C)O[C@@H]2C1 ZINC000096045712 384426170 /nfs/dbraw/zinc/42/61/70/384426170.db2.gz STALNTXLVYRUKX-YDEJPDAXSA-N 1 1 236.315 1.901 40 0 BDABMO CO[C@H]1C[N@H+](C)Cc2cc3c(cc21)OCO3 ZINC000095470378 384376758 /nfs/dbraw/zinc/37/67/58/384376758.db2.gz UWGQVQJZBSETNY-LBPRGKRZSA-N 1 1 221.256 1.548 40 0 BDABMO CO[C@H]1C[N@@H+](C)Cc2cc3c(cc21)OCO3 ZINC000095470378 384376763 /nfs/dbraw/zinc/37/67/63/384376763.db2.gz UWGQVQJZBSETNY-LBPRGKRZSA-N 1 1 221.256 1.548 40 0 BDABMO c1cnc(N2C[C@@H]3C[N@@H+](CC4CC4)C[C@@H]3C2)nc1 ZINC000096054015 384430038 /nfs/dbraw/zinc/43/00/38/384430038.db2.gz QQADZYWXNYZLFL-BETUJISGSA-N 1 1 244.342 1.255 40 0 BDABMO CN(C)C[C@@H]1c2ccccc2CC[N@@H+]1C ZINC000022029649 384723494 /nfs/dbraw/zinc/72/34/94/384723494.db2.gz FTDUASQTTRDXDB-CYBMUJFWSA-N 1 1 204.317 1.777 40 0 BDABMO CN1CCc2ccccc2[C@H]1C[NH+](C)C ZINC000022029649 384723497 /nfs/dbraw/zinc/72/34/97/384723497.db2.gz FTDUASQTTRDXDB-CYBMUJFWSA-N 1 1 204.317 1.777 40 0 BDABMO Cc1ccn([C@H](C)[C@H]2CCC[N@@H+]2CCN)n1 ZINC000022763128 384773670 /nfs/dbraw/zinc/77/36/70/384773670.db2.gz TZNNEOLHPHZQRJ-VXGBXAGGSA-N 1 1 222.336 1.176 40 0 BDABMO Cc1ccn([C@H](C)[C@H]2CCC[N@H+]2CCN)n1 ZINC000022763128 384773675 /nfs/dbraw/zinc/77/36/75/384773675.db2.gz TZNNEOLHPHZQRJ-VXGBXAGGSA-N 1 1 222.336 1.176 40 0 BDABMO NN[C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000095095448 385123695 /nfs/dbraw/zinc/12/36/95/385123695.db2.gz TZTSYQMTSZFAKV-CYBMUJFWSA-N 1 1 219.332 1.504 40 0 BDABMO Cn1nc(-c2nc(C[NH3+])no2)c2ccccc21 ZINC000096511469 385253080 /nfs/dbraw/zinc/25/30/80/385253080.db2.gz DNYLCGMZNCFGQF-UHFFFAOYSA-N 1 1 229.243 1.082 40 0 BDABMO CCS(=O)(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1F ZINC000096524833 385274144 /nfs/dbraw/zinc/27/41/44/385274144.db2.gz XHELDRBUPLVQIX-GZMMTYOYSA-N 1 1 245.319 1.649 40 0 BDABMO C[C@@H]1C[C@@H](C)C[NH+](C[C@H](O)CNC2CC2)C1 ZINC000036950435 385824780 /nfs/dbraw/zinc/82/47/80/385824780.db2.gz SRGZXIQVTVCGOL-NQBHXWOUSA-N 1 1 226.364 1.077 40 0 BDABMO O=C1C[C@@]2(CN1)CCCC[N@H+]2Cc1cccnc1 ZINC000306130638 385993209 /nfs/dbraw/zinc/99/32/09/385993209.db2.gz JLUBGWHGZRVKOE-CQSZACIVSA-N 1 1 245.326 1.326 40 0 BDABMO C[N@@H+]1CCN2C(=O)N(c3ccccc3)C[C@H]2C1 ZINC000077266479 387451989 /nfs/dbraw/zinc/45/19/89/387451989.db2.gz QEXYMFPVNXMCNM-GFCCVEGCSA-N 1 1 231.299 1.243 40 0 biogenic,in-vitro BDABMO C[N@H+]1CCN2C(=O)N(c3ccccc3)C[C@H]2C1 ZINC000077266479 387451993 /nfs/dbraw/zinc/45/19/93/387451993.db2.gz QEXYMFPVNXMCNM-GFCCVEGCSA-N 1 1 231.299 1.243 40 0 biogenic,in-vitro BDABMO CC[C@H](CO)[NH2+][C@H]1C[C@H](C)N(C)C[C@@H]1C ZINC000004129041 387562317 /nfs/dbraw/zinc/56/23/17/387562317.db2.gz DIQREXVGAWIWBR-YFKTTZPYSA-N 1 1 214.353 1.076 40 0 BDABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000067800943 387855804 /nfs/dbraw/zinc/85/58/04/387855804.db2.gz GOLIFRGHZSFNBN-LLVKDONJSA-N 1 1 240.347 1.995 40 0 BDABMO CCCn1cc(C[NH2+]Cc2cc(C)nn2C)cn1 ZINC000256054146 387863564 /nfs/dbraw/zinc/86/35/64/387863564.db2.gz VCBIXOWRWKVCRA-UHFFFAOYSA-N 1 1 247.346 1.625 40 0 BDABMO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)CNC2CC2)C1 ZINC000108020705 388611086 /nfs/dbraw/zinc/61/10/86/388611086.db2.gz SRGZXIQVTVCGOL-LOWVWBTDSA-N 1 1 226.364 1.077 40 0 BDABMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)CNC2CC2)C1 ZINC000108020705 388611088 /nfs/dbraw/zinc/61/10/88/388611088.db2.gz SRGZXIQVTVCGOL-LOWVWBTDSA-N 1 1 226.364 1.077 40 0 BDABMO CC(C)(C)c1n[nH]c(CC[NH+]2CCCC2)n1 ZINC000062719454 388656626 /nfs/dbraw/zinc/65/66/26/388656626.db2.gz YVVMTSWDRDGYSQ-UHFFFAOYSA-N 1 1 222.336 1.741 40 0 BDABMO Cc1nnc([C@@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533235 388776034 /nfs/dbraw/zinc/77/60/34/388776034.db2.gz PYXKHRKHODNTCW-VIFPVBQESA-N 1 1 206.224 1.300 40 0 BDABMO CC(C)(C)N1C(=O)[C@@H]([NH3+])[C@@H]1c1ccccc1 ZINC000196566609 397911360 /nfs/dbraw/zinc/91/13/60/397911360.db2.gz QCBBUJYRYTXIOP-QWRGUYRKSA-N 1 1 218.300 1.696 40 0 BDABMO CCn1ncc(C[N@H+]2CCC[C@H](O)C2)c1C ZINC000072397794 172255263 /nfs/dbraw/zinc/25/52/63/172255263.db2.gz WLKLPPPHQXKGSY-LBPRGKRZSA-N 1 1 223.320 1.168 40 0 BDABMO CCn1nccc1C[NH2+]Cc1ccnn1C(C)C ZINC000256054268 172271645 /nfs/dbraw/zinc/27/16/45/172271645.db2.gz VQUPVWPUFZJETK-UHFFFAOYSA-N 1 1 247.346 1.970 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)NCc2ccncc2)C1 ZINC000081225859 173038187 /nfs/dbraw/zinc/03/81/87/173038187.db2.gz UODXXLHXBJBJOX-LBPRGKRZSA-N 1 1 233.315 1.040 40 0 BDABMO C[N@H+]1CCC[C@H](Oc2ccccc2N)C1 ZINC000096526668 173046486 /nfs/dbraw/zinc/04/64/86/173046486.db2.gz FCZORDGDGCCCRP-JTQLQIEISA-N 1 1 206.289 1.742 40 0 BDABMO Cn1nccc1-c1cnc([C@@H]2CCC[N@H+]2C)cn1 ZINC000257240668 173059571 /nfs/dbraw/zinc/05/95/71/173059571.db2.gz HUOYWDDKHXRFLB-LBPRGKRZSA-N 1 1 243.314 1.644 40 0 BDABMO C[NH+]1CCN(Cc2cc(F)ccc2C=O)CC1 ZINC000095738677 173088737 /nfs/dbraw/zinc/08/87/37/173088737.db2.gz SQJOPWNMDCGMLH-UHFFFAOYSA-N 1 1 236.290 1.386 40 0 BDABMO CN1c2ccccc2[C@]2(CC[N@@H+](C)C2)C1=O ZINC000096244805 173165409 /nfs/dbraw/zinc/16/54/09/173165409.db2.gz RXLINJUPWMMDFV-CYBMUJFWSA-N 1 1 216.284 1.236 40 0 BDABMO CN(C)C(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217663551 173180046 /nfs/dbraw/zinc/18/00/46/173180046.db2.gz DANXGDIJIYQMCE-CHWSQXEVSA-N 1 1 247.342 1.002 40 0 BDABMO C[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000217673053 173183827 /nfs/dbraw/zinc/18/38/27/173183827.db2.gz YERUOLXDZSNEDO-JQWIXIFHSA-N 1 1 225.719 1.978 40 0 BDABMO C[NH2+]CCCNC/C=C/c1ccccc1 ZINC000008376902 173348672 /nfs/dbraw/zinc/34/86/72/173348672.db2.gz SLOMLOMTVOVWHG-WEVVVXLNSA-N 1 1 204.317 1.899 40 0 BDABMO COCCC[N@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000218828607 174230105 /nfs/dbraw/zinc/23/01/05/174230105.db2.gz VYWZRUFXEWYJCB-NWDGAFQWSA-N 1 1 212.337 1.239 40 0 BDABMO COCCCN1CC[NH2+][C@H]2CCCC[C@H]21 ZINC000218828607 174230106 /nfs/dbraw/zinc/23/01/06/174230106.db2.gz VYWZRUFXEWYJCB-NWDGAFQWSA-N 1 1 212.337 1.239 40 0 BDABMO COCC[NH2+][C@H](C)c1nc2ccccc2c(=O)[nH]1 ZINC000057369650 174340359 /nfs/dbraw/zinc/34/03/59/174340359.db2.gz VHFIXBPJUUYVMZ-SECBINFHSA-N 1 1 247.298 1.220 40 0 BDABMO COc1ccc2c(c1)[C@H]1CC[N@H+](C)C[C@H]1OC2=O ZINC000005395861 175217145 /nfs/dbraw/zinc/21/71/45/175217145.db2.gz WBFWVYNWPVTOGL-ZWNOBZJWSA-N 1 1 247.294 1.653 40 0 BDABMO COc1ccccc1CN1CCC[C@@H](C[NH3+])C1 ZINC000011888371 175328263 /nfs/dbraw/zinc/32/82/63/175328263.db2.gz NDMLOMNKVNVUMR-LBPRGKRZSA-N 1 1 234.343 1.866 40 0 BDABMO COc1ccccc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082325707 175336965 /nfs/dbraw/zinc/33/69/65/175336965.db2.gz OPMVFKFQZWUDQY-NSHDSACASA-N 1 1 248.326 1.976 40 0 BDABMO C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000169951764 176093937 /nfs/dbraw/zinc/09/39/37/176093937.db2.gz FIUSVJRWHMQPEW-VXGBXAGGSA-N 1 1 224.348 1.587 40 0 BDABMO C[C@H](c1ccccn1)[N@H+]1CCC[C@@H](O)C1 ZINC000095089040 177043439 /nfs/dbraw/zinc/04/34/39/177043439.db2.gz IKDJNGOSFJDSOY-GHMZBOCLSA-N 1 1 206.289 1.599 40 0 BDABMO C[C@H](c1nccs1)[N@@H+]1CCC[C@@H](O)C1 ZINC000095089044 177054160 /nfs/dbraw/zinc/05/41/60/177054160.db2.gz JOPMEOYAIBKDPT-RKDXNWHRSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@H](c1nccs1)[N@H+]1CCC[C@@H](O)C1 ZINC000095089044 177054162 /nfs/dbraw/zinc/05/41/62/177054162.db2.gz JOPMEOYAIBKDPT-RKDXNWHRSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@H](c1nccs1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000100191379 177054406 /nfs/dbraw/zinc/05/44/06/177054406.db2.gz VLGMOLAFUBVKKH-NXEZZACHSA-N 1 1 226.345 1.908 40 0 BDABMO C[C@H](c1nccs1)[N@H+]1CCC[C@@H](CO)C1 ZINC000100191379 177054407 /nfs/dbraw/zinc/05/44/07/177054407.db2.gz VLGMOLAFUBVKKH-NXEZZACHSA-N 1 1 226.345 1.908 40 0 BDABMO CC[N@@H+](CCO)[C@H]1CCCC[C@H]1N(C)C ZINC000248057055 521124576 /nfs/dbraw/zinc/12/45/76/521124576.db2.gz OYDNNWKIHWGQAS-NEPJUHHUSA-N 1 1 214.353 1.173 40 0 BDABMO CCN(CCO)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000248057055 521124579 /nfs/dbraw/zinc/12/45/79/521124579.db2.gz OYDNNWKIHWGQAS-NEPJUHHUSA-N 1 1 214.353 1.173 40 0 BDABMO CCCn1nccc1C[NH2+]Cc1cnn(CC)c1 ZINC000020349893 521673267 /nfs/dbraw/zinc/67/32/67/521673267.db2.gz CLVHTWWIWSLETD-UHFFFAOYSA-N 1 1 247.346 1.799 40 0 BDABMO C[C@@]12C[N@@H+](Cc3ccccc3)C[C@@H]1COC2=O ZINC000002547047 342723709 /nfs/dbraw/zinc/72/37/09/342723709.db2.gz WYYLGDWDFHKZPL-TZMCWYRMSA-N 1 1 231.295 1.682 40 0 BDABMO Clc1ncnc2c1C[N@H+](C1CC1)CC2 ZINC000072221039 259319399 /nfs/dbraw/zinc/31/93/99/259319399.db2.gz MNIUVQUFLIAVQT-UHFFFAOYSA-N 1 1 209.680 1.651 40 0 BDABMO CCc1ccc([C@H]2[C@H]([NH3+])C(=O)N2C)cc1 ZINC000072228291 259322458 /nfs/dbraw/zinc/32/24/58/259322458.db2.gz ROAVTEYLLCLWHX-QWRGUYRKSA-N 1 1 204.273 1.089 40 0 BDABMO N[C@H](C[N@H+]1CCC[C@H]1CO)c1ccccc1 ZINC000242495501 259326204 /nfs/dbraw/zinc/32/62/04/259326204.db2.gz GFVQRGJVAZDQEI-QWHCGFSZSA-N 1 1 220.316 1.143 40 0 BDABMO [NH3+][C@H](CN1CCC[C@H]1CO)c1ccccc1 ZINC000242495501 259326205 /nfs/dbraw/zinc/32/62/05/259326205.db2.gz GFVQRGJVAZDQEI-QWHCGFSZSA-N 1 1 220.316 1.143 40 0 BDABMO CSc1ccc(C[NH2+]CCNCCO)cc1 ZINC000022074912 343039366 /nfs/dbraw/zinc/03/93/66/343039366.db2.gz IMDMKICFDBUVQR-UHFFFAOYSA-N 1 1 240.372 1.080 40 0 BDABMO O=S1(=O)C[C@]2([NH+]3CCCC3)CCCC[C@H]21 ZINC000031672285 343222673 /nfs/dbraw/zinc/22/26/73/343222673.db2.gz RLYYJMGLABZEAL-GHMZBOCLSA-N 1 1 229.345 1.192 40 0 BDABMO CC(=O)N1CC[NH2+][C@H](c2ccccc2)C1(C)C ZINC000031962374 343226884 /nfs/dbraw/zinc/22/68/84/343226884.db2.gz UHWZTDBZPTYYLU-CYBMUJFWSA-N 1 1 232.327 1.958 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccccc1Cl ZINC000096526034 343760015 /nfs/dbraw/zinc/76/00/15/343760015.db2.gz BDBXBHYBBKDUBT-ZJUUUORDSA-N 1 1 224.691 1.571 40 0 BDABMO NNc1[nH+]cc(Cl)cc1Br ZINC000161792290 344112244 /nfs/dbraw/zinc/11/22/44/344112244.db2.gz DKXCKMCHKMUUNB-UHFFFAOYSA-N 1 1 222.473 1.783 40 0 BDABMO C[N@H+]1C[C@@H]2CCN(C(=O)c3ccsc3)[C@@H]2C1 ZINC000585107623 344135098 /nfs/dbraw/zinc/13/50/98/344135098.db2.gz ALQLHJFBHMVPPA-GXSJLCMTSA-N 1 1 236.340 1.524 40 0 BDABMO Nc1cccc2c1ccn2Cc1[nH]cc[nH+]1 ZINC000257197662 344239884 /nfs/dbraw/zinc/23/98/84/344239884.db2.gz FZTUFQZNADUYLZ-UHFFFAOYSA-N 1 1 212.256 1.995 40 0 BDABMO CC(C)C[N@H+]1CC[C@@]2(CCN2c2ncccn2)C1 ZINC000096076128 344366362 /nfs/dbraw/zinc/36/63/62/344366362.db2.gz NAANVEHYGWXDKY-CQSZACIVSA-N 1 1 246.358 1.787 40 0 BDABMO O=C1CC[C@]2(CCC[N@H+](Cc3ncc[nH]3)C2)O1 ZINC000585282834 344401732 /nfs/dbraw/zinc/40/17/32/344401732.db2.gz IIZKRKNGWSLZMW-LBPRGKRZSA-N 1 1 235.287 1.081 40 0 BDABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ncc[nH]3)C2)O1 ZINC000585282834 344401733 /nfs/dbraw/zinc/40/17/33/344401733.db2.gz IIZKRKNGWSLZMW-LBPRGKRZSA-N 1 1 235.287 1.081 40 0 BDABMO CC(C)C[N@@H+](C(C)C)[C@H]1CNCC[C@@]1(C)O ZINC000300919545 537868169 /nfs/dbraw/zinc/86/81/69/537868169.db2.gz UBSCCVCQHXEPTB-QWHCGFSZSA-N 1 1 228.380 1.466 40 0 BDABMO CC(C)CN(C(C)C)[C@H]1C[NH2+]CC[C@@]1(C)O ZINC000300919545 537868184 /nfs/dbraw/zinc/86/81/84/537868184.db2.gz UBSCCVCQHXEPTB-QWHCGFSZSA-N 1 1 228.380 1.466 40 0 BDABMO CC[NH+]1CCN(Cc2ccc(C=O)cc2)CC1 ZINC000095738615 347122979 /nfs/dbraw/zinc/12/29/79/347122979.db2.gz NHJPADFEOVYQPI-UHFFFAOYSA-N 1 1 232.327 1.637 40 0 BDABMO Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N(C)C)n1 ZINC000072357209 179189613 /nfs/dbraw/zinc/18/96/13/179189613.db2.gz OIDBMJPAIHFWRB-ZDUSSCGKSA-N 1 1 247.342 1.615 40 0 BDABMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N(C)C)n1 ZINC000072357209 179189616 /nfs/dbraw/zinc/18/96/16/179189616.db2.gz OIDBMJPAIHFWRB-ZDUSSCGKSA-N 1 1 247.342 1.615 40 0 BDABMO CCOCC[N@H+]1CC[C@@H](c2nc(C)c[nH]2)C1 ZINC000205683680 347453616 /nfs/dbraw/zinc/45/36/16/347453616.db2.gz ZFERHVSTOGBKLF-LLVKDONJSA-N 1 1 223.320 1.544 40 0 BDABMO CCOCC[N@H+]1CC[C@H](c2nc(C)c[nH]2)C1 ZINC000205683659 347454115 /nfs/dbraw/zinc/45/41/15/347454115.db2.gz ZFERHVSTOGBKLF-NSHDSACASA-N 1 1 223.320 1.544 40 0 BDABMO c1csc(C[N@@H+]2CC[C@H](c3cc[nH]n3)C2)n1 ZINC000205687985 348575265 /nfs/dbraw/zinc/57/52/65/348575265.db2.gz DVHUBDCVGOMIJT-VIFPVBQESA-N 1 1 234.328 1.856 40 0 BDABMO c1csc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)n1 ZINC000205687985 348575267 /nfs/dbraw/zinc/57/52/67/348575267.db2.gz DVHUBDCVGOMIJT-VIFPVBQESA-N 1 1 234.328 1.856 40 0 BDABMO CC(C)[N@@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC000096062846 191054815 /nfs/dbraw/zinc/05/48/15/191054815.db2.gz JRJUAEOPLRDCGK-CYBMUJFWSA-N 1 1 230.311 1.908 40 0 BDABMO CC(C)[N@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC000096062846 191054816 /nfs/dbraw/zinc/05/48/16/191054816.db2.gz JRJUAEOPLRDCGK-CYBMUJFWSA-N 1 1 230.311 1.908 40 0 BDABMO Cc1ncnc2c1CC[N@@H+](C[C@@H]1CCOC1)CC2 ZINC000096254991 180291516 /nfs/dbraw/zinc/29/15/16/180291516.db2.gz BGXPTQSTVCJZQI-LBPRGKRZSA-N 1 1 247.342 1.222 40 0 BDABMO O=C(c1ccc(F)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932117 350322006 /nfs/dbraw/zinc/32/20/06/350322006.db2.gz VSSQENKHBSPCNR-CYBMUJFWSA-N 1 1 248.301 1.746 40 0 BDABMO COC(=O)[C@H]([NH3+])CS[C@H](C)c1ccccc1 ZINC000031961660 350403808 /nfs/dbraw/zinc/40/38/08/350403808.db2.gz DRAOUSWITXPINA-MWLCHTKSSA-N 1 1 239.340 1.981 40 0 BDABMO CC(C)[N@H+](C)[C@H]1CCCC[C@@H]1NCCO ZINC000079418526 188291416 /nfs/dbraw/zinc/29/14/16/188291416.db2.gz BKJJZGNQAKTVIZ-RYUDHWBXSA-N 1 1 214.353 1.220 40 0 BDABMO CC(C)[N@@H+](C)[C@H]1CCCC[C@@H]1NCCO ZINC000079418526 188291417 /nfs/dbraw/zinc/29/14/17/188291417.db2.gz BKJJZGNQAKTVIZ-RYUDHWBXSA-N 1 1 214.353 1.220 40 0 BDABMO CC(C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067800934 188305097 /nfs/dbraw/zinc/30/50/97/188305097.db2.gz ZAKSXYZRRWKMGM-SNVBAGLBSA-N 1 1 228.336 1.994 40 0 BDABMO BrC1=NO[C@H](C[NH+]2CCCCC2)C1 ZINC000095098363 188319418 /nfs/dbraw/zinc/31/94/18/188319418.db2.gz VTUGSDCDGNRCPA-QMMMGPOBSA-N 1 1 247.136 1.970 40 0 BDABMO Cc1c(N)n(-c2ccccn2)nc1C[NH+](C)C ZINC000026512265 357164077 /nfs/dbraw/zinc/16/40/77/357164077.db2.gz KGALTZYANIEWSU-UHFFFAOYSA-N 1 1 231.303 1.220 40 0 BDABMO O=C1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2N1 ZINC000019371700 368318466 /nfs/dbraw/zinc/31/84/66/368318466.db2.gz GJKKQZRBXZTOFB-OLZOCXBDSA-N 1 1 230.311 1.397 40 0 BDABMO Cc1c[nH]nc1[C@]1(C)C[N@@H+](CC2CC2)CCO1 ZINC000205679135 368357199 /nfs/dbraw/zinc/35/71/99/368357199.db2.gz RVBJPWITZUSFHD-ZDUSSCGKSA-N 1 1 235.331 1.676 40 0 BDABMO CC(C)[N@H+]1CC[C@@H](c2cc(CCO)on2)C1 ZINC000205701206 368359870 /nfs/dbraw/zinc/35/98/70/368359870.db2.gz OWMWJHWZIGYGAT-SNVBAGLBSA-N 1 1 224.304 1.407 40 0 BDABMO [NH3+][C@H]1C(=O)N(C2CC2)[C@@H]1c1ccccc1 ZINC000108314022 369387718 /nfs/dbraw/zinc/38/77/18/369387718.db2.gz PDMGDLUPZXULNF-GHMZBOCLSA-N 1 1 202.257 1.060 40 0 BDABMO CC(C)(C)N1C(=O)[C@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000256049605 370633588 /nfs/dbraw/zinc/63/35/88/370633588.db2.gz APZSWNIGUDUGQY-MNOVXSKESA-N 1 1 236.290 1.835 40 0 BDABMO O=S1(=O)C[C@@]2([NH+]3CCCCC3)CCCC[C@H]21 ZINC000001725411 182914696 /nfs/dbraw/zinc/91/46/96/182914696.db2.gz OOLYUTFOHFXSLT-NEPJUHHUSA-N 1 1 243.372 1.582 40 0 BDABMO OCC[N@H+](Cc1cccs1)C[C@H]1CCOC1 ZINC000013997456 183069618 /nfs/dbraw/zinc/06/96/18/183069618.db2.gz ATHJADXEKOGRAI-LLVKDONJSA-N 1 1 241.356 1.579 40 0 BDABMO OCC[N@@H+](Cc1ccccc1F)C1CC1 ZINC000048065348 183070533 /nfs/dbraw/zinc/07/05/33/183070533.db2.gz KUOJJNMPXQLOTM-UHFFFAOYSA-N 1 1 209.264 1.782 40 0 BDABMO c1ccc(CN2C[C@H]3C[NH2+]C[C@H](C3)C2)cc1 ZINC000000405306 383865778 /nfs/dbraw/zinc/86/57/78/383865778.db2.gz KAAITWOSDOCHEH-OKILXGFUSA-N 1 1 216.328 1.728 40 0 BDABMO CN(C)CCC[NH+]1C[C@H]2CC=CC[C@@H]2C1 ZINC000001682884 383922621 /nfs/dbraw/zinc/92/26/21/383922621.db2.gz KSKOQEQIRRUHFO-CHWSQXEVSA-N 1 1 208.349 1.836 40 0 BDABMO C[N@@H+](CCO)Cc1ccc(Br)nc1 ZINC000079421505 384142128 /nfs/dbraw/zinc/14/21/28/384142128.db2.gz HZBPJRXWYTVUPZ-UHFFFAOYSA-N 1 1 245.120 1.268 40 0 BDABMO CC(C)[N@@H+](CCO)[C@@H](C)c1ccccn1 ZINC000079421735 384144272 /nfs/dbraw/zinc/14/42/72/384144272.db2.gz YFGBJFKWCOZWES-NSHDSACASA-N 1 1 208.305 1.845 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000072228285 384202956 /nfs/dbraw/zinc/20/29/56/384202956.db2.gz QZJGSLDHBOPDRJ-BDAKNGLRSA-N 1 1 210.664 1.180 40 0 BDABMO CNc1cc([C@@H]2CCC[N@@H+](C)C2)nc(C)n1 ZINC000072350702 384211788 /nfs/dbraw/zinc/21/17/88/384211788.db2.gz OHMLIHDAHRFOAG-SNVBAGLBSA-N 1 1 220.320 1.636 40 0 BDABMO Cc1cc(C2CC[NH+](CC(N)=O)CC2)ccn1 ZINC000072366580 384214599 /nfs/dbraw/zinc/21/45/99/384214599.db2.gz NRFODTRMXBWLLF-UHFFFAOYSA-N 1 1 233.315 1.055 40 0 BDABMO CN(C)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000072381250 384217632 /nfs/dbraw/zinc/21/76/32/384217632.db2.gz ZDQAUSSZYFTLRN-LLVKDONJSA-N 1 1 205.305 1.914 40 0 BDABMO C[C@@H]([NH3+])c1nc(-c2ccc(O)cc2)n[nH]1 ZINC000061843915 384383301 /nfs/dbraw/zinc/38/33/01/384383301.db2.gz ULNOECSBYOKOHC-ZCFIWIBFSA-N 1 1 204.233 1.197 40 0 BDABMO Cc1ccc(C[N@H+]2CC[C@H]3NC(=O)C[C@@H]32)s1 ZINC000096245725 384445525 /nfs/dbraw/zinc/44/55/25/384445525.db2.gz KRRHHNIMYDBJNW-MNOVXSKESA-N 1 1 236.340 1.519 40 0 BDABMO CO[C@@H]1CC[N@@H+](CCO)[C@H]1Cc1ccccc1 ZINC000096261287 384447415 /nfs/dbraw/zinc/44/74/15/384447415.db2.gz DTOJIVKDEHFSOZ-UONOGXRCSA-N 1 1 235.327 1.311 40 0 BDABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccco3)CC2)N1 ZINC000096047434 384428500 /nfs/dbraw/zinc/42/85/00/384428500.db2.gz XXQFJNGEJZPGJL-CQSZACIVSA-N 1 1 248.326 1.914 40 0 BDABMO CO[C@H]1C[N@@H+](Cc2cccnc2)[C@@H]2CCCO[C@@H]21 ZINC000096057411 384430943 /nfs/dbraw/zinc/43/09/43/384430943.db2.gz XZONIONNWKQLQW-RDBSUJKOSA-N 1 1 248.326 1.460 40 0 BDABMO COc1ncnc2c1CC[N@@H+](CC1CC1)CC2 ZINC000096058748 384432326 /nfs/dbraw/zinc/43/23/26/384432326.db2.gz SEYDYSAFMLWWCE-UHFFFAOYSA-N 1 1 233.315 1.296 40 0 BDABMO Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)CNC(=O)[C@@H]3C)o1 ZINC000096092769 384434841 /nfs/dbraw/zinc/43/48/41/384434841.db2.gz PNCSJVBFDKKJNW-MDZLAQPJSA-N 1 1 248.326 1.402 40 0 BDABMO O=C1NCC[C@@]12CCC[N@@H+](Cc1ccoc1)C2 ZINC000096223789 384442015 /nfs/dbraw/zinc/44/20/15/384442015.db2.gz VFEGKQAGVQMSTH-CYBMUJFWSA-N 1 1 234.299 1.382 40 0 BDABMO CO[C@@H]1CO[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096218349 384443324 /nfs/dbraw/zinc/44/33/24/384443324.db2.gz VEKMASJUMRBDAS-KBPBESRZSA-N 1 1 248.326 1.461 40 0 BDABMO [NH3+][C@H]1CCN2CCc3ccccc3[C@@H]2C1 ZINC000102226981 384701063 /nfs/dbraw/zinc/70/10/63/384701063.db2.gz HNIYDVDUPHDDRF-AAEUAGOBSA-N 1 1 202.301 1.707 40 0 BDABMO CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000052851963 384750855 /nfs/dbraw/zinc/75/08/55/384750855.db2.gz WXVKQTMTLLGYBJ-CYBMUJFWSA-N 1 1 218.300 1.522 40 0 BDABMO CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000052851963 384750861 /nfs/dbraw/zinc/75/08/61/384750861.db2.gz WXVKQTMTLLGYBJ-CYBMUJFWSA-N 1 1 218.300 1.522 40 0 BDABMO [NH3+]CC(=O)c1cc(F)cc(Br)c1 ZINC000059454260 385049223 /nfs/dbraw/zinc/04/92/23/385049223.db2.gz XVUCPPPAXFMIPS-UHFFFAOYSA-N 1 1 232.052 1.730 40 0 BDABMO C=Cc1ccc(N2CCN(C(C)=O)CC2)[nH+]c1C ZINC000072224788 385120048 /nfs/dbraw/zinc/12/00/48/385120048.db2.gz MZSYHSGACQIWGB-UHFFFAOYSA-N 1 1 245.326 1.702 40 0 BDABMO CNc1ccc([C@H]2CCCN2C=O)c(C)[nH+]1 ZINC000072219088 385102896 /nfs/dbraw/zinc/10/28/96/385102896.db2.gz DBCDFCDPWHXRKM-LLVKDONJSA-N 1 1 219.288 1.725 40 0 BDABMO CCCn1nc(C)cc1CN(C)CCCC[NH3+] ZINC000096523775 385266848 /nfs/dbraw/zinc/26/68/48/385266848.db2.gz KAVGVOWTKYFWBM-UHFFFAOYSA-N 1 1 238.379 1.772 40 0 BDABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257238757 385755630 /nfs/dbraw/zinc/75/56/30/385755630.db2.gz HMKFLVXJMBSEHP-SNVBAGLBSA-N 1 1 231.303 1.431 40 0 BDABMO Cc1c[nH]c([C@@H]2CC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257238757 385755634 /nfs/dbraw/zinc/75/56/34/385755634.db2.gz HMKFLVXJMBSEHP-SNVBAGLBSA-N 1 1 231.303 1.431 40 0 BDABMO Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257238757 385755639 /nfs/dbraw/zinc/75/56/39/385755639.db2.gz HMKFLVXJMBSEHP-SNVBAGLBSA-N 1 1 231.303 1.431 40 0 BDABMO Cn1cccc1C[N@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000257305977 385761191 /nfs/dbraw/zinc/76/11/91/385761191.db2.gz SSIFOJVDHHCWRA-LLVKDONJSA-N 1 1 230.315 1.738 40 0 BDABMO Cn1cccc1C[N@@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000257305977 385761195 /nfs/dbraw/zinc/76/11/95/385761195.db2.gz SSIFOJVDHHCWRA-LLVKDONJSA-N 1 1 230.315 1.738 40 0 BDABMO Cn1cccc1C[N@H+]1CC[C@@H](c2ccn[nH]2)C1 ZINC000257305977 385761199 /nfs/dbraw/zinc/76/11/99/385761199.db2.gz SSIFOJVDHHCWRA-LLVKDONJSA-N 1 1 230.315 1.738 40 0 BDABMO O=C1C[N@H+](Cc2ccccc2)C2(CCC2)CN1 ZINC000306145731 385995287 /nfs/dbraw/zinc/99/52/87/385995287.db2.gz OSSDIVQYPDKHBE-UHFFFAOYSA-N 1 1 230.311 1.541 40 0 BDABMO O=C1C[N@@H+](Cc2ccccc2)C2(CCC2)CN1 ZINC000306145731 385995295 /nfs/dbraw/zinc/99/52/95/385995295.db2.gz OSSDIVQYPDKHBE-UHFFFAOYSA-N 1 1 230.311 1.541 40 0 BDABMO c1ccc([C@H]2C[N@H+]3CCC[C@H]3CN2)cc1 ZINC000039957299 386157941 /nfs/dbraw/zinc/15/79/41/386157941.db2.gz VVTXUMOBQPCULI-QWHCGFSZSA-N 1 1 202.301 1.795 40 0 BDABMO CCCC[C@H]1C[C@H](O)C[N@H+]1CCOC ZINC000217881850 387202033 /nfs/dbraw/zinc/20/20/33/387202033.db2.gz BXTVTPFYUDYCPX-QWRGUYRKSA-N 1 1 201.310 1.258 40 0 BDABMO Cn1nccc1C[NH2+]Cc1cc(F)ccc1F ZINC000020354207 387848856 /nfs/dbraw/zinc/84/88/56/387848856.db2.gz BAOJUQMASFSGCO-UHFFFAOYSA-N 1 1 237.253 1.988 40 0 BDABMO Nc1ccc(N[C@H]2CC[C@@H](O)CC2)[nH+]c1 ZINC000238579781 387940462 /nfs/dbraw/zinc/94/04/62/387940462.db2.gz PSJLVIOGQMEMPY-MGCOHNPYSA-N 1 1 207.277 1.379 40 0 BDABMO C[N@H+]1C[C@@H](CO)[C@@H](c2ccc3c(c2)OCO3)C1 ZINC000225609312 388623099 /nfs/dbraw/zinc/62/30/99/388623099.db2.gz SWAUYCLOTDOUDN-WDEREUQCSA-N 1 1 235.283 1.053 40 0 BDABMO CCOc1ccc(C(=O)C[NH3+])cc1OCC ZINC000074369274 388649962 /nfs/dbraw/zinc/64/99/62/388649962.db2.gz BROSZWCMJDEKMV-UHFFFAOYSA-N 1 1 223.272 1.625 40 0 BDABMO Cc1nnc([C@@H]([NH3+])Cc2ccccc2)o1 ZINC000011586918 388708066 /nfs/dbraw/zinc/70/80/66/388708066.db2.gz LNJJVRCEYCYVOE-JTQLQIEISA-N 1 1 203.245 1.621 40 0 BDABMO Nc1n[nH]c([C@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095534053 388776511 /nfs/dbraw/zinc/77/65/11/388776511.db2.gz QHMRXHVJQWYKRG-SSDOTTSWSA-N 1 1 223.667 1.088 40 0 BDABMO Cn1cnc([C@@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533371 388776933 /nfs/dbraw/zinc/77/69/33/388776933.db2.gz NVHPOESOHSLZJJ-VIFPVBQESA-N 1 1 206.224 1.002 40 0 BDABMO Nc1cc(N2CCC[C@H](c3cc[nH]n3)C2)nc[nH+]1 ZINC000072357410 132396269 /nfs/dbraw/zinc/39/62/69/132396269.db2.gz OETUXFRXDXAAAI-VIFPVBQESA-N 1 1 244.302 1.166 40 0 BDABMO CC(C)[NH+]1CCN(CCCCC[NH3+])CC1 ZINC000037049321 397968703 /nfs/dbraw/zinc/96/87/03/397968703.db2.gz METSGVKKTGURTJ-UHFFFAOYSA-N 1 1 213.369 1.141 40 0 BDABMO CCC(=O)CCCCC[C@H]([NH3+])C(=O)OC ZINC000065734269 168199036 /nfs/dbraw/zinc/19/90/36/168199036.db2.gz FHUSGPXSOOHYNA-JTQLQIEISA-N 1 1 215.293 1.416 40 0 BDABMO CC[N@H+]1CCc2nc(NC#N)nc(C)c2C1 ZINC000049474134 170025850 /nfs/dbraw/zinc/02/58/50/170025850.db2.gz WSSJPEJGBVIPEX-UHFFFAOYSA-N 1 1 217.276 1.056 40 0 BDABMO CCOCC[N@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257253365 170397572 /nfs/dbraw/zinc/39/75/72/170397572.db2.gz JYPGHPLGFHOVRY-LBPRGKRZSA-N 1 1 237.347 1.701 40 0 BDABMO CCOCC[N@@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000257253365 170397574 /nfs/dbraw/zinc/39/75/74/170397574.db2.gz JYPGHPLGFHOVRY-LBPRGKRZSA-N 1 1 237.347 1.701 40 0 BDABMO CCOCC[N@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000257253365 170397576 /nfs/dbraw/zinc/39/75/76/170397576.db2.gz JYPGHPLGFHOVRY-LBPRGKRZSA-N 1 1 237.347 1.701 40 0 BDABMO CCn1nc(C)c([C@H]2COCC[NH2+]2)c1C ZINC000217457261 172248288 /nfs/dbraw/zinc/24/82/88/172248288.db2.gz YMZDBLOVCRWVTE-SNVBAGLBSA-N 1 1 209.293 1.181 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)NCc2ccccc2)C1 ZINC000082305170 173039130 /nfs/dbraw/zinc/03/91/30/173039130.db2.gz XNRKFWDLNLERKB-ZDUSSCGKSA-N 1 1 232.327 1.645 40 0 BDABMO CN1CC[N@H+](C2CCOCC2)Cc2cccnc21 ZINC000096069173 173077060 /nfs/dbraw/zinc/07/70/60/173077060.db2.gz UBOJUMRRYJTWSA-UHFFFAOYSA-N 1 1 247.342 1.512 40 0 BDABMO C[N@H+]1CC[C@H](c2nnc(-c3ccncc3)o2)C1 ZINC000049169574 173158063 /nfs/dbraw/zinc/15/80/63/173158063.db2.gz BAKJJKJYSBFEHX-JTQLQIEISA-N 1 1 230.271 1.551 40 0 biogenic,in-vitro BDABMO C[N@@H+]1C[C@@H](c2ccccc2F)[C@H](CO)C1 ZINC000217672247 173183583 /nfs/dbraw/zinc/18/35/83/173183583.db2.gz XTRXJCILCOVILR-GXSJLCMTSA-N 1 1 209.264 1.463 40 0 BDABMO COc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2N)cc1 ZINC000218873155 175091954 /nfs/dbraw/zinc/09/19/54/175091954.db2.gz DBCVSLJONOHOAC-UONOGXRCSA-N 1 1 234.343 1.707 40 0 BDABMO COc1cccc(C[N@@H+](CCO)C2CC2)c1 ZINC000048065104 175256768 /nfs/dbraw/zinc/25/67/68/175256768.db2.gz VXVMVSNKXCWBEO-UHFFFAOYSA-N 1 1 221.300 1.652 40 0 BDABMO COc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000038538848 175259970 /nfs/dbraw/zinc/25/99/70/175259970.db2.gz LPYMTQJBJKJOAF-LLVKDONJSA-N 1 1 207.273 1.262 40 0 BDABMO COc1cccc([C@@H]([NH3+])c2nnc(C3CC3)[nH]2)c1 ZINC000095533591 175289238 /nfs/dbraw/zinc/28/92/38/175289238.db2.gz HFVPYCLMKZTDQQ-LLVKDONJSA-N 1 1 244.298 1.739 40 0 BDABMO C[C@H]1CCCC[N@H+]1Cc1cc(N)n(C)n1 ZINC000058083859 177076574 /nfs/dbraw/zinc/07/65/74/177076574.db2.gz FAUBRMXALMACSJ-VIFPVBQESA-N 1 1 208.309 1.377 40 0 BDABMO C[C@H]1CNC[C@H](C)[NH+]1Cc1ccccc1 ZINC000019364816 177286359 /nfs/dbraw/zinc/28/63/59/177286359.db2.gz BNPHYNQCHNBJEL-RYUDHWBXSA-N 1 1 204.317 1.869 40 0 BDABMO CCCOc1ccc(C[NH2+]CCN)cc1 ZINC000037712630 323107876 /nfs/dbraw/zinc/10/78/76/323107876.db2.gz WFYMNJISAPTCER-UHFFFAOYSA-N 1 1 208.305 1.524 40 0 BDABMO CC(C)[N@@H+](CCO)[C@H]1CCCC[C@H]1N(C)C ZINC000248022619 519649497 /nfs/dbraw/zinc/64/94/97/519649497.db2.gz FUGWAFHEEDYZQR-OLZOCXBDSA-N 1 1 228.380 1.562 40 0 BDABMO CC(C)N(CCO)[C@H]1CCCC[C@H]1[NH+](C)C ZINC000248022619 519649500 /nfs/dbraw/zinc/64/95/00/519649500.db2.gz FUGWAFHEEDYZQR-OLZOCXBDSA-N 1 1 228.380 1.562 40 0 BDABMO Cc1cc(Br)c[nH+]c1N(C)N ZINC000199546060 526174658 /nfs/dbraw/zinc/17/46/58/526174658.db2.gz NWOWXZPOCCBNQO-UHFFFAOYSA-N 1 1 216.082 1.462 40 0 BDABMO NNc1[nH+]cc(Br)cc1Cl ZINC000146293920 527286678 /nfs/dbraw/zinc/28/66/78/527286678.db2.gz IYGAESOPIUEMRW-UHFFFAOYSA-N 1 1 222.473 1.783 40 0 BDABMO O=C(OCc1ccccc1)N1CCC[NH2+]C1 ZINC000306887940 643663422 /nfs/dbraw/zinc/66/34/22/643663422.db2.gz VGAPMZVOJGEMSA-UHFFFAOYSA-N 1 1 220.272 1.576 40 0 BDABMO CC[N@H+]1CCC[C@@H](c2cc(CCO)n[nH]2)C1 ZINC000072383162 343980104 /nfs/dbraw/zinc/98/01/04/343980104.db2.gz HCVRAZGEMKDLIT-SNVBAGLBSA-N 1 1 223.320 1.144 40 0 BDABMO CC[N@@H+]1CCC[C@@H](c2cc(CCO)[nH]n2)C1 ZINC000072383162 343980105 /nfs/dbraw/zinc/98/01/05/343980105.db2.gz HCVRAZGEMKDLIT-SNVBAGLBSA-N 1 1 223.320 1.144 40 0 BDABMO CC[N@H+]1CCC[C@@H](c2cc(CCO)[nH]n2)C1 ZINC000072383162 343980107 /nfs/dbraw/zinc/98/01/07/343980107.db2.gz HCVRAZGEMKDLIT-SNVBAGLBSA-N 1 1 223.320 1.144 40 0 BDABMO CCN(CC)C(=O)OCC[N@@H+](C)CC ZINC000001671853 342707991 /nfs/dbraw/zinc/70/79/91/342707991.db2.gz DIRVOHPJPKNDFD-UHFFFAOYSA-N 1 1 202.298 1.417 40 0 BDABMO [NH3+][C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1 ZINC000072227217 259322919 /nfs/dbraw/zinc/32/29/19/259322919.db2.gz ZQPGBXZKMDIHCU-NEPJUHHUSA-N 1 1 246.241 1.834 40 0 BDABMO Cc1ccc2c(c1)CN[C@H](C[NH+](C)C)CO2 ZINC000019219561 342944221 /nfs/dbraw/zinc/94/42/21/342944221.db2.gz HRFOGLRNCLGEPG-GFCCVEGCSA-N 1 1 220.316 1.407 40 0 BDABMO COC(=O)[C@@H](C(C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000022123328 343040377 /nfs/dbraw/zinc/04/03/77/343040377.db2.gz RJCDTPYRVVDLGC-GHMZBOCLSA-N 1 1 213.321 1.916 40 0 BDABMO CC[N@@H+](Cc1ccccc1)[C@H]1CCN(CCO)C1 ZINC000079414172 343400666 /nfs/dbraw/zinc/40/06/66/343400666.db2.gz VGMOOKQYMFPMTM-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CCN(Cc1ccccc1)[C@H]1CC[N@H+](CCO)C1 ZINC000079414172 343400669 /nfs/dbraw/zinc/40/06/69/343400669.db2.gz VGMOOKQYMFPMTM-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CCN(Cc1ccccc1)[C@H]1CC[N@@H+](CCO)C1 ZINC000079414172 343400672 /nfs/dbraw/zinc/40/06/72/343400672.db2.gz VGMOOKQYMFPMTM-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO C[N@H+]1C[C@H]2CCN(C(=O)c3cccc(F)c3)[C@H]2C1 ZINC000585107651 344135006 /nfs/dbraw/zinc/13/50/06/344135006.db2.gz FVJUDDRDRDTKJG-YPMHNXCESA-N 1 1 248.301 1.602 40 0 BDABMO C[N@H+]1CCC[C@@H](c2cncc(-c3ncco3)n2)C1 ZINC000585261114 344372893 /nfs/dbraw/zinc/37/28/93/344372893.db2.gz YWPCLZYYTURCQW-SNVBAGLBSA-N 1 1 244.298 1.941 40 0 BDABMO O=C1C=C2C=C[C@@H]3C[C@@]2(O1)[C@@H]1CCCC[N@H+]31 ZINC000003644791 346240573 /nfs/dbraw/zinc/24/05/73/346240573.db2.gz SWZMSZQQJRKFBP-MDZLAQPJSA-N 1 1 217.268 1.405 40 0 BDABMO Cc1cccc(C[N@H+]2CC[C@H](O)C2)c1F ZINC000038538809 179082037 /nfs/dbraw/zinc/08/20/37/179082037.db2.gz SLDYGPSBLPFNEC-NSHDSACASA-N 1 1 209.264 1.701 40 0 BDABMO Cc1cccc(C[N@H+]2CC[C@@H](O)C2)c1F ZINC000038538812 179078689 /nfs/dbraw/zinc/07/86/89/179078689.db2.gz SLDYGPSBLPFNEC-LLVKDONJSA-N 1 1 209.264 1.701 40 0 BDABMO Cc1cccc(C[N@H+]2CC[C@@H](O)C2)c1C ZINC000038538737 179079283 /nfs/dbraw/zinc/07/92/83/179079283.db2.gz DOQXDHDTWQRJCI-CYBMUJFWSA-N 1 1 205.301 1.870 40 0 BDABMO CC[NH+]1CCN(C(=O)c2cccc(N)c2)CC1 ZINC000019260985 347199562 /nfs/dbraw/zinc/19/95/62/347199562.db2.gz SMJRVNIQVDLORR-UHFFFAOYSA-N 1 1 233.315 1.047 40 0 BDABMO CN(C)C(=O)c1cccc([C@@H]2CCC[N@H+]2C)n1 ZINC000205697318 348576483 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/nfs/dbraw/zinc/37/45/64/350374564.db2.gz IBMNBEJQLXUUIC-UHFFFAOYSA-N 1 1 201.273 1.738 40 0 BDABMO FC(F)(F)Cc1noc([C@H]2CCCC[NH2+]2)n1 ZINC000042413027 180886831 /nfs/dbraw/zinc/88/68/31/180886831.db2.gz DTYBFUUREDZJGA-ZCFIWIBFSA-N 1 1 235.209 1.989 40 0 BDABMO COc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000038538977 188283375 /nfs/dbraw/zinc/28/33/75/188283375.db2.gz FVNIYVNCXKSWBF-NSHDSACASA-N 1 1 207.273 1.262 40 0 BDABMO Cc1cc(C)n([C@@H](C)C[NH2+]CC(F)F)n1 ZINC000047474234 188297598 /nfs/dbraw/zinc/29/75/98/188297598.db2.gz AKTQCEGEJDCSGM-VIFPVBQESA-N 1 1 217.263 1.916 40 0 BDABMO CC(C)[N@H+]1CCC[C@H](c2cccc(C(N)=O)n2)C1 ZINC000072356939 188307027 /nfs/dbraw/zinc/30/70/27/188307027.db2.gz KKHVEJRECIKNHZ-NSHDSACASA-N 1 1 247.342 1.768 40 0 BDABMO CC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2Cc1ccccn1 ZINC000096184730 188321558 /nfs/dbraw/zinc/32/15/58/188321558.db2.gz RZVXZRNBLNJKJQ-UONOGXRCSA-N 1 1 245.326 1.277 40 0 BDABMO CC(C)(C)c1cc(CN2CCC[C@@H]([NH3+])C2)n[nH]1 ZINC000096523542 188321662 /nfs/dbraw/zinc/32/16/62/188321662.db2.gz VMNXHSGITBYWEK-SNVBAGLBSA-N 1 1 236.363 1.630 40 0 BDABMO CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@@H]2[NH2+]1 ZINC000219774015 188356189 /nfs/dbraw/zinc/35/61/89/188356189.db2.gz ZKQFKCSGDYCDAX-GUBZILKMSA-N 1 1 225.288 1.039 40 0 BDABMO Cn1ccc(C[NH2+]Cc2ccc(F)cc2)n1 ZINC000002536091 357336650 /nfs/dbraw/zinc/33/66/50/357336650.db2.gz YMLZJWMMHLHDBE-UHFFFAOYSA-N 1 1 219.263 1.849 40 0 BDABMO COc1cc(C[NH2+]Cc2ccn(C)n2)ccc1O ZINC000020352605 357339434 /nfs/dbraw/zinc/33/94/34/357339434.db2.gz OYUSIAAIIDNPSK-UHFFFAOYSA-N 1 1 247.298 1.424 40 0 BDABMO NC1(c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000098213749 181335422 /nfs/dbraw/zinc/33/54/22/181335422.db2.gz UJNZKCWXWZHQBE-UHFFFAOYSA-N 1 1 210.708 1.877 40 0 BDABMO [NH3+]CC1=CCCN(Cc2ccccc2)C1 ZINC000090608708 181364369 /nfs/dbraw/zinc/36/43/69/181364369.db2.gz ANFFEGIUXFJRJN-UHFFFAOYSA-N 1 1 202.301 1.777 40 0 BDABMO O=C1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2N1 ZINC000019371703 368319554 /nfs/dbraw/zinc/31/95/54/368319554.db2.gz GJKKQZRBXZTOFB-STQMWFEESA-N 1 1 230.311 1.397 40 0 BDABMO O=C1NCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000114863723 368342805 /nfs/dbraw/zinc/34/28/05/368342805.db2.gz KLBIDDAWGHRPBL-CHWSQXEVSA-N 1 1 230.311 1.255 40 0 BDABMO Cc1nccc([C@]2(C)CCC[N@@H+](CCO)C2)n1 ZINC000205678347 368357070 /nfs/dbraw/zinc/35/70/70/368357070.db2.gz JIWNTMGVMMBXDD-CYBMUJFWSA-N 1 1 235.331 1.131 40 0 BDABMO OCC[N@@H+](C[C@@H]1COc2ccccc2O1)C1CC1 ZINC000048065503 183068847 /nfs/dbraw/zinc/06/88/47/183068847.db2.gz HVTNANVHJNGBOX-GFCCVEGCSA-N 1 1 249.310 1.283 40 0 BDABMO OCC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031938710 183091797 /nfs/dbraw/zinc/09/17/97/183091797.db2.gz OEDZWYHYDHTDHC-ZDUSSCGKSA-N 1 1 221.300 1.442 40 0 BDABMO OCCc1cc([C@@H]2CC[N@H+](C3CCCC3)C2)[nH]n1 ZINC000257201834 183100217 /nfs/dbraw/zinc/10/02/17/183100217.db2.gz AJFBDKGDWAGGMS-LLVKDONJSA-N 1 1 249.358 1.676 40 0 BDABMO OCCc1cc([C@@H]2CC[N@@H+](C3CCCC3)C2)n[nH]1 ZINC000257201834 183100219 /nfs/dbraw/zinc/10/02/19/183100219.db2.gz AJFBDKGDWAGGMS-LLVKDONJSA-N 1 1 249.358 1.676 40 0 BDABMO OCCc1cc([C@@H]2CC[N@H+](C3CCCC3)C2)n[nH]1 ZINC000257201834 183100220 /nfs/dbraw/zinc/10/02/20/183100220.db2.gz AJFBDKGDWAGGMS-LLVKDONJSA-N 1 1 249.358 1.676 40 0 BDABMO c1c(-c2ccccn2)n[nH]c1N1CCC[NH2+]CC1 ZINC000071328700 183379300 /nfs/dbraw/zinc/37/93/00/183379300.db2.gz VZFADBUHURHJEL-UHFFFAOYSA-N 1 1 243.314 1.271 40 0 BDABMO CCCNC(=O)c1cc([C@H]2CCC[N@H+]2C)ccn1 ZINC000257323422 169250725 /nfs/dbraw/zinc/25/07/25/169250725.db2.gz WKCBBIIVWBMWEH-CYBMUJFWSA-N 1 1 247.342 1.988 40 0 BDABMO CCCOC(=O)[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC000001679146 169299910 /nfs/dbraw/zinc/29/99/10/169299910.db2.gz PCFVZINRWMVPEB-LBPRGKRZSA-N 1 1 237.299 1.518 40 0 BDABMO CC[N@@H+](CCO)Cc1ccccc1OC ZINC000049754574 383824497 /nfs/dbraw/zinc/82/44/97/383824497.db2.gz IEGOKZRNCVZZPA-UHFFFAOYSA-N 1 1 209.289 1.509 40 0 BDABMO C[N@@H+](CCO)[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393485 384132830 /nfs/dbraw/zinc/13/28/30/384132830.db2.gz MTRQJONYPRIQNA-AWEZNQCLSA-N 1 1 234.343 1.185 40 0 BDABMO CN(CCO)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393485 384132838 /nfs/dbraw/zinc/13/28/38/384132838.db2.gz MTRQJONYPRIQNA-AWEZNQCLSA-N 1 1 234.343 1.185 40 0 BDABMO CN(CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393485 384132845 /nfs/dbraw/zinc/13/28/45/384132845.db2.gz MTRQJONYPRIQNA-AWEZNQCLSA-N 1 1 234.343 1.185 40 0 BDABMO NC[C@H](CO)C1([NH+]2CCCCC2)CCCC1 ZINC000072210389 384154083 /nfs/dbraw/zinc/15/40/83/384154083.db2.gz LFHVZPSMNZIOHO-GFCCVEGCSA-N 1 1 226.364 1.352 40 0 BDABMO C[N@H+](CCO)Cc1cnc(Cl)s1 ZINC000079421958 384142441 /nfs/dbraw/zinc/14/24/41/384142441.db2.gz SDTPKDSZGXZDGI-UHFFFAOYSA-N 1 1 206.698 1.221 40 0 BDABMO C[N@@H+](CCO)Cc1cnc(Cl)s1 ZINC000079421958 384142447 /nfs/dbraw/zinc/14/24/47/384142447.db2.gz SDTPKDSZGXZDGI-UHFFFAOYSA-N 1 1 206.698 1.221 40 0 BDABMO [NH3+][C@H]1C[C@@]12CCCN(Cc1ccccc1)C2 ZINC000076646001 384233793 /nfs/dbraw/zinc/23/37/93/384233793.db2.gz HRHOQWHMSDKGIB-UONOGXRCSA-N 1 1 216.328 2.000 40 0 BDABMO Cc1ccc([C@@H]2CCC[N@@H+](CCO)C2)nc1 ZINC000072381327 384217136 /nfs/dbraw/zinc/21/71/36/384217136.db2.gz KQZXWJZCXZNLEG-GFCCVEGCSA-N 1 1 220.316 1.562 40 0 BDABMO CC(C)C(=O)N1CCC(Cc2[nH+]ccn2C)CC1 ZINC000072383255 384219758 /nfs/dbraw/zinc/21/97/58/384219758.db2.gz AVEHJUVFGJSKKG-UHFFFAOYSA-N 1 1 249.358 1.857 40 0 BDABMO C=Cn1cc(C[N@H+]2CCC[C@H](CO)C2)c(C)n1 ZINC000072397825 384221294 /nfs/dbraw/zinc/22/12/94/384221294.db2.gz ANTCZZJIITYNDD-LBPRGKRZSA-N 1 1 235.331 1.496 40 0 BDABMO CO[C@@H]1C[N@H+](C)Cc2cc3c(cc21)OCO3 ZINC000095470377 384378495 /nfs/dbraw/zinc/37/84/95/384378495.db2.gz UWGQVQJZBSETNY-GFCCVEGCSA-N 1 1 221.256 1.548 40 0 BDABMO CO[C@@H]1C[N@@H+](C)Cc2cc3c(cc21)OCO3 ZINC000095470377 384378502 /nfs/dbraw/zinc/37/85/02/384378502.db2.gz UWGQVQJZBSETNY-GFCCVEGCSA-N 1 1 221.256 1.548 40 0 BDABMO COCc1n[nH]c2c1C[N@@H+](C1CCOCC1)C2 ZINC000096260210 384446412 /nfs/dbraw/zinc/44/64/12/384446412.db2.gz VSDZCEMVRIJILV-UHFFFAOYSA-N 1 1 237.303 1.051 40 0 BDABMO COCc1n[nH]c2c1C[N@H+](C1CCOCC1)C2 ZINC000096260210 384446416 /nfs/dbraw/zinc/44/64/16/384446416.db2.gz VSDZCEMVRIJILV-UHFFFAOYSA-N 1 1 237.303 1.051 40 0 BDABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccoc3)CC2)N1 ZINC000096047438 384429985 /nfs/dbraw/zinc/42/99/85/384429985.db2.gz IDUFQBPOIYDJKI-CQSZACIVSA-N 1 1 248.326 1.914 40 0 BDABMO COC[C@H]1Cn2ccnc2C[N@@H+](CC2CC2)C1 ZINC000096059104 384430897 /nfs/dbraw/zinc/43/08/97/384430897.db2.gz HPWHLITYYQDICC-GFCCVEGCSA-N 1 1 235.331 1.371 40 0 BDABMO COC[C@@]12CCCO[C@@H]1CC[N@@H+](CC1CC1)C2 ZINC000096056767 384431728 /nfs/dbraw/zinc/43/17/28/384431728.db2.gz UDHXMYVILOGCFL-KGLIPLIRSA-N 1 1 239.359 1.914 40 0 BDABMO COC[C@H]1C[N@@H+](CC2CC2)Cc2ncn(C)c21 ZINC000096060199 384431825 /nfs/dbraw/zinc/43/18/25/384431825.db2.gz BNPNIFUGXLJJOS-LLVKDONJSA-N 1 1 235.331 1.376 40 0 BDABMO Cn1cccc1C[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC000096073912 384431946 /nfs/dbraw/zinc/43/19/46/384431946.db2.gz FGHSBQBGFUJLMH-AWEZNQCLSA-N 1 1 247.342 1.127 40 0 BDABMO CO[C@@H]1CO[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096218344 384443081 /nfs/dbraw/zinc/44/30/81/384443081.db2.gz VEKMASJUMRBDAS-UONOGXRCSA-N 1 1 248.326 1.461 40 0 BDABMO CCN(CCC(N)=[NH2+])Cc1ccccc1 ZINC000020486560 384618424 /nfs/dbraw/zinc/61/84/24/384618424.db2.gz GWICGDRSUPASOY-UHFFFAOYSA-N 1 1 205.305 1.835 40 0 BDABMO CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000052851964 384750762 /nfs/dbraw/zinc/75/07/62/384750762.db2.gz WXVKQTMTLLGYBJ-ZDUSSCGKSA-N 1 1 218.300 1.522 40 0 BDABMO CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000052851964 384750768 /nfs/dbraw/zinc/75/07/68/384750768.db2.gz WXVKQTMTLLGYBJ-ZDUSSCGKSA-N 1 1 218.300 1.522 40 0 BDABMO c1ccc2[nH]c(CC[NH+]3CCOCC3)nc2c1 ZINC000031559660 385084200 /nfs/dbraw/zinc/08/42/00/385084200.db2.gz CKRDLQLQCBZUBQ-UHFFFAOYSA-N 1 1 231.299 1.438 40 0 BDABMO CC[NH+](CC)C1([C@@H](CN)CO)CCCCC1 ZINC000072210378 385069122 /nfs/dbraw/zinc/06/91/22/385069122.db2.gz HUMKOKZQWODAKV-LBPRGKRZSA-N 1 1 228.380 1.598 40 0 BDABMO CNc1cc(C)c([C@@H]2CCCN2C=O)c[nH+]1 ZINC000072219027 385105549 /nfs/dbraw/zinc/10/55/49/385105549.db2.gz FDQFYMWZRDKOLC-NSHDSACASA-N 1 1 219.288 1.725 40 0 BDABMO Cc1ccc(C[N@H+]2CC[C@@H](O)C2)c(C)c1 ZINC000096311760 385315837 /nfs/dbraw/zinc/31/58/37/385315837.db2.gz NDTDRLYBIWPXLW-CYBMUJFWSA-N 1 1 205.301 1.870 40 0 BDABMO c1ccc2c(c1)n[nH]c2CN1CCC[NH2+]CC1 ZINC000096523656 385267069 /nfs/dbraw/zinc/26/70/69/385267069.db2.gz XXEGZEHXKYDKTA-UHFFFAOYSA-N 1 1 230.315 1.358 40 0 BDABMO CCCn1ccnc1C[N@H+]1C[C@@H]2C[C@@H](O)C[C@@H]2C1 ZINC000257204015 385752868 /nfs/dbraw/zinc/75/28/68/385752868.db2.gz ASRLBBHYZAHKEO-ITGUQSILSA-N 1 1 249.358 1.496 40 0 BDABMO Cc1cc(C)nc([C@@]2(C)CCC[N@@H+]2CCO)n1 ZINC000257241096 385755243 /nfs/dbraw/zinc/75/52/43/385755243.db2.gz HWPODWJPWMUYJI-CYBMUJFWSA-N 1 1 235.331 1.397 40 0 BDABMO Cc1cc(C)nc([C@@]2(C)CCC[N@H+]2CCO)n1 ZINC000257241096 385755246 /nfs/dbraw/zinc/75/52/46/385755246.db2.gz HWPODWJPWMUYJI-CYBMUJFWSA-N 1 1 235.331 1.397 40 0 BDABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000257238756 385756437 /nfs/dbraw/zinc/75/64/37/385756437.db2.gz HMKFLVXJMBSEHP-JTQLQIEISA-N 1 1 231.303 1.431 40 0 BDABMO Cc1c[nH]c([C@H]2CC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000257238756 385756441 /nfs/dbraw/zinc/75/64/41/385756441.db2.gz HMKFLVXJMBSEHP-JTQLQIEISA-N 1 1 231.303 1.431 40 0 BDABMO Cc1c[nH]c([C@H]2CC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000257238756 385756448 /nfs/dbraw/zinc/75/64/48/385756448.db2.gz HMKFLVXJMBSEHP-JTQLQIEISA-N 1 1 231.303 1.431 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000144231512 385875432 /nfs/dbraw/zinc/87/54/32/385875432.db2.gz VNJDWHIKXSJJGX-NEPJUHHUSA-N 1 1 219.284 1.505 40 0 BDABMO CC[C@H](C)n1nccc1C[NH2+]Cc1ccnn1C ZINC000256054593 387862166 /nfs/dbraw/zinc/86/21/66/387862166.db2.gz WXMJDNMAQNERGU-NSHDSACASA-N 1 1 247.346 1.877 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccc(C)o1 ZINC000242548242 388399841 /nfs/dbraw/zinc/39/98/41/388399841.db2.gz LEWINZHAPWFTQH-ZJUUUORDSA-N 1 1 223.272 1.406 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccco1 ZINC000252517034 388654189 /nfs/dbraw/zinc/65/41/89/388654189.db2.gz ZBOTWDDBFUHQSN-RKDXNWHRSA-N 1 1 209.245 1.098 40 0 BDABMO Cc1ccc([C@@H]([NH3+])c2ncn(C)n2)cc1 ZINC000095534205 388776484 /nfs/dbraw/zinc/77/64/84/388776484.db2.gz ATEDORZDKYIUEI-SNVBAGLBSA-N 1 1 202.261 1.172 40 0 BDABMO [NH3+]CC(=O)c1ccc(OC(F)(F)F)c(F)c1 ZINC000169800824 397815836 /nfs/dbraw/zinc/81/58/36/397815836.db2.gz YHJCWRMTCUKMLS-UHFFFAOYSA-N 1 1 237.152 1.866 40 0 BDABMO CC(C)OCCC[N@@H+]1CCN[C@H]2CCC[C@H]21 ZINC000218842724 167216453 /nfs/dbraw/zinc/21/64/53/167216453.db2.gz SHGHLIYBOOHATO-QWHCGFSZSA-N 1 1 226.364 1.628 40 0 BDABMO CC(C)OCCC[N@H+]1CCN[C@H]2CCC[C@H]21 ZINC000218842724 167216456 /nfs/dbraw/zinc/21/64/56/167216456.db2.gz SHGHLIYBOOHATO-QWHCGFSZSA-N 1 1 226.364 1.628 40 0 BDABMO CC(C)[N@H+]1CC[C@H](c2ccnc(N)n2)C1 ZINC000072356978 167026847 /nfs/dbraw/zinc/02/68/47/167026847.db2.gz MVSXEMCZGMALSC-VIFPVBQESA-N 1 1 206.293 1.257 40 0 BDABMO CC(C)[N@H+]1C[C@@H](O)[C@H](Oc2ccccc2)C1 ZINC000257336749 167030503 /nfs/dbraw/zinc/03/05/03/167030503.db2.gz YPVJVZNYNHCEIO-CHWSQXEVSA-N 1 1 221.300 1.519 40 0 BDABMO CCOC(=O)C1CCC([NH+]2CCNCC2)CC1 ZINC000095908501 170192270 /nfs/dbraw/zinc/19/22/70/170192270.db2.gz KAXGYJPPBHGEDC-UHFFFAOYSA-N 1 1 240.347 1.014 40 0 BDABMO CCOC(=O)[C@H]([NH3+])Cc1cccc(F)c1 ZINC000033789038 170275312 /nfs/dbraw/zinc/27/53/12/170275312.db2.gz GUJHMYPTDMVWHD-SNVBAGLBSA-N 1 1 211.236 1.259 40 0 BDABMO CCOC(=O)c1ccc([C@@H]2COCC[NH2+]2)cc1 ZINC000306145985 170297538 /nfs/dbraw/zinc/29/75/38/170297538.db2.gz XYBQGRSFKUNUPP-LBPRGKRZSA-N 1 1 235.283 1.524 40 0 BDABMO CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123200 171242268 /nfs/dbraw/zinc/24/22/68/171242268.db2.gz JDLXWZOSNRKHLR-OUAUKWLOSA-N 1 1 213.321 1.916 40 0 BDABMO CCc1nnc([C@@H]([NH3+])Cc2ccccc2)o1 ZINC000011586920 172065728 /nfs/dbraw/zinc/06/57/28/172065728.db2.gz VMDZFDPTQJFXRZ-JTQLQIEISA-N 1 1 217.272 1.875 40 0 BDABMO CCn1c(C)cc(C[NH+]2CCOCC2)c1C ZINC000226033154 172136406 /nfs/dbraw/zinc/13/64/06/172136406.db2.gz JDRCFZTVVXHLKO-UHFFFAOYSA-N 1 1 222.332 1.957 40 0 BDABMO CCn1cncc1C[N@H+]1CCCC[C@H]1CCO ZINC000013568260 172232741 /nfs/dbraw/zinc/23/27/41/172232741.db2.gz BMAMESFUABBTOQ-LBPRGKRZSA-N 1 1 237.347 1.640 40 0 BDABMO C[N@H+]1CCC[C@@H](c2cccc(CCC(N)=O)n2)C1 ZINC000072382827 173022168 /nfs/dbraw/zinc/02/21/68/173022168.db2.gz MSRLADFHGGCKBK-LLVKDONJSA-N 1 1 247.342 1.309 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)Nc2cccnc2)C1 ZINC000165495329 173038994 /nfs/dbraw/zinc/03/89/94/173038994.db2.gz XULVRWQNLNNTTN-JTQLQIEISA-N 1 1 219.288 1.362 40 0 BDABMO C[NH2+]CCCNCc1ccc(OC)cc1 ZINC000008377092 173349781 /nfs/dbraw/zinc/34/97/81/173349781.db2.gz AEQPPIGRSVWCEX-UHFFFAOYSA-N 1 1 208.305 1.394 40 0 BDABMO COCC[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000072379985 174306768 /nfs/dbraw/zinc/30/67/68/174306768.db2.gz FLAJKBZWZSXKHF-GFCCVEGCSA-N 1 1 235.331 1.611 40 0 BDABMO C[C@@H](c1nccs1)[N@@H+]1CCC[C@@H](O)C1 ZINC000095089043 176039749 /nfs/dbraw/zinc/03/97/49/176039749.db2.gz JOPMEOYAIBKDPT-DTWKUNHWSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@@H](c1nccs1)[N@H+]1CCC[C@@H](O)C1 ZINC000095089043 176039750 /nfs/dbraw/zinc/03/97/50/176039750.db2.gz JOPMEOYAIBKDPT-DTWKUNHWSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@H]1CCCC[C@@H]1C[N@H+]1CCO[C@@H](CO)C1 ZINC000195560394 177079481 /nfs/dbraw/zinc/07/94/81/177079481.db2.gz SVLQQXIJPAJIMQ-YNEHKIRRSA-N 1 1 227.348 1.506 40 0 BDABMO c1cncc(O[C@H]2COCC[N@H+](CC3CC3)C2)c1 ZINC000077265982 641841609 /nfs/dbraw/zinc/84/16/09/641841609.db2.gz VTPGDWWWBYVHPQ-CQSZACIVSA-N 1 1 248.326 1.571 40 0 biogenic,in-vitro BDABMO Cc1cc([C@@H]2CCC[N@@H+]2CC(N)=O)ccn1 ZINC000257288950 178241924 /nfs/dbraw/zinc/24/19/24/178241924.db2.gz PWJZFPGQYTWDCF-NSHDSACASA-N 1 1 219.288 1.012 40 0 BDABMO Cc1cc([C@@H]2CCC[N@H+]2CC(N)=O)ccn1 ZINC000257288950 178241925 /nfs/dbraw/zinc/24/19/25/178241925.db2.gz PWJZFPGQYTWDCF-NSHDSACASA-N 1 1 219.288 1.012 40 0 BDABMO CO[C@@]12COC(=O)[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000066055332 398260785 /nfs/dbraw/zinc/26/07/85/398260785.db2.gz HOJNYORDDSEUCZ-OCCSQVGLSA-N 1 1 247.294 1.060 40 0 BDABMO Clc1ncnc2c1C[N@@H+](CC1CC1)CC2 ZINC000072221038 259319259 /nfs/dbraw/zinc/31/92/59/259319259.db2.gz JVSFLRCQCUSFSN-UHFFFAOYSA-N 1 1 223.707 1.898 40 0 BDABMO C[C@H]([NH3+])C(=O)Oc1cc(F)c(F)c(F)c1 ZINC000044830293 538990103 /nfs/dbraw/zinc/99/01/03/538990103.db2.gz IHKJVJRLPRUHMS-BYPYZUCNSA-N 1 1 219.162 1.357 40 0 BDABMO COC[C@H]1C[N@@H+](CC2CC2)Cc2cnn(C)c21 ZINC000096060040 398312231 /nfs/dbraw/zinc/31/22/31/398312231.db2.gz WDBXMSQOAHALNS-GFCCVEGCSA-N 1 1 235.331 1.376 40 0 BDABMO CC(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](CCN)C(C)C ZINC000169676204 398342257 /nfs/dbraw/zinc/34/22/57/398342257.db2.gz CIHCWDAEEWKLMH-OLZOCXBDSA-N 1 1 241.379 1.103 40 0 BDABMO CC(=O)N[C@@H]1CCCC[C@@H]1[N@H+](CCN)C(C)C ZINC000169676204 398342258 /nfs/dbraw/zinc/34/22/58/398342258.db2.gz CIHCWDAEEWKLMH-OLZOCXBDSA-N 1 1 241.379 1.103 40 0 BDABMO CC(C)c1ncc(C[N@H+]2CC[C@@H](CO)C2)cn1 ZINC000019453982 342949129 /nfs/dbraw/zinc/94/91/29/342949129.db2.gz KKIRTSVRMWEFDO-LLVKDONJSA-N 1 1 235.331 1.414 40 0 BDABMO C[C@H](O)CNCC[NH2+]C/C=C/c1ccccc1 ZINC000022075258 136277960 /nfs/dbraw/zinc/27/79/60/136277960.db2.gz SXNUHEXNBZRAMU-LJLILKBBSA-N 1 1 234.343 1.260 40 0 BDABMO NN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000034963082 343281902 /nfs/dbraw/zinc/28/19/02/343281902.db2.gz BXWRQAZUWGDOSR-GFCCVEGCSA-N 1 1 205.305 1.114 40 0 BDABMO C[C@H](C[NH+]1CCNCC1)c1ccccc1 ZINC000040240931 343398898 /nfs/dbraw/zinc/39/88/98/343398898.db2.gz UTXHKQAZYGRDBA-GFCCVEGCSA-N 1 1 204.317 1.695 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000096526041 343760102 /nfs/dbraw/zinc/76/01/02/343760102.db2.gz NXIYHXGQDZAUOL-NXEZZACHSA-N 1 1 224.691 1.571 40 0 BDABMO O=C1C[N@@H+](Cc2ccccc2)CCCN1 ZINC000039193234 344087721 /nfs/dbraw/zinc/08/77/21/344087721.db2.gz YHCGNYXQOQMCLW-UHFFFAOYSA-N 1 1 204.273 1.009 40 0 BDABMO NCC(F)(C[NH3+])C1Cc2ccccc2C1 ZINC000585143264 344176814 /nfs/dbraw/zinc/17/68/14/344176814.db2.gz QWROPYRTTDOXPC-UHFFFAOYSA-N 1 1 208.280 1.027 40 0 BDABMO CC(C)C[N@@H+](C(C)C)[C@@H]1CNCC[C@@]1(C)O ZINC000300919538 537868778 /nfs/dbraw/zinc/86/87/78/537868778.db2.gz UBSCCVCQHXEPTB-CHWSQXEVSA-N 1 1 228.380 1.466 40 0 BDABMO CC(C)CN(C(C)C)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000300919538 537868786 /nfs/dbraw/zinc/86/87/86/537868786.db2.gz UBSCCVCQHXEPTB-CHWSQXEVSA-N 1 1 228.380 1.466 40 0 BDABMO Cc1cccc(C[N@H+]2CC[C@H]3NC(=O)CC[C@@H]32)c1 ZINC000096186190 179080944 /nfs/dbraw/zinc/08/09/44/179080944.db2.gz WHIREDCXKRHTAY-KGLIPLIRSA-N 1 1 244.338 1.848 40 0 BDABMO Cc1cccc([C@@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072361161 179189637 /nfs/dbraw/zinc/18/96/37/179189637.db2.gz ISYUKESCVYWCRO-NSHDSACASA-N 1 1 219.288 1.012 40 0 BDABMO Cc1cccc([C@@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072361161 179189639 /nfs/dbraw/zinc/18/96/39/179189639.db2.gz ISYUKESCVYWCRO-NSHDSACASA-N 1 1 219.288 1.012 40 0 BDABMO CC(C)[N@H+](C)[C@H]1CCCC[C@H]1NCCO ZINC000101676555 347287431 /nfs/dbraw/zinc/28/74/31/347287431.db2.gz BKJJZGNQAKTVIZ-NEPJUHHUSA-N 1 1 214.353 1.220 40 0 BDABMO CC(C)[N@@H+](C)[C@H]1CCCC[C@H]1NCCO ZINC000101676555 347287434 /nfs/dbraw/zinc/28/74/34/347287434.db2.gz BKJJZGNQAKTVIZ-NEPJUHHUSA-N 1 1 214.353 1.220 40 0 BDABMO Cc1ccccc1-c1n[nH]c(SCC[NH3+])n1 ZINC000224979775 179240033 /nfs/dbraw/zinc/24/00/33/179240033.db2.gz BCXWRWGZZJBNFW-UHFFFAOYSA-N 1 1 234.328 1.831 40 0 BDABMO Cc1ccccc1C[N@H+]1CCNC[C@@H]1C ZINC000041213199 179274451 /nfs/dbraw/zinc/27/44/51/179274451.db2.gz PYMOQJAVNRHYNW-LBPRGKRZSA-N 1 1 204.317 1.789 40 0 BDABMO Cc1ccccc1C[N@@H+]1CCNC[C@@H]1C ZINC000041213199 179274453 /nfs/dbraw/zinc/27/44/53/179274453.db2.gz PYMOQJAVNRHYNW-LBPRGKRZSA-N 1 1 204.317 1.789 40 0 BDABMO Cc1ccccc1CNC(=O)[C@H]1CCC[N@H+](C)C1 ZINC000082305388 179279460 /nfs/dbraw/zinc/27/94/60/179279460.db2.gz CGPZDSFUJBHKIA-AWEZNQCLSA-N 1 1 246.354 1.953 40 0 BDABMO CSc1ncc(C[NH2+]Cc2cccnc2)cn1 ZINC000062717207 259407358 /nfs/dbraw/zinc/40/73/58/259407358.db2.gz ALAVYXXPIJUEEV-UHFFFAOYSA-N 1 1 246.339 1.883 40 0 BDABMO COc1ccc([C@H]([NH3+])c2ncccn2)cc1 ZINC000037467270 188286906 /nfs/dbraw/zinc/28/69/06/188286906.db2.gz OYULXVVIIMRZEM-NSHDSACASA-N 1 1 215.256 1.533 40 0 BDABMO CC(C)[N@@H+](CCO)C[C@H]1CCCCN1C ZINC000079406055 188291790 /nfs/dbraw/zinc/29/17/90/188291790.db2.gz XUSMDMPSVODSDB-GFCCVEGCSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)N(CCO)C[C@H]1CCCC[N@@H+]1C ZINC000079406055 188291791 /nfs/dbraw/zinc/29/17/91/188291791.db2.gz XUSMDMPSVODSDB-GFCCVEGCSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)N(CCO)C[C@H]1CCCC[N@H+]1C ZINC000079406055 188291793 /nfs/dbraw/zinc/29/17/93/188291793.db2.gz XUSMDMPSVODSDB-GFCCVEGCSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)[N@@H+](CCO)C[C@H]1CCCN(C)C1 ZINC000079406064 188291946 /nfs/dbraw/zinc/29/19/46/188291946.db2.gz IAWBPFTVCDODPO-LBPRGKRZSA-N 1 1 214.353 1.031 40 0 BDABMO CC(C)N1CCO[C@H]2C[N@@H+](CC3CC3)C[C@H]21 ZINC000096054288 188321399 /nfs/dbraw/zinc/32/13/99/188321399.db2.gz QQQHWMQFCOZWQW-OLZOCXBDSA-N 1 1 224.348 1.190 40 0 BDABMO Cc1nn(C(C)C)cc1CNCC[NH+](C)C ZINC000256054801 188369273 /nfs/dbraw/zinc/36/92/73/188369273.db2.gz XVYUKIRVJISYDV-UHFFFAOYSA-N 1 1 224.352 1.424 40 0 BDABMO Fc1ccc(CNC[C@H]2CCC[NH2+]C2)cc1 ZINC000072202930 180968552 /nfs/dbraw/zinc/96/85/52/180968552.db2.gz HYXPZNWGOSZZQO-LBPRGKRZSA-N 1 1 222.307 1.915 40 0 BDABMO CC[NH+]1CCN(C(=O)c2cccc(N)c2C)CC1 ZINC000008703655 353698205 /nfs/dbraw/zinc/69/82/05/353698205.db2.gz LPOMNWHWKCHAGS-UHFFFAOYSA-N 1 1 247.342 1.355 40 0 BDABMO C[N@H+]1CCC[C@@H]1c1cnc(-c2ncc[nH]2)cn1 ZINC000205693942 369997643 /nfs/dbraw/zinc/99/76/43/369997643.db2.gz MFHYLOVUSJCDLB-LLVKDONJSA-N 1 1 229.287 1.633 40 0 BDABMO CCOc1ccc(C[C@H]([NH3+])C(=O)OC)cc1 ZINC000042289184 374258708 /nfs/dbraw/zinc/25/87/08/374258708.db2.gz ITHADUMPGZERSQ-NSHDSACASA-N 1 1 223.272 1.128 40 0 BDABMO CCCCOC(=O)CC[NH2+]CCCN(C)C ZINC000003162496 168883601 /nfs/dbraw/zinc/88/36/01/168883601.db2.gz YCNGWWRLOGKETC-UHFFFAOYSA-N 1 1 230.352 1.261 40 0 BDABMO OCC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000026898125 183095297 /nfs/dbraw/zinc/09/52/97/183095297.db2.gz YVENDIOSKPJMLX-CYBMUJFWSA-N 1 1 221.300 1.270 40 0 BDABMO OCC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000026898125 183095298 /nfs/dbraw/zinc/09/52/98/183095298.db2.gz YVENDIOSKPJMLX-CYBMUJFWSA-N 1 1 221.300 1.270 40 0 BDABMO OCc1cc([C@@H]2CCC[N@H+]2CC2CC2)[nH]n1 ZINC000072350804 183161748 /nfs/dbraw/zinc/16/17/48/183161748.db2.gz IEKHMWOMMROBBU-LBPRGKRZSA-N 1 1 221.304 1.449 40 0 BDABMO c1csc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088301027 383891607 /nfs/dbraw/zinc/89/16/07/383891607.db2.gz GFLIVYQHZNUSIV-UWVGGRQHSA-N 1 1 208.330 1.399 40 0 BDABMO O=C1OCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000004203323 384044754 /nfs/dbraw/zinc/04/47/54/384044754.db2.gz XLCRTPSFIQQHEF-CHWSQXEVSA-N 1 1 231.295 1.682 40 0 BDABMO NC[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000035677030 384088859 /nfs/dbraw/zinc/08/88/59/384088859.db2.gz 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/nfs/dbraw/zinc/28/59/97/384285997.db2.gz CLXOCZUNMRRRHZ-UHFFFAOYSA-N 1 1 228.336 1.266 40 0 BDABMO CCCCCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000096629256 384468676 /nfs/dbraw/zinc/46/86/76/384468676.db2.gz KXAYEDOMGKAMED-LLVKDONJSA-N 1 1 212.337 1.635 40 0 BDABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CCO)C1 ZINC000079414121 384496867 /nfs/dbraw/zinc/49/68/67/384496867.db2.gz CUNBLCVPFGTCRK-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](CCO)C1 ZINC000079414121 384496870 /nfs/dbraw/zinc/49/68/70/384496870.db2.gz CUNBLCVPFGTCRK-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079414121 384496876 /nfs/dbraw/zinc/49/68/76/384496876.db2.gz CUNBLCVPFGTCRK-OAHLLOKOSA-N 1 1 248.370 1.575 40 0 BDABMO CN1C(=O)C[C@H]2[C@H]1CC[N@H+]2Cc1ccoc1 ZINC000107799887 385002863 /nfs/dbraw/zinc/00/28/63/385002863.db2.gz IEYZUUNCLCAFFI-MNOVXSKESA-N 1 1 220.272 1.085 40 0 BDABMO CC[C@](C)([C@@H](CN)CO)[NH+]1CCCCC1 ZINC000072210359 385068309 /nfs/dbraw/zinc/06/83/09/385068309.db2.gz ILZQINXJZRKOEF-NWDGAFQWSA-N 1 1 214.353 1.208 40 0 BDABMO CC[C@@H]([NH3+])c1ccc(N2CCN(C)CC2)nc1 ZINC000072225534 385113703 /nfs/dbraw/zinc/11/37/03/385113703.db2.gz SYRMARPUZCDJDY-GFCCVEGCSA-N 1 1 234.347 1.243 40 0 BDABMO Cc1cc([C@@H]2CCCCN2C=O)c[nH+]c1N ZINC000072218472 385101055 /nfs/dbraw/zinc/10/10/55/385101055.db2.gz XVKOWDRTWBTDGV-NSHDSACASA-N 1 1 219.288 1.656 40 0 BDABMO Cc1[nH+]c(N(C)C)ccc1[C@@H]1CCCN1C=O ZINC000072218727 385104522 /nfs/dbraw/zinc/10/45/22/385104522.db2.gz ZPJKDQXTMSQVME-LBPRGKRZSA-N 1 1 233.315 1.749 40 0 BDABMO Cc1nnc([C@H]([NH3+])c2ccccc2Cl)n1C ZINC000096511386 385252452 /nfs/dbraw/zinc/25/24/52/385252452.db2.gz FPFCFEGNQYGCPD-SNVBAGLBSA-N 1 1 236.706 1.825 40 0 BDABMO CCCCN(C)C[C@H]([NH3+])CCSC ZINC000096523856 385268432 /nfs/dbraw/zinc/26/84/32/385268432.db2.gz XYXCYZPHXHFOHR-SNVBAGLBSA-N 1 1 204.383 1.799 40 0 BDABMO CCCC[N@H+](C)C[C@H](N)CCSC ZINC000096523856 385268440 /nfs/dbraw/zinc/26/84/40/385268440.db2.gz XYXCYZPHXHFOHR-SNVBAGLBSA-N 1 1 204.383 1.799 40 0 BDABMO CCCC[N@@H+](C)C[C@H](N)CCSC ZINC000096523856 385268445 /nfs/dbraw/zinc/26/84/45/385268445.db2.gz XYXCYZPHXHFOHR-SNVBAGLBSA-N 1 1 204.383 1.799 40 0 BDABMO COC(=O)[C@H]([NH3+])C(C(F)(F)F)C(F)(F)F ZINC000016159303 385402953 /nfs/dbraw/zinc/40/29/53/385402953.db2.gz KSIDOGURSVEJEZ-UWTATZPHSA-N 1 1 239.115 1.228 40 0 BDABMO CC(C)C[NH+](CC(C)C)C[C@H](O)CNC1CC1 ZINC000042033841 385755458 /nfs/dbraw/zinc/75/54/58/385755458.db2.gz BRGOEBAUFUZEOM-CQSZACIVSA-N 1 1 242.407 1.713 40 0 BDABMO C[N@H+](C[C@H](O)CNC1CC1)C1CCCCC1 ZINC000036950401 385825739 /nfs/dbraw/zinc/82/57/39/385825739.db2.gz FHOSPTNVHXYWAO-CYBMUJFWSA-N 1 1 226.364 1.364 40 0 BDABMO C[N@@H+](C[C@H](O)CNC1CC1)C1CCCCC1 ZINC000036950401 385825751 /nfs/dbraw/zinc/82/57/51/385825751.db2.gz FHOSPTNVHXYWAO-CYBMUJFWSA-N 1 1 226.364 1.364 40 0 BDABMO Cc1c2c(cc3c1C[N@H+](C)C[C@@H]3O)OCO2 ZINC000261829923 385830591 /nfs/dbraw/zinc/83/05/91/385830591.db2.gz ZIUUMZBYKDVXQJ-JTQLQIEISA-N 1 1 221.256 1.203 40 0 BDABMO Cc1c2c(cc3c1C[N@@H+](C)C[C@@H]3O)OCO2 ZINC000261829923 385830595 /nfs/dbraw/zinc/83/05/95/385830595.db2.gz ZIUUMZBYKDVXQJ-JTQLQIEISA-N 1 1 221.256 1.203 40 0 BDABMO COC(=O)[C@@H]([NH3+])[C@@H](C)c1c[nH]c2ccccc21 ZINC000082299015 388587205 /nfs/dbraw/zinc/58/72/05/388587205.db2.gz MODKVBLBJQCEKA-UFBFGSQYSA-N 1 1 232.283 1.772 40 0 BDABMO C[N@H+](Cc1ccccc1)CC1OCCO1 ZINC000265917490 388993953 /nfs/dbraw/zinc/99/39/53/388993953.db2.gz SLTCKDQZSHFWHD-UHFFFAOYSA-N 1 1 207.273 1.491 40 0 BDABMO C[N@@H+](Cc1ccccc1)CC1OCCO1 ZINC000265917490 388993949 /nfs/dbraw/zinc/99/39/49/388993949.db2.gz SLTCKDQZSHFWHD-UHFFFAOYSA-N 1 1 207.273 1.491 40 0 BDABMO CCC[N@@H+](C)C[C@@H](N)Cc1ccccc1 ZINC000037098580 397968348 /nfs/dbraw/zinc/96/83/48/397968348.db2.gz HCZKBZPJMAJMJM-ZDUSSCGKSA-N 1 1 206.333 1.898 40 0 BDABMO C[C@H]([NH2+]CCN(C)C)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000022863008 397976541 /nfs/dbraw/zinc/97/65/41/397976541.db2.gz ZLWXLJFFWVRCEU-MJBXVCDLSA-N 1 1 239.407 1.401 40 0 BDABMO C[C@H]([NH2+]CCN(C)C)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000022863008 397976544 /nfs/dbraw/zinc/97/65/44/397976544.db2.gz ZLWXLJFFWVRCEU-MJBXVCDLSA-N 1 1 239.407 1.401 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1OC ZINC000217669936 398119153 /nfs/dbraw/zinc/11/91/53/398119153.db2.gz WDEWEEAIKZZIRC-NEPJUHHUSA-N 1 1 249.310 1.513 40 0 BDABMO CC1=CC[C@@H]2C[N@H+](CCN(C)C)C[C@@H]2C1 ZINC000022580371 168119045 /nfs/dbraw/zinc/11/90/45/168119045.db2.gz WVYNZNQOWJKLQW-OLZOCXBDSA-N 1 1 208.349 1.836 40 0 BDABMO CC[NH+]1CCN(C(=O)Cc2cccs2)CC1 ZINC000035316479 169984194 /nfs/dbraw/zinc/98/41/94/169984194.db2.gz PCGGRVBNAVWQNH-UHFFFAOYSA-N 1 1 238.356 1.455 40 0 BDABMO CC[N@H+]1CC[C@@H](c2ccnc(N(C)C)n2)C1 ZINC000072361100 170013525 /nfs/dbraw/zinc/01/35/25/170013525.db2.gz PHBWQNKIZJHVOU-SNVBAGLBSA-N 1 1 220.320 1.352 40 0 BDABMO CCOC(=O)Cc1c[nH]c2cc[nH+]cc12 ZINC000045328786 170235081 /nfs/dbraw/zinc/23/50/81/170235081.db2.gz FUNQUXCTEHZQME-UHFFFAOYSA-N 1 1 204.229 1.669 40 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C[N@H+]1CCC[C@@H]1c1cnc(N2CCOC2=O)cn1 ZINC000257217695 173037425 /nfs/dbraw/zinc/03/74/25/173037425.db2.gz DAENNKHENYIYIA-SNVBAGLBSA-N 1 1 248.286 1.200 40 0 BDABMO C[N@H+]1CCC[C@H]1CCNC(=O)OC(C)(C)C ZINC000016697179 173053346 /nfs/dbraw/zinc/05/33/46/173053346.db2.gz QEVQEWQGMDZNTH-JTQLQIEISA-N 1 1 228.336 1.995 40 0 BDABMO C[NH+]1CCN(Cc2cccc(C=O)c2)CC1 ZINC000019369502 173087450 /nfs/dbraw/zinc/08/74/50/173087450.db2.gz KKYYCUZQPBFXKD-UHFFFAOYSA-N 1 1 218.300 1.247 40 0 BDABMO C[N@H+]1CC[C@@H](NN)c2cc(Cl)ccc2C1 ZINC000096510463 173124596 /nfs/dbraw/zinc/12/45/96/173124596.db2.gz WSVNPXGKJJDSSM-LLVKDONJSA-N 1 1 225.723 1.680 40 0 BDABMO C[N@@H+]1CCc2onc(Cn3cccc3)c2C1 ZINC000096259755 173175474 /nfs/dbraw/zinc/17/54/74/173175474.db2.gz PNRBPPLMZOMMND-UHFFFAOYSA-N 1 1 217.272 1.512 40 0 BDABMO C[N@H+]1CCc2onc(Cn3cccc3)c2C1 ZINC000096259755 173175477 /nfs/dbraw/zinc/17/54/77/173175477.db2.gz PNRBPPLMZOMMND-UHFFFAOYSA-N 1 1 217.272 1.512 40 0 BDABMO CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217664431 173196047 /nfs/dbraw/zinc/19/60/47/173196047.db2.gz LOROOKGTJUHXJH-OLZOCXBDSA-N 1 1 247.342 1.002 40 0 BDABMO COCCCn1c(C)[nH+]c2ccc(N)cc21 ZINC000223768125 174266258 /nfs/dbraw/zinc/26/62/58/174266258.db2.gz GCZWDNRMEBRFBA-UHFFFAOYSA-N 1 1 219.288 1.963 40 0 BDABMO COc1ccc(C2(N)CC[NH2+]CC2)cc1 ZINC000255190677 175084659 /nfs/dbraw/zinc/08/46/59/175084659.db2.gz YSVILOHFFDBSCW-UHFFFAOYSA-N 1 1 206.289 1.233 40 0 BDABMO COc1ccc(C2([NH3+])CCNCC2)cc1 ZINC000255190677 175084661 /nfs/dbraw/zinc/08/46/61/175084661.db2.gz YSVILOHFFDBSCW-UHFFFAOYSA-N 1 1 206.289 1.233 40 0 BDABMO C[C@@H](c1ccccn1)[N@H+]1CCCC[C@H]1CO ZINC000245224253 176027497 /nfs/dbraw/zinc/02/74/97/176027497.db2.gz TZMPUWQLONXYTH-RYUDHWBXSA-N 1 1 220.316 1.989 40 0 BDABMO C[C@@H](c1cnccn1)[N@H+]1CCCC[C@H]1CO ZINC000245204661 176036557 /nfs/dbraw/zinc/03/65/57/176036557.db2.gz FSSCFFPPZZZSSI-QWRGUYRKSA-N 1 1 221.304 1.384 40 0 BDABMO C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](C)C2)C1 ZINC000169951771 176094492 /nfs/dbraw/zinc/09/44/92/176094492.db2.gz FIUSVJRWHMQPEW-NEPJUHHUSA-N 1 1 224.348 1.587 40 0 BDABMO C[C@H](c1nccs1)[N@@H+]1CCC[C@H](O)C1 ZINC000043220358 177053837 /nfs/dbraw/zinc/05/38/37/177053837.db2.gz JOPMEOYAIBKDPT-BDAKNGLRSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@H](c1nccs1)[N@H+]1CCC[C@H](O)C1 ZINC000043220358 177053840 /nfs/dbraw/zinc/05/38/40/177053840.db2.gz JOPMEOYAIBKDPT-BDAKNGLRSA-N 1 1 212.318 1.661 40 0 BDABMO C[C@H](c1nccs1)[N@@H+]1CCC[C@H](CO)C1 ZINC000043220360 177054520 /nfs/dbraw/zinc/05/45/20/177054520.db2.gz VLGMOLAFUBVKKH-ZJUUUORDSA-N 1 1 226.345 1.908 40 0 BDABMO C[C@H](c1nccs1)[N@H+]1CCC[C@H](CO)C1 ZINC000043220360 177054522 /nfs/dbraw/zinc/05/45/22/177054522.db2.gz VLGMOLAFUBVKKH-ZJUUUORDSA-N 1 1 226.345 1.908 40 0 BDABMO C[C@H]1CCCC[C@H]1C[N@H+]1CCO[C@@H](CO)C1 ZINC000195560398 177085060 /nfs/dbraw/zinc/08/50/60/177085060.db2.gz SVLQQXIJPAJIMQ-RWMBFGLXSA-N 1 1 227.348 1.506 40 0 BDABMO C[C@@H]1C[C@H](n2[nH]c(=O)cc2N)[C@@H](C)C[N@H+]1C ZINC000001073007 177238849 /nfs/dbraw/zinc/23/88/49/177238849.db2.gz KERAHEXBXSFFAC-YIZRAAEISA-N 1 1 224.308 1.072 40 0 BDABMO C[C@H]1Cc2cc3c(cc2C[N@H+]1C)OCO3 ZINC000001667099 177389052 /nfs/dbraw/zinc/38/90/52/177389052.db2.gz ZLXWXQYVDYZSGF-QMMMGPOBSA-N 1 1 205.257 1.792 40 0 BDABMO Fc1cccc(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000072202937 487994488 /nfs/dbraw/zinc/99/44/88/487994488.db2.gz ILQCZALDIMHHTM-GFCCVEGCSA-N 1 1 222.307 1.915 40 0 BDABMO C[N@@H+](C1CC1)[C@H]1CC[C@H]([NH2+]CC(=O)[O-])CC1 ZINC000248046454 522408896 /nfs/dbraw/zinc/40/88/96/522408896.db2.gz MLOAZEOHZUISAY-MGCOHNPYSA-N 1 1 226.320 1.066 40 0 BDABMO OC[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000085345178 643745816 /nfs/dbraw/zinc/74/58/16/643745816.db2.gz DMOKYXYTWWRZDY-OLZOCXBDSA-N 1 1 203.285 1.501 40 0 BDABMO C[NH+](C)[C@@H](C(N)=O)c1ccc(Cl)cc1 ZINC000058493625 398137266 /nfs/dbraw/zinc/13/72/66/398137266.db2.gz GYBFOLJEKJQGCI-SECBINFHSA-N 1 1 212.680 1.428 40 0 BDABMO CC[N@H+]1CCC[C@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000072361085 343979949 /nfs/dbraw/zinc/97/99/49/343979949.db2.gz RKBJYWZHXAGGSD-JTQLQIEISA-N 1 1 221.304 1.690 40 0 BDABMO CC[N@H+]1CCCC[C@@H]1c1ccnc(N)n1 ZINC000072361078 343980083 /nfs/dbraw/zinc/98/00/83/343980083.db2.gz CDHGKCODVQRJJN-SNVBAGLBSA-N 1 1 206.293 1.606 40 0 BDABMO NNC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000199533682 398264521 /nfs/dbraw/zinc/26/45/21/398264521.db2.gz MSDSYWUJPBCDLA-ZDUSSCGKSA-N 1 1 219.332 1.504 40 0 BDABMO O=C(C[NH+]1CCCCCC1)Nc1nccs1 ZINC000000801530 342692839 /nfs/dbraw/zinc/69/28/39/342692839.db2.gz BTKVMKMZSYRRCN-UHFFFAOYSA-N 1 1 239.344 1.958 40 0 BDABMO OC[C@@]12C[C@@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000252497352 259326229 /nfs/dbraw/zinc/32/62/29/259326229.db2.gz QEQDGRHQLCINHT-ZIAGYGMSSA-N 1 1 217.312 1.891 40 0 BDABMO C[NH+](C)CC(=O)Nc1ccc(Cl)c(N)c1 ZINC000008732426 398305125 /nfs/dbraw/zinc/30/51/25/398305125.db2.gz VJLLDENLRNEMDA-UHFFFAOYSA-N 1 1 227.695 1.422 40 0 BDABMO COC[C@@H]1C[N@@H+](CC2CC2)Cc2cnn(C)c21 ZINC000096060041 398312343 /nfs/dbraw/zinc/31/23/43/398312343.db2.gz WDBXMSQOAHALNS-LBPRGKRZSA-N 1 1 235.331 1.376 40 0 BDABMO Nc1ccc(NCc2cccnc2)[nH+]c1 ZINC000019961624 342964562 /nfs/dbraw/zinc/96/45/62/342964562.db2.gz YLBUZUODJCFQJA-UHFFFAOYSA-N 1 1 200.245 1.671 40 0 BDABMO Cc1c(C[NH2+]Cc2ccco2)cnn1C ZINC000020351179 342982745 /nfs/dbraw/zinc/98/27/45/342982745.db2.gz CTNJNJXJIDHPGD-UHFFFAOYSA-N 1 1 205.261 1.611 40 0 BDABMO O=S1(=O)C[C@@]2([NH+]3CCCC3)CCCC[C@@H]21 ZINC000031672276 343222774 /nfs/dbraw/zinc/22/27/74/343222774.db2.gz RLYYJMGLABZEAL-QWRGUYRKSA-N 1 1 229.345 1.192 40 0 BDABMO COC(=O)C[C@H](c1ccccc1)[NH+]1CCOCC1 ZINC000031938704 343226530 /nfs/dbraw/zinc/22/65/30/343226530.db2.gz ZHJGNAGPQCSWII-CYBMUJFWSA-N 1 1 249.310 1.623 40 0 BDABMO CC[NH+](CC)CCCN[C@@H](C)CC(=O)OC ZINC000035748326 343303646 /nfs/dbraw/zinc/30/36/46/343303646.db2.gz PNJXAWZCKGXWGB-NSHDSACASA-N 1 1 230.352 1.260 40 0 BDABMO Cc1cc(C)n([C@H](C)C[NH2+]CC(F)F)n1 ZINC000047474236 343562346 /nfs/dbraw/zinc/56/23/46/343562346.db2.gz AKTQCEGEJDCSGM-SECBINFHSA-N 1 1 217.263 1.916 40 0 BDABMO Cc1cccc(CN2C[C@@H]3C[C@]3(C[NH3+])C2)c1 ZINC000096509109 343755049 /nfs/dbraw/zinc/75/50/49/343755049.db2.gz CNRWJJZHBABOCP-KBPBESRZSA-N 1 1 216.328 1.776 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(F)cc1 ZINC000096526085 343759827 /nfs/dbraw/zinc/75/98/27/343759827.db2.gz AWZVEGRETJWOBS-VHSXEESVSA-N 1 1 208.236 1.056 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000096526090 343759888 /nfs/dbraw/zinc/75/98/88/343759888.db2.gz AWZVEGRETJWOBS-ZJUUUORDSA-N 1 1 208.236 1.056 40 0 BDABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000096526098 343759956 /nfs/dbraw/zinc/75/99/56/343759956.db2.gz UORXKGYDDZMKEL-ZJUUUORDSA-N 1 1 208.236 1.056 40 0 BDABMO Cc1nc(C2CC[NH2+]CC2)cc2cncn21 ZINC000585261097 344373036 /nfs/dbraw/zinc/37/30/36/344373036.db2.gz DWBWTGPEWJEGNM-UHFFFAOYSA-N 1 1 216.288 1.505 40 0 BDABMO COc1ccc(C)cc1CNCCC[NH3+] ZINC000037713633 323108074 /nfs/dbraw/zinc/10/80/74/323108074.db2.gz CAKONAMRGDIMOQ-UHFFFAOYSA-N 1 1 208.305 1.442 40 0 BDABMO C[C@@H](O)C[N@H+]1CCCC[C@H]1c1cccnc1 ZINC000005529995 348932011 /nfs/dbraw/zinc/93/20/11/348932011.db2.gz VAZXXAVHCHRHJJ-YPMHNXCESA-N 1 1 220.316 1.989 40 0 biogenic,in-vitro BDABMO [NH3+]CC(=O)c1ccccc1C(F)(F)F ZINC000095929377 187800997 /nfs/dbraw/zinc/80/09/97/187800997.db2.gz OHZGELWZTVAWMT-UHFFFAOYSA-N 1 1 203.163 1.847 40 0 BDABMO CC(C)C[N@@H+]1C[C@H]2CN(C(=O)C(C)C)C[C@H]2C1 ZINC000063528472 353600297 /nfs/dbraw/zinc/60/02/97/353600297.db2.gz XXWGTRUIMCWJKX-BETUJISGSA-N 1 1 238.375 1.689 40 0 BDABMO CC(C)[N@@H+](C1CCCC1)[C@@H]1CNCC[C@]1(C)O ZINC000685936086 538757168 /nfs/dbraw/zinc/75/71/68/538757168.db2.gz DIPWZUMYBYQZTB-KGLIPLIRSA-N 1 1 240.391 1.752 40 0 BDABMO Cn1nc(C[NH+](C)C)c(Cc2ccccc2)c1N ZINC000026511962 357164236 /nfs/dbraw/zinc/16/42/36/357164236.db2.gz UATLYICIPVJBBC-UHFFFAOYSA-N 1 1 244.342 1.655 40 0 BDABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000205682420 368357242 /nfs/dbraw/zinc/35/72/42/368357242.db2.gz BYDPZSNVOPKLAD-NSHDSACASA-N 1 1 245.330 1.739 40 0 BDABMO N[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1CO ZINC000110763473 369977971 /nfs/dbraw/zinc/97/79/71/369977971.db2.gz FBGLDEKTMMVMJS-KGLIPLIRSA-N 1 1 234.343 1.013 40 0 BDABMO N[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1CO ZINC000110763473 369977975 /nfs/dbraw/zinc/97/79/75/369977975.db2.gz FBGLDEKTMMVMJS-KGLIPLIRSA-N 1 1 234.343 1.013 40 0 BDABMO C[N@@H+]([C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC000003186780 371905425 /nfs/dbraw/zinc/90/54/25/371905425.db2.gz ZVWSPVSUNHWYMN-NSHDSACASA-N 1 1 231.361 1.438 40 0 BDABMO c1cc(-c2nc([C@@H]3CCCC[NH2+]3)no2)n[nH]1 ZINC000057940004 371933006 /nfs/dbraw/zinc/93/30/06/371933006.db2.gz JKHMQNYZLIJBMG-ZETCQYMHSA-N 1 1 219.248 1.274 40 0 BDABMO O=C(Nc1ccccc1)[C@H]1CCC[N@@H+]1CCCO ZINC000006241156 182377364 /nfs/dbraw/zinc/37/73/64/182377364.db2.gz RTAZFPUCDXTUAO-CYBMUJFWSA-N 1 1 248.326 1.472 40 0 BDABMO CCOC(=O)[C@H]([NH3+])Cc1ccccc1C ZINC000061892912 170275918 /nfs/dbraw/zinc/27/59/18/170275918.db2.gz AUCRQTYOSJMLBE-LLVKDONJSA-N 1 1 207.273 1.428 40 0 BDABMO OCCO[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390540 183086020 /nfs/dbraw/zinc/08/60/20/183086020.db2.gz VYINATSXGHFSQT-AWEZNQCLSA-N 1 1 235.327 1.660 40 0 BDABMO OC[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000001587070 183152745 /nfs/dbraw/zinc/15/27/45/183152745.db2.gz MOAXSRVLHDNZLR-AWEZNQCLSA-N 1 1 235.327 1.517 40 0 BDABMO O[C@@H]1CC[N@H+](Cc2ccccc2)C2(COC2)C1 ZINC000082342976 183199613 /nfs/dbraw/zinc/19/96/13/183199613.db2.gz PFDRNGQVGHVXAQ-CYBMUJFWSA-N 1 1 233.311 1.412 40 0 BDABMO O[C@@H]1CC[N@@H+](Cc2ccccc2)C2(COC2)C1 ZINC000082342976 183199615 /nfs/dbraw/zinc/19/96/15/183199615.db2.gz PFDRNGQVGHVXAQ-CYBMUJFWSA-N 1 1 233.311 1.412 40 0 BDABMO O[C@H]1CC[N@H+](Cc2ccccc2)C2(COC2)C1 ZINC000082342975 183239313 /nfs/dbraw/zinc/23/93/13/183239313.db2.gz PFDRNGQVGHVXAQ-ZDUSSCGKSA-N 1 1 233.311 1.412 40 0 BDABMO O[C@H]1CC[N@@H+](Cc2ccccc2)C2(COC2)C1 ZINC000082342975 183239315 /nfs/dbraw/zinc/23/93/15/183239315.db2.gz PFDRNGQVGHVXAQ-ZDUSSCGKSA-N 1 1 233.311 1.412 40 0 BDABMO c1nncn1-c1ccc(C[NH+]2CCOCC2)cc1 ZINC000045958043 183333990 /nfs/dbraw/zinc/33/39/90/183333990.db2.gz CHSGUHPRTJKZIB-UHFFFAOYSA-N 1 1 244.298 1.100 40 0 BDABMO c1csc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000088301026 383893407 /nfs/dbraw/zinc/89/34/07/383893407.db2.gz GFLIVYQHZNUSIV-NXEZZACHSA-N 1 1 208.330 1.399 40 0 BDABMO C[N@H+](CCO)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393491 384134073 /nfs/dbraw/zinc/13/40/73/384134073.db2.gz VTHPLPMGJMJYLY-OAHLLOKOSA-N 1 1 248.370 1.433 40 0 BDABMO C[N@@H+](CCO)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000079393491 384134079 /nfs/dbraw/zinc/13/40/79/384134079.db2.gz VTHPLPMGJMJYLY-OAHLLOKOSA-N 1 1 248.370 1.433 40 0 BDABMO CN(CCO)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393491 384134085 /nfs/dbraw/zinc/13/40/85/384134085.db2.gz VTHPLPMGJMJYLY-OAHLLOKOSA-N 1 1 248.370 1.433 40 0 BDABMO CN(CCO)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393491 384134092 /nfs/dbraw/zinc/13/40/92/384134092.db2.gz VTHPLPMGJMJYLY-OAHLLOKOSA-N 1 1 248.370 1.433 40 0 BDABMO CSc1nccnc1C[N@H+](CCO)C(C)C ZINC000079425383 384146846 /nfs/dbraw/zinc/14/68/46/384146846.db2.gz YCOGIWLAHFXLNN-UHFFFAOYSA-N 1 1 241.360 1.401 40 0 BDABMO CSc1nccnc1C[N@@H+](CCO)C(C)C ZINC000079425383 384146847 /nfs/dbraw/zinc/14/68/47/384146847.db2.gz YCOGIWLAHFXLNN-UHFFFAOYSA-N 1 1 241.360 1.401 40 0 BDABMO CC[NH+](CC)C1([C@H](CN)CO)CCCC1 ZINC000072210387 384154796 /nfs/dbraw/zinc/15/47/96/384154796.db2.gz FPVFGPRDIKKQIW-LLVKDONJSA-N 1 1 214.353 1.208 40 0 BDABMO Nc1cc(N2CCC[C@@H]2c2cnccn2)nc[nH+]1 ZINC000072357412 384213183 /nfs/dbraw/zinc/21/31/83/384213183.db2.gz HBDRSCDNYUOKNY-SNVBAGLBSA-N 1 1 242.286 1.190 40 0 BDABMO Cc1c[nH]nc1[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000072381912 384216331 /nfs/dbraw/zinc/21/63/31/384216331.db2.gz FQUKCUQSAMSRCW-NSHDSACASA-N 1 1 245.330 1.441 40 0 BDABMO Cc1c[nH]nc1[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000072381912 384216339 /nfs/dbraw/zinc/21/63/39/384216339.db2.gz FQUKCUQSAMSRCW-NSHDSACASA-N 1 1 245.330 1.441 40 0 BDABMO CC(C)[N@H+]1CCC[C@H]1c1cc(CCO)n[nH]1 ZINC000072381386 384218026 /nfs/dbraw/zinc/21/80/26/384218026.db2.gz DUMIXPHNIFSMHB-LBPRGKRZSA-N 1 1 223.320 1.490 40 0 BDABMO O=C(C[NH+]1CCCC1)Nc1cccnc1 ZINC000409386303 384250789 /nfs/dbraw/zinc/25/07/89/384250789.db2.gz RZYJXHONPGRGPO-UHFFFAOYSA-N 1 1 205.261 1.116 40 0 BDABMO CCN(CC)CC[NH2+]Cc1cccnc1 ZINC000095212896 384366286 /nfs/dbraw/zinc/36/62/86/384366286.db2.gz WLBMDWQKHXVUEZ-UHFFFAOYSA-N 1 1 207.321 1.513 40 0 BDABMO COCc1nc([C@H]2CCCCC[NH2+]2)no1 ZINC000095348374 384370792 /nfs/dbraw/zinc/37/07/92/384370792.db2.gz VNHALUREALLPEZ-MRVPVSSYSA-N 1 1 211.265 1.421 40 0 BDABMO CO[C@H]1CO[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1 ZINC000096218347 384442917 /nfs/dbraw/zinc/44/29/17/384442917.db2.gz VEKMASJUMRBDAS-KGLIPLIRSA-N 1 1 248.326 1.461 40 0 BDABMO CCCCN(C)Cc1c(C[NH3+])cnn1C ZINC000408715518 384702013 /nfs/dbraw/zinc/70/20/13/384702013.db2.gz BKQKXEXGIMCESE-UHFFFAOYSA-N 1 1 210.325 1.111 40 0 BDABMO O=C1CSC(=O)N1C[NH+]1CCCCCC1 ZINC000055107174 384870062 /nfs/dbraw/zinc/87/00/62/384870062.db2.gz GPAWVZUZVMREJO-UHFFFAOYSA-N 1 1 228.317 1.515 40 0 BDABMO CN(C)C(=O)c1conc1[C@H]1CCCC[NH2+]1 ZINC000072208437 385061396 /nfs/dbraw/zinc/06/13/96/385061396.db2.gz ORNJOZOENJMWKP-SECBINFHSA-N 1 1 223.276 1.191 40 0 BDABMO CC[C@](C)([C@H](CN)CO)[NH+]1CCCCC1 ZINC000072210361 385068291 /nfs/dbraw/zinc/06/82/91/385068291.db2.gz ILZQINXJZRKOEF-VXGBXAGGSA-N 1 1 214.353 1.208 40 0 BDABMO Cn1cncc1C[N@H+]1CC[C@@H](c2cc[nH]n2)C1 ZINC000072187629 385043344 /nfs/dbraw/zinc/04/33/44/385043344.db2.gz XAMOEMXCZBBQDH-SNVBAGLBSA-N 1 1 231.303 1.133 40 0 BDABMO Cc1cc(CCO)c[nH+]c1N1CCCC1 ZINC000072222449 385109251 /nfs/dbraw/zinc/10/92/51/385109251.db2.gz INYQGZVRPXWOIN-UHFFFAOYSA-N 1 1 206.289 1.525 40 0 BDABMO Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1C=O ZINC000072223695 385115438 /nfs/dbraw/zinc/11/54/38/385115438.db2.gz DMALEFGYXUNVEY-UHFFFAOYSA-N 1 1 247.342 1.733 40 0 BDABMO CC[C@@H]([NH3+])c1cnc(N2CCN(C)CC2)cc1C ZINC000072223610 385115554 /nfs/dbraw/zinc/11/55/54/385115554.db2.gz VYWCIOIEERXUSL-CYBMUJFWSA-N 1 1 248.374 1.552 40 0 BDABMO C[N@H+]1CCC[C@H]1c1cccnc1N1CCOCC1 ZINC000072216208 385094539 /nfs/dbraw/zinc/09/45/39/385094539.db2.gz PUNXHKFQQMQDFK-ZDUSSCGKSA-N 1 1 247.342 1.685 40 0 BDABMO Cc1nnc([C@@H]([NH3+])c2ccccc2Cl)n1C ZINC000096511387 385253621 /nfs/dbraw/zinc/25/36/21/385253621.db2.gz FPFCFEGNQYGCPD-JTQLQIEISA-N 1 1 236.706 1.825 40 0 BDABMO CCn1ccc(CN2CCC(C[NH3+])CC2)n1 ZINC000096523640 385266975 /nfs/dbraw/zinc/26/69/75/385266975.db2.gz OBCAGADGTSWOJM-UHFFFAOYSA-N 1 1 222.336 1.074 40 0 BDABMO [NH3+]C[C@@H]1CCCCN1Cc1[nH]nc2ccccc21 ZINC000096523585 385267777 /nfs/dbraw/zinc/26/77/77/385267777.db2.gz XZCRXMGYIPEODM-NSHDSACASA-N 1 1 244.342 1.876 40 0 BDABMO c1nc2ccccc2n1CCC[NH+]1CCNCC1 ZINC000096523646 385269288 /nfs/dbraw/zinc/26/92/88/385269288.db2.gz GZAHSFIPVBWKGY-UHFFFAOYSA-N 1 1 244.342 1.332 40 0 BDABMO CCS(=O)(=O)C[C@@H]([NH3+])c1ccccc1F ZINC000096524756 385275436 /nfs/dbraw/zinc/27/54/36/385275436.db2.gz JFJJNAOKCNWUOB-SNVBAGLBSA-N 1 1 231.292 1.260 40 0 BDABMO O=C([O-])C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000020376568 385289282 /nfs/dbraw/zinc/28/92/82/385289282.db2.gz WYTWMVPKXYCGDD-UHFFFAOYSA-N 1 1 248.326 1.325 40 0 BDABMO Cc1c[nH]c([C@H]2CCN(c3ccnc(C)n3)C2)[nH+]1 ZINC000257205713 385753282 /nfs/dbraw/zinc/75/32/82/385753282.db2.gz BAIDXHDMFXGYAZ-NSHDSACASA-N 1 1 243.314 1.810 40 0 BDABMO CO[C@H]1C[N@H+](C(C)C)CC[C@@]12CCCO2 ZINC000257213753 385753828 /nfs/dbraw/zinc/75/38/28/385753828.db2.gz CIYRXXZBJSOFFZ-RYUDHWBXSA-N 1 1 213.321 1.665 40 0 BDABMO Cc1c[nH]nc1[C@@]1(C)C[N@@H+](CC(C)C)CCO1 ZINC000257267988 385758762 /nfs/dbraw/zinc/75/87/62/385758762.db2.gz MJUITYRJHDJGAI-CYBMUJFWSA-N 1 1 237.347 1.922 40 0 BDABMO Cn1cccc1C[N@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000257305978 385762030 /nfs/dbraw/zinc/76/20/30/385762030.db2.gz SSIFOJVDHHCWRA-NSHDSACASA-N 1 1 230.315 1.738 40 0 BDABMO Cn1cccc1C[N@@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000257305978 385762035 /nfs/dbraw/zinc/76/20/35/385762035.db2.gz SSIFOJVDHHCWRA-NSHDSACASA-N 1 1 230.315 1.738 40 0 BDABMO Cn1cccc1C[N@H+]1CC[C@H](c2ccn[nH]2)C1 ZINC000257305978 385762041 /nfs/dbraw/zinc/76/20/41/385762041.db2.gz SSIFOJVDHHCWRA-NSHDSACASA-N 1 1 230.315 1.738 40 0 BDABMO Cc1cc(C)nc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257295915 385762144 /nfs/dbraw/zinc/76/21/44/385762144.db2.gz RALIEGDJDCHAIT-LBPRGKRZSA-N 1 1 235.331 1.265 40 0 BDABMO N[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000218870604 386351764 /nfs/dbraw/zinc/35/17/64/386351764.db2.gz PKAFNOZHKZAREC-CHWSQXEVSA-N 1 1 204.317 1.699 40 0 BDABMO N[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1 ZINC000218870654 386353263 /nfs/dbraw/zinc/35/32/63/386353263.db2.gz PKAFNOZHKZAREC-QWHCGFSZSA-N 1 1 204.317 1.699 40 0 BDABMO COC[C@@H]1C[N@H+](C2CCCC2)Cc2c1cnn2C ZINC000248005964 386741879 /nfs/dbraw/zinc/74/18/79/386741879.db2.gz CAADBDANYAYVHZ-NSHDSACASA-N 1 1 249.358 1.908 40 0 BDABMO c1cncc(O[C@H]2COCC[N@H+](C3CCC3)C2)c1 ZINC000085435990 387453862 /nfs/dbraw/zinc/45/38/62/387453862.db2.gz NBOIKNCFWMXWDA-CQSZACIVSA-N 1 1 248.326 1.714 40 0 biogenic,in-vitro BDABMO CC(C)n1nccc1CNCC[NH+](C)C ZINC000256051365 387857806 /nfs/dbraw/zinc/85/78/06/387857806.db2.gz IWIJZUMMSNEXCS-UHFFFAOYSA-N 1 1 210.325 1.115 40 0 BDABMO CC[C@@H](C)n1nccc1C[NH2+]Cc1cnn(C)c1 ZINC000256054005 387862478 /nfs/dbraw/zinc/86/24/78/387862478.db2.gz UPCJIBFPQGDZBK-LLVKDONJSA-N 1 1 247.346 1.877 40 0 BDABMO COC(=O)Cn1cc(NC2=[NH+]CCCC2)cn1 ZINC000217811270 388382253 /nfs/dbraw/zinc/38/22/53/388382253.db2.gz SOUQZGHFYATACV-UHFFFAOYSA-N 1 1 236.275 1.050 40 0 BDABMO C[NH+](C)CC(=O)N1CCCc2ccccc21 ZINC000066108590 132390567 /nfs/dbraw/zinc/39/05/67/132390567.db2.gz FIATTZNDRDZMSZ-UHFFFAOYSA-N 1 1 218.300 1.527 40 0 BDABMO CC(C)[NH+]1CCN(c2ccc(C=O)cn2)CC1 ZINC000072225604 132396628 /nfs/dbraw/zinc/39/66/28/132396628.db2.gz ZQCSNNVOYXJKEU-UHFFFAOYSA-N 1 1 233.315 1.425 40 0 BDABMO CC(C)[N@@H+]1CCn2c(nnc2[C@H]2CCCN2C)C1 ZINC000072373973 167028183 /nfs/dbraw/zinc/02/81/83/167028183.db2.gz QQFJOKBPCVWPPS-LLVKDONJSA-N 1 1 249.362 1.269 40 0 BDABMO CC(C)[N@H+]1CCn2c(nnc2[C@H]2CCCN2C)C1 ZINC000072373973 167028186 /nfs/dbraw/zinc/02/81/86/167028186.db2.gz QQFJOKBPCVWPPS-LLVKDONJSA-N 1 1 249.362 1.269 40 0 BDABMO CC(C)Nc1nc(NC(C)C)[nH+]c(N(C)C)n1 ZINC000000856857 167150352 /nfs/dbraw/zinc/15/03/52/167150352.db2.gz YVOCENWGCCYARJ-UHFFFAOYSA-N 1 1 238.339 1.578 40 0 BDABMO CCOC(=O)[C@H]([NH3+])Cc1cn(C)c2ccccc12 ZINC000044339884 170275305 /nfs/dbraw/zinc/27/53/05/170275305.db2.gz VPDDSBCKUAFOIS-GFCCVEGCSA-N 1 1 246.310 1.611 40 0 BDABMO CCOCCC[N@@H+]1CCN[C@H]2CCC[C@H]21 ZINC000218841977 170373583 /nfs/dbraw/zinc/37/35/83/170373583.db2.gz XMJKNXPALFVAJK-NWDGAFQWSA-N 1 1 212.337 1.239 40 0 BDABMO CCOCCC[N@H+]1CCN[C@H]2CCC[C@H]21 ZINC000218841977 170373584 /nfs/dbraw/zinc/37/35/84/170373584.db2.gz XMJKNXPALFVAJK-NWDGAFQWSA-N 1 1 212.337 1.239 40 0 BDABMO CC[C@H](C)[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC000096182415 171320624 /nfs/dbraw/zinc/32/06/24/171320624.db2.gz DIQNSVREYBENEC-RWMBFGLXSA-N 1 1 246.358 1.643 40 0 BDABMO COCC[N@H+]1CCC[C@@H]1c1cncc(C)n1 ZINC000072357056 174307411 /nfs/dbraw/zinc/30/74/11/174307411.db2.gz ZJZQUAUILANNCL-GFCCVEGCSA-N 1 1 221.304 1.568 40 0 BDABMO COCC[NH2+]C1CCN(C(C)C)CC1 ZINC000019881157 174330614 /nfs/dbraw/zinc/33/06/14/174330614.db2.gz PQDAXWURZGJJTK-UHFFFAOYSA-N 1 1 200.326 1.095 40 0 BDABMO COCCNC1CC[NH+](C(C)C)CC1 ZINC000019881157 174330616 /nfs/dbraw/zinc/33/06/16/174330616.db2.gz PQDAXWURZGJJTK-UHFFFAOYSA-N 1 1 200.326 1.095 40 0 BDABMO COc1ccc(C(=O)[C@@H](C)[NH+](C)C)cc1 ZINC000037333632 175065486 /nfs/dbraw/zinc/06/54/86/175065486.db2.gz LODCRGDBFNUJIZ-SECBINFHSA-N 1 1 207.273 1.828 40 0 in-vitro BDABMO COc1ccc(CC[NH2+][C@H]2CCC[C@H]2N)cc1 ZINC000218873334 175092697 /nfs/dbraw/zinc/09/26/97/175092697.db2.gz DBCVSLJONOHOAC-KGLIPLIRSA-N 1 1 234.343 1.707 40 0 BDABMO COc1ccc2c(c1)C[N@H+](C)C[C@H]2OC ZINC000095470379 175209568 /nfs/dbraw/zinc/20/95/68/175209568.db2.gz MVTIPZXVPRJMOO-GFCCVEGCSA-N 1 1 207.273 1.828 40 0 BDABMO C[C@@H](c1cnccn1)[N@H+]1CCCC[C@@H]1CO ZINC000072203882 176037050 /nfs/dbraw/zinc/03/70/50/176037050.db2.gz FSSCFFPPZZZSSI-WDEREUQCSA-N 1 1 221.304 1.384 40 0 BDABMO CCCn1nccc1C[NH2+]Cc1cnn(C)c1 ZINC000020349845 521672931 /nfs/dbraw/zinc/67/29/31/521672931.db2.gz MJMVXASFWIYKBT-UHFFFAOYSA-N 1 1 233.319 1.316 40 0 BDABMO Cc1cccc(C[C@@H]2C[N@H+]3CCC[C@H]3CN2)c1 ZINC000039957312 524467822 /nfs/dbraw/zinc/46/78/22/524467822.db2.gz XWOBZZWMVQMZLD-CABCVRRESA-N 1 1 230.355 1.974 40 0 BDABMO CC(C)C[N@H+]1CCC[C@H](c2nncn2C)C1 ZINC000072361116 343980002 /nfs/dbraw/zinc/98/00/02/343980002.db2.gz WPKDTKSVSFQMCW-NSHDSACASA-N 1 1 222.336 1.651 40 0 BDABMO Cc1cc(=O)cc([C@H]2CCC[N@@H+](CCO)C2)[nH]1 ZINC000072356865 178199401 /nfs/dbraw/zinc/19/94/01/178199401.db2.gz XYAZIJDWYGHFOA-NSHDSACASA-N 1 1 236.315 1.267 40 0 BDABMO [NH3+][C@@H](c1noc(C2CC2)n1)[C@H]1CCCO1 ZINC000070453718 259313819 /nfs/dbraw/zinc/31/38/19/259313819.db2.gz ZOQJUIAQKXXWOE-HTQZYQBOSA-N 1 1 209.249 1.126 40 0 BDABMO C[N@@H+](CCO)CC[C@H]1COc2ccccc2O1 ZINC000001638857 342706519 /nfs/dbraw/zinc/70/65/19/342706519.db2.gz RLTYCLLSHWGJIQ-NSHDSACASA-N 1 1 237.299 1.141 40 0 BDABMO Fc1cccc(C[C@H]2C[N@H+]3CCC[C@H]3CN2)c1 ZINC000039957314 361908708 /nfs/dbraw/zinc/90/87/08/361908708.db2.gz UILPXBJQYNEVFD-KBPBESRZSA-N 1 1 234.318 1.804 40 0 BDABMO CN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(Cl)cc1Cl ZINC000072228299 259322569 /nfs/dbraw/zinc/32/25/69/259322569.db2.gz GHKAGPDBHJUHIQ-IUCAKERBSA-N 1 1 245.109 1.834 40 0 BDABMO CC(=O)N[C@@H]1CCCC[C@H]1[N@@H+](CCN)C(C)C ZINC000169676205 398342214 /nfs/dbraw/zinc/34/22/14/398342214.db2.gz CIHCWDAEEWKLMH-CHWSQXEVSA-N 1 1 241.379 1.103 40 0 BDABMO CC(=O)N[C@@H]1CCCC[C@H]1[N@H+](CCN)C(C)C ZINC000169676205 398342215 /nfs/dbraw/zinc/34/22/15/398342215.db2.gz CIHCWDAEEWKLMH-CHWSQXEVSA-N 1 1 241.379 1.103 40 0 BDABMO NN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000034963081 343281834 /nfs/dbraw/zinc/28/18/34/343281834.db2.gz BXWRQAZUWGDOSR-LBPRGKRZSA-N 1 1 205.305 1.114 40 0 BDABMO CC[NH+]1CCN(C[C@H]2Cc3ccccc3N2)CC1 ZINC000096524015 343758999 /nfs/dbraw/zinc/75/89/99/343758999.db2.gz YOANJFDVQDMTAP-CQSZACIVSA-N 1 1 245.370 1.661 40 0 BDABMO Cc1cccc([C@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072383206 179203709 /nfs/dbraw/zinc/20/37/09/179203709.db2.gz FWBYXDNLCHEAKX-NSHDSACASA-N 1 1 233.315 1.055 40 0 BDABMO Cc1cccc([C@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072383206 179203711 /nfs/dbraw/zinc/20/37/11/179203711.db2.gz FWBYXDNLCHEAKX-NSHDSACASA-N 1 1 233.315 1.055 40 0 BDABMO Cc1ccccc1-c1n[nH]c([C@@H](C)[NH3+])n1 ZINC000082510268 179236449 /nfs/dbraw/zinc/23/64/49/179236449.db2.gz CMANGHUIHQDMLT-MRVPVSSYSA-N 1 1 202.261 1.800 40 0 BDABMO Cc1ccccc1NC(=O)CN1CC[NH+](C)CC1 ZINC000019237308 179298506 /nfs/dbraw/zinc/29/85/06/179298506.db2.gz PMUMXJFDGVQJNX-UHFFFAOYSA-N 1 1 247.342 1.181 40 0 BDABMO Cc1ncnc2c1CC[N@@H+](CC1CC1)CC2 ZINC000096058598 180290423 /nfs/dbraw/zinc/29/04/23/180290423.db2.gz FTLUKPHNLVAWEF-UHFFFAOYSA-N 1 1 217.316 1.596 40 0 BDABMO CC(C)(C)N1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000256053350 351033438 /nfs/dbraw/zinc/03/34/38/351033438.db2.gz RCKAXZQXQSZYPS-MNOVXSKESA-N 1 1 236.290 1.835 40 0 BDABMO CC(=O)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225683831 191133041 /nfs/dbraw/zinc/13/30/41/191133041.db2.gz HHTSERYVAXVVEL-HNNXBMFYSA-N 1 1 244.338 1.666 40 0 BDABMO O=C1C=CC[C@@H]2[C@@H]3CCC[N@H+]4CCC[C@@H](CN12)[C@@H]34 ZINC000002117629 363200117 /nfs/dbraw/zinc/20/01/17/363200117.db2.gz AAGFPTSOPGCENQ-XPCVCDNBSA-N 1 1 246.354 1.648 40 0 BDABMO NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000049237522 181232262 /nfs/dbraw/zinc/23/22/62/181232262.db2.gz NUDIBXJALTUHJV-NSHDSACASA-N 1 1 222.263 1.448 40 0 BDABMO NC(=O)C[N@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000049237522 181232264 /nfs/dbraw/zinc/23/22/64/181232264.db2.gz NUDIBXJALTUHJV-NSHDSACASA-N 1 1 222.263 1.448 40 0 BDABMO C[C@H](C1CC1)[N@@H+](C1CC1)[C@@H]1CNCC[C@]1(C)O ZINC000685936118 538756470 /nfs/dbraw/zinc/75/64/70/538756470.db2.gz FYAXTXJNIYAOCQ-HONMWMINSA-N 1 1 238.375 1.362 40 0 BDABMO C[C@H](C1CC1)N(C1CC1)[C@@H]1C[NH2+]CC[C@]1(C)O ZINC000685936118 538756477 /nfs/dbraw/zinc/75/64/77/538756477.db2.gz FYAXTXJNIYAOCQ-HONMWMINSA-N 1 1 238.375 1.362 40 0 BDABMO C[C@H](C1CC1)[N@@H+](C1CC1)[C@H]1CNCC[C@]1(C)O ZINC000685936120 538757744 /nfs/dbraw/zinc/75/77/44/538757744.db2.gz FYAXTXJNIYAOCQ-SWHYSGLUSA-N 1 1 238.375 1.362 40 0 BDABMO C[C@H](C1CC1)N(C1CC1)[C@H]1C[NH2+]CC[C@]1(C)O ZINC000685936120 538757749 /nfs/dbraw/zinc/75/77/49/538757749.db2.gz FYAXTXJNIYAOCQ-SWHYSGLUSA-N 1 1 238.375 1.362 40 0 BDABMO Cn1ccc(C[NH2+]Cc2cccn2C)n1 ZINC000020351111 357339396 /nfs/dbraw/zinc/33/93/96/357339396.db2.gz QYVJJSJEFITCDX-UHFFFAOYSA-N 1 1 204.277 1.048 40 0 BDABMO CCOCCC[N@@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000225712309 259541019 /nfs/dbraw/zinc/54/10/19/259541019.db2.gz KZKNJYKAMVANNE-STQMWFEESA-N 1 1 226.364 1.629 40 0 BDABMO CCOCCC[N@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000225712309 259541021 /nfs/dbraw/zinc/54/10/21/259541021.db2.gz KZKNJYKAMVANNE-STQMWFEESA-N 1 1 226.364 1.629 40 0 BDABMO COCCC[N@H+]1CCN[C@H]2CCCC[C@@H]21 ZINC000225711706 259541242 /nfs/dbraw/zinc/54/12/42/259541242.db2.gz VYWZRUFXEWYJCB-RYUDHWBXSA-N 1 1 212.337 1.239 40 0 BDABMO COCCCN1CC[NH2+][C@H]2CCCC[C@@H]21 ZINC000225711706 259541243 /nfs/dbraw/zinc/54/12/43/259541243.db2.gz VYWZRUFXEWYJCB-RYUDHWBXSA-N 1 1 212.337 1.239 40 0 BDABMO CC(C)(C)CC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000027932816 371555381 /nfs/dbraw/zinc/55/53/81/371555381.db2.gz FGEUUJJXRYGHFB-LLVKDONJSA-N 1 1 224.348 1.729 40 0 BDABMO O=C(CC[N@@H+]1CCC[C@H](O)C1)c1ccccc1 ZINC000038438515 372604049 /nfs/dbraw/zinc/60/40/49/372604049.db2.gz VZBUWWZRBXHVJA-ZDUSSCGKSA-N 1 1 233.311 1.716 40 0 BDABMO O=C(Nc1cccc(Cl)c1)[C@H]1CSC[NH2+]1 ZINC000019442442 182368477 /nfs/dbraw/zinc/36/84/77/182368477.db2.gz DLJURMRCIDFVED-SECBINFHSA-N 1 1 242.731 1.941 40 0 BDABMO O[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000038538831 183198124 /nfs/dbraw/zinc/19/81/24/183198124.db2.gz DOZVNOAPUMMXOY-LLVKDONJSA-N 1 1 211.692 1.907 40 0 BDABMO O[C@H]1CC[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000038538829 183239407 /nfs/dbraw/zinc/23/94/07/183239407.db2.gz DOZVNOAPUMMXOY-NSHDSACASA-N 1 1 211.692 1.907 40 0 BDABMO O[C@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038538676 183240160 /nfs/dbraw/zinc/24/01/60/183240160.db2.gz PXEJSKHLNKPJTA-JTQLQIEISA-N 1 1 211.692 1.907 40 0 BDABMO CC[N@@H+](CCO)[C@H]1CCCC[C@@H]1N(C)C ZINC000079405993 384138189 /nfs/dbraw/zinc/13/81/89/384138189.db2.gz OYDNNWKIHWGQAS-RYUDHWBXSA-N 1 1 214.353 1.173 40 0 BDABMO CCN(CCO)[C@H]1CCCC[C@@H]1[NH+](C)C ZINC000079405993 384138194 /nfs/dbraw/zinc/13/81/94/384138194.db2.gz OYDNNWKIHWGQAS-RYUDHWBXSA-N 1 1 214.353 1.173 40 0 BDABMO [NH3+]Cc1nc(-c2cc3ccccc3o2)no1 ZINC000040165585 384127864 /nfs/dbraw/zinc/12/78/64/384127864.db2.gz SJLAFPIECDBYQX-UHFFFAOYSA-N 1 1 215.212 1.942 40 0 BDABMO CN(C)[C@H]1CCCC[C@@H]1[N@H+](CCO)C1CC1 ZINC000079423132 384146762 /nfs/dbraw/zinc/14/67/62/384146762.db2.gz SQUWYBOMJCWVLV-STQMWFEESA-N 1 1 226.364 1.316 40 0 BDABMO CN(C)[C@H]1CCCC[C@@H]1[N@@H+](CCO)C1CC1 ZINC000079423132 384146763 /nfs/dbraw/zinc/14/67/63/384146763.db2.gz SQUWYBOMJCWVLV-STQMWFEESA-N 1 1 226.364 1.316 40 0 BDABMO CN(C)[C@@H]1CCCC[C@@H]1[N@H+](CCO)C1CC1 ZINC000079423129 384146805 /nfs/dbraw/zinc/14/68/05/384146805.db2.gz SQUWYBOMJCWVLV-OLZOCXBDSA-N 1 1 226.364 1.316 40 0 BDABMO CN(C)[C@@H]1CCCC[C@@H]1[N@@H+](CCO)C1CC1 ZINC000079423129 384146806 /nfs/dbraw/zinc/14/68/06/384146806.db2.gz SQUWYBOMJCWVLV-OLZOCXBDSA-N 1 1 226.364 1.316 40 0 BDABMO CC(C)[N@H+](CCO)[C@@H](C)c1nccs1 ZINC000079436082 384146853 /nfs/dbraw/zinc/14/68/53/384146853.db2.gz ZOVCTIRFHIFLAW-VIFPVBQESA-N 1 1 214.334 1.907 40 0 BDABMO CC(C)[N@@H+](CCO)[C@@H](C)c1nccs1 ZINC000079436082 384146854 /nfs/dbraw/zinc/14/68/54/384146854.db2.gz ZOVCTIRFHIFLAW-VIFPVBQESA-N 1 1 214.334 1.907 40 0 BDABMO CC(C)[N@@H+](C)C[C@H]1CCCCN1CCO ZINC000079418500 384143045 /nfs/dbraw/zinc/14/30/45/384143045.db2.gz OUVBLQVROAHJLI-GFCCVEGCSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)N(C)C[C@H]1CCCC[N@@H+]1CCO ZINC000079418500 384143049 /nfs/dbraw/zinc/14/30/49/384143049.db2.gz OUVBLQVROAHJLI-GFCCVEGCSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)N(C)C[C@H]1CCCC[N@H+]1CCO ZINC000079418500 384143056 /nfs/dbraw/zinc/14/30/56/384143056.db2.gz OUVBLQVROAHJLI-GFCCVEGCSA-N 1 1 214.353 1.173 40 0 BDABMO Cc1ccc2c(c1)[nH]c1c2nc[nH+]c1NN ZINC000408712490 384179918 /nfs/dbraw/zinc/17/99/18/384179918.db2.gz UJAHYKBGFHKCHU-UHFFFAOYSA-N 1 1 213.244 1.705 40 0 BDABMO CN(C)c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000072381251 384215762 /nfs/dbraw/zinc/21/57/62/384215762.db2.gz ZDQAUSSZYFTLRN-NSHDSACASA-N 1 1 205.305 1.914 40 0 BDABMO CC(C)N1CCC[C@@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072373890 384216953 /nfs/dbraw/zinc/21/69/53/384216953.db2.gz ZLPSZMMVAORANL-LLVKDONJSA-N 1 1 249.362 1.269 40 0 BDABMO CNc1cc(C)nc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072381298 384217934 /nfs/dbraw/zinc/21/79/34/384217934.db2.gz UYCZSBKJDIJBHQ-SNVBAGLBSA-N 1 1 220.320 1.636 40 0 BDABMO COc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000096054907 384430161 /nfs/dbraw/zinc/43/01/61/384430161.db2.gz SLBHJOUWXGWGCR-BETUJISGSA-N 1 1 233.311 1.773 40 0 BDABMO O=C1NCC[C@]12CCC[N@@H+](Cc1ccco1)CC2 ZINC000108528474 385051392 /nfs/dbraw/zinc/05/13/92/385051392.db2.gz SURKEQRZEKPVJO-AWEZNQCLSA-N 1 1 248.326 1.772 40 0 BDABMO C[C@H](O)CN1CCC[C@@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000225528444 385082513 /nfs/dbraw/zinc/08/25/13/385082513.db2.gz QQVNFJUUBWYODO-XQQFMLRXSA-N 1 1 226.364 1.173 40 0 BDABMO C[C@H](O)CN1CCC[C@@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000225528444 385082520 /nfs/dbraw/zinc/08/25/20/385082520.db2.gz QQVNFJUUBWYODO-XQQFMLRXSA-N 1 1 226.364 1.173 40 0 BDABMO COC(=O)[C@H]([NH3+])Cc1c(C)[nH]c2ccccc21 ZINC000039187114 385030151 /nfs/dbraw/zinc/03/01/51/385030151.db2.gz AAGMGVFODZUQBI-LLVKDONJSA-N 1 1 232.283 1.519 40 0 BDABMO CC[C@H]([NH3+])c1ccc(N2CCN(CC)CC2)nc1 ZINC000072225553 385122844 /nfs/dbraw/zinc/12/28/44/385122844.db2.gz GGUOOVJEERFBPA-ZDUSSCGKSA-N 1 1 248.374 1.633 40 0 BDABMO [NH3+][C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccco1 ZINC000072228137 385128804 /nfs/dbraw/zinc/12/88/04/385128804.db2.gz ZITVDBMCNCLZAD-OLZOCXBDSA-N 1 1 242.278 1.690 40 0 BDABMO CC(C)Cc1[nH]nc2c1[C@@H]1CC[C@H](C2)[NH2+]1 ZINC000096510289 385244101 /nfs/dbraw/zinc/24/41/01/385244101.db2.gz WNHOEAOUEBMLGS-BDAKNGLRSA-N 1 1 205.305 1.957 40 0 BDABMO COc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000038538979 385311412 /nfs/dbraw/zinc/31/14/12/385311412.db2.gz FVNIYVNCXKSWBF-LLVKDONJSA-N 1 1 207.273 1.262 40 0 BDABMO COc1ccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1 ZINC000335796161 385321105 /nfs/dbraw/zinc/32/11/05/385321105.db2.gz VPFRKLVMPRESEZ-CYBMUJFWSA-N 1 1 235.327 1.898 40 0 BDABMO CSCC[C@H](N)C[NH+]1CCCCCC1 ZINC000096523854 385268040 /nfs/dbraw/zinc/26/80/40/385268040.db2.gz NRNUYOIZDFSDNH-NSHDSACASA-N 1 1 216.394 1.943 40 0 BDABMO [NH3+]Cc1ccc2[nH]c(C(F)F)cc(=O)c2c1 ZINC000096529378 385281787 /nfs/dbraw/zinc/28/17/87/385281787.db2.gz FWXCZNZKOSAOSW-UHFFFAOYSA-N 1 1 224.210 1.924 40 0 BDABMO COC(=O)c1ccc(Cn2cc[nH+]c2C)o1 ZINC000024547730 385547979 /nfs/dbraw/zinc/54/79/79/385547979.db2.gz CQDUQKUNAQOOAV-UHFFFAOYSA-N 1 1 220.228 1.619 40 0 BDABMO CC(C)C[NH+](CC(C)C)C[C@@H](O)CNC1CC1 ZINC000042033843 385755203 /nfs/dbraw/zinc/75/52/03/385755203.db2.gz BRGOEBAUFUZEOM-AWEZNQCLSA-N 1 1 242.407 1.713 40 0 BDABMO CN(C)c1cnc(C[C@@H]2CCC[N@@H+](C)CC2)cn1 ZINC000257340008 385765211 /nfs/dbraw/zinc/76/52/11/385765211.db2.gz ZECWQTULPRZXJP-GFCCVEGCSA-N 1 1 248.374 1.817 40 0 BDABMO CC(C)N1CCOC[C@@]2(CCC[NH2+]C2)C1 ZINC000306136207 385992278 /nfs/dbraw/zinc/99/22/78/385992278.db2.gz PMQYJEUFNLHXIQ-GFCCVEGCSA-N 1 1 212.337 1.097 40 0 BDABMO C[C@H]1[NH2+]CCn2c(COCC3CC3)cnc21 ZINC000306144432 385992339 /nfs/dbraw/zinc/99/23/39/385992339.db2.gz ZEVVFQOMNVVKBB-SECBINFHSA-N 1 1 221.304 1.474 40 0 BDABMO Clc1ccc2c(c1)OCC[C@]21COCC[NH2+]1 ZINC000306146023 385995476 /nfs/dbraw/zinc/99/54/76/385995476.db2.gz ZORWLAHGFBVGEW-LBPRGKRZSA-N 1 1 239.702 1.938 40 0 BDABMO Clc1ccc2c(c1)OCC[C@@]21COCC[NH2+]1 ZINC000306146022 385994246 /nfs/dbraw/zinc/99/42/46/385994246.db2.gz ZORWLAHGFBVGEW-GFCCVEGCSA-N 1 1 239.702 1.938 40 0 BDABMO COCCn1c(C)[nH+]c2cc(C)c(N)cc21 ZINC000223770576 386099834 /nfs/dbraw/zinc/09/98/34/386099834.db2.gz PVTYCGLWZADMDV-UHFFFAOYSA-N 1 1 219.288 1.882 40 0 BDABMO CO[C@H]1Cn2nccc2C[N@H+](C2CCCC2)C1 ZINC000247834578 386734957 /nfs/dbraw/zinc/73/49/57/386734957.db2.gz IOPGONIETHSFCO-CYBMUJFWSA-N 1 1 235.331 1.656 40 0 BDABMO CN(Cc1ccccn1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000248156225 386746266 /nfs/dbraw/zinc/74/62/66/386746266.db2.gz ZEFJJZJDPDVJSI-VHDGCEQUSA-N 1 1 245.370 1.902 40 0 BDABMO C[NH+]1CC2(C1)OCC[C@@H]2COCc1cccnc1 ZINC000248023409 386741404 /nfs/dbraw/zinc/74/14/04/386741404.db2.gz KEGXYJVWVFRZFZ-CYBMUJFWSA-N 1 1 248.326 1.319 40 0 BDABMO Cc1[nH+]cc2n1CCN(c1cc(Cl)ncn1)C2 ZINC000038579899 388546626 /nfs/dbraw/zinc/54/66/26/388546626.db2.gz XPVKVRNQVNVGCX-UHFFFAOYSA-N 1 1 249.705 1.655 40 0 BDABMO COc1ccc([C@H]([NH3+])c2nnc(C(C)C)[nH]2)cc1 ZINC000095533653 388777296 /nfs/dbraw/zinc/77/72/96/388777296.db2.gz QBNIEZCOOHQFSH-NSHDSACASA-N 1 1 246.314 1.985 40 0 BDABMO COc1ccc([C@@H]([NH3+])c2nnc(C)[nH]2)cc1OC ZINC000095533784 388777782 /nfs/dbraw/zinc/77/77/82/388777782.db2.gz SWJLCZWUWUCROO-LLVKDONJSA-N 1 1 248.286 1.178 40 0 BDABMO COc1cc(C[NH3+])cc(CN(C)C)c1OC ZINC000225723354 388842915 /nfs/dbraw/zinc/84/29/15/388842915.db2.gz ZIUSSWCGKHLHGT-UHFFFAOYSA-N 1 1 224.304 1.224 40 0 BDABMO Nc1ccc[nH+]c1N1CCCC[C@H]1CO ZINC000048857564 132355485 /nfs/dbraw/zinc/35/54/85/132355485.db2.gz JBHCUPGXQVCVBP-VIFPVBQESA-N 1 1 207.277 1.015 40 0 BDABMO CC(C)Cn1nccc1C[NH2+]Cc1ccnn1C ZINC000256049675 398040526 /nfs/dbraw/zinc/04/05/26/398040526.db2.gz AXFJKFUREQXHQD-UHFFFAOYSA-N 1 1 247.346 1.562 40 0 BDABMO CC[NH+](CC)[C@@](C)(CC)[C@H](CN)CO ZINC000072210356 322906098 /nfs/dbraw/zinc/90/60/98/322906098.db2.gz MLFOMDOARNOWFZ-MNOVXSKESA-N 1 1 202.342 1.064 40 0 BDABMO CC1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000069564010 168175278 /nfs/dbraw/zinc/17/52/78/168175278.db2.gz RKFJLKUHQKPBKA-GFCCVEGCSA-N 1 1 224.348 1.587 40 0 BDABMO CCC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000017466970 168232130 /nfs/dbraw/zinc/23/21/30/168232130.db2.gz LDCQPTDRQJWLOD-NEPJUHHUSA-N 1 1 224.348 1.777 40 0 BDABMO CCOC(=O)CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000039075748 170197811 /nfs/dbraw/zinc/19/78/11/170197811.db2.gz FEXIQRWMZBXNCT-FGWVZKOKSA-N 1 1 211.305 1.812 40 0 BDABMO C[C@@H]1CCC[N@@H+](Cc2cc(N)nn2C)C1 ZINC000408716670 411905202 /nfs/dbraw/zinc/90/52/02/411905202.db2.gz PNYXBTHXNGGLAN-SECBINFHSA-N 1 1 208.309 1.234 40 0 BDABMO Cn1cc(CN2CCCC23CC[NH+](C)CC3)cn1 ZINC000096227981 173003339 /nfs/dbraw/zinc/00/33/39/173003339.db2.gz BDYZAKFUVSPTOY-UHFFFAOYSA-N 1 1 248.374 1.480 40 0 BDABMO CN(C)c1cccc([C@@H]2CCC[N@@H+](C)C2)n1 ZINC000072381282 173023544 /nfs/dbraw/zinc/02/35/44/173023544.db2.gz YONCOEFAOFFNFI-LLVKDONJSA-N 1 1 219.332 1.957 40 0 BDABMO C[N@H+]1CCC[C@H](c2nccnc2-c2ncc[nH]2)C1 ZINC000257262437 173047618 /nfs/dbraw/zinc/04/76/18/173047618.db2.gz LLKJTBYRDXWJDG-JTQLQIEISA-N 1 1 243.314 1.676 40 0 BDABMO C[N@H+]1CCC[C@H](c2ccc(NCCO)cn2)C1 ZINC000072383417 173048526 /nfs/dbraw/zinc/04/85/26/173048526.db2.gz ZWYYMYCMRYQSPD-NSHDSACASA-N 1 1 235.331 1.295 40 0 BDABMO CN1c2ccccc2[C@@]2(CC[N@@H+](C)C2)C1=O ZINC000096244806 173137467 /nfs/dbraw/zinc/13/74/67/173137467.db2.gz RXLINJUPWMMDFV-ZDUSSCGKSA-N 1 1 216.284 1.236 40 0 BDABMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccccc3)C[C@H]2C1 ZINC000063527603 173198008 /nfs/dbraw/zinc/19/80/08/173198008.db2.gz OFWWUNODGAZMAH-BETUJISGSA-N 1 1 230.311 1.320 40 0 BDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1cccnc1)C2 ZINC000020524008 173206847 /nfs/dbraw/zinc/20/68/47/173206847.db2.gz ICMHXMJFPIFSGH-AGUYFDCRSA-N 1 1 231.343 1.796 40 0 BDABMO COCC[N@H+]1CCC[C@H](Cc2ncccn2)C1 ZINC000257206375 174307342 /nfs/dbraw/zinc/30/73/42/174307342.db2.gz BDCCUAYCOWPKPK-GFCCVEGCSA-N 1 1 235.331 1.378 40 0 BDABMO COc1cc2c(cc1OC)[C@@H](CC[NH3+])NCC2 ZINC000031947588 175025569 /nfs/dbraw/zinc/02/55/69/175025569.db2.gz YJXPOXONGWGWNK-LLVKDONJSA-N 1 1 236.315 1.239 40 0 BDABMO COc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1F ZINC000038539717 175100142 /nfs/dbraw/zinc/10/01/42/175100142.db2.gz OKMSEIGDLVJSFK-NSHDSACASA-N 1 1 239.290 1.791 40 0 BDABMO COc1cccc(C[NH2+]Cc2ccn(C)n2)c1 ZINC000002536092 175266177 /nfs/dbraw/zinc/26/61/77/175266177.db2.gz CDUKSXVOROXGGC-UHFFFAOYSA-N 1 1 231.299 1.719 40 0 BDABMO COc1cccc([C@@H]([NH3+])c2nnc(C(C)C)[nH]2)c1 ZINC000095533510 175289291 /nfs/dbraw/zinc/28/92/91/175289291.db2.gz PJHGEWCDPJQWQR-LLVKDONJSA-N 1 1 246.314 1.985 40 0 BDABMO COc1ccnc(NC2CC[NH2+]CC2)c1 ZINC000034566170 175364612 /nfs/dbraw/zinc/36/46/12/175364612.db2.gz MJCCEHUAWQWHGP-UHFFFAOYSA-N 1 1 207.277 1.254 40 0 BDABMO C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1ccoc1 ZINC000072397539 176324362 /nfs/dbraw/zinc/32/43/62/176324362.db2.gz MRBHYZJKKSJHFW-YPMHNXCESA-N 1 1 220.316 1.948 40 0 BDABMO C[C@@H]1CNCC[N@@H+]1CCc1ccccc1 ZINC000041213215 176326561 /nfs/dbraw/zinc/32/65/61/176326561.db2.gz AIBKALAREQBOCN-GFCCVEGCSA-N 1 1 204.317 1.523 40 0 BDABMO C[C@@H]1CNCC[N@H+]1CCc1ccccc1 ZINC000041213215 176326562 /nfs/dbraw/zinc/32/65/62/176326562.db2.gz AIBKALAREQBOCN-GFCCVEGCSA-N 1 1 204.317 1.523 40 0 BDABMO C[NH2+][C@@H](C(=O)OCc1ccccc1)C(C)C ZINC000001724771 487725644 /nfs/dbraw/zinc/72/56/44/487725644.db2.gz GNXSEJASXOKTCC-GFCCVEGCSA-N 1 1 221.300 1.974 40 0 BDABMO CC(C)[N@@H+](CCO)[C@@H]1CCCC[C@H]1N(C)C ZINC000248022616 519649003 /nfs/dbraw/zinc/64/90/03/519649003.db2.gz FUGWAFHEEDYZQR-CHWSQXEVSA-N 1 1 228.380 1.562 40 0 BDABMO CC(C)N(CCO)[C@@H]1CCCC[C@H]1[NH+](C)C ZINC000248022616 519649005 /nfs/dbraw/zinc/64/90/05/519649005.db2.gz FUGWAFHEEDYZQR-CHWSQXEVSA-N 1 1 228.380 1.562 40 0 BDABMO Cc1[nH+]c(N(C)N)ccc1Br ZINC000199546126 526951623 /nfs/dbraw/zinc/95/16/23/526951623.db2.gz AIGZNZFMMQKMGH-UHFFFAOYSA-N 1 1 216.082 1.462 40 0 BDABMO Cn1c(=O)ccc2c1CC[N@@H+](CC1CCC1)CC2 ZINC000096067727 631644187 /nfs/dbraw/zinc/64/41/87/631644187.db2.gz IWUYLWWMYUDNFF-UHFFFAOYSA-N 1 1 246.354 1.586 40 0 BDABMO CCc1cc(N[C@@H]2CCC[C@@H]2CO)nc(C)[nH+]1 ZINC000227866005 640851709 /nfs/dbraw/zinc/85/17/09/640851709.db2.gz ANBDCLQGTNTEBX-ZYHUDNBSSA-N 1 1 235.331 1.920 40 0 BDABMO Cc1cc(F)ccc1CNC1CC[NH2+]CC1 ZINC000067802654 178085956 /nfs/dbraw/zinc/08/59/56/178085956.db2.gz VZIXMRMBPAMISN-UHFFFAOYSA-N 1 1 222.307 1.976 40 0 BDABMO Cc1cc(N(C)C)cc([C@@H]2CC[NH2+]C2)n1 ZINC000072344148 178095601 /nfs/dbraw/zinc/09/56/01/178095601.db2.gz YZRTWIHHRFIRLC-SNVBAGLBSA-N 1 1 205.305 1.533 40 0 BDABMO Cc1cc2c(cc1C[N@H+]1CC[C@@H](CO)C1)OCO2 ZINC000013570130 178288865 /nfs/dbraw/zinc/28/88/65/178288865.db2.gz CGVJBJAGEGJGBD-LLVKDONJSA-N 1 1 249.310 1.538 40 0 BDABMO C[NH+](C)[C@@H](CO)c1ccc(F)cc1F ZINC000070452784 259312902 /nfs/dbraw/zinc/31/29/02/259312902.db2.gz BFQJMLGUHRXYIP-JTQLQIEISA-N 1 1 201.216 1.560 40 0 BDABMO CCCCCC[N@@H+](C[C@@H](C)O)C[C@H](C)O ZINC000006203331 342774972 /nfs/dbraw/zinc/77/49/72/342774972.db2.gz CFGWPTDWIBCXMS-TXEJJXNPSA-N 1 1 217.353 1.630 40 0 BDABMO O=C(CC[NH2+][C@H]1CCCNC1)c1ccccc1 ZINC000043220487 342790911 /nfs/dbraw/zinc/79/09/11/342790911.db2.gz NXJWMQUCLPZTME-ZDUSSCGKSA-N 1 1 232.327 1.601 40 0 BDABMO CCc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2C)cc1 ZINC000072228292 259323085 /nfs/dbraw/zinc/32/30/85/259323085.db2.gz ROAVTEYLLCLWHX-GHMZBOCLSA-N 1 1 204.273 1.089 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1Cl ZINC000072228300 259323026 /nfs/dbraw/zinc/32/30/26/259323026.db2.gz GHKAGPDBHJUHIQ-RKDXNWHRSA-N 1 1 245.109 1.834 40 0 BDABMO CCOCC[N@H+]1C[C@@H](O)C[C@H]1C(C)C ZINC000242677082 259326201 /nfs/dbraw/zinc/32/62/01/259326201.db2.gz SYFIHBZJMLYIOZ-QWRGUYRKSA-N 1 1 201.310 1.114 40 0 BDABMO C[N@@H+](CCO)Cc1ccc(Cl)nc1 ZINC000037899261 343313507 /nfs/dbraw/zinc/31/35/07/343313507.db2.gz IFPVSBHFHFSCHH-UHFFFAOYSA-N 1 1 200.669 1.159 40 0 BDABMO C[NH2+][C@H](CN)c1ccccc1C(F)(F)F ZINC000050269793 259369934 /nfs/dbraw/zinc/36/99/34/259369934.db2.gz VFTJEGSENIZJAG-SECBINFHSA-N 1 1 218.222 1.925 40 0 BDABMO CC(C)C[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339414487 343791370 /nfs/dbraw/zinc/79/13/70/343791370.db2.gz COSKYFFRQNIANL-LBPRGKRZSA-N 1 1 238.335 1.063 40 0 BDABMO CC[N@H+]1CCCC[C@@H]1c1ccc(=O)[nH]c1 ZINC000068590748 343919555 /nfs/dbraw/zinc/91/95/55/343919555.db2.gz MMRXAHLUPIUIOF-LLVKDONJSA-N 1 1 206.289 1.922 40 0 BDABMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccsc2)C1 ZINC000585107626 344134849 /nfs/dbraw/zinc/13/48/49/344134849.db2.gz ALQLHJFBHMVPPA-ONGXEEELSA-N 1 1 236.340 1.524 40 0 BDABMO Nc1[nH]nc2nc([C@H]3CCCC[NH2+]3)ccc12 ZINC000019695518 347031879 /nfs/dbraw/zinc/03/18/79/347031879.db2.gz KMKAFWCFIQMFMT-MRVPVSSYSA-N 1 1 217.276 1.355 40 0 BDABMO CC(C)C[N@H+]1CCC[C@]2(CCC(=O)N2)CC1 ZINC000096071913 344366382 /nfs/dbraw/zinc/36/63/82/344366382.db2.gz JIRWYTLNGSMKPY-ZDUSSCGKSA-N 1 1 224.348 1.777 40 0 BDABMO Cc1cc(NC(=O)C[NH+](C)C)ccc1N ZINC000008703601 346563416 /nfs/dbraw/zinc/56/34/16/346563416.db2.gz DFNPKRPSAKSDJN-UHFFFAOYSA-N 1 1 207.277 1.077 40 0 BDABMO CC[N@H+]1CCC[C@@H]1c1cccc(C(=O)NC)n1 ZINC000205675426 347453483 /nfs/dbraw/zinc/45/34/83/347453483.db2.gz DODYLWFIYADOOC-GFCCVEGCSA-N 1 1 233.315 1.598 40 0 BDABMO OC1(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)CCCCC1 ZINC000205689668 348575835 /nfs/dbraw/zinc/57/58/35/348575835.db2.gz GBJQDNYBYWBUBT-LBPRGKRZSA-N 1 1 249.358 1.894 40 0 BDABMO OC1(C[N@@H+]2CC[C@H](c3ccn[nH]3)C2)CCCCC1 ZINC000205689668 348575840 /nfs/dbraw/zinc/57/58/40/348575840.db2.gz GBJQDNYBYWBUBT-LBPRGKRZSA-N 1 1 249.358 1.894 40 0 BDABMO OC1(C[N@H+]2CC[C@H](c3ccn[nH]3)C2)CCCCC1 ZINC000205689668 348575844 /nfs/dbraw/zinc/57/58/44/348575844.db2.gz GBJQDNYBYWBUBT-LBPRGKRZSA-N 1 1 249.358 1.894 40 0 BDABMO Cn1cc[nH+]c1Nc1cc(Cl)ncn1 ZINC000038579873 348714212 /nfs/dbraw/zinc/71/42/12/348714212.db2.gz GKQJCOUEHLPJIL-UHFFFAOYSA-N 1 1 209.640 1.607 40 0 BDABMO Cc1ccc2nc(CN3CC[NH2+][C@@H](C)C3)[nH]c2c1 ZINC000022122116 350083515 /nfs/dbraw/zinc/08/35/15/350083515.db2.gz PDGUESZIZZKQRT-NSHDSACASA-N 1 1 244.342 1.665 40 0 BDABMO CCC(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005427992 350087088 /nfs/dbraw/zinc/08/70/88/350087088.db2.gz LDCQPTDRQJWLOD-VXGBXAGGSA-N 1 1 224.348 1.777 40 0 BDABMO Cc1nc([C@@H]2CCCC[NH2+]2)nc2c1CC(=O)N2C ZINC000019695375 180043594 /nfs/dbraw/zinc/04/35/94/180043594.db2.gz VJJYBJLSNBYKPT-JTQLQIEISA-N 1 1 246.314 1.119 40 0 BDABMO Cc1nc([C@@H]2CCC[N@H+]2C)cc(N(C)C)n1 ZINC000257328903 180044864 /nfs/dbraw/zinc/04/48/64/180044864.db2.gz XHNQJICVNIGWNX-NSHDSACASA-N 1 1 220.320 1.618 40 0 BDABMO Cc1nc([C@@H]2CCC[N@H+]2CC2CC2)cc(=O)[nH]1 ZINC000072361361 180045344 /nfs/dbraw/zinc/04/53/44/180045344.db2.gz YUKYOVWJQMEFAS-LBPRGKRZSA-N 1 1 233.315 1.625 40 0 BDABMO Cc1nccc([C@]2(C)CCC[N@H+](C)C2)n1 ZINC000072381263 180208695 /nfs/dbraw/zinc/20/86/95/180208695.db2.gz CDKGVDYQBFPASO-GFCCVEGCSA-N 1 1 205.305 1.768 40 0 BDABMO C[C@@]12C[N@@H+](Cc3ccccc3)C[C@H]1COC2=O ZINC000253592115 350932087 /nfs/dbraw/zinc/93/20/87/350932087.db2.gz WYYLGDWDFHKZPL-GXTWGEPZSA-N 1 1 231.295 1.682 40 0 BDABMO CC[N@H+]1CCC[C@@H](Nc2ncccc2N)C1 ZINC000049193288 355959926 /nfs/dbraw/zinc/95/99/26/355959926.db2.gz JFOUONBEBZLARB-SNVBAGLBSA-N 1 1 220.320 1.560 40 0 BDABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccco1 ZINC000072227214 259533859 /nfs/dbraw/zinc/53/38/59/259533859.db2.gz ZQPGBXZKMDIHCU-NWDGAFQWSA-N 1 1 246.241 1.834 40 0 BDABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cnc[nH]2)C1 ZINC000205682448 368356707 /nfs/dbraw/zinc/35/67/07/368356707.db2.gz JQIPIFNWRXFEID-LLVKDONJSA-N 1 1 245.330 1.821 40 0 BDABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000205682448 368356715 /nfs/dbraw/zinc/35/67/15/368356715.db2.gz JQIPIFNWRXFEID-LLVKDONJSA-N 1 1 245.330 1.821 40 0 BDABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000205682448 368356721 /nfs/dbraw/zinc/35/67/21/368356721.db2.gz JQIPIFNWRXFEID-LLVKDONJSA-N 1 1 245.330 1.821 40 0 BDABMO CC(C)(C)N1C(=O)[C@@H]([NH3+])[C@H]1c1cccc(F)c1 ZINC000256049607 370633668 /nfs/dbraw/zinc/63/36/68/370633668.db2.gz APZSWNIGUDUGQY-WDEREUQCSA-N 1 1 236.290 1.835 40 0 BDABMO CC(C)(C)N1C(=O)[C@H]([NH3+])[C@H]1c1cccc(F)c1 ZINC000256049604 370633937 /nfs/dbraw/zinc/63/39/37/370633937.db2.gz APZSWNIGUDUGQY-GHMZBOCLSA-N 1 1 236.290 1.835 40 0 BDABMO OC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000038539904 183028603 /nfs/dbraw/zinc/02/86/03/183028603.db2.gz KGADSJUJEGZYHI-UHFFFAOYSA-N 1 1 227.254 1.922 40 0 BDABMO O[C@@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000040434857 183193522 /nfs/dbraw/zinc/19/35/22/183193522.db2.gz GKWQXXMHYNKFMG-SNVBAGLBSA-N 1 1 226.707 1.692 40 0 BDABMO O[C@@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000040434857 183193525 /nfs/dbraw/zinc/19/35/25/183193525.db2.gz GKWQXXMHYNKFMG-SNVBAGLBSA-N 1 1 226.707 1.692 40 0 BDABMO c1cc([C@@H]2CC[N@H+](Cc3ccncc3)C2)n[nH]1 ZINC000072187722 183345508 /nfs/dbraw/zinc/34/55/08/183345508.db2.gz AYDGUHQZRVTPBJ-GFCCVEGCSA-N 1 1 228.299 1.794 40 0 BDABMO c1nc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)c[nH]1 ZINC000257250191 183361296 /nfs/dbraw/zinc/36/12/96/183361296.db2.gz JLLFMHABDSQNNI-LLVKDONJSA-N 1 1 243.314 1.579 40 0 BDABMO c1nc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)c[nH]1 ZINC000257250191 183361297 /nfs/dbraw/zinc/36/12/97/183361297.db2.gz JLLFMHABDSQNNI-LLVKDONJSA-N 1 1 243.314 1.579 40 0 BDABMO c1ncc(C[N@@H+]2CCC[C@@H](c3ccncn3)C2)[nH]1 ZINC000257250191 183361298 /nfs/dbraw/zinc/36/12/98/183361298.db2.gz JLLFMHABDSQNNI-LLVKDONJSA-N 1 1 243.314 1.579 40 0 BDABMO c1ncc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)[nH]1 ZINC000257250191 183361299 /nfs/dbraw/zinc/36/12/99/183361299.db2.gz JLLFMHABDSQNNI-LLVKDONJSA-N 1 1 243.314 1.579 40 0 BDABMO OCC[NH2+]C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000034264454 383866326 /nfs/dbraw/zinc/86/63/26/383866326.db2.gz OLMHHSBJCGAUHX-AWEZNQCLSA-N 1 1 234.343 1.090 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000067285209 383918979 /nfs/dbraw/zinc/91/89/79/383918979.db2.gz RBKLATRCGUJVST-LLVKDONJSA-N 1 1 224.348 1.777 40 0 BDABMO [NH3+]Cc1nc(-c2ccc(OC(F)F)cc2)no1 ZINC000089262317 383954620 /nfs/dbraw/zinc/95/46/20/383954620.db2.gz AWXAIKKXOLSVEJ-UHFFFAOYSA-N 1 1 241.197 1.797 40 0 BDABMO Cc1nnc2sc(C3=CC[N@H+](C)CC3)nn12 ZINC000073636215 384029441 /nfs/dbraw/zinc/02/94/41/384029441.db2.gz NNYPLIGXYQWYKO-UHFFFAOYSA-N 1 1 235.316 1.213 40 0 BDABMO Cc1nnc2sc(C3=CC[N@@H+](C)CC3)nn12 ZINC000073636215 384029449 /nfs/dbraw/zinc/02/94/49/384029449.db2.gz NNYPLIGXYQWYKO-UHFFFAOYSA-N 1 1 235.316 1.213 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1O ZINC000072187437 384198470 /nfs/dbraw/zinc/19/84/70/384198470.db2.gz LNTDJAQQPGLCGB-STQMWFEESA-N 1 1 249.310 1.042 40 0 BDABMO Nc1nccc([C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000072356831 384211887 /nfs/dbraw/zinc/21/18/87/384211887.db2.gz AOEBSJKRMYLQBK-JTQLQIEISA-N 1 1 232.331 1.791 40 0 BDABMO Nc1nccc([C@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000072357346 384214698 /nfs/dbraw/zinc/21/46/98/384214698.db2.gz FQHWZKHGFMEONY-GFCCVEGCSA-N 1 1 248.330 1.375 40 0 BDABMO Nc1ccc(N[C@H]2CC[C@H](O)CC2)[nH+]c1 ZINC000100809995 384344451 /nfs/dbraw/zinc/34/44/51/384344451.db2.gz PSJLVIOGQMEMPY-AOOOYVTPSA-N 1 1 207.277 1.379 40 0 BDABMO Cc1nnc([C@@H]2C[C@H]3C[N@H+](C4CCC4)C[C@H]3O2)[nH]1 ZINC000096045888 384426756 /nfs/dbraw/zinc/42/67/56/384426756.db2.gz CHGJGOSNMRBHIS-ZMLRMANQSA-N 1 1 248.330 1.427 40 0 BDABMO Cc1nc([C@@H]2C[C@H]3C[N@@H+](C4CCC4)C[C@H]3O2)n[nH]1 ZINC000096045888 384426759 /nfs/dbraw/zinc/42/67/59/384426759.db2.gz CHGJGOSNMRBHIS-ZMLRMANQSA-N 1 1 248.330 1.427 40 0 BDABMO Cc1nc([C@@H]2C[C@H]3C[N@H+](C4CCC4)C[C@H]3O2)n[nH]1 ZINC000096045888 384426764 /nfs/dbraw/zinc/42/67/64/384426764.db2.gz CHGJGOSNMRBHIS-ZMLRMANQSA-N 1 1 248.330 1.427 40 0 BDABMO O=C1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)N1CC1CC1 ZINC000096056557 384429921 /nfs/dbraw/zinc/42/99/21/384429921.db2.gz RLRPIOWBKKWZHG-ZIAGYGMSSA-N 1 1 248.370 1.872 40 0 BDABMO CCOC[C@@H]1C[N@@H+](CC2CC2)Cc2nn(C)cc21 ZINC000096060404 384432129 /nfs/dbraw/zinc/43/21/29/384432129.db2.gz QUOLRXDEPDHHTM-LBPRGKRZSA-N 1 1 249.358 1.766 40 0 BDABMO CCOC[C@H]1C[N@@H+](CC2CC2)Cc2nn(C)cc21 ZINC000096060405 384432294 /nfs/dbraw/zinc/43/22/94/384432294.db2.gz QUOLRXDEPDHHTM-GFCCVEGCSA-N 1 1 249.358 1.766 40 0 BDABMO C[C@@H]1[NH2+]CCn2c(COc3cccnc3)cnc21 ZINC000096207050 384442559 /nfs/dbraw/zinc/44/25/59/384442559.db2.gz WSVRXJRDXQQRHI-JTQLQIEISA-N 1 1 244.298 1.521 40 0 BDABMO CC(C)[N@H+]1CCCC[C@@H]1c1cc(CO)n[nH]1 ZINC000019695397 384534764 /nfs/dbraw/zinc/53/47/64/384534764.db2.gz KYQGWBLFAODZNN-GFCCVEGCSA-N 1 1 223.320 1.837 40 0 BDABMO CN(Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082306433 384662213 /nfs/dbraw/zinc/66/22/13/384662213.db2.gz WIVOJBVVEWEYMI-CQSZACIVSA-N 1 1 246.354 1.987 40 0 BDABMO Cn1nc(C[N@@H+](C)C2CCCCC2)cc1N ZINC000408715720 384701621 /nfs/dbraw/zinc/70/16/21/384701621.db2.gz CXBBECWXHOTKFB-UHFFFAOYSA-N 1 1 222.336 1.767 40 0 BDABMO CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccc(N)cc1 ZINC000242548502 384756643 /nfs/dbraw/zinc/75/66/43/384756643.db2.gz LOROOKGTJUHXJH-STQMWFEESA-N 1 1 247.342 1.002 40 0 BDABMO O=C1NCC[C@@]12CCC[N@@H+](Cc1ccco1)CC2 ZINC000108528477 385049558 /nfs/dbraw/zinc/04/95/58/385049558.db2.gz SURKEQRZEKPVJO-CQSZACIVSA-N 1 1 248.326 1.772 40 0 BDABMO Cc1cc(N2CCN(C)CC2)ncc1[C@@H](C)[NH3+] ZINC000072223607 385116043 /nfs/dbraw/zinc/11/60/43/385116043.db2.gz BDVJQTINQLSCCO-LLVKDONJSA-N 1 1 234.347 1.162 40 0 BDABMO N[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1CO ZINC000096523469 385269473 /nfs/dbraw/zinc/26/94/73/385269473.db2.gz FBGLDEKTMMVMJS-UONOGXRCSA-N 1 1 234.343 1.013 40 0 BDABMO N[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1CO ZINC000096523469 385269477 /nfs/dbraw/zinc/26/94/77/385269477.db2.gz FBGLDEKTMMVMJS-UONOGXRCSA-N 1 1 234.343 1.013 40 0 BDABMO COC(=O)[C@@H]([NH3+])C[C@H]1CNc2ccccc21 ZINC000064219459 385619738 /nfs/dbraw/zinc/61/97/38/385619738.db2.gz KXWLCQZBNINEFO-WPRPVWTQSA-N 1 1 220.272 1.086 40 0 BDABMO Cc1nc(C[N@H+]2C[C@@H]3C[C@@H](O)C[C@@H]3C2)cs1 ZINC000257217618 385753436 /nfs/dbraw/zinc/75/34/36/385753436.db2.gz CZTJFADRJPYSST-IAZYJMLFSA-N 1 1 238.356 1.654 40 0 BDABMO C[C@]12CC[N@@H+](CC3CCC3)[C@H]1CCC(=O)N2 ZINC000257269736 385757776 /nfs/dbraw/zinc/75/77/76/385757776.db2.gz MREGLHYZFLQYQY-AAEUAGOBSA-N 1 1 222.332 1.530 40 0 BDABMO Fc1ccc2c(c1)[C@]1(CCO2)COCC[NH2+]1 ZINC000306145781 385993721 /nfs/dbraw/zinc/99/37/21/385993721.db2.gz PVXLTOKPMGMARN-LBPRGKRZSA-N 1 1 223.247 1.423 40 0 BDABMO COCC[C@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000247843015 386734552 /nfs/dbraw/zinc/73/45/52/386734552.db2.gz LLFQKDHPTJLROL-ZDUSSCGKSA-N 1 1 235.331 1.829 40 0 BDABMO CO[C@@H]1Cn2nccc2C[N@@H+](CC2CCCC2)C1 ZINC000247904006 386735007 /nfs/dbraw/zinc/73/50/07/386735007.db2.gz WOHINVVYMXZEIL-AWEZNQCLSA-N 1 1 249.358 1.904 40 0 BDABMO [NH3+]Cc1nc([C@@H]2CCCSCC2)no1 ZINC000575414944 387022636 /nfs/dbraw/zinc/02/26/36/387022636.db2.gz AKLAAQSOLSWOPK-SSDOTTSWSA-N 1 1 213.306 1.529 40 0 BDABMO [NH3+]Cc1nc([C@H]2CCCSCC2)no1 ZINC000575414947 387023461 /nfs/dbraw/zinc/02/34/61/387023461.db2.gz AKLAAQSOLSWOPK-ZETCQYMHSA-N 1 1 213.306 1.529 40 0 BDABMO Cc1cnn(C)c1C[NH2+]Cc1ccco1 ZINC000256052322 387860712 /nfs/dbraw/zinc/86/07/12/387860712.db2.gz MVXQAGRIJYEWKK-UHFFFAOYSA-N 1 1 205.261 1.611 40 0 BDABMO COc1cccc([C@@H]2C[N@@H+](C)C[C@H]2CO)c1 ZINC000242620197 388399976 /nfs/dbraw/zinc/39/99/76/388399976.db2.gz PXVHDGQRKTXDLF-AAEUAGOBSA-N 1 1 221.300 1.333 40 0 BDABMO Cc1ccc(O[C@@H]2C[C@H]3CNCC[N@@H+]3C2)cc1 ZINC000107243944 388615952 /nfs/dbraw/zinc/61/59/52/388615952.db2.gz HBGDTJGRCMSULY-GXTWGEPZSA-N 1 1 232.327 1.420 40 0 BDABMO Cc1ccc(O[C@@H]2C[C@H]3CNCC[N@H+]3C2)cc1 ZINC000107243944 388615953 /nfs/dbraw/zinc/61/59/53/388615953.db2.gz HBGDTJGRCMSULY-GXTWGEPZSA-N 1 1 232.327 1.420 40 0 BDABMO CCc1ccc2[nH+]cc3c(c2c1)NCCNC3=O ZINC000064873732 388671468 /nfs/dbraw/zinc/67/14/68/388671468.db2.gz FNRNPHZROQXFTO-UHFFFAOYSA-N 1 1 241.294 1.953 40 0 BDABMO Cn1cnc([C@H]([NH3+])c2ccc(Cl)cc2)n1 ZINC000095534062 388776766 /nfs/dbraw/zinc/77/67/66/388776766.db2.gz BBTLNUSOCGBFAQ-SECBINFHSA-N 1 1 222.679 1.517 40 0 BDABMO COc1ccc([C@H]([NH3+])c2nc(C)n(C)n2)cc1 ZINC000095533781 388777553 /nfs/dbraw/zinc/77/75/53/388777553.db2.gz ITDNAZVVBBOUGZ-NSHDSACASA-N 1 1 232.287 1.180 40 0 BDABMO C[N@H+]1CCC[C@@]2(CN(c3ccccc3)CCO2)C1 ZINC000063527632 132241644 /nfs/dbraw/zinc/24/16/44/132241644.db2.gz NUEAHVRCZBMZFA-HNNXBMFYSA-N 1 1 246.354 1.988 40 0 BDABMO Cc1cc[nH+]c(N2CCC[C@H](CO)C2)c1 ZINC000040434871 132347573 /nfs/dbraw/zinc/34/75/73/132347573.db2.gz NFEBSMSULMRMFL-NSHDSACASA-N 1 1 206.289 1.599 40 0 BDABMO [NH3+]CC(=O)c1cc(F)ccc1C(F)(F)F ZINC000169801819 397816096 /nfs/dbraw/zinc/81/60/96/397816096.db2.gz ZVPVTIZPGNGTJY-UHFFFAOYSA-N 1 1 221.153 1.986 40 0 BDABMO CC1CCC(O)(C[N@@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000096511431 168167075 /nfs/dbraw/zinc/16/70/75/168167075.db2.gz VSIGLIFPYRJLME-OTTFEQOBSA-N 1 1 226.364 1.351 40 0 BDABMO CC1CCC(O)(C[N@H+]2CCC[C@@H]([NH3+])C2)CC1 ZINC000096511431 168167077 /nfs/dbraw/zinc/16/70/77/168167077.db2.gz VSIGLIFPYRJLME-OTTFEQOBSA-N 1 1 226.364 1.351 40 0 BDABMO CC[C@@H]1CCCC[N@H+]1Cc1cc(N)nn1C ZINC000408716426 411882207 /nfs/dbraw/zinc/88/22/07/411882207.db2.gz MVDZBJBKZRVKRG-SNVBAGLBSA-N 1 1 222.336 1.767 40 0 BDABMO Cn1nc(N)cc1C[N@@H+]1CCC[C@H]2C=CC=C[C@@H]21 ZINC000408716208 411954645 /nfs/dbraw/zinc/95/46/45/411954645.db2.gz JZTVLSVPTFLIMS-YPMHNXCESA-N 1 1 244.342 1.709 40 0 BDABMO Cn1nc(N)cc1C[N@H+]1CCC[C@H]2C=CC=C[C@@H]21 ZINC000408716208 411954648 /nfs/dbraw/zinc/95/46/48/411954648.db2.gz JZTVLSVPTFLIMS-YPMHNXCESA-N 1 1 244.342 1.709 40 0 BDABMO Cn1nc(N)cc1C[N@@H+]1CCC[C@H]2C=CC=C[C@H]21 ZINC000408716206 411954818 /nfs/dbraw/zinc/95/48/18/411954818.db2.gz JZTVLSVPTFLIMS-DGCLKSJQSA-N 1 1 244.342 1.709 40 0 BDABMO Cn1nc(N)cc1C[N@H+]1CCC[C@H]2C=CC=C[C@H]21 ZINC000408716206 411954823 /nfs/dbraw/zinc/95/48/23/411954823.db2.gz JZTVLSVPTFLIMS-DGCLKSJQSA-N 1 1 244.342 1.709 40 0 BDABMO CCc1nnc([C@H]([NH3+])c2ccc(F)cc2)[nH]1 ZINC000095533322 172007607 /nfs/dbraw/zinc/00/76/07/172007607.db2.gz IVLZPRQATWBKRF-SNVBAGLBSA-N 1 1 220.251 1.554 40 0 BDABMO C[N@H+]1CCC[C@@]12CCN(c1cccnc1)C2 ZINC000013975447 173039858 /nfs/dbraw/zinc/03/98/58/173039858.db2.gz WIHVDFXARURFKF-ZDUSSCGKSA-N 1 1 217.316 1.756 40 0 BDABMO C[N@H+]1CCC[C@H]1c1nccnc1-n1ccnc1 ZINC000072382196 173057882 /nfs/dbraw/zinc/05/78/82/173057882.db2.gz JAOVEODSSMCAFP-JTQLQIEISA-N 1 1 229.287 1.429 40 0 BDABMO C[N@H+]1CCC[C@](O)(C(=O)c2ccccc2)C1 ZINC000002028558 173060983 /nfs/dbraw/zinc/06/09/83/173060983.db2.gz HRNDMRGKNJWGIL-CYBMUJFWSA-N 1 1 219.284 1.326 40 0 BDABMO C[N@H+]1CC[C@@H](c2cc3cccnc3[nH]2)C1 ZINC000072187537 173128341 /nfs/dbraw/zinc/12/83/41/173128341.db2.gz RBQVWLHHSWOAKU-SNVBAGLBSA-N 1 1 201.273 1.934 40 0 BDABMO CNC(=O)C[N@@H+]1CCC[C@@H]1c1ccnc(NC)c1 ZINC000257221051 173273973 /nfs/dbraw/zinc/27/39/73/173273973.db2.gz DNHRHCZRUSNEPU-LLVKDONJSA-N 1 1 248.330 1.006 40 0 BDABMO CNC(=O)C[N@H+]1CCC[C@@H]1c1ccnc(NC)c1 ZINC000257221051 173273974 /nfs/dbraw/zinc/27/39/74/173273974.db2.gz DNHRHCZRUSNEPU-LLVKDONJSA-N 1 1 248.330 1.006 40 0 BDABMO COCC[N@@H+]1CCC[C@H]1c1nc(C)c[nH]1 ZINC000257264752 174307669 /nfs/dbraw/zinc/30/76/69/174307669.db2.gz LVXDBRAOKLPKMX-JTQLQIEISA-N 1 1 209.293 1.501 40 0 BDABMO COCC[N@H+]1CCC[C@H]1c1nc(C)c[nH]1 ZINC000257264752 174307671 /nfs/dbraw/zinc/30/76/71/174307671.db2.gz LVXDBRAOKLPKMX-JTQLQIEISA-N 1 1 209.293 1.501 40 0 BDABMO COc1ccc([C@@H]2CN(C(C)=O)CC[NH2+]2)cc1 ZINC000072344369 175183843 /nfs/dbraw/zinc/18/38/43/175183843.db2.gz LGVUYQRZZSWTHM-ZDUSSCGKSA-N 1 1 234.299 1.188 40 0 BDABMO COc1ccccc1[C@@H]1C[N@@H+](C)C[C@@H]1CO ZINC000217673467 175348106 /nfs/dbraw/zinc/34/81/06/175348106.db2.gz QUNRHFORAMKQMF-ZYHUDNBSSA-N 1 1 221.300 1.333 40 0 BDABMO CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(F)cc1 ZINC000017126763 534962737 /nfs/dbraw/zinc/96/27/37/534962737.db2.gz IFLSKJWEERCMHE-UHFFFAOYSA-N 1 1 235.266 1.011 40 0 BDABMO CCCC[C@H]1C[C@@H](O)C[N@H+]1CCOC ZINC000217881683 584911536 /nfs/dbraw/zinc/91/15/36/584911536.db2.gz BXTVTPFYUDYCPX-WDEREUQCSA-N 1 1 201.310 1.258 40 0 BDABMO Cc1ccc2nc(CO[C@H]3C[NH2+]C[C@H]3F)[nH]c2c1 ZINC000096111978 644796571 /nfs/dbraw/zinc/79/65/71/644796571.db2.gz YXLVMEZMTMEQSK-SKDRFNHKSA-N 1 1 249.289 1.698 40 0 biogenic,in-vitro BDABMO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC1C ZINC001560406203 991469572 /nfs/dbraw/zinc/46/95/72/991469572.db2.gz KZNXGKPJMVBMTH-CYBMUJFWSA-N 1 1 232.303 1.886 40 0 BDABMO CC[N@H+]1CCC[C@@H](c2cccc(C(=O)NC)n2)C1 ZINC000072360820 343979493 /nfs/dbraw/zinc/97/94/93/343979493.db2.gz DVJSQIOSFNIAND-LLVKDONJSA-N 1 1 247.342 1.641 40 0 BDABMO CC(C)C[N@H+]1CCC[C@H]1c1cccc(C(N)=O)n1 ZINC000072379393 343979927 /nfs/dbraw/zinc/97/99/27/343979927.db2.gz LMGQXJFAAKNEQI-ZDUSSCGKSA-N 1 1 247.342 1.973 40 0 BDABMO Cc1cc(=O)cc([C@@H]2CCC[N@H+](C)C2)[nH]1 ZINC000072381209 178199617 /nfs/dbraw/zinc/19/96/17/178199617.db2.gz DXCJWFDNSCCFCK-SNVBAGLBSA-N 1 1 206.289 1.905 40 0 BDABMO Cc1ccc(-c2n[nH]c([C@H](C)[NH3+])n2)cc1 ZINC000061843921 178331399 /nfs/dbraw/zinc/33/13/99/178331399.db2.gz AVMRBAQMKINRLM-QMMMGPOBSA-N 1 1 202.261 1.800 40 0 BDABMO [NH3+][C@H](c1noc(C2CC2)n1)[C@H]1CCCO1 ZINC000070453716 259313791 /nfs/dbraw/zinc/31/37/91/259313791.db2.gz ZOQJUIAQKXXWOE-SFYZADRCSA-N 1 1 209.249 1.126 40 0 BDABMO Cn1cc(C[NH2+]Cc2cccc(F)c2F)cn1 ZINC000012395221 342851081 /nfs/dbraw/zinc/85/10/81/342851081.db2.gz ARIJVNFCLVRMEP-UHFFFAOYSA-N 1 1 237.253 1.988 40 0 BDABMO Cc1ccc(CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000025778582 343095572 /nfs/dbraw/zinc/09/55/72/343095572.db2.gz WPPWBRNSVHOYRO-UHFFFAOYSA-N 1 1 246.354 1.702 40 0 BDABMO COC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccc(OC)cc12 ZINC000027851951 343124960 /nfs/dbraw/zinc/12/49/60/343124960.db2.gz ZLVRWEGIPKKGJL-NSHDSACASA-N 1 1 248.282 1.219 40 0 BDABMO O=C(C[N@H+]1CCC[C@@H](CO)C1)c1ccccc1 ZINC000050132005 343782886 /nfs/dbraw/zinc/78/28/86/343782886.db2.gz FLIVNDURKKUSRX-GFCCVEGCSA-N 1 1 233.311 1.574 40 0 BDABMO O=C(C[N@@H+]1CCC[C@@H](CO)C1)c1ccccc1 ZINC000050132005 343782888 /nfs/dbraw/zinc/78/28/88/343782888.db2.gz FLIVNDURKKUSRX-GFCCVEGCSA-N 1 1 233.311 1.574 40 0 BDABMO COCc1nnc2n1CC[N@H+](C1CCC1)[C@H]2C ZINC000585096759 344131451 /nfs/dbraw/zinc/13/14/51/344131451.db2.gz CHHKTUAPDDCYMU-VIFPVBQESA-N 1 1 236.319 1.354 40 0 BDABMO COCc1nnc2n1CC[N@@H+](C1CCC1)[C@H]2C ZINC000585096759 344131453 /nfs/dbraw/zinc/13/14/53/344131453.db2.gz CHHKTUAPDDCYMU-VIFPVBQESA-N 1 1 236.319 1.354 40 0 BDABMO CC(C)C[N@H+]1CC[C@@H]2[C@@H]1CCN2c1ncccn1 ZINC000096055781 344365945 /nfs/dbraw/zinc/36/59/45/344365945.db2.gz GXWIMAJTECTLMP-QWHCGFSZSA-N 1 1 246.358 1.786 40 0 BDABMO Cc1cc([C@@H]2CCCC[N@@H+]2C)c[nH]c1=O ZINC000072217971 344513980 /nfs/dbraw/zinc/51/39/80/344513980.db2.gz CEHJVFUALXIYEK-NSHDSACASA-N 1 1 206.289 1.840 40 0 BDABMO C[C@H](O)C[N@H+]1CCCC[C@@H]1c1cccnc1 ZINC000000035457 363043484 /nfs/dbraw/zinc/04/34/84/363043484.db2.gz VAZXXAVHCHRHJJ-WCQYABFASA-N 1 1 220.316 1.989 40 0 biogenic,in-vitro BDABMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000039199443 181271159 /nfs/dbraw/zinc/27/11/59/181271159.db2.gz SOZQAONWQPHCPN-NSHDSACASA-N 1 1 204.273 1.136 40 0 BDABMO [NH3+][C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccco1 ZINC000072227215 259533978 /nfs/dbraw/zinc/53/39/78/259533978.db2.gz ZQPGBXZKMDIHCU-RYUDHWBXSA-N 1 1 246.241 1.834 40 0 BDABMO COC(=O)[C@]1([NH3+])CC[C@@H]1Cc1ccccc1 ZINC000242547815 372206143 /nfs/dbraw/zinc/20/61/43/372206143.db2.gz KTQNJNMKRQWVME-YPMHNXCESA-N 1 1 219.284 1.510 40 0 BDABMO OCC[N@@H+](Cc1cccc2c1OCCO2)C1CC1 ZINC000058907769 183071087 /nfs/dbraw/zinc/07/10/87/183071087.db2.gz HUZPOJPWXPQUNX-UHFFFAOYSA-N 1 1 249.310 1.415 40 0 BDABMO OCCOC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079390545 183087027 /nfs/dbraw/zinc/08/70/27/183087027.db2.gz QRSIIMZBNQMNLA-HNNXBMFYSA-N 1 1 249.354 1.908 40 0 BDABMO O[C@H]1CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000040434856 183234980 /nfs/dbraw/zinc/23/49/80/183234980.db2.gz GKWQXXMHYNKFMG-JTQLQIEISA-N 1 1 226.707 1.692 40 0 BDABMO O[C@H]1CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000040434856 183234983 /nfs/dbraw/zinc/23/49/83/183234983.db2.gz GKWQXXMHYNKFMG-JTQLQIEISA-N 1 1 226.707 1.692 40 0 BDABMO c1c[nH]c(-c2nc([C@H]3CCCC[NH2+]3)no2)c1 ZINC000096516148 183323295 /nfs/dbraw/zinc/32/32/95/183323295.db2.gz LIMJFDUFOOWTDB-MRVPVSSYSA-N 1 1 218.260 1.879 40 0 BDABMO CCCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)ccn1 ZINC000257323423 169250895 /nfs/dbraw/zinc/25/08/95/169250895.db2.gz WKCBBIIVWBMWEH-ZDUSSCGKSA-N 1 1 247.342 1.988 40 0 BDABMO CS(=O)(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H](C2)C1 ZINC000001662155 383918696 /nfs/dbraw/zinc/91/86/96/383918696.db2.gz QDXYIESXVXMSDX-PHIMTYICSA-N 1 1 231.361 1.153 40 0 BDABMO [NH3+]Cc1nc(-c2cccc(OC(F)F)c2)no1 ZINC000089262315 383954517 /nfs/dbraw/zinc/95/45/17/383954517.db2.gz BFTPLZFDOCKPNG-UHFFFAOYSA-N 1 1 241.197 1.797 40 0 BDABMO CC(C)[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000072356943 384013959 /nfs/dbraw/zinc/01/39/59/384013959.db2.gz KEIRCUXDMDLLRR-JTQLQIEISA-N 1 1 220.320 1.647 40 0 BDABMO C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCO)C1 ZINC000079414089 384136100 /nfs/dbraw/zinc/13/61/00/384136100.db2.gz HIJOQLFZFMQBGJ-AWEZNQCLSA-N 1 1 234.343 1.185 40 0 BDABMO CN(Cc1ccccc1)[C@H]1CC[N@H+](CCO)C1 ZINC000079414089 384136104 /nfs/dbraw/zinc/13/61/04/384136104.db2.gz HIJOQLFZFMQBGJ-AWEZNQCLSA-N 1 1 234.343 1.185 40 0 BDABMO CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCO)C1 ZINC000079414089 384136107 /nfs/dbraw/zinc/13/61/07/384136107.db2.gz HIJOQLFZFMQBGJ-AWEZNQCLSA-N 1 1 234.343 1.185 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000072228280 384202276 /nfs/dbraw/zinc/20/22/76/384202276.db2.gz QDRNLGISBRNDKC-RKDXNWHRSA-N 1 1 210.664 1.180 40 0 BDABMO Cc1cc(C)nc([C@H]2CCC[N@H+](C)C2)n1 ZINC000072381297 384217149 /nfs/dbraw/zinc/21/71/49/384217149.db2.gz VNUFGHQCKGEVKW-NSHDSACASA-N 1 1 205.305 1.903 40 0 BDABMO CN(C)c1cc(C[C@@H]2CCC[N@@H+](C)C2)ncn1 ZINC000072381289 384218062 /nfs/dbraw/zinc/21/80/62/384218062.db2.gz BGOROEKWRGCGHK-NSHDSACASA-N 1 1 234.347 1.427 40 0 BDABMO C=Cn1cc(C[N@H+]2CCC[C@@H](O)C2)c(C)n1 ZINC000072397823 384221631 /nfs/dbraw/zinc/22/16/31/384221631.db2.gz NNNUVSJZUCXIRM-GFCCVEGCSA-N 1 1 221.304 1.249 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1OC ZINC000199307234 384241842 /nfs/dbraw/zinc/24/18/42/384241842.db2.gz WDEWEEAIKZZIRC-NWDGAFQWSA-N 1 1 249.310 1.513 40 0 BDABMO CO[C@H]1C[N@@H+](CC2CC2)[C@@H]2CCCO[C@@H]21 ZINC000096057422 384432397 /nfs/dbraw/zinc/43/23/97/384432397.db2.gz MDRIZROPEHXGPW-WOPDTQHZSA-N 1 1 211.305 1.275 40 0 BDABMO CC[N@H+]1CCC[C@]12CCCN(c1ncccn1)C2 ZINC000096203215 384443502 /nfs/dbraw/zinc/44/35/02/384443502.db2.gz RKKWESKZFHITEB-AWEZNQCLSA-N 1 1 246.358 1.931 40 0 BDABMO [NH3+]CC(=O)c1cccc(OCC(F)(F)F)c1 ZINC000040544272 384589413 /nfs/dbraw/zinc/58/94/13/384589413.db2.gz MJSYYSQUORVNNP-UHFFFAOYSA-N 1 1 233.189 1.769 40 0 BDABMO CCCCNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932136 384759741 /nfs/dbraw/zinc/75/97/41/384759741.db2.gz RYIQOSVQISSMEY-NSHDSACASA-N 1 1 225.336 1.276 40 0 BDABMO Cc1ccn([C@@H](C)[C@H]2CCC[N@@H+]2CCN)n1 ZINC000022763124 384772461 /nfs/dbraw/zinc/77/24/61/384772461.db2.gz TZNNEOLHPHZQRJ-NWDGAFQWSA-N 1 1 222.336 1.176 40 0 BDABMO Cc1ccn([C@@H](C)[C@H]2CCC[N@H+]2CCN)n1 ZINC000022763124 384772469 /nfs/dbraw/zinc/77/24/69/384772469.db2.gz TZNNEOLHPHZQRJ-NWDGAFQWSA-N 1 1 222.336 1.176 40 0 BDABMO Cn1cncc1C[N@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000072187628 385042855 /nfs/dbraw/zinc/04/28/55/385042855.db2.gz XAMOEMXCZBBQDH-JTQLQIEISA-N 1 1 231.303 1.133 40 0 BDABMO Cc1nc(N2CCN(C)CC2)ccc1[C@H](C)[NH3+] ZINC000072224653 385118763 /nfs/dbraw/zinc/11/87/63/385118763.db2.gz RBXHIDKSPWAVQX-JTQLQIEISA-N 1 1 234.347 1.162 40 0 BDABMO Cc1ccc(C[N@H+]2CC[C@H](O)C2)c(C)c1 ZINC000096311759 385314165 /nfs/dbraw/zinc/31/41/65/385314165.db2.gz NDTDRLYBIWPXLW-ZDUSSCGKSA-N 1 1 205.301 1.870 40 0 BDABMO N[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1CO ZINC000096523470 385269042 /nfs/dbraw/zinc/26/90/42/385269042.db2.gz FBGLDEKTMMVMJS-ZIAGYGMSSA-N 1 1 234.343 1.013 40 0 BDABMO N[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1CO ZINC000096523470 385269049 /nfs/dbraw/zinc/26/90/49/385269049.db2.gz FBGLDEKTMMVMJS-ZIAGYGMSSA-N 1 1 234.343 1.013 40 0 BDABMO CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CO1 ZINC000095097820 385454598 /nfs/dbraw/zinc/45/45/98/385454598.db2.gz SESQQHGOEZIHFX-NEPJUHHUSA-N 1 1 240.347 1.108 40 0 BDABMO Cn1ccc(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)n1 ZINC000257303012 385761070 /nfs/dbraw/zinc/76/10/70/385761070.db2.gz SFKOTNFEHGORJU-SNVBAGLBSA-N 1 1 231.303 1.133 40 0 BDABMO Cn1ccc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000257286348 385761283 /nfs/dbraw/zinc/76/12/83/385761283.db2.gz PLFSUYSSXDAKNT-LLVKDONJSA-N 1 1 245.330 1.523 40 0 BDABMO Cn1ccc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)n1 ZINC000257286348 385761289 /nfs/dbraw/zinc/76/12/89/385761289.db2.gz PLFSUYSSXDAKNT-LLVKDONJSA-N 1 1 245.330 1.523 40 0 BDABMO CC(C)N1CCOC[C@]2(CCC[NH2+]C2)C1 ZINC000306136208 385991512 /nfs/dbraw/zinc/99/15/12/385991512.db2.gz PMQYJEUFNLHXIQ-LBPRGKRZSA-N 1 1 212.337 1.097 40 0 BDABMO C[C@@H]1[NH2+]CCn2c(COCC3CC3)cnc21 ZINC000306144433 385993249 /nfs/dbraw/zinc/99/32/49/385993249.db2.gz ZEVVFQOMNVVKBB-VIFPVBQESA-N 1 1 221.304 1.474 40 0 BDABMO CO[C@@H]1Cn2cccc2C[N@H+](C(C)C)C1 ZINC000248031526 386741004 /nfs/dbraw/zinc/74/10/04/386741004.db2.gz XQZXSUKWUNYVTD-GFCCVEGCSA-N 1 1 208.305 1.727 40 0 BDABMO C[N@@H+]1CCC[C@H]1[C@@H]1NCCc2ccccc21 ZINC000026459747 387376200 /nfs/dbraw/zinc/37/62/00/387376200.db2.gz DRIGFTUOAYXPIK-UONOGXRCSA-N 1 1 216.328 1.968 40 0 BDABMO C[N@H+]1CCC[C@H]1[C@@H]1NCCc2ccccc21 ZINC000026459747 387376204 /nfs/dbraw/zinc/37/62/04/387376204.db2.gz DRIGFTUOAYXPIK-UONOGXRCSA-N 1 1 216.328 1.968 40 0 BDABMO Cc1nnc([C@H]2CC[N@@H+](Cc3ccco3)C2)o1 ZINC000049169199 387420664 /nfs/dbraw/zinc/42/06/64/387420664.db2.gz WZOIPBXAKGOYRT-JTQLQIEISA-N 1 1 233.271 1.961 40 0 biogenic,in-vitro BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1cccs1 ZINC000242575126 387675046 /nfs/dbraw/zinc/67/50/46/387675046.db2.gz NSVKEPSAPPWVRX-BDAKNGLRSA-N 1 1 225.313 1.566 40 0 BDABMO c1cc2cc(N3CC[NH2+]CC3)ccc2cn1 ZINC000026895988 387801998 /nfs/dbraw/zinc/80/19/98/387801998.db2.gz YRAWOBIYPTYSJG-UHFFFAOYSA-N 1 1 213.284 1.644 40 0 in-vitro BDABMO CC(C)n1nccc1C[NH2+]Cc1cnn(C)c1 ZINC000256053526 387862325 /nfs/dbraw/zinc/86/23/25/387862325.db2.gz RUGFSHHRRKZNGQ-UHFFFAOYSA-N 1 1 233.319 1.487 40 0 BDABMO CCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000038538721 388405247 /nfs/dbraw/zinc/40/52/47/388405247.db2.gz LZWZFWYFQFLVAX-ZDUSSCGKSA-N 1 1 205.301 1.816 40 0 BDABMO CCC[C@H]1C[C@@H](O)C[N@H+]1CCOCC ZINC000217877370 388382515 /nfs/dbraw/zinc/38/25/15/388382515.db2.gz GPEHGFXDSBXEBE-WDEREUQCSA-N 1 1 201.310 1.258 40 0 BDABMO CCOCC[N@H+]1C[C@H](O)C[C@@H]1CC(C)C ZINC000217886439 388383020 /nfs/dbraw/zinc/38/30/20/388383020.db2.gz CKPGDQNLDMXXFP-NWDGAFQWSA-N 1 1 215.337 1.504 40 0 BDABMO [NH3+]Cc1nc(C2=Cc3ccccc3OC2)no1 ZINC000062716581 388655142 /nfs/dbraw/zinc/65/51/42/388655142.db2.gz WUWLTKDQNNCZBV-UHFFFAOYSA-N 1 1 229.239 1.461 40 0 BDABMO Cc1ccc([C@H]([NH3+])c2ncn(C)n2)cc1 ZINC000095534204 388777197 /nfs/dbraw/zinc/77/71/97/388777197.db2.gz ATEDORZDKYIUEI-JTQLQIEISA-N 1 1 202.261 1.172 40 0 BDABMO C[N@H+]1CCC[C@H]1c1cccc(N2CCOCC2)n1 ZINC000072386615 132397209 /nfs/dbraw/zinc/39/72/09/132397209.db2.gz YXYKJCGTTODPQW-ZDUSSCGKSA-N 1 1 247.342 1.685 40 0 BDABMO CC(C)(C)N1C(=O)[C@H]([NH3+])[C@@H]1c1ccccc1 ZINC000196566624 397911181 /nfs/dbraw/zinc/91/11/81/397911181.db2.gz QCBBUJYRYTXIOP-MNOVXSKESA-N 1 1 218.300 1.696 40 0 BDABMO CC(C)[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067800914 167025043 /nfs/dbraw/zinc/02/50/43/167025043.db2.gz ZAKSXYZRRWKMGM-JTQLQIEISA-N 1 1 228.336 1.994 40 0 BDABMO CC(C)OC[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000026466105 167269179 /nfs/dbraw/zinc/26/91/79/167269179.db2.gz UNQYRDSDDCNSAO-FRRDWIJNSA-N 1 1 229.364 1.750 40 0 BDABMO CC1=CC[C@H]2C[N@H+](CCN(C)C)C[C@@H]2C1 ZINC000022580376 168121870 /nfs/dbraw/zinc/12/18/70/168121870.db2.gz WVYNZNQOWJKLQW-STQMWFEESA-N 1 1 208.349 1.836 40 0 BDABMO CC[N@@H+]1CCO[C@](C)(c2n[nH]cc2C)C1 ZINC000257288015 170006509 /nfs/dbraw/zinc/00/65/09/170006509.db2.gz PSLAVLJZHGYSSW-NSHDSACASA-N 1 1 209.293 1.285 40 0 BDABMO CC[N@H+]1CCO[C@](C)(c2n[nH]cc2C)C1 ZINC000257288015 170006510 /nfs/dbraw/zinc/00/65/10/170006510.db2.gz PSLAVLJZHGYSSW-NSHDSACASA-N 1 1 209.293 1.285 40 0 BDABMO CCOC(=O)C1C[NH+](Cc2ccccc2)C1 ZINC000095829849 170192938 /nfs/dbraw/zinc/19/29/38/170192938.db2.gz FMTYFFUHYLYKLH-UHFFFAOYSA-N 1 1 219.284 1.682 40 0 BDABMO CCOC(=O)[C@H]([NH3+])Cc1ccc(OC)cc1 ZINC000061892900 170275116 /nfs/dbraw/zinc/27/51/16/170275116.db2.gz GRDSNVUGGUKPKE-LLVKDONJSA-N 1 1 223.272 1.128 40 0 BDABMO CCOC(=O)c1c(C)nc(C)cc1C[NH+](C)C ZINC000055134774 170288227 /nfs/dbraw/zinc/28/82/27/170288227.db2.gz SKMYWVXDVAFEER-UHFFFAOYSA-N 1 1 236.315 1.937 40 0 BDABMO CCOCCC[NH2+][C@H]1CCCC[C@H]1N ZINC000218856035 170383184 /nfs/dbraw/zinc/38/31/84/170383184.db2.gz MCYAFTKGZSEWLU-MNOVXSKESA-N 1 1 200.326 1.273 40 0 BDABMO CCn1ccc(C[NH2+]Cc2cccn2C)n1 ZINC000020351132 172201375 /nfs/dbraw/zinc/20/13/75/172201375.db2.gz KPLQOHCZAADXPL-UHFFFAOYSA-N 1 1 218.304 1.531 40 0 BDABMO C[N@H+]1CCCC[C@@]12CCN(C(=O)c1ccco1)C2 ZINC000096203128 173006454 /nfs/dbraw/zinc/00/64/54/173006454.db2.gz QQALKFDNJNHNIE-AWEZNQCLSA-N 1 1 248.326 1.980 40 0 BDABMO C[N@H+]1CCC[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC000096071567 173038755 /nfs/dbraw/zinc/03/87/55/173038755.db2.gz NMFWIHPLHLUGLM-OAHLLOKOSA-N 1 1 245.370 1.999 40 0 BDABMO C[N@H+]1CC[C@@H](c2[nH]nc3ncccc32)C1 ZINC000257325673 173128470 /nfs/dbraw/zinc/12/84/70/173128470.db2.gz WTYKKUDZSCNUPW-MRVPVSSYSA-N 1 1 202.261 1.377 40 0 BDABMO C[N@H+]1CC[C@H](c2nnc(-c3ccco3)o2)C1 ZINC000049169488 173157370 /nfs/dbraw/zinc/15/73/70/173157370.db2.gz AXBQBHGSMGYJBU-QMMMGPOBSA-N 1 1 219.244 1.749 40 0 biogenic,in-vitro BDABMO CNC(=O)c1cnc([C@H]2CCCC[NH2+]2)s1 ZINC000257225890 173313104 /nfs/dbraw/zinc/31/31/04/173313104.db2.gz FIGIERWJNSQQRN-SSDOTTSWSA-N 1 1 225.317 1.317 40 0 BDABMO COC(=O)[C@H]([NH3+])Cc1c[nH]c2ccc(OC)cc12 ZINC000027851958 173799800 /nfs/dbraw/zinc/79/98/00/173799800.db2.gz ZLVRWEGIPKKGJL-LLVKDONJSA-N 1 1 248.282 1.219 40 0 BDABMO COc1ccccc1-c1c(N)onc1C[NH+](C)C ZINC000026512533 175308125 /nfs/dbraw/zinc/30/81/25/175308125.db2.gz WJBWRVYZVPCEHF-UHFFFAOYSA-N 1 1 247.298 1.994 40 0 BDABMO COc1ccccc1C[N@@H+](CCO)C1CC1 ZINC000050104018 175326567 /nfs/dbraw/zinc/32/65/67/175326567.db2.gz ZNVJPAPWWIDAMZ-UHFFFAOYSA-N 1 1 221.300 1.652 40 0 BDABMO C[C@H]1CC(C)(C)N[C@@H]([C@@H]2CCC=CO2)[NH2+]1 ZINC000019325709 177064183 /nfs/dbraw/zinc/06/41/83/177064183.db2.gz HDKKTOGRZBBVBD-DCAQKATOSA-N 1 1 210.321 1.755 40 0 BDABMO C[C@H]1CCC[N@@H+](CCCNC(=O)C2CC2)C1 ZINC000046959890 177098137 /nfs/dbraw/zinc/09/81/37/177098137.db2.gz QSVFFOOYCNDUJD-NSHDSACASA-N 1 1 224.348 1.635 40 0 BDABMO C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1C ZINC000115448325 323076964 /nfs/dbraw/zinc/07/69/64/323076964.db2.gz XKLDSRDAJRHFIY-AOOOYVTPSA-N 1 1 228.336 1.946 40 0 BDABMO CC(=O)N[C@H]1CC[C@H]([N@H+](CCN)C(C)C)CC1 ZINC000242495391 519701267 /nfs/dbraw/zinc/70/12/67/519701267.db2.gz GDNVSMPNPIXIRI-JOCQHMNTSA-N 1 1 241.379 1.103 40 0 BDABMO Cc1cc(N(C)C)cc([C@H]2CC[N@H+](C)C2)n1 ZINC000072386358 178095224 /nfs/dbraw/zinc/09/52/24/178095224.db2.gz ZGYUSKAEGQDCLW-NSHDSACASA-N 1 1 219.332 1.875 40 0 BDABMO Cc1cc(N(C)C)cc([C@H]2CC[N@@H+](C)C2)n1 ZINC000072386358 178095227 /nfs/dbraw/zinc/09/52/27/178095227.db2.gz ZGYUSKAEGQDCLW-NSHDSACASA-N 1 1 219.332 1.875 40 0 BDABMO Cc1cc([C@@H]2CCC[N@H+](CC(N)=O)C2)ccn1 ZINC000072366581 178238812 /nfs/dbraw/zinc/23/88/12/178238812.db2.gz ORDFBMRYCBFPBY-GFCCVEGCSA-N 1 1 233.315 1.055 40 0 BDABMO Cc1cc([C@@H]2CCC[N@@H+](CC(N)=O)C2)ccn1 ZINC000072366581 178238813 /nfs/dbraw/zinc/23/88/13/178238813.db2.gz ORDFBMRYCBFPBY-GFCCVEGCSA-N 1 1 233.315 1.055 40 0 BDABMO Cc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000016291904 178388097 /nfs/dbraw/zinc/38/80/97/178388097.db2.gz QLMBTIUGMLKLPH-UHFFFAOYSA-N 1 1 232.327 1.773 40 0 BDABMO Cc1cc(CCO)c[nH+]c1N1CCCCC1 ZINC000072222472 259320287 /nfs/dbraw/zinc/32/02/87/259320287.db2.gz SOPPBVIGJJVRLU-UHFFFAOYSA-N 1 1 220.316 1.915 40 0 BDABMO CN(C)C(=O)[C@H]1C[N@@H+](C)C[C@H]1c1cccc(N)c1 ZINC000242463421 398314295 /nfs/dbraw/zinc/31/42/95/398314295.db2.gz DANXGDIJIYQMCE-STQMWFEESA-N 1 1 247.342 1.002 40 0 BDABMO Cc1cc(C=O)c(C)c(CN2CC[NH+](C)CC2)c1 ZINC000023094358 343058538 /nfs/dbraw/zinc/05/85/38/343058538.db2.gz GSYJRHVPEFTAQI-UHFFFAOYSA-N 1 1 246.354 1.863 40 0 BDABMO C[N@@H+](CCO)Cc1ccc(Br)cc1 ZINC000042221839 343321014 /nfs/dbraw/zinc/32/10/14/343321014.db2.gz OSIRCHZCVHFGGI-UHFFFAOYSA-N 1 1 244.132 1.873 40 0 BDABMO [NH3+][C@@H]1CCN2CCc3ccccc3[C@H]2C1 ZINC000039343802 343388970 /nfs/dbraw/zinc/38/89/70/343388970.db2.gz HNIYDVDUPHDDRF-DGCLKSJQSA-N 1 1 202.301 1.707 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000096526094 343760089 /nfs/dbraw/zinc/76/00/89/343760089.db2.gz UORXKGYDDZMKEL-UWVGGRQHSA-N 1 1 208.236 1.056 40 0 BDABMO Cn1ccnc1-c1cncc([C@H]2CCC[N@H+]2C)n1 ZINC000585178857 344276245 /nfs/dbraw/zinc/27/62/45/344276245.db2.gz SLMPYXHXCIFSFW-GFCCVEGCSA-N 1 1 243.314 1.644 40 0 BDABMO C[C@@H](O)CN1CCC[C@@H]([C@@H]2CCC[N@@H+]2C)C1 ZINC000225528412 345246509 /nfs/dbraw/zinc/24/65/09/345246509.db2.gz QQVNFJUUBWYODO-UPJWGTAASA-N 1 1 226.364 1.173 40 0 BDABMO C[C@@H](O)CN1CCC[C@@H]([C@@H]2CCC[N@H+]2C)C1 ZINC000225528412 345246511 /nfs/dbraw/zinc/24/65/11/345246511.db2.gz QQVNFJUUBWYODO-UPJWGTAASA-N 1 1 226.364 1.173 40 0 BDABMO Cc1cccc(C[N@H+]2CC[C@H](O)C2)c1C ZINC000038538734 179082489 /nfs/dbraw/zinc/08/24/89/179082489.db2.gz DOQXDHDTWQRJCI-ZDUSSCGKSA-N 1 1 205.301 1.870 40 0 BDABMO Cc1cccc(C[N@H+]2CC[C@@H]3NC(=O)CC[C@H]32)c1 ZINC000107205311 179082568 /nfs/dbraw/zinc/08/25/68/179082568.db2.gz WHIREDCXKRHTAY-UONOGXRCSA-N 1 1 244.338 1.848 40 0 BDABMO CN1CC[C@H]([NH3+])[C@H](Cc2ccccc2)C1 ZINC000074204493 347252438 /nfs/dbraw/zinc/25/24/38/347252438.db2.gz DPPPALZSPFEMNV-OLZOCXBDSA-N 1 1 204.317 1.508 40 0 BDABMO Cc1[nH+]ccn1Cc1ccc(C(N)=O)cc1 ZINC000030697842 180269462 /nfs/dbraw/zinc/26/94/62/180269462.db2.gz KRJMRUDHPHVATO-UHFFFAOYSA-N 1 1 215.256 1.339 40 0 BDABMO CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000139185190 361586818 /nfs/dbraw/zinc/58/68/18/361586818.db2.gz BHOQHYOAFUMULA-UONOGXRCSA-N 1 1 216.328 1.823 40 0 BDABMO C[N@@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000139185190 361586821 /nfs/dbraw/zinc/58/68/21/361586821.db2.gz BHOQHYOAFUMULA-UONOGXRCSA-N 1 1 216.328 1.823 40 0 BDABMO C[N@H+]1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 ZINC000139185190 361586826 /nfs/dbraw/zinc/58/68/26/361586826.db2.gz BHOQHYOAFUMULA-UONOGXRCSA-N 1 1 216.328 1.823 40 0 BDABMO CN1CCN(c2ccc([C@H]3CCC[NH2+]3)cn2)CC1 ZINC000072216505 259528155 /nfs/dbraw/zinc/52/81/55/259528155.db2.gz YEKUARFFSBBRJE-CYBMUJFWSA-N 1 1 246.358 1.258 40 0 BDABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000205688307 368357601 /nfs/dbraw/zinc/35/76/01/368357601.db2.gz SZXCDKFCCINYHN-LLVKDONJSA-N 1 1 245.330 1.821 40 0 BDABMO Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000205688307 368357605 /nfs/dbraw/zinc/35/76/05/368357605.db2.gz SZXCDKFCCINYHN-LLVKDONJSA-N 1 1 245.330 1.821 40 0 BDABMO Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000205688307 368357611 /nfs/dbraw/zinc/35/76/11/368357611.db2.gz SZXCDKFCCINYHN-LLVKDONJSA-N 1 1 245.330 1.821 40 0 BDABMO OCC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000026898127 183098221 /nfs/dbraw/zinc/09/82/21/183098221.db2.gz YVENDIOSKPJMLX-ZDUSSCGKSA-N 1 1 221.300 1.270 40 0 BDABMO OCC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000026898127 183098223 /nfs/dbraw/zinc/09/82/23/183098223.db2.gz YVENDIOSKPJMLX-ZDUSSCGKSA-N 1 1 221.300 1.270 40 0 BDABMO NC[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000035677029 384089179 /nfs/dbraw/zinc/08/91/79/384089179.db2.gz HSMPCGOCWQZZEB-MRVPVSSYSA-N 1 1 220.194 1.544 40 0 BDABMO C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCO)C1 ZINC000079414079 384137322 /nfs/dbraw/zinc/13/73/22/384137322.db2.gz HIJOQLFZFMQBGJ-CQSZACIVSA-N 1 1 234.343 1.185 40 0 BDABMO CN(Cc1ccccc1)[C@@H]1CC[N@H+](CCO)C1 ZINC000079414079 384137330 /nfs/dbraw/zinc/13/73/30/384137330.db2.gz HIJOQLFZFMQBGJ-CQSZACIVSA-N 1 1 234.343 1.185 40 0 BDABMO CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079414079 384137339 /nfs/dbraw/zinc/13/73/39/384137339.db2.gz HIJOQLFZFMQBGJ-CQSZACIVSA-N 1 1 234.343 1.185 40 0 BDABMO CC(C)[N@@H+](CCO)[C@H](C)c1cnccn1 ZINC000079422317 384146740 /nfs/dbraw/zinc/14/67/40/384146740.db2.gz OOSCOTNMXCVDNL-SNVBAGLBSA-N 1 1 209.293 1.240 40 0 BDABMO COc1ccc2c(c1)[nH]c1c2nc[nH+]c1NN ZINC000408712472 384179633 /nfs/dbraw/zinc/17/96/33/384179633.db2.gz NUHVIRQUNMRDHQ-UHFFFAOYSA-N 1 1 229.243 1.405 40 0 BDABMO Nc1nccc([C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000072356830 384210955 /nfs/dbraw/zinc/21/09/55/384210955.db2.gz AOEBSJKRMYLQBK-SNVBAGLBSA-N 1 1 232.331 1.791 40 0 BDABMO Cn1cc(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)cn1 ZINC000072381901 384216781 /nfs/dbraw/zinc/21/67/81/384216781.db2.gz MGEZGWQDGGZXPE-NSHDSACASA-N 1 1 231.303 1.133 40 0 BDABMO Cc1cc(C)nc([C@@H]2CCCC[N@@H+]2CCO)n1 ZINC000072381362 384217016 /nfs/dbraw/zinc/21/70/16/384217016.db2.gz QQAGNLNZDWYXEK-LBPRGKRZSA-N 1 1 235.331 1.613 40 0 BDABMO Cc1cc(C)nc([C@@H]2CCCC[N@H+]2CCO)n1 ZINC000072381362 384217021 /nfs/dbraw/zinc/21/70/21/384217021.db2.gz QQAGNLNZDWYXEK-LBPRGKRZSA-N 1 1 235.331 1.613 40 0 BDABMO Cc1c(C[N@H+]2CC[C@@H](c3cc[nH]n3)C2)cnn1C ZINC000072383358 384219362 /nfs/dbraw/zinc/21/93/62/384219362.db2.gz NMVQGLXHVNQARA-LLVKDONJSA-N 1 1 245.330 1.441 40 0 BDABMO Cc1c(C[N@H+]2CC[C@H](c3cc[nH]n3)C2)cnn1C ZINC000072383357 384219436 /nfs/dbraw/zinc/21/94/36/384219436.db2.gz NMVQGLXHVNQARA-NSHDSACASA-N 1 1 245.330 1.441 40 0 BDABMO C=Cn1ncc(C[N@H+]2CCC[C@H](CO)C2)c1C ZINC000072397867 384221325 /nfs/dbraw/zinc/22/13/25/384221325.db2.gz SQFCHFOSRBSOKI-LBPRGKRZSA-N 1 1 235.331 1.496 40 0 BDABMO CC(C)[N@@H+](CC(=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000083318587 384291148 /nfs/dbraw/zinc/29/11/48/384291148.db2.gz YDLXGVNHGPLXOK-NSHDSACASA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[N@H+](CC(=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000083318587 384291153 /nfs/dbraw/zinc/29/11/53/384291153.db2.gz YDLXGVNHGPLXOK-NSHDSACASA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[NH+](CC(=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000083318587 384291159 /nfs/dbraw/zinc/29/11/59/384291159.db2.gz YDLXGVNHGPLXOK-NSHDSACASA-N 1 1 228.336 1.123 40 0 BDABMO CC(C)[NH+](CC(=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000083318587 384291163 /nfs/dbraw/zinc/29/11/63/384291163.db2.gz YDLXGVNHGPLXOK-NSHDSACASA-N 1 1 228.336 1.123 40 0 BDABMO Cc1ccc(C)c(NC(=O)C[NH+](C)C)c1 ZINC000014218167 384386579 /nfs/dbraw/zinc/38/65/79/384386579.db2.gz FURFGBLQCXMNEW-UHFFFAOYSA-N 1 1 206.289 1.804 40 0 BDABMO CN(C)[C@H]1c2ccccc2[C@@H]2C[NH2+]C[C@@H]21 ZINC000096251692 384447401 /nfs/dbraw/zinc/44/74/01/384447401.db2.gz LARBTBMLXIIAFQ-AVGNSLFASA-N 1 1 202.301 1.606 40 0 BDABMO Cn1cccc1C[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC000096073913 384431843 /nfs/dbraw/zinc/43/18/43/384431843.db2.gz FGHSBQBGFUJLMH-CQSZACIVSA-N 1 1 247.342 1.127 40 0 BDABMO COC[C@@H]1C[N@@H+](CC2CC2)Cc2nn(C)cc21 ZINC000096060369 384431865 /nfs/dbraw/zinc/43/18/65/384431865.db2.gz JSXMEJQTTAGWEH-NSHDSACASA-N 1 1 235.331 1.376 40 0 BDABMO CC[C@@H](C)[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC000096182411 384440442 /nfs/dbraw/zinc/44/04/42/384440442.db2.gz DIQNSVREYBENEC-UPJWGTAASA-N 1 1 246.358 1.643 40 0 BDABMO C[N@H+]1CCC[C@@H](C(=O)NCc2cccnc2)C1 ZINC000082308550 384662265 /nfs/dbraw/zinc/66/22/65/384662265.db2.gz VMMUPJZVBSKQNM-GFCCVEGCSA-N 1 1 233.315 1.040 40 0 BDABMO CCCCOC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000057418905 384947416 /nfs/dbraw/zinc/94/74/16/384947416.db2.gz VSFDFIPJWOBYLZ-GFCCVEGCSA-N 1 1 221.300 1.900 40 0 BDABMO CC[C@H]([NH3+])c1ccc(N2CCN(C)CC2)nc1C ZINC000072224654 385119710 /nfs/dbraw/zinc/11/97/10/385119710.db2.gz SHXCTAYAUDJBCR-ZDUSSCGKSA-N 1 1 248.374 1.552 40 0 BDABMO CC(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000062569122 385226546 /nfs/dbraw/zinc/22/65/46/385226546.db2.gz JZPNZEQSZRFEGD-GFCCVEGCSA-N 1 1 204.273 1.179 40 0 BDABMO [NH3+]C[C@H]1CCCCN1Cc1cc(C2CC2)[nH]n1 ZINC000096523600 385269784 /nfs/dbraw/zinc/26/97/84/385269784.db2.gz XJFCNWYOOWCIBZ-GFCCVEGCSA-N 1 1 234.347 1.600 40 0 BDABMO CCOC(=O)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000005717638 385506114 /nfs/dbraw/zinc/50/61/14/385506114.db2.gz BFVUHFOCHKBINX-LLVKDONJSA-N 1 1 211.305 1.957 40 0 BDABMO O=C(c1ccn[nH]1)N1CC[C@H]2[NH2+]CCCC[C@@H]2C1 ZINC000257218023 385753030 /nfs/dbraw/zinc/75/30/30/385753030.db2.gz DBOYDWHFMNDYGC-GHMZBOCLSA-N 1 1 248.330 1.014 40 0 BDABMO Cc1cc(C)nc(C[C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000257258228 385757512 /nfs/dbraw/zinc/75/75/12/385757512.db2.gz KSXDFHXVIKOTOI-CYBMUJFWSA-N 1 1 249.358 1.340 40 0 BDABMO CC(C)[N@@H+]1CCO[C@H](c2[nH]nc3ncccc32)C1 ZINC000257305541 385761152 /nfs/dbraw/zinc/76/11/52/385761152.db2.gz SQMINALOBJWDFV-NSHDSACASA-N 1 1 246.314 1.740 40 0 BDABMO CC(C)[N@H+]1CCO[C@H](c2[nH]nc3ncccc32)C1 ZINC000257305541 385761153 /nfs/dbraw/zinc/76/11/53/385761153.db2.gz SQMINALOBJWDFV-NSHDSACASA-N 1 1 246.314 1.740 40 0 BDABMO Cc1cnc([C@@H]2CCC[N@@H+](CCO)C2)s1 ZINC000257308735 385761425 /nfs/dbraw/zinc/76/14/25/385761425.db2.gz TXXHINSEFSOTKR-SNVBAGLBSA-N 1 1 226.345 1.623 40 0 BDABMO C[N@H+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000225609194 386673010 /nfs/dbraw/zinc/67/30/10/386673010.db2.gz YERUOLXDZSNEDO-CMPLNLGQSA-N 1 1 225.719 1.978 40 0 BDABMO CCCn1cc(C[NH2+]CCN(CC)CC)cn1 ZINC000116912118 387852268 /nfs/dbraw/zinc/85/22/68/387852268.db2.gz CXEAHVRXXMIKED-UHFFFAOYSA-N 1 1 238.379 1.725 40 0 BDABMO CC(C)n1cc(C[NH2+]Cc2ccnn2C)cn1 ZINC000226240913 387856769 /nfs/dbraw/zinc/85/67/69/387856769.db2.gz ZZYJYZYUWQOCHT-UHFFFAOYSA-N 1 1 233.319 1.487 40 0 BDABMO CCN(CC)CC[NH2+]Cc1c(C)cnn1CC ZINC000256050738 387858600 /nfs/dbraw/zinc/85/86/00/387858600.db2.gz GHRFZHMCRIQFGO-UHFFFAOYSA-N 1 1 238.379 1.643 40 0 BDABMO COC(=O)[C@]1([NH3+])C[C@@H]1c1ccc(F)cc1 ZINC000217737487 388380234 /nfs/dbraw/zinc/38/02/34/388380234.db2.gz HAQPZYKBEKIHME-KOLCDFICSA-N 1 1 209.220 1.184 40 0 BDABMO CCCC[C@@H]1C[C@@H](O)C[N@H+]1CCOCC ZINC000217881235 388383110 /nfs/dbraw/zinc/38/31/10/388383110.db2.gz CVWULBIVPMKHKA-VXGBXAGGSA-N 1 1 215.337 1.648 40 0 BDABMO C([C@@H]1CCCO1)[N@@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000242543341 388399265 /nfs/dbraw/zinc/39/92/65/388399265.db2.gz JXGJYHMXVRWTCW-RWMBFGLXSA-N 1 1 224.348 1.382 40 0 BDABMO C([C@@H]1CCCO1)[N@H+]1CCN[C@H]2CCCC[C@H]21 ZINC000242543341 388399268 /nfs/dbraw/zinc/39/92/68/388399268.db2.gz JXGJYHMXVRWTCW-RWMBFGLXSA-N 1 1 224.348 1.382 40 0 BDABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1cccc(OC)c1 ZINC000242548485 388399828 /nfs/dbraw/zinc/39/98/28/388399828.db2.gz LNISMTZZVFQDHO-QWHCGFSZSA-N 1 1 249.310 1.513 40 0 BDABMO Cc1ccnc(NCC2CC[NH2+]CC2)c1 ZINC000040434823 388415314 /nfs/dbraw/zinc/41/53/14/388415314.db2.gz LHRLOFWDSGSINX-UHFFFAOYSA-N 1 1 205.305 1.802 40 0 BDABMO CC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000067801211 170012182 /nfs/dbraw/zinc/01/21/82/170012182.db2.gz WYPHJLKRZSTDMH-SECBINFHSA-N 1 1 214.309 1.605 40 0 BDABMO CC[N@H+]1CCc2[nH]c(=S)[nH]c(=O)c2C1 ZINC000049474143 170025362 /nfs/dbraw/zinc/02/53/62/170025362.db2.gz BGRBYWXLHMERQS-UHFFFAOYSA-N 1 1 211.290 1.223 40 0 BDABMO CCOCCC[NH2+][C@@H]1CCCC[C@@H]1N ZINC000218855828 170382129 /nfs/dbraw/zinc/38/21/29/170382129.db2.gz MCYAFTKGZSEWLU-WDEREUQCSA-N 1 1 200.326 1.273 40 0 BDABMO CC[C@H]1CCCC[N@H+]1Cc1cc(N)nn1C ZINC000408716425 411885963 /nfs/dbraw/zinc/88/59/63/411885963.db2.gz MVDZBJBKZRVKRG-JTQLQIEISA-N 1 1 222.336 1.767 40 0 BDABMO C[C@@H]1C[C@@H]2C=CC=C[C@@H]2[N@H+]1Cc1cc(N)nn1C ZINC000408716626 411911266 /nfs/dbraw/zinc/91/12/66/411911266.db2.gz OZGNYYJORXTVMQ-MDZLAQPJSA-N 1 1 244.342 1.707 40 0 BDABMO Cn1nc(N)cc1C[N@@H+](C)C1CCCCC1 ZINC000408715526 411874554 /nfs/dbraw/zinc/87/45/54/411874554.db2.gz BMFOCWIMFVNQJR-UHFFFAOYSA-N 1 1 222.336 1.767 40 0 BDABMO CC[C@@H]1[N@@H+](CC2CC2)CCC[C@]12CCC(=O)N2 ZINC000096052408 171144294 /nfs/dbraw/zinc/14/42/94/171144294.db2.gz APOXNSUADOHALW-JSGCOSHPSA-N 1 1 236.359 1.920 40 0 BDABMO CC[C@H](C)NC(=S)N1CC[NH+](CC)CC1 ZINC000004216691 171338178 /nfs/dbraw/zinc/33/81/78/171338178.db2.gz GUYGSWQUGVKSAM-JTQLQIEISA-N 1 1 229.393 1.297 40 0 BDABMO CN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccncc1 ZINC000257205442 172385903 /nfs/dbraw/zinc/38/59/03/172385903.db2.gz AZBHVQYNKXQCEH-CYBMUJFWSA-N 1 1 247.342 1.524 40 0 BDABMO CN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccncc1 ZINC000257205442 172385905 /nfs/dbraw/zinc/38/59/05/172385905.db2.gz AZBHVQYNKXQCEH-CYBMUJFWSA-N 1 1 247.342 1.524 40 0 BDABMO C[N@H+]1CCCC[C@]12CCN(c1nncs1)C2 ZINC000096203131 173010233 /nfs/dbraw/zinc/01/02/33/173010233.db2.gz ZIZDXTNIGLGMGR-LLVKDONJSA-N 1 1 238.360 1.603 40 0 BDABMO C[N@H+]1CCCN(Cc2ccc(C=O)cc2)CC1 ZINC000019850999 173018091 /nfs/dbraw/zinc/01/80/91/173018091.db2.gz WFLDZQQKNFWMAY-UHFFFAOYSA-N 1 1 232.327 1.637 40 0 BDABMO CN1CCC[N@H+](Cc2ccc(C=O)cc2)CC1 ZINC000019850999 173018093 /nfs/dbraw/zinc/01/80/93/173018093.db2.gz WFLDZQQKNFWMAY-UHFFFAOYSA-N 1 1 232.327 1.637 40 0 BDABMO CN1CCC[N@@H+](Cc2ccc(C=O)cc2)CC1 ZINC000019850999 173018096 /nfs/dbraw/zinc/01/80/96/173018096.db2.gz WFLDZQQKNFWMAY-UHFFFAOYSA-N 1 1 232.327 1.637 40 0 BDABMO CN(C)c1cnc(C[C@H]2CCC[N@@H+](C)CC2)cn1 ZINC000257340009 173040321 /nfs/dbraw/zinc/04/03/21/173040321.db2.gz ZECWQTULPRZXJP-LBPRGKRZSA-N 1 1 248.374 1.817 40 0 BDABMO C[N@@H+]1CCC[C@H]1CNCc1cccnc1 ZINC000096511173 173055227 /nfs/dbraw/zinc/05/52/27/173055227.db2.gz YBKZMBOJZAMGAS-LBPRGKRZSA-N 1 1 205.305 1.265 40 0 BDABMO C[N@H+]1CCC[C@H]1CNCc1cccnc1 ZINC000096511173 173055231 /nfs/dbraw/zinc/05/52/31/173055231.db2.gz YBKZMBOJZAMGAS-LBPRGKRZSA-N 1 1 205.305 1.265 40 0 BDABMO C[N@H+]1CC[C@H](c2nnc(-c3cccnc3)o2)C1 ZINC000049169668 173158622 /nfs/dbraw/zinc/15/86/22/173158622.db2.gz IFKUIXNRCJEHFV-JTQLQIEISA-N 1 1 230.271 1.551 40 0 biogenic,in-vitro BDABMO COCC[N@H+]1CCC[C@@H](c2nc(C)c[nH]2)C1 ZINC000257228005 174306067 /nfs/dbraw/zinc/30/60/67/174306067.db2.gz FRYLWTCHNBKDDM-LLVKDONJSA-N 1 1 223.320 1.544 40 0 BDABMO COCC[N@H+]1CC[C@@H](O)[C@H]2CCCC[C@@H]21 ZINC000004687084 174313525 /nfs/dbraw/zinc/31/35/25/174313525.db2.gz AHGSGJBYLULRAA-SDDRHHMPSA-N 1 1 213.321 1.258 40 0 BDABMO COCCNc1ccc([C@H]2CCC[N@H+]2C)nc1 ZINC000072383415 174341599 /nfs/dbraw/zinc/34/15/99/174341599.db2.gz FYBDHRLMVAMXKF-CYBMUJFWSA-N 1 1 235.331 1.907 40 0 BDABMO COCCNc1ccc([C@@H]2CCC[N@H+]2C)nc1 ZINC000072383416 174341948 /nfs/dbraw/zinc/34/19/48/174341948.db2.gz FYBDHRLMVAMXKF-ZDUSSCGKSA-N 1 1 235.331 1.907 40 0 BDABMO COc1ccc(C[N@@H+](CCO)C2CC2)cc1 ZINC000070125192 175097172 /nfs/dbraw/zinc/09/71/72/175097172.db2.gz VJXFSNFJFJIFRG-UHFFFAOYSA-N 1 1 221.300 1.652 40 0 BDABMO COc1ccc(NC(=O)C[NH+]2CCCC2)c(N)c1 ZINC000008703626 175141358 /nfs/dbraw/zinc/14/13/58/175141358.db2.gz JADGIKZDJYGBHY-UHFFFAOYSA-N 1 1 249.314 1.312 40 0 BDABMO COc1ccc(NC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000082325933 175146609 /nfs/dbraw/zinc/14/66/09/175146609.db2.gz MJKDJUVDFAKEJR-NSHDSACASA-N 1 1 248.326 1.976 40 0 BDABMO COc1ccc([C@@H](CC[NH3+])N(C)C)cc1 ZINC000011762387 175178733 /nfs/dbraw/zinc/17/87/33/175178733.db2.gz ZWFLWOYYYOIBHR-GFCCVEGCSA-N 1 1 208.305 1.647 40 0 BDABMO COc1cccc(-c2c(N)onc2C[NH+](C)C)c1 ZINC000026512535 175233465 /nfs/dbraw/zinc/23/34/65/175233465.db2.gz GDBZFIVKLCCBJW-UHFFFAOYSA-N 1 1 247.298 1.994 40 0 BDABMO COc1cccc([C@H]2C[N@@H+](C)C[C@@H]2CO)c1 ZINC000217673736 175296295 /nfs/dbraw/zinc/29/62/95/175296295.db2.gz PXVHDGQRKTXDLF-DGCLKSJQSA-N 1 1 221.300 1.333 40 0 BDABMO [NH3+][C@H]1C(=O)N(C2CC2)[C@@H]1c1ccccc1F ZINC000256054378 487555707 /nfs/dbraw/zinc/55/57/07/487555707.db2.gz WATCUMHQUXYMLA-GHMZBOCLSA-N 1 1 220.247 1.199 40 0 BDABMO CCCCOC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC000057418913 520717583 /nfs/dbraw/zinc/71/75/83/520717583.db2.gz DCAUNIBIBOKWOZ-LBPRGKRZSA-N 1 1 237.299 1.605 40 0 BDABMO Cc1[nH+]c(N(C)C)c(C(N)=O)c(C)c1C ZINC001537958133 995044062 /nfs/dbraw/zinc/04/40/62/995044062.db2.gz PQXGQYWZYGCOFX-UHFFFAOYSA-N 1 1 207.277 1.172 40 0 BDABMO CC[N@H+]1CCC[C@@H](c2nc(C)cc(=O)[nH]2)C1 ZINC000072361086 343979988 /nfs/dbraw/zinc/97/99/88/343979988.db2.gz RKBJYWZHXAGGSD-SNVBAGLBSA-N 1 1 221.304 1.690 40 0 BDABMO CC(C)C[N@H+]1CCC[C@@H](c2nncn2C)C1 ZINC000072361117 343980089 /nfs/dbraw/zinc/98/00/89/343980089.db2.gz WPKDTKSVSFQMCW-LLVKDONJSA-N 1 1 222.336 1.651 40 0 BDABMO Cc1cc(N(C)C)nc([C@H]2CCC[N@@H+](C)C2)n1 ZINC000072381301 178096103 /nfs/dbraw/zinc/09/61/03/178096103.db2.gz ZHRWRJLSTAJRJT-NSHDSACASA-N 1 1 234.347 1.660 40 0 BDABMO N[C@@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000218874588 398243727 /nfs/dbraw/zinc/24/37/27/398243727.db2.gz WJGVXTQYDKCYTE-GHMZBOCLSA-N 1 1 210.346 1.760 40 0 BDABMO CC(C)c1ccc(C[NH2+]CCNCCO)cc1 ZINC000022076458 343039666 /nfs/dbraw/zinc/03/96/66/343039666.db2.gz SFSSNMNEQKEAPW-UHFFFAOYSA-N 1 1 236.359 1.482 40 0 BDABMO CCN(CC)C[C@@H]([NH3+])Cc1ccccc1 ZINC000039141005 343386212 /nfs/dbraw/zinc/38/62/12/343386212.db2.gz RKXCHDNBGAKTES-ZDUSSCGKSA-N 1 1 206.333 1.898 40 0 BDABMO CC[N@@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC000039334864 343388943 /nfs/dbraw/zinc/38/89/43/343388943.db2.gz HVIVBSWTWQQDJO-GFCCVEGCSA-N 1 1 216.284 1.519 40 0 BDABMO CC[N@H+]1CCN2C(=O)c3ccccc3[C@H]2C1 ZINC000039334864 343388947 /nfs/dbraw/zinc/38/89/47/343388947.db2.gz HVIVBSWTWQQDJO-GFCCVEGCSA-N 1 1 216.284 1.519 40 0 BDABMO CN1C(=O)CC[C@@]12CCC[N@@H+](CC1CC1)CC2 ZINC000585100531 344131297 /nfs/dbraw/zinc/13/12/97/344131297.db2.gz MMINCPIHVJDQAC-CQSZACIVSA-N 1 1 236.359 1.873 40 0 BDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(NCc1ccncc1)C2 ZINC000020524007 344457021 /nfs/dbraw/zinc/45/70/21/344457021.db2.gz MHLIXRSHBGDEJK-AGUYFDCRSA-N 1 1 231.343 1.796 40 0 BDABMO CC1CC[NH+](CC(=O)Nc2cccnc2)CC1 ZINC000075638760 347254198 /nfs/dbraw/zinc/25/41/98/347254198.db2.gz YPYHVPVXKXURKV-UHFFFAOYSA-N 1 1 233.315 1.752 40 0 BDABMO Cc1ccccc1C[N@@H+]1CCN[C@@H](C)C1 ZINC000071509111 179274464 /nfs/dbraw/zinc/27/44/64/179274464.db2.gz AHSCUBOOOJRZMJ-LBPRGKRZSA-N 1 1 204.317 1.789 40 0 BDABMO Cc1ccccc1C[N@H+]1CCN[C@@H](C)C1 ZINC000071509111 179274467 /nfs/dbraw/zinc/27/44/67/179274467.db2.gz AHSCUBOOOJRZMJ-LBPRGKRZSA-N 1 1 204.317 1.789 40 0 BDABMO Cc1cnc([C@H]2CCC[N@@H+](CCO)C2)s1 ZINC000257308734 179656158 /nfs/dbraw/zinc/65/61/58/179656158.db2.gz TXXHINSEFSOTKR-JTQLQIEISA-N 1 1 226.345 1.623 40 0 BDABMO CCc1n[nH]c(CC[NH+]2CCCCCC2)n1 ZINC000062719488 349340687 /nfs/dbraw/zinc/34/06/87/349340687.db2.gz UINOUKRCRXKSFZ-UHFFFAOYSA-N 1 1 222.336 1.786 40 0 BDABMO CCc1nc(CC[NH+]2CCCCCC2)n[nH]1 ZINC000062719488 349340690 /nfs/dbraw/zinc/34/06/90/349340690.db2.gz UINOUKRCRXKSFZ-UHFFFAOYSA-N 1 1 222.336 1.786 40 0 BDABMO COC(=O)C(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123083 350084323 /nfs/dbraw/zinc/08/43/23/350084323.db2.gz UBCNRDTZKHEWLX-AOOOYVTPSA-N 1 1 213.321 1.916 40 0 BDABMO CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000022123204 350084374 /nfs/dbraw/zinc/08/43/74/350084374.db2.gz JDLXWZOSNRKHLR-AXFHLTTASA-N 1 1 213.321 1.916 40 0 BDABMO [NH3+]CC(=O)c1ccc(F)c(OC(F)(F)F)c1 ZINC000098211066 191061947 /nfs/dbraw/zinc/06/19/47/191061947.db2.gz XJYSURKWBZWWPH-UHFFFAOYSA-N 1 1 237.152 1.866 40 0 BDABMO Cc1nccc([C@H]2C[N@H+](CC(C)C)CCO2)n1 ZINC000072383186 180209206 /nfs/dbraw/zinc/20/92/06/180209206.db2.gz ASJKPQDHKYFWRC-CYBMUJFWSA-N 1 1 235.331 1.814 40 0 BDABMO Cc1nccc([C@H]2C[N@@H+](CC(C)C)CCO2)n1 ZINC000072383186 180209207 /nfs/dbraw/zinc/20/92/07/180209207.db2.gz ASJKPQDHKYFWRC-CYBMUJFWSA-N 1 1 235.331 1.814 40 0 BDABMO C[C@]12C[N@@H+](Cc3ccccc3)C[C@H]1COC2=O ZINC000001437822 355354870 /nfs/dbraw/zinc/35/48/70/355354870.db2.gz WYYLGDWDFHKZPL-JSGCOSHPSA-N 1 1 231.295 1.682 40 0 BDABMO NC(=O)C([NH3+])(c1ccccc1)c1ccccc1 ZINC000031659344 181213426 /nfs/dbraw/zinc/21/34/26/181213426.db2.gz HXFAKPJUAWRIIA-UHFFFAOYSA-N 1 1 226.279 1.374 40 0 BDABMO CO[C@]12COC(=O)[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000016082745 356747585 /nfs/dbraw/zinc/74/75/85/356747585.db2.gz HOJNYORDDSEUCZ-GXTWGEPZSA-N 1 1 247.294 1.060 40 0 BDABMO CC[C@H](C)[N@@H+](C1CC1)[C@@H]1CNCC[C@@]1(C)O ZINC000685936321 538754285 /nfs/dbraw/zinc/75/42/85/538754285.db2.gz QMSBJDKRCKCHIB-CYZMBNFOSA-N 1 1 226.364 1.362 40 0 BDABMO CC[C@H](C)N(C1CC1)[C@@H]1C[NH2+]CC[C@@]1(C)O ZINC000685936321 538754308 /nfs/dbraw/zinc/75/43/08/538754308.db2.gz QMSBJDKRCKCHIB-CYZMBNFOSA-N 1 1 226.364 1.362 40 0 BDABMO O=C1CCC(=O)N1[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005382578 360486663 /nfs/dbraw/zinc/48/66/63/360486663.db2.gz UJZWYHABZLDLFD-WDEREUQCSA-N 1 1 236.315 1.152 40 0 biogenic,in-vitro BDABMO Cc1[nH+]c(N)ccc1[C@@H]1CCCCN1C=O ZINC000072218592 259529849 /nfs/dbraw/zinc/52/98/49/259529849.db2.gz OFKYBMQCQVOZCW-NSHDSACASA-N 1 1 219.288 1.656 40 0 BDABMO CC(C)[N@H+]1CC[C@H](c2ccnc3nccn32)C1 ZINC000205697217 368358599 /nfs/dbraw/zinc/35/85/99/368358599.db2.gz MZFAZCPNRNEPSO-NSHDSACASA-N 1 1 230.315 1.927 40 0 BDABMO C[N@H+]1CCC[C@H]1c1nccnc1-c1ncc[nH]1 ZINC000205695883 368358780 /nfs/dbraw/zinc/35/87/80/368358780.db2.gz RVGRHJQUHABKHV-VIFPVBQESA-N 1 1 229.287 1.633 40 0 BDABMO C[N@@H+]1CCCC[C@H]1c1cc(CCO)on1 ZINC000205700821 368359616 /nfs/dbraw/zinc/35/96/16/368359616.db2.gz UUFVWHXHXXYOIA-NSHDSACASA-N 1 1 210.277 1.366 40 0 BDABMO C[N@H+]1CCCC[C@H]1c1cc(CCO)on1 ZINC000205700821 368359623 /nfs/dbraw/zinc/35/96/23/368359623.db2.gz UUFVWHXHXXYOIA-NSHDSACASA-N 1 1 210.277 1.366 40 0 BDABMO [NH3+][C@H]1CCCN(Cc2[nH]nc3ccccc32)C1 ZINC000096523552 181644907 /nfs/dbraw/zinc/64/49/07/181644907.db2.gz XUMFEBATYXIJLQ-JTQLQIEISA-N 1 1 230.315 1.486 40 0 BDABMO CCOC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000038276790 372524938 /nfs/dbraw/zinc/52/49/38/372524938.db2.gz XWRMKUKCNUYSIV-STQMWFEESA-N 1 1 249.310 1.042 40 0 BDABMO OCC[C@@H]1CCCC[N@@H+]1Cc1ncc[nH]1 ZINC000019403653 183092923 /nfs/dbraw/zinc/09/29/23/183092923.db2.gz QKZSJJWMHLQTBA-JTQLQIEISA-N 1 1 209.293 1.147 40 0 BDABMO OCC[C@@H]1CCCC[N@H+]1Cc1ncc[nH]1 ZINC000019403653 183092925 /nfs/dbraw/zinc/09/29/25/183092925.db2.gz QKZSJJWMHLQTBA-JTQLQIEISA-N 1 1 209.293 1.147 40 0 BDABMO O[C@@H](C1CC1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000100480051 183173363 /nfs/dbraw/zinc/17/33/63/183173363.db2.gz MIXKOCBGTXYXIY-CABCVRRESA-N 1 1 247.338 1.658 40 0 BDABMO O[C@@H](C1CC1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000100480051 183173364 /nfs/dbraw/zinc/17/33/64/183173364.db2.gz MIXKOCBGTXYXIY-CABCVRRESA-N 1 1 247.338 1.658 40 0 BDABMO O[C@@H]1CC[N@@H+](Cc2ccccc2Cl)C1 ZINC000038538679 183199996 /nfs/dbraw/zinc/19/99/96/183199996.db2.gz PXEJSKHLNKPJTA-SNVBAGLBSA-N 1 1 211.692 1.907 40 0 BDABMO CCC[N@H+]1CCC[C@@H](OC(=O)N(C)C)C1 ZINC000005203237 169194221 /nfs/dbraw/zinc/19/42/21/169194221.db2.gz XSQCLJYZXBTODL-SNVBAGLBSA-N 1 1 214.309 1.559 40 0 BDABMO c1cc(-c2nnc([C@H]3CCC[NH2+]C3)[nH]2)ccn1 ZINC000012114035 183330190 /nfs/dbraw/zinc/33/01/90/183330190.db2.gz KPQZYPQCVHROHD-JTQLQIEISA-N 1 1 229.287 1.334 40 0 BDABMO c1cc([C@H]2CC[N@H+](Cc3cncs3)C2)n[nH]1 ZINC000257321221 183364289 /nfs/dbraw/zinc/36/42/89/183364289.db2.gz WAQIENMUJIUMLC-VIFPVBQESA-N 1 1 234.328 1.856 40 0 BDABMO c1cc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)n[nH]1 ZINC000257326437 183362311 /nfs/dbraw/zinc/36/23/11/183362311.db2.gz WXFIBTLLQMVWJB-NSHDSACASA-N 1 1 243.314 1.579 40 0 BDABMO c1cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)n[nH]1 ZINC000257326437 183362312 /nfs/dbraw/zinc/36/23/12/183362312.db2.gz WXFIBTLLQMVWJB-NSHDSACASA-N 1 1 243.314 1.579 40 0 BDABMO NC[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000035677050 384088512 /nfs/dbraw/zinc/08/85/12/384088512.db2.gz GVWFYJNEJZYKID-QMMMGPOBSA-N 1 1 233.084 1.547 40 0 BDABMO NC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000035677108 384088935 /nfs/dbraw/zinc/08/89/35/384088935.db2.gz OEIJOMZGRVVYHM-MRVPVSSYSA-N 1 1 204.195 1.664 40 0 BDABMO CC(C)[N@@H+](CCO)Cc1ccc(Cl)nn1 ZINC000079422379 384146957 /nfs/dbraw/zinc/14/69/57/384146957.db2.gz NYFAAPMYHZVYSJ-UHFFFAOYSA-N 1 1 229.711 1.333 40 0 BDABMO Cn1c2ccc(F)cc2c2nc[nH+]c(NN)c21 ZINC000408712426 384178926 /nfs/dbraw/zinc/17/89/26/384178926.db2.gz AMPYDCVGROXPEI-UHFFFAOYSA-N 1 1 231.234 1.546 40 0 BDABMO CN1C(=O)[C@@H]([NH3+])[C@H]1c1cccc(Cl)c1 ZINC000072228278 384202027 /nfs/dbraw/zinc/20/20/27/384202027.db2.gz QDRNLGISBRNDKC-DTWKUNHWSA-N 1 1 210.664 1.180 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000072228284 384202102 /nfs/dbraw/zinc/20/21/02/384202102.db2.gz QZJGSLDHBOPDRJ-RKDXNWHRSA-N 1 1 210.664 1.180 40 0 BDABMO Cn1cnnc1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072359870 384213439 /nfs/dbraw/zinc/21/34/39/384213439.db2.gz ANIZRBZEHSQYAW-CYBMUJFWSA-N 1 1 242.326 1.805 40 0 BDABMO Cn1cnnc1[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000072361351 384214208 /nfs/dbraw/zinc/21/42/08/384214208.db2.gz YZBFAMUZUGTYNX-LLVKDONJSA-N 1 1 220.320 1.405 40 0 BDABMO CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1ccccc1 ZINC000096246014 384446924 /nfs/dbraw/zinc/44/69/24/384446924.db2.gz LOMNHTNICMOEGN-STQMWFEESA-N 1 1 230.311 1.492 40 0 BDABMO O=C1OCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000016082744 384450129 /nfs/dbraw/zinc/45/01/29/384450129.db2.gz XLCRTPSFIQQHEF-OLZOCXBDSA-N 1 1 231.295 1.682 40 0 BDABMO COc1ccc(C[N@@H+]2C[C@@H](C)N(N)[C@@H](C)C2)cc1 ZINC000019167597 384510193 /nfs/dbraw/zinc/51/01/93/384510193.db2.gz RGRJYOKQNWGSAD-TXEJJXNPSA-N 1 1 249.358 1.464 40 0 BDABMO CN(C)C[C@H]1c2ccccc2CC[N@@H+]1C ZINC000022029652 384722446 /nfs/dbraw/zinc/72/24/46/384722446.db2.gz FTDUASQTTRDXDB-ZDUSSCGKSA-N 1 1 204.317 1.777 40 0 BDABMO CN1CCc2ccccc2[C@@H]1C[NH+](C)C ZINC000022029652 384722454 /nfs/dbraw/zinc/72/24/54/384722454.db2.gz FTDUASQTTRDXDB-ZDUSSCGKSA-N 1 1 204.317 1.777 40 0 BDABMO C[C@@H]([NH3+])c1nc(-c2ccccc2F)no1 ZINC000019785446 385051075 /nfs/dbraw/zinc/05/10/75/385051075.db2.gz UXGJMFPOMQLBST-ZCFIWIBFSA-N 1 1 207.208 1.895 40 0 BDABMO CC[C@H]([NH3+])c1cnc(N2CCN(C)CC2)c(C)c1 ZINC000072222567 385110433 /nfs/dbraw/zinc/11/04/33/385110433.db2.gz BFDASPOXHDFWAW-ZDUSSCGKSA-N 1 1 248.374 1.552 40 0 BDABMO CC[C@H]([NH3+])c1ccc(N2CCN(C)CC2)nc1 ZINC000072225533 385113879 /nfs/dbraw/zinc/11/38/79/385113879.db2.gz SYRMARPUZCDJDY-LBPRGKRZSA-N 1 1 234.347 1.243 40 0 BDABMO Cc1cc(N)[nH+]cc1[C@@H]1CCCCN1C=O ZINC000072218532 385100170 /nfs/dbraw/zinc/10/01/70/385100170.db2.gz XQRCUEIXXSTXLJ-NSHDSACASA-N 1 1 219.288 1.656 40 0 BDABMO COC(=O)[C@@]1(C)CC[N@H+]([C@@H]2CCCC[C@@H]2O)C1 ZINC000089909641 385211227 /nfs/dbraw/zinc/21/12/27/385211227.db2.gz PSTYTNIKHJPIFB-MDZLAQPJSA-N 1 1 241.331 1.175 40 0 BDABMO CC(C)(C)c1cc(CN2CCC[NH2+]CC2)n[nH]1 ZINC000096523651 385268733 /nfs/dbraw/zinc/26/87/33/385268733.db2.gz VVXFEIGLCWAQBQ-UHFFFAOYSA-N 1 1 236.363 1.503 40 0 BDABMO N[C@H]1CC[N@H+](CCCn2cnc3ccccc32)C1 ZINC000096523479 385269342 /nfs/dbraw/zinc/26/93/42/385269342.db2.gz WELBYCAOOLNBGX-LBPRGKRZSA-N 1 1 244.342 1.459 40 0 BDABMO N[C@H]1CC[N@@H+](CCCn2cnc3ccccc32)C1 ZINC000096523479 385269348 /nfs/dbraw/zinc/26/93/48/385269348.db2.gz WELBYCAOOLNBGX-LBPRGKRZSA-N 1 1 244.342 1.459 40 0 BDABMO C1CC1N1CCOC2(C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000397001566 385329893 /nfs/dbraw/zinc/32/98/93/385329893.db2.gz OCLMUYGZSNWUOP-QYJAPNMZSA-N 1 1 222.332 1.134 40 0 BDABMO BrC1=NO[C@@H](C[NH+]2CCCCC2)C1 ZINC000095098364 385493539 /nfs/dbraw/zinc/49/35/39/385493539.db2.gz VTUGSDCDGNRCPA-MRVPVSSYSA-N 1 1 247.136 1.970 40 0 BDABMO Cc1[nH+]cc2n1CCN(c1ccnc(Cl)n1)C2 ZINC000038579611 385670416 /nfs/dbraw/zinc/67/04/16/385670416.db2.gz UVIHISRKENLRFG-UHFFFAOYSA-N 1 1 249.705 1.655 40 0 BDABMO Cc1cn[nH]c1[C@H]1COCCN1Cc1ncc[nH]1 ZINC000257224654 385755319 /nfs/dbraw/zinc/75/53/19/385755319.db2.gz FCTBZOWTMDYYRC-SNVBAGLBSA-N 1 1 247.302 1.015 40 0 BDABMO C[NH2+][C@@H](C(N)=O)c1ccccc1Br ZINC000037869980 386108353 /nfs/dbraw/zinc/10/83/53/386108353.db2.gz PKWGAQZXXDIBIS-MRVPVSSYSA-N 1 1 243.104 1.195 40 0 BDABMO C[N@H+]1C[C@@H](CO)[C@@H](c2cccc(Cl)c2)C1 ZINC000225609153 386674136 /nfs/dbraw/zinc/67/41/36/386674136.db2.gz GXCBTASVJFFRNX-CMPLNLGQSA-N 1 1 225.719 1.978 40 0 BDABMO O=C(C1CCCC1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932662 386942067 /nfs/dbraw/zinc/94/20/67/386942067.db2.gz CQLLMNRUJHSIOZ-LBPRGKRZSA-N 1 1 222.332 1.483 40 0 BDABMO CCCn1nccc1C[NH2+]CCN(CC)CC ZINC000159965759 387853374 /nfs/dbraw/zinc/85/33/74/387853374.db2.gz UFUZNMCYHHDGHM-UHFFFAOYSA-N 1 1 238.379 1.725 40 0 BDABMO Cc1c(CNCC[NH+](C)C)cnn1CC(F)F ZINC000256052066 387861179 /nfs/dbraw/zinc/86/11/79/387861179.db2.gz LUBPNGFEQFJKJL-UHFFFAOYSA-N 1 1 246.305 1.108 40 0 BDABMO CCCn1nc(C)cc1CNCC[NH+](C)C ZINC000256054796 387862000 /nfs/dbraw/zinc/86/20/00/387862000.db2.gz XVLOFPMPHQPQEZ-UHFFFAOYSA-N 1 1 224.352 1.253 40 0 BDABMO CCCC[C@H]1C[C@@H](O)C[N@H+]1CCOCC ZINC000217881320 388382479 /nfs/dbraw/zinc/38/24/79/388382479.db2.gz CVWULBIVPMKHKA-NWDGAFQWSA-N 1 1 215.337 1.648 40 0 BDABMO CON(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072015382 388651863 /nfs/dbraw/zinc/65/18/63/388651863.db2.gz MYZQJOMWAANMII-CYBMUJFWSA-N 1 1 248.326 1.671 40 0 BDABMO CON(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072015381 388652089 /nfs/dbraw/zinc/65/20/89/388652089.db2.gz 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208.305 1.647 40 0 BDABMO COc1ccc([C@@H]([NH3+])c2nc(C)n(C)n2)cc1 ZINC000095533780 388777356 /nfs/dbraw/zinc/77/73/56/388777356.db2.gz ITDNAZVVBBOUGZ-LLVKDONJSA-N 1 1 232.287 1.180 40 0 BDABMO c1ccc(O[C@H]2C[C@@H]3CNCC[N@H+]3C2)cc1 ZINC000101186272 398036097 /nfs/dbraw/zinc/03/60/97/398036097.db2.gz STDVRIRGBVBCJE-YPMHNXCESA-N 1 1 218.300 1.112 40 0 BDABMO c1ccc(O[C@H]2C[C@@H]3CNCC[N@@H+]3C2)cc1 ZINC000101186272 398036101 /nfs/dbraw/zinc/03/61/01/398036101.db2.gz STDVRIRGBVBCJE-YPMHNXCESA-N 1 1 218.300 1.112 40 0 BDABMO CC(=O)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225683858 398073293 /nfs/dbraw/zinc/07/32/93/398073293.db2.gz HHTSERYVAXVVEL-OAHLLOKOSA-N 1 1 244.338 1.666 40 0 BDABMO NC[C@@H](CO)C1([NH+]2CCCCC2)CCCCC1 ZINC000072210382 322905996 /nfs/dbraw/zinc/90/59/96/322905996.db2.gz NLYYVFLHYCIAEN-ZDUSSCGKSA-N 1 1 240.391 1.742 40 0 BDABMO CC(C)[N@H+]1C[C@@H]2Cc3nc(N(C)C)ncc3[C@@H]2C1 ZINC000306125605 167029739 /nfs/dbraw/zinc/02/97/39/167029739.db2.gz CVLLHMFDFRGLRS-CMPLNLGQSA-N 1 1 246.358 1.523 40 0 BDABMO CN(C)C[C@H]1COc2ccccc2[C@@H]1[NH3+] ZINC000062702160 411220086 /nfs/dbraw/zinc/22/00/86/411220086.db2.gz GHGQETRMMUTEAD-JOYOIKCWSA-N 1 1 206.289 1.257 40 0 BDABMO CC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000067802620 170017980 /nfs/dbraw/zinc/01/79/80/170017980.db2.gz WYPHJLKRZSTDMH-VIFPVBQESA-N 1 1 214.309 1.605 40 0 BDABMO CCOC(=O)[C@@H](CCSC)[NH+](C)C ZINC000002045308 170251419 /nfs/dbraw/zinc/25/14/19/170251419.db2.gz FAUGGBDSWQMGDX-MRVPVSSYSA-N 1 1 205.323 1.233 40 0 BDABMO Cc1nc(N)cc(NCCCOC(C)C)[nH+]1 ZINC000383560712 411760332 /nfs/dbraw/zinc/76/03/32/411760332.db2.gz SVGUPAJNCFFPCS-UHFFFAOYSA-N 1 1 224.308 1.594 40 0 BDABMO Cc1nc(N)cc(CCc2ccccc2)[nH+]1 ZINC000575622599 411939736 /nfs/dbraw/zinc/93/97/36/411939736.db2.gz XFMAZEONXCSASD-UHFFFAOYSA-N 1 1 213.284 2.152 40 0 BDABMO CNc1cc(NCCCOC(C)C)nc[nH+]1 ZINC000383561265 412305372 /nfs/dbraw/zinc/30/53/72/412305372.db2.gz SZUUMMSAIAFBPE-UHFFFAOYSA-N 1 1 224.308 1.745 40 0 BDABMO CNc1cc(NCCCOC(C)C)[nH+]cn1 ZINC000383561265 412305376 /nfs/dbraw/zinc/30/53/76/412305376.db2.gz SZUUMMSAIAFBPE-UHFFFAOYSA-N 1 1 224.308 1.745 40 0 BDABMO C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000078578402 173039906 /nfs/dbraw/zinc/03/99/06/173039906.db2.gz ANFLHQKSOITLTO-NSHDSACASA-N 1 1 218.300 1.967 40 0 BDABMO C[N@H+]1CCC[C@H](c2nccnc2-n2ccnc2)C1 ZINC000072350490 173048689 /nfs/dbraw/zinc/04/86/89/173048689.db2.gz FYLHNAPUXRZQEA-NSHDSACASA-N 1 1 243.314 1.472 40 0 BDABMO C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1 ZINC000005921189 173051480 /nfs/dbraw/zinc/05/14/80/173051480.db2.gz MBYHXRROGKESQT-NSHDSACASA-N 1 1 204.273 1.719 40 0 BDABMO CNc1cccc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072381341 173481639 /nfs/dbraw/zinc/48/16/39/173481639.db2.gz RRTIGWSJIGOGMS-NSHDSACASA-N 1 1 221.304 1.253 40 0 BDABMO COCC(=O)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005743036 174062460 /nfs/dbraw/zinc/06/24/60/174062460.db2.gz HFNRVGNQFRTRRF-VXGBXAGGSA-N 1 1 241.331 1.441 40 0 BDABMO COCC[N@@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000072381559 174304494 /nfs/dbraw/zinc/30/44/94/174304494.db2.gz LCDAAOWJIPGOAA-NSHDSACASA-N 1 1 209.293 1.583 40 0 BDABMO COCC[N@H+]1CCCC[C@H]1c1cc[nH]n1 ZINC000072381559 174304497 /nfs/dbraw/zinc/30/44/97/174304497.db2.gz LCDAAOWJIPGOAA-NSHDSACASA-N 1 1 209.293 1.583 40 0 BDABMO COCC[N@H+]1CC[C@H](Cc2ccc(C)cn2)C1 ZINC000072381574 174314896 /nfs/dbraw/zinc/31/48/96/174314896.db2.gz MYHSIINILPTVAP-CYBMUJFWSA-N 1 1 234.343 1.901 40 0 BDABMO COc1cc2c(c(C)c1OC)C[N@H+](C)C[C@@H]2O ZINC000261829885 175019846 /nfs/dbraw/zinc/01/98/46/175019846.db2.gz XDHXVBUZZCYQRX-NSHDSACASA-N 1 1 237.299 1.491 40 0 BDABMO COc1cc2c(c(C)c1OC)C[N@@H+](C)C[C@@H]2O ZINC000261829885 175019848 /nfs/dbraw/zinc/01/98/48/175019848.db2.gz XDHXVBUZZCYQRX-NSHDSACASA-N 1 1 237.299 1.491 40 0 BDABMO COc1cccc([C@H]([NH3+])c2nc(C)n(C)n2)c1 ZINC000095533639 175294817 /nfs/dbraw/zinc/29/48/17/175294817.db2.gz OELPAZOYMPBPIL-NSHDSACASA-N 1 1 232.287 1.180 40 0 BDABMO COc1ccccc1CN1CCC[C@H](C[NH3+])C1 ZINC000011888376 175327512 /nfs/dbraw/zinc/32/75/12/175327512.db2.gz NDMLOMNKVNVUMR-GFCCVEGCSA-N 1 1 234.343 1.866 40 0 BDABMO Fc1cccc(CNC[C@H]2CCC[NH2+]C2)c1 ZINC000072202938 487995108 /nfs/dbraw/zinc/99/51/08/487995108.db2.gz ILQCZALDIMHHTM-LBPRGKRZSA-N 1 1 222.307 1.915 40 0 BDABMO Cc1cc(C(CCO)CCO)cc(C)[nH+]1 ZINC001534067578 990442943 /nfs/dbraw/zinc/44/29/43/990442943.db2.gz NHYXASCDIFDBQG-UHFFFAOYSA-N 1 1 209.289 1.547 40 0 BDABMO NNC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000199533667 398264738 /nfs/dbraw/zinc/26/47/38/398264738.db2.gz MSDSYWUJPBCDLA-CYBMUJFWSA-N 1 1 219.332 1.504 40 0 BDABMO O=S1(=O)C[C@]2([NH+]3CCCCC3)CCCC[C@H]21 ZINC000001725412 342711490 /nfs/dbraw/zinc/71/14/90/342711490.db2.gz OOLYUTFOHFXSLT-VXGBXAGGSA-N 1 1 243.372 1.582 40 0 BDABMO C[C@@H](CCc1ccccc1)NC1=[NH+]CCO1 ZINC000005022132 342756845 /nfs/dbraw/zinc/75/68/45/342756845.db2.gz LMZBCBIEZJGBHU-NSHDSACASA-N 1 1 218.300 1.984 40 0 BDABMO NNc1nc(C(F)(F)F)c2c([nH+]1)CCCC2 ZINC000043463771 342795462 /nfs/dbraw/zinc/79/54/62/342795462.db2.gz UVOJJIOXHFYUJF-UHFFFAOYSA-N 1 1 232.209 1.660 40 0 BDABMO NN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000019167085 342942988 /nfs/dbraw/zinc/94/29/88/342942988.db2.gz GHKWIACKPFWDCZ-UHFFFAOYSA-N 1 1 205.305 1.068 40 0 BDABMO Nc1ccc([C@H]2CN3CCSC3=[NH+]2)cc1 ZINC000038763346 343379069 /nfs/dbraw/zinc/37/90/69/343379069.db2.gz UTPPGYXTOFTCDF-SNVBAGLBSA-N 1 1 219.313 1.728 40 0 in-vitro BDABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccccc1F ZINC000096526052 343760031 /nfs/dbraw/zinc/76/00/31/343760031.db2.gz YWGPLMYVTSKHSR-VHSXEESVSA-N 1 1 208.236 1.056 40 0 BDABMO CC(C)C[N@H+]1CCC[C@@]2(CN(C(C)C)C2=O)C1 ZINC000585099283 344132095 /nfs/dbraw/zinc/13/20/95/344132095.db2.gz BCUIAMQGQDLEBM-AWEZNQCLSA-N 1 1 238.375 1.975 40 0 BDABMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)O1 ZINC000585283869 344401892 /nfs/dbraw/zinc/40/18/92/344401892.db2.gz PIYWKRFLZOHSFV-AWEZNQCLSA-N 1 1 246.310 1.753 40 0 BDABMO Cc1cccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000082305618 179087150 /nfs/dbraw/zinc/08/71/50/179087150.db2.gz IEZHTOJVCOKYFA-CQSZACIVSA-N 1 1 246.354 1.953 40 0 BDABMO Cc1cccc([C@H]2CCC[N@@H+]2CC(N)=O)n1 ZINC000072361162 179204099 /nfs/dbraw/zinc/20/40/99/179204099.db2.gz ISYUKESCVYWCRO-LLVKDONJSA-N 1 1 219.288 1.012 40 0 BDABMO Cc1cccc([C@H]2CCC[N@H+]2CC(N)=O)n1 ZINC000072361162 179204102 /nfs/dbraw/zinc/20/41/02/179204102.db2.gz ISYUKESCVYWCRO-LLVKDONJSA-N 1 1 219.288 1.012 40 0 BDABMO CC[NH+]1CCN(C(=O)c2ccc(C)c(N)c2)CC1 ZINC000020194725 347368182 /nfs/dbraw/zinc/36/81/82/347368182.db2.gz AIUSPMGYXSBREA-UHFFFAOYSA-N 1 1 247.342 1.355 40 0 BDABMO [NH3+][C@H](c1ccc(F)cc1)c1ncccn1 ZINC000037467219 348610422 /nfs/dbraw/zinc/61/04/22/348610422.db2.gz KVPLHSMBRBBVIT-SNVBAGLBSA-N 1 1 203.220 1.664 40 0 BDABMO COC(=O)CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000022538792 350113565 /nfs/dbraw/zinc/11/35/65/350113565.db2.gz XXBDHNWXJOFHPG-UWVGGRQHSA-N 1 1 215.293 1.049 40 0 BDABMO COC(=O)[C@H]([NH3+])Cc1c[nH]c2cccc(F)c12 ZINC000044909635 352656292 /nfs/dbraw/zinc/65/62/92/352656292.db2.gz ZIYNPXVEKXATPA-SECBINFHSA-N 1 1 236.246 1.350 40 0 BDABMO CC[N@H+]1CCC[C@H](Nc2ncccc2N)C1 ZINC000049193285 355960039 /nfs/dbraw/zinc/96/00/39/355960039.db2.gz JFOUONBEBZLARB-JTQLQIEISA-N 1 1 220.320 1.560 40 0 BDABMO O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H]1CCCO1 ZINC000054602957 363506788 /nfs/dbraw/zinc/50/67/88/363506788.db2.gz KXTBITIYTIQPMO-UMNHJUIQSA-N 1 1 209.289 1.361 40 0 BDABMO Cc1ccc(CN2CCC([NH3+])CC2)cc1 ZINC000011729463 370746321 /nfs/dbraw/zinc/74/63/21/370746321.db2.gz BRUKSTGIAUDJQX-UHFFFAOYSA-N 1 1 204.317 1.918 40 0 BDABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cnc[nH]3)C2)n1 ZINC000205688317 368357940 /nfs/dbraw/zinc/35/79/40/368357940.db2.gz SZXCDKFCCINYHN-NSHDSACASA-N 1 1 245.330 1.821 40 0 BDABMO Cc1c[nH]c([C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)n1 ZINC000205688317 368357943 /nfs/dbraw/zinc/35/79/43/368357943.db2.gz SZXCDKFCCINYHN-NSHDSACASA-N 1 1 245.330 1.821 40 0 BDABMO Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)n1 ZINC000205688317 368357951 /nfs/dbraw/zinc/35/79/51/368357951.db2.gz SZXCDKFCCINYHN-NSHDSACASA-N 1 1 245.330 1.821 40 0 BDABMO C[C@H]1C[C@H](C)C[NH+](C[C@@H](O)CNC2CC2)C1 ZINC000108020701 369372248 /nfs/dbraw/zinc/37/22/48/369372248.db2.gz SRGZXIQVTVCGOL-GVXVVHGQSA-N 1 1 226.364 1.077 40 0 BDABMO COC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H](C2)C1 ZINC000062709946 370074901 /nfs/dbraw/zinc/07/49/01/370074901.db2.gz UHBCTVLVGNABLA-PHIMTYICSA-N 1 1 211.305 1.672 40 0 BDABMO C([C@H]1CCCO1)[N@@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225711609 371569242 /nfs/dbraw/zinc/56/92/42/371569242.db2.gz JXGJYHMXVRWTCW-UPJWGTAASA-N 1 1 224.348 1.382 40 0 BDABMO C([C@H]1CCCO1)[N@H+]1CCN[C@@H]2CCCC[C@@H]21 ZINC000225711609 371569246 /nfs/dbraw/zinc/56/92/46/371569246.db2.gz JXGJYHMXVRWTCW-UPJWGTAASA-N 1 1 224.348 1.382 40 0 BDABMO O=C(C[C@H]1[C@H]2C[N@H+](CC3CC3)C[C@@H]12)N1CCCC1 ZINC000107745921 182024177 /nfs/dbraw/zinc/02/41/77/182024177.db2.gz WNJYMLQHJJJUGX-BTTYYORXSA-N 1 1 248.370 1.587 40 0 BDABMO OC[C@@H](c1ccccc1)[NH+]1CCOCC1 ZINC000049069861 183113999 /nfs/dbraw/zinc/11/39/99/183113999.db2.gz DWRQJSYKHGJWPN-LBPRGKRZSA-N 1 1 207.273 1.052 40 0 BDABMO O[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000038538944 183239782 /nfs/dbraw/zinc/23/97/82/183239782.db2.gz FUUQUDAXTKSJOL-JTQLQIEISA-N 1 1 213.227 1.531 40 0 BDABMO O[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000038538944 183239783 /nfs/dbraw/zinc/23/97/83/183239783.db2.gz FUUQUDAXTKSJOL-JTQLQIEISA-N 1 1 213.227 1.531 40 0 BDABMO O[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@]12CCCO2 ZINC000257224174 183240250 /nfs/dbraw/zinc/24/02/50/183240250.db2.gz FAPKWYUGAQBYKQ-KBPBESRZSA-N 1 1 248.326 1.197 40 0 BDABMO c1c[nH]c(C[N@H+]2CCC[C@H](Cc3cc[nH]n3)C2)n1 ZINC000257250032 183325713 /nfs/dbraw/zinc/32/57/13/183325713.db2.gz JKSMQFPVMXFBPS-LLVKDONJSA-N 1 1 245.330 1.588 40 0 BDABMO c1c[nH]c(C[N@@H+]2CCC[C@H](Cc3cc[nH]n3)C2)n1 ZINC000257250032 183325714 /nfs/dbraw/zinc/32/57/14/183325714.db2.gz JKSMQFPVMXFBPS-LLVKDONJSA-N 1 1 245.330 1.588 40 0 BDABMO c1nc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)c[nH]1 ZINC000257250192 183361802 /nfs/dbraw/zinc/36/18/02/183361802.db2.gz JLLFMHABDSQNNI-NSHDSACASA-N 1 1 243.314 1.579 40 0 BDABMO c1nc(C[N@H+]2CCC[C@H](c3ccncn3)C2)c[nH]1 ZINC000257250192 183361804 /nfs/dbraw/zinc/36/18/04/183361804.db2.gz JLLFMHABDSQNNI-NSHDSACASA-N 1 1 243.314 1.579 40 0 BDABMO c1ncc(C[N@@H+]2CCC[C@H](c3ccncn3)C2)[nH]1 ZINC000257250192 183361807 /nfs/dbraw/zinc/36/18/07/183361807.db2.gz JLLFMHABDSQNNI-NSHDSACASA-N 1 1 243.314 1.579 40 0 BDABMO c1ncc(C[N@H+]2CCC[C@H](c3ccncn3)C2)[nH]1 ZINC000257250192 183361809 /nfs/dbraw/zinc/36/18/09/183361809.db2.gz JLLFMHABDSQNNI-NSHDSACASA-N 1 1 243.314 1.579 40 0 BDABMO c1csc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000088301023 383891247 /nfs/dbraw/zinc/89/12/47/383891247.db2.gz GFLIVYQHZNUSIV-AOOOYVTPSA-N 1 1 208.330 1.399 40 0 BDABMO NC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000035677109 384087716 /nfs/dbraw/zinc/08/77/16/384087716.db2.gz OEIJOMZGRVVYHM-QMMMGPOBSA-N 1 1 204.195 1.664 40 0 BDABMO NC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000035677116 384088384 /nfs/dbraw/zinc/08/83/84/384088384.db2.gz PUJYRAIIWDESCZ-MRVPVSSYSA-N 1 1 204.195 1.664 40 0 BDABMO NC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000035677117 384090273 /nfs/dbraw/zinc/09/02/73/384090273.db2.gz PUJYRAIIWDESCZ-QMMMGPOBSA-N 1 1 204.195 1.664 40 0 BDABMO C[N@@H+](CCO)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000079393483 384134373 /nfs/dbraw/zinc/13/43/73/384134373.db2.gz MTRQJONYPRIQNA-CQSZACIVSA-N 1 1 234.343 1.185 40 0 BDABMO CN(CCO)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000079393483 384134378 /nfs/dbraw/zinc/13/43/78/384134378.db2.gz MTRQJONYPRIQNA-CQSZACIVSA-N 1 1 234.343 1.185 40 0 BDABMO CN(CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000079393483 384134380 /nfs/dbraw/zinc/13/43/80/384134380.db2.gz MTRQJONYPRIQNA-CQSZACIVSA-N 1 1 234.343 1.185 40 0 BDABMO CC[N@@H+](CCO)[C@@H]1CCCC[C@@H]1N(C)C ZINC000079405987 384136710 /nfs/dbraw/zinc/13/67/10/384136710.db2.gz OYDNNWKIHWGQAS-NWDGAFQWSA-N 1 1 214.353 1.173 40 0 BDABMO CCN(CCO)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079405987 384136714 /nfs/dbraw/zinc/13/67/14/384136714.db2.gz OYDNNWKIHWGQAS-NWDGAFQWSA-N 1 1 214.353 1.173 40 0 BDABMO CC(C)[N@@H+](C)C[C@H]1CCCN(CCO)C1 ZINC000079418511 384142361 /nfs/dbraw/zinc/14/23/61/384142361.db2.gz MQMHXTWQPOGGQF-GFCCVEGCSA-N 1 1 214.353 1.031 40 0 BDABMO CN(C)c1cccc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072381356 384217734 /nfs/dbraw/zinc/21/77/34/384217734.db2.gz SKIAAXNECISOST-GFCCVEGCSA-N 1 1 249.358 1.319 40 0 BDABMO COCc1nc([C@@H]2CCCCC[NH2+]2)no1 ZINC000095348373 384372725 /nfs/dbraw/zinc/37/27/25/384372725.db2.gz VNHALUREALLPEZ-QMMMGPOBSA-N 1 1 211.265 1.421 40 0 BDABMO CC[N@H+]1CCC[C@@]12CCCN(c1ncccn1)C2 ZINC000096203214 384442638 /nfs/dbraw/zinc/44/26/38/384442638.db2.gz RKKWESKZFHITEB-CQSZACIVSA-N 1 1 246.358 1.931 40 0 BDABMO c1ccc([C@]23CCC[N@H+]2CCCN3)cc1 ZINC000019329194 384515797 /nfs/dbraw/zinc/51/57/97/384515797.db2.gz NAKGVDHHANMIQD-ZDUSSCGKSA-N 1 1 202.301 1.929 40 0 BDABMO C[C@@](C[NH3+])(c1ccccc1)N1CCCC1 ZINC000070453374 384563825 /nfs/dbraw/zinc/56/38/25/384563825.db2.gz PFCQTLKUFBZCCE-CYBMUJFWSA-N 1 1 204.317 1.956 40 0 BDABMO C[C@@](CO)(c1cccs1)[NH+]1CCOCC1 ZINC000070453239 384564030 /nfs/dbraw/zinc/56/40/30/384564030.db2.gz GMRASXWVQLTHCT-LLVKDONJSA-N 1 1 227.329 1.288 40 0 BDABMO CCN(CC)c1nc(N)nc(N(CC)CC)[nH+]1 ZINC000000850710 384632334 /nfs/dbraw/zinc/63/23/34/384632334.db2.gz VJOHPAMUAGYVFA-UHFFFAOYSA-N 1 1 238.339 1.146 40 0 BDABMO CC(=O)c1c(N)sc2c1CC[N@@H+](C)C2 ZINC000083744536 384792421 /nfs/dbraw/zinc/79/24/21/384792421.db2.gz FAUHWXMLCUNGNK-UHFFFAOYSA-N 1 1 210.302 1.521 40 0 BDABMO CC(=O)c1c(N)sc2c1CC[N@H+](C)C2 ZINC000083744536 384792425 /nfs/dbraw/zinc/79/24/25/384792425.db2.gz FAUHWXMLCUNGNK-UHFFFAOYSA-N 1 1 210.302 1.521 40 0 BDABMO CC[NH+](CC)C1([C@@H](CN)CO)CCCC1 ZINC000072210386 385068365 /nfs/dbraw/zinc/06/83/65/385068365.db2.gz FPVFGPRDIKKQIW-NSHDSACASA-N 1 1 214.353 1.208 40 0 BDABMO CC[C@@H]([NH3+])c1cnc(N2CCN(C)CC2)c(C)c1 ZINC000072222568 385110924 /nfs/dbraw/zinc/11/09/24/385110924.db2.gz BFDASPOXHDFWAW-CYBMUJFWSA-N 1 1 248.374 1.552 40 0 BDABMO C(c1n[nH]c2c1CCCC2)N1CCC[NH2+]CC1 ZINC000096523652 385268379 /nfs/dbraw/zinc/26/83/79/385268379.db2.gz OFFULBDPROJLEH-UHFFFAOYSA-N 1 1 234.347 1.084 40 0 BDABMO CCc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2CC)cc1 ZINC000096526066 385277083 /nfs/dbraw/zinc/27/70/83/385277083.db2.gz YRKHJPRRLUVKIE-NEPJUHHUSA-N 1 1 218.300 1.480 40 0 BDABMO COc1ccccc1C[NH2+]Cc1cnc(N)nc1 ZINC000062717402 385717708 /nfs/dbraw/zinc/71/77/08/385717708.db2.gz XDLRCDJDGBQUSQ-UHFFFAOYSA-N 1 1 244.298 1.357 40 0 BDABMO Cc1nc([C@@]2(C)CCC[N@H+](C)C2)cc(=O)[nH]1 ZINC000257203334 385752275 /nfs/dbraw/zinc/75/22/75/385752275.db2.gz APOSKJNSEVWAAJ-LBPRGKRZSA-N 1 1 221.304 1.474 40 0 BDABMO Cc1c[nH]nc1[C@]1(C)C[N@@H+](CC(C)C)CCO1 ZINC000257267989 385757240 /nfs/dbraw/zinc/75/72/40/385757240.db2.gz MJUITYRJHDJGAI-ZDUSSCGKSA-N 1 1 237.347 1.922 40 0 BDABMO Cc1c[nH]c([C@H]2CCN(c3ncccn3)C2)[nH+]1 ZINC000257322076 385765260 /nfs/dbraw/zinc/76/52/60/385765260.db2.gz WEMPQGXGZMXSQN-JTQLQIEISA-N 1 1 229.287 1.502 40 0 BDABMO CCSc1ncc(CNCC[NH+](C)C)cn1 ZINC000062718350 385726318 /nfs/dbraw/zinc/72/63/18/385726318.db2.gz MXWMSGFMCXVUHE-UHFFFAOYSA-N 1 1 240.376 1.240 40 0 BDABMO Nc1cn(-c2cc[nH+]c3ccccc32)nn1 ZINC000218798388 388392409 /nfs/dbraw/zinc/39/24/09/388392409.db2.gz IXEBMTPMDDBKSK-UHFFFAOYSA-N 1 1 211.228 1.398 40 0 BDABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccc(C)o1 ZINC000217671313 388570836 /nfs/dbraw/zinc/57/08/36/388570836.db2.gz LEWINZHAPWFTQH-UWVGGRQHSA-N 1 1 223.272 1.406 40 0 BDABMO CC[C@]1(C)NC(=[NH2+])NC(=N)N1c1ccc(C)cc1 ZINC000003074581 132315510 /nfs/dbraw/zinc/31/55/10/132315510.db2.gz HSZXJTXNPGKAHV-CYBMUJFWSA-N 1 1 245.330 1.571 40 0 BDABMO Fc1ccc2c(c1)nccc2N1CC[NH2+]CC1 ZINC000068136417 132390223 /nfs/dbraw/zinc/39/02/23/132390223.db2.gz GEMFYTVPPBCQIR-UHFFFAOYSA-N 1 1 231.274 1.784 40 0 BDABMO c1ccc(O[C@H]2C[C@H]3CNCC[N@H+]3C2)cc1 ZINC000101186275 398035977 /nfs/dbraw/zinc/03/59/77/398035977.db2.gz STDVRIRGBVBCJE-AAEUAGOBSA-N 1 1 218.300 1.112 40 0 BDABMO c1ccc(O[C@H]2C[C@H]3CNCC[N@@H+]3C2)cc1 ZINC000101186275 398035981 /nfs/dbraw/zinc/03/59/81/398035981.db2.gz STDVRIRGBVBCJE-AAEUAGOBSA-N 1 1 218.300 1.112 40 0 BDABMO C[NH+](C)CCNCc1cnn(C2CCCC2)c1 ZINC000256050061 398040761 /nfs/dbraw/zinc/04/07/61/398040761.db2.gz CMKKNUPQYWRIQU-UHFFFAOYSA-N 1 1 236.363 1.649 40 0 BDABMO NC[C@@H](CO)C1([NH+]2CCCCC2)CCCC1 ZINC000072210388 322905992 /nfs/dbraw/zinc/90/59/92/322905992.db2.gz LFHVZPSMNZIOHO-LBPRGKRZSA-N 1 1 226.364 1.352 40 0 BDABMO Cc1cccc([C@H](CO)[NH+]2CCOCC2)c1 ZINC000070453138 410472247 /nfs/dbraw/zinc/47/22/47/410472247.db2.gz LEVGMWHTRLXXSP-ZDUSSCGKSA-N 1 1 221.300 1.361 40 0 BDABMO CC(C)OCCCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000072796592 167221658 /nfs/dbraw/zinc/22/16/58/167221658.db2.gz MRPGBPSFZNVEMR-LBPRGKRZSA-N 1 1 242.363 1.260 40 0 BDABMO CC(C)OCCC[NH2+][C@@H]1CCC[C@@H]1N ZINC000218873731 167224288 /nfs/dbraw/zinc/22/42/88/167224288.db2.gz ARDDYTTVTDFFBK-WDEREUQCSA-N 1 1 200.326 1.271 40 0 BDABMO CC[N@@H+]1CCO[C@@](C)(c2n[nH]cc2C)C1 ZINC000257288014 170004940 /nfs/dbraw/zinc/00/49/40/170004940.db2.gz PSLAVLJZHGYSSW-LLVKDONJSA-N 1 1 209.293 1.285 40 0 BDABMO CC[N@H+]1CCO[C@@](C)(c2n[nH]cc2C)C1 ZINC000257288014 170004942 /nfs/dbraw/zinc/00/49/42/170004942.db2.gz PSLAVLJZHGYSSW-LLVKDONJSA-N 1 1 209.293 1.285 40 0 BDABMO CC[N@H+]1CC[C@@H](c2cc(=O)cc(C)[nH]2)C1 ZINC000257287974 170014535 /nfs/dbraw/zinc/01/45/35/170014535.db2.gz PSGNGWJSYJQNKY-SNVBAGLBSA-N 1 1 206.289 1.905 40 0 BDABMO Cn1nc(N)cc1C[N@@H+]1CCC[C@@H]2C=CC=C[C@@H]21 ZINC000408716205 411954739 /nfs/dbraw/zinc/95/47/39/411954739.db2.gz JZTVLSVPTFLIMS-AAEUAGOBSA-N 1 1 244.342 1.709 40 0 BDABMO Cn1nc(N)cc1C[N@H+]1CCC[C@@H]2C=CC=C[C@@H]21 ZINC000408716205 411954743 /nfs/dbraw/zinc/95/47/43/411954743.db2.gz JZTVLSVPTFLIMS-AAEUAGOBSA-N 1 1 244.342 1.709 40 0 BDABMO CCc1nnc([C@H]([NH3+])c2ccc(OC)cc2)[nH]1 ZINC000095533730 172007563 /nfs/dbraw/zinc/00/75/63/172007563.db2.gz VVDVNQBLAVYZGS-LLVKDONJSA-N 1 1 232.287 1.424 40 0 BDABMO CCn1ccc(-c2nc([C@@H]3CCCC[NH2+]3)no2)n1 ZINC000096511445 172200032 /nfs/dbraw/zinc/20/00/32/172200032.db2.gz ZNURGACXZOGATD-VIFPVBQESA-N 1 1 247.302 1.768 40 0 BDABMO CN(C)C(=O)N1CCC2(CCCC[N@H+]2C)CC1 ZINC000096051209 172375935 /nfs/dbraw/zinc/37/59/35/172375935.db2.gz CNPYXQZNOHBZLJ-UHFFFAOYSA-N 1 1 239.363 1.618 40 0 BDABMO C[N@H+]1CCC[C@@H](Oc2ccccc2N)C1 ZINC000096526670 173022638 /nfs/dbraw/zinc/02/26/38/173022638.db2.gz FCZORDGDGCCCRP-SNVBAGLBSA-N 1 1 206.289 1.742 40 0 BDABMO C[N@H+]1CCC[C@@H](c2ccc(NCCO)cn2)C1 ZINC000072383418 173023601 /nfs/dbraw/zinc/02/36/01/173023601.db2.gz ZWYYMYCMRYQSPD-LLVKDONJSA-N 1 1 235.331 1.295 40 0 BDABMO C[N@H+]1CCC[C@@](O)(C(=O)c2ccccc2)C1 ZINC000001563466 173035393 /nfs/dbraw/zinc/03/53/93/173035393.db2.gz HRNDMRGKNJWGIL-ZDUSSCGKSA-N 1 1 219.284 1.326 40 0 BDABMO C[NH+]1CCN(C[C@H]2Cc3ccccc3N2)CC1 ZINC000096524013 173085429 /nfs/dbraw/zinc/08/54/29/173085429.db2.gz HJSYJQQKBBGARB-CYBMUJFWSA-N 1 1 231.343 1.271 40 0 BDABMO CN1c2ccccc2[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000091302258 173136928 /nfs/dbraw/zinc/13/69/28/173136928.db2.gz GTQVMLYRXPPDSO-WCQYABFASA-N 1 1 202.301 1.924 40 0 BDABMO C[N@H+]1CC[C@H](Cc2ccnc(-c3cc[nH]n3)c2)C1 ZINC000257276935 173147929 /nfs/dbraw/zinc/14/79/29/173147929.db2.gz NVTLEYODTSBSPM-GFCCVEGCSA-N 1 1 242.326 1.966 40 0 BDABMO C[N@H+]1C[C@H]2C[C@@H]1CN2C(=O)OC(C)(C)C ZINC000077031823 173198974 /nfs/dbraw/zinc/19/89/74/173198974.db2.gz VYYZBKDBMOBMBG-RKDXNWHRSA-N 1 1 212.293 1.310 40 0 BDABMO C[NH2+]Cc1noc(-c2nn(C)c3ccccc32)n1 ZINC000096511470 173399433 /nfs/dbraw/zinc/39/94/33/173399433.db2.gz OOIRMBRWIUVHIT-UHFFFAOYSA-N 1 1 243.270 1.343 40 0 BDABMO COCC[N@H+]1CCC[C@@H](Cc2ncccn2)C1 ZINC000257206376 174305976 /nfs/dbraw/zinc/30/59/76/174305976.db2.gz BDCCUAYCOWPKPK-LBPRGKRZSA-N 1 1 235.331 1.378 40 0 BDABMO COCC[N@@H+]1CCCC[C@H]1c1nccc(C)n1 ZINC000072381556 174306212 /nfs/dbraw/zinc/30/62/12/174306212.db2.gz YTDUZERDUJBROD-LBPRGKRZSA-N 1 1 235.331 1.958 40 0 BDABMO COCC[N@H+]1CCCC[C@H]1c1nccc(C)n1 ZINC000072381556 174306213 /nfs/dbraw/zinc/30/62/13/174306213.db2.gz YTDUZERDUJBROD-LBPRGKRZSA-N 1 1 235.331 1.958 40 0 BDABMO COCC[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000072379986 174309149 /nfs/dbraw/zinc/30/91/49/174309149.db2.gz FLAJKBZWZSXKHF-LBPRGKRZSA-N 1 1 235.331 1.611 40 0 BDABMO COCCO[C@H]1CC[N@@H+](C)[C@H]1Cc1ccccc1 ZINC000096200419 174366278 /nfs/dbraw/zinc/36/62/78/174366278.db2.gz JXQNFNICVVAFAC-GJZGRUSLSA-N 1 1 249.354 1.965 40 0 BDABMO COc1cc2c(cc1O)[C@@H](O)C[N@H+](C)[C@H]2C ZINC000003847405 175023946 /nfs/dbraw/zinc/02/39/46/175023946.db2.gz QYKJYRWPFATDSA-CPCISQLKSA-N 1 1 223.272 1.441 40 0 BDABMO COc1cc2c(cc1O)[C@@H](O)C[N@@H+](C)[C@H]2C ZINC000003847405 175023947 /nfs/dbraw/zinc/02/39/47/175023947.db2.gz QYKJYRWPFATDSA-CPCISQLKSA-N 1 1 223.272 1.441 40 0 BDABMO COc1ccc(F)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000038539006 175124036 /nfs/dbraw/zinc/12/40/36/175124036.db2.gz AIBNASBNWMTWLN-JTQLQIEISA-N 1 1 225.263 1.401 40 0 BDABMO COc1ccc(F)c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000038539006 175124037 /nfs/dbraw/zinc/12/40/37/175124037.db2.gz AIBNASBNWMTWLN-JTQLQIEISA-N 1 1 225.263 1.401 40 0 BDABMO C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](CO)C1 ZINC000100176673 177050902 /nfs/dbraw/zinc/05/09/02/177050902.db2.gz ZXTPHABXDVSFCI-GHMZBOCLSA-N 1 1 221.304 1.242 40 0 BDABMO C[N@H+]1C[C@H](CO)[C@@H](c2cccc(F)c2)C1 ZINC000225609030 487501583 /nfs/dbraw/zinc/50/15/83/487501583.db2.gz PMTYDJRHJNLFNW-ZYHUDNBSSA-N 1 1 209.264 1.463 40 0 BDABMO CC(=O)N[C@H]1CC[C@H]([N@H+](CCO)C(C)C)CC1 ZINC000248018546 519701037 /nfs/dbraw/zinc/70/10/37/519701037.db2.gz TXUMEMUVUAAHNB-JOCQHMNTSA-N 1 1 242.363 1.136 40 0 BDABMO CC[N@H+]1CCC[C@]1(C)c1nc(C)cc(N)n1 ZINC000072388336 343980134 /nfs/dbraw/zinc/98/01/34/343980134.db2.gz LRUWZYRVALINMH-GFCCVEGCSA-N 1 1 220.320 1.698 40 0 BDABMO Cc1cc(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)no1 ZINC000063527671 177992639 /nfs/dbraw/zinc/99/26/39/177992639.db2.gz HMUPFAMIYPGAEQ-AWEZNQCLSA-N 1 1 249.358 1.901 40 0 BDABMO Cc1cc(C[NH2+]Cc2ccnn2C(C)C)n(C)n1 ZINC000256049715 178027921 /nfs/dbraw/zinc/02/79/21/178027921.db2.gz BBZLGJSISRTKER-UHFFFAOYSA-N 1 1 247.346 1.796 40 0 BDABMO Cc1ccc(NC(=O)CN2CC[NH+](C)CC2)cc1 ZINC000022861304 136222253 /nfs/dbraw/zinc/22/22/53/136222253.db2.gz YNWSFPLYSDATPT-UHFFFAOYSA-N 1 1 247.342 1.181 40 0 BDABMO Cc1[nH+]c2cc(C)c(N)cc2n1CCCO ZINC000223770910 178301200 /nfs/dbraw/zinc/30/12/00/178301200.db2.gz ICAAOFMSFOWEFB-UHFFFAOYSA-N 1 1 219.288 1.618 40 0 BDABMO COC(C[N@@H+](C)Cc1ccccc1)OC ZINC000001708793 342710447 /nfs/dbraw/zinc/71/04/47/342710447.db2.gz ARYBMZWTLKTIFY-UHFFFAOYSA-N 1 1 209.289 1.737 40 0 BDABMO CN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(Cl)cc1Cl ZINC000072228298 259322823 /nfs/dbraw/zinc/32/28/23/259322823.db2.gz GHKAGPDBHJUHIQ-DTWKUNHWSA-N 1 1 245.109 1.834 40 0 BDABMO CN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(Cl)cc1Cl ZINC000072228301 259322851 /nfs/dbraw/zinc/32/28/51/259322851.db2.gz GHKAGPDBHJUHIQ-BDAKNGLRSA-N 1 1 245.109 1.834 40 0 BDABMO CN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000072228295 259322999 /nfs/dbraw/zinc/32/29/99/259322999.db2.gz ZXIJYYOKKAEBJR-IUCAKERBSA-N 1 1 244.216 1.546 40 0 BDABMO Cn1cc(C[NH2+]Cc2cc(F)ccc2F)cn1 ZINC000012395498 342851051 /nfs/dbraw/zinc/85/10/51/342851051.db2.gz SXOIRSWZSVVMMZ-UHFFFAOYSA-N 1 1 237.253 1.988 40 0 BDABMO COc1ccc([C@@]23CCC[N@H+]2CCCN3)cc1 ZINC000019329200 342945973 /nfs/dbraw/zinc/94/59/73/342945973.db2.gz PMGLPQRIWNNHRB-CQSZACIVSA-N 1 1 232.327 1.937 40 0 BDABMO CC(C)[N@@H+](CCO)Cc1ccc(Cl)nc1 ZINC000042479078 343320484 /nfs/dbraw/zinc/32/04/84/343320484.db2.gz WOMPALFVCDIOHD-UHFFFAOYSA-N 1 1 228.723 1.938 40 0 BDABMO O=C1CCC[C@]2(c3ccccc3)[NH2+]CCCN12 ZINC000035572433 343298277 /nfs/dbraw/zinc/29/82/77/343298277.db2.gz UZHDFTCCJFETLP-AWEZNQCLSA-N 1 1 230.311 1.845 40 0 BDABMO O=C1CC[C@@]2(c3ccc(F)cc3)[NH2+]CCCCN12 ZINC000035572415 343298615 /nfs/dbraw/zinc/29/86/15/343298615.db2.gz VQQQFIOKECOMGG-CQSZACIVSA-N 1 1 248.301 1.984 40 0 BDABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(F)cc1 ZINC000096526087 343759903 /nfs/dbraw/zinc/75/99/03/343759903.db2.gz AWZVEGRETJWOBS-UWVGGRQHSA-N 1 1 208.236 1.056 40 0 BDABMO CC[N@H+]1CCCC[C@H]1c1ccc(=O)[nH]c1 ZINC000068590751 343919400 /nfs/dbraw/zinc/91/94/00/343919400.db2.gz MMRXAHLUPIUIOF-NSHDSACASA-N 1 1 206.289 1.922 40 0 BDABMO OC[C@H]1CCn2nccc2C[N@H+]1C1CCCC1 ZINC000585097847 344130879 /nfs/dbraw/zinc/13/08/79/344130879.db2.gz RVCURRPSLNHMHP-CYBMUJFWSA-N 1 1 235.331 1.392 40 0 BDABMO COCc1nnc2n1CC[N@H+](C(C)C)[C@@H]2C ZINC000585096694 344131331 /nfs/dbraw/zinc/13/13/31/344131331.db2.gz AMOBFPKCMXXUFH-SECBINFHSA-N 1 1 224.308 1.210 40 0 BDABMO COCc1nnc2n1CC[N@@H+](C(C)C)[C@@H]2C ZINC000585096694 344131333 /nfs/dbraw/zinc/13/13/33/344131333.db2.gz AMOBFPKCMXXUFH-SECBINFHSA-N 1 1 224.308 1.210 40 0 BDABMO C[N@@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(F)c2)C1 ZINC000585107648 344134900 /nfs/dbraw/zinc/13/49/00/344134900.db2.gz FVJUDDRDRDTKJG-AAEUAGOBSA-N 1 1 248.301 1.602 40 0 BDABMO CC(C)(C)N1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(F)cc1 ZINC000256053352 344145582 /nfs/dbraw/zinc/14/55/82/344145582.db2.gz RCKAXZQXQSZYPS-WDEREUQCSA-N 1 1 236.290 1.835 40 0 BDABMO O=C1CC[C@@]2(CCC[N@H+](Cc3ncc[nH]3)C2)O1 ZINC000585282833 344401791 /nfs/dbraw/zinc/40/17/91/344401791.db2.gz IIZKRKNGWSLZMW-GFCCVEGCSA-N 1 1 235.287 1.081 40 0 BDABMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ncc[nH]3)C2)O1 ZINC000585282833 344401793 /nfs/dbraw/zinc/40/17/93/344401793.db2.gz IIZKRKNGWSLZMW-GFCCVEGCSA-N 1 1 235.287 1.081 40 0 BDABMO CC[NH+]1CCN(Cc2cccc(C=O)c2)CC1 ZINC000095738616 347123327 /nfs/dbraw/zinc/12/33/27/347123327.db2.gz BCHRODHTLNMHEJ-UHFFFAOYSA-N 1 1 232.327 1.637 40 0 BDABMO Cc1cccc([C@@H]2CCC[N@H+](CC(N)=O)C2)n1 ZINC000072383205 179190219 /nfs/dbraw/zinc/19/02/19/179190219.db2.gz FWBYXDNLCHEAKX-LLVKDONJSA-N 1 1 233.315 1.055 40 0 BDABMO Cc1cccc([C@@H]2CCC[N@@H+](CC(N)=O)C2)n1 ZINC000072383205 179190221 /nfs/dbraw/zinc/19/02/21/179190221.db2.gz FWBYXDNLCHEAKX-LLVKDONJSA-N 1 1 233.315 1.055 40 0 BDABMO Cc1ccccc1C[N@@H+](CCO)C1CC1 ZINC000048065241 179272458 /nfs/dbraw/zinc/27/24/58/179272458.db2.gz WWWNGMQQKGGNQK-UHFFFAOYSA-N 1 1 205.301 1.952 40 0 BDABMO Cc1ccccc1C[N@@H+]1CCN[C@H](C)C1 ZINC000071509110 179273310 /nfs/dbraw/zinc/27/33/10/179273310.db2.gz AHSCUBOOOJRZMJ-GFCCVEGCSA-N 1 1 204.317 1.789 40 0 BDABMO Cc1ccccc1C[N@H+]1CCN[C@H](C)C1 ZINC000071509110 179273312 /nfs/dbraw/zinc/27/33/12/179273312.db2.gz AHSCUBOOOJRZMJ-GFCCVEGCSA-N 1 1 204.317 1.789 40 0 BDABMO Cc1c[nH]nc1[C@@H]1CC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000205682401 348574691 /nfs/dbraw/zinc/57/46/91/348574691.db2.gz BYDPZSNVOPKLAD-LLVKDONJSA-N 1 1 245.330 1.739 40 0 BDABMO Cc1nc([C@H]2CCC[NH2+]C2)cc2cncn21 ZINC000257319377 180058279 /nfs/dbraw/zinc/05/82/79/180058279.db2.gz VSDPNTPNLOWBPP-JTQLQIEISA-N 1 1 216.288 1.505 40 0 BDABMO COC(=O)[C@@]1([NH3+])CC[C@@H]1c1ccccc1 ZINC000225949681 350136926 /nfs/dbraw/zinc/13/69/26/350136926.db2.gz QJFVJAHFPNSTBC-ZYHUDNBSSA-N 1 1 205.257 1.435 40 0 BDABMO O=C(c1ccc(F)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000027932123 350321953 /nfs/dbraw/zinc/32/19/53/350321953.db2.gz VSSQENKHBSPCNR-ZDUSSCGKSA-N 1 1 248.301 1.746 40 0 BDABMO Cc1ccc(F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000038538993 362959587 /nfs/dbraw/zinc/95/95/87/362959587.db2.gz UZHDRWCLLDGXLC-GFCCVEGCSA-N 1 1 209.264 1.701 40 0 BDABMO CCOC(=O)[C@@H]1C[C@@H]2C(=O)CCCC[C@H]2[NH2+]1 ZINC000218903276 191132143 /nfs/dbraw/zinc/13/21/43/191132143.db2.gz ZKQFKCSGDYCDAX-AEJSXWLSSA-N 1 1 225.288 1.039 40 0 biogenic BDABMO O=C1N=CN=C2C[N@H+](Cc3ccccc3)CC[C@H]12 ZINC000035269844 353410787 /nfs/dbraw/zinc/41/07/87/353410787.db2.gz ARGXWQQETZHTBW-LBPRGKRZSA-N 1 1 241.294 1.518 40 0 BDABMO O=C1N=CN=C2C[N@@H+](Cc3ccccc3)CC[C@H]12 ZINC000035269844 353410790 /nfs/dbraw/zinc/41/07/90/353410790.db2.gz ARGXWQQETZHTBW-LBPRGKRZSA-N 1 1 241.294 1.518 40 0 BDABMO NC(=O)[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000037460229 181277528 /nfs/dbraw/zinc/27/75/28/181277528.db2.gz LFFBTDXSWRJSRF-SSDOTTSWSA-N 1 1 218.178 1.191 40 0 BDABMO Cn1ccc(C[NH2+]Cc2ccccc2)n1 ZINC000002536085 357336057 /nfs/dbraw/zinc/33/60/57/357336057.db2.gz ORPDWLNGQPAFAE-UHFFFAOYSA-N 1 1 201.273 1.710 40 0 BDABMO CC[NH+]1CCN(C(=O)C2CCCC2)CC1 ZINC000023379300 357388115 /nfs/dbraw/zinc/38/81/15/357388115.db2.gz FTJYKIHAILIDBR-UHFFFAOYSA-N 1 1 210.321 1.341 40 0 BDABMO CC(C)(O)c1cc2c([nH+]c1N)CCCC2 ZINC000257197996 370682408 /nfs/dbraw/zinc/68/24/08/370682408.db2.gz PKEJUNVLYWIAKH-UHFFFAOYSA-N 1 1 206.289 1.770 40 0 BDABMO C[NH+](C)Cc1noc(N)c1-c1ccccc1 ZINC000011851053 370768201 /nfs/dbraw/zinc/76/82/01/370768201.db2.gz YHXFEJSSJPHGJG-UHFFFAOYSA-N 1 1 217.272 1.985 40 0 BDABMO C=Cc1c[nH+]c(N2CCN(C(C)=O)CC2)cc1C ZINC000072223743 259532339 /nfs/dbraw/zinc/53/23/39/259532339.db2.gz BGNBGYSHLJOYEU-UHFFFAOYSA-N 1 1 245.326 1.702 40 0 BDABMO Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1C=O ZINC000072224740 259533255 /nfs/dbraw/zinc/53/32/55/259533255.db2.gz DIHGUHAKFWWBRZ-UHFFFAOYSA-N 1 1 247.342 1.733 40 0 BDABMO CC(C)(C)N1C(=O)[C@@H]([NH3+])[C@@H]1c1cccc(F)c1 ZINC000256049606 370633977 /nfs/dbraw/zinc/63/39/77/370633977.db2.gz APZSWNIGUDUGQY-QWRGUYRKSA-N 1 1 236.290 1.835 40 0 BDABMO CCOCC[N@H+]1C[C@H](O)C[C@H]1CC(C)C ZINC000252514335 259548343 /nfs/dbraw/zinc/54/83/43/259548343.db2.gz CKPGDQNLDMXXFP-VXGBXAGGSA-N 1 1 215.337 1.504 40 0 BDABMO OCc1cc([C@H]2CCCC[N@H+]2CC2CC2)[nH]n1 ZINC000072383318 183162011 /nfs/dbraw/zinc/16/20/11/183162011.db2.gz IVQBZXNTZNPPCY-CYBMUJFWSA-N 1 1 235.331 1.839 40 0 BDABMO COC(=O)[C@@H]([NH3+])Cc1ccccc1Cl ZINC000057496989 383851959 /nfs/dbraw/zinc/85/19/59/383851959.db2.gz BSFAOUNWBLVIKZ-VIFPVBQESA-N 1 1 213.664 1.383 40 0 BDABMO C[N@H+](Cc1ccccc1)Cn1ccnc1 ZINC000001705807 383925497 /nfs/dbraw/zinc/92/54/97/383925497.db2.gz FQKLSTBZMJQKIB-UHFFFAOYSA-N 1 1 201.273 1.973 40 0 in-vitro BDABMO NC[C@@H](c1cccnc1)[NH+]1CCCCCC1 ZINC000022171655 383988914 /nfs/dbraw/zinc/98/89/14/383988914.db2.gz UAAPPVMYDVRVQA-ZDUSSCGKSA-N 1 1 219.332 1.957 40 0 BDABMO O=C1OCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000002547042 383973486 /nfs/dbraw/zinc/97/34/86/383973486.db2.gz XLCRTPSFIQQHEF-STQMWFEESA-N 1 1 231.295 1.682 40 0 BDABMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CCO)C1 ZINC000079414128 384135053 /nfs/dbraw/zinc/13/50/53/384135053.db2.gz CUNBLCVPFGTCRK-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CN(Cc1ccccc1)[C@H]1CCC[N@H+](CCO)C1 ZINC000079414128 384135064 /nfs/dbraw/zinc/13/50/64/384135064.db2.gz CUNBLCVPFGTCRK-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079414128 384135065 /nfs/dbraw/zinc/13/50/65/384135065.db2.gz CUNBLCVPFGTCRK-HNNXBMFYSA-N 1 1 248.370 1.575 40 0 BDABMO CC(C)[N@@H+](CCO)[C@@H]1CCCC[C@@H]1N(C)C ZINC000079406075 384135929 /nfs/dbraw/zinc/13/59/29/384135929.db2.gz FUGWAFHEEDYZQR-QWHCGFSZSA-N 1 1 228.380 1.562 40 0 BDABMO CC(C)N(CCO)[C@@H]1CCCC[C@@H]1[NH+](C)C ZINC000079406075 384135931 /nfs/dbraw/zinc/13/59/31/384135931.db2.gz FUGWAFHEEDYZQR-QWHCGFSZSA-N 1 1 228.380 1.562 40 0 BDABMO CC(C)[N@@H+](CCO)[C@H](C)c1ccccn1 ZINC000079421741 384144251 /nfs/dbraw/zinc/14/42/51/384144251.db2.gz YFGBJFKWCOZWES-LLVKDONJSA-N 1 1 208.305 1.845 40 0 BDABMO Cn1cnnc1[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000072361352 384214235 /nfs/dbraw/zinc/21/42/35/384214235.db2.gz YZBFAMUZUGTYNX-NSHDSACASA-N 1 1 220.320 1.405 40 0 BDABMO c1cnc([C@H]2CCC[N@H+]2C2CCOCC2)cn1 ZINC000072381933 384217712 /nfs/dbraw/zinc/21/77/12/384217712.db2.gz MZQJNDLGTHLJRK-CYBMUJFWSA-N 1 1 233.315 1.793 40 0 BDABMO Cc1nn(C)cc1C[N@H+]1CC[C@H](c2cc[nH]n2)C1 ZINC000072383359 384219056 /nfs/dbraw/zinc/21/90/56/384219056.db2.gz SEFPCQQQNSYGLB-NSHDSACASA-N 1 1 245.330 1.441 40 0 BDABMO CCO[C@H]1C[N@@H+](CC2CC2)[C@@H]2CCCO[C@@H]21 ZINC000096057442 384432360 /nfs/dbraw/zinc/43/23/60/384432360.db2.gz CQMJTBMOJKJCJD-AGIUHOORSA-N 1 1 225.332 1.665 40 0 BDABMO COC[C@]12CCCO[C@H]1CC[N@@H+](CC1CC1)C2 ZINC000096056770 384432411 /nfs/dbraw/zinc/43/24/11/384432411.db2.gz UDHXMYVILOGCFL-UONOGXRCSA-N 1 1 239.359 1.914 40 0 BDABMO COC[C@H]1Cn2cncc2C[N@H+](C2CCC2)C1 ZINC000096206790 384443676 /nfs/dbraw/zinc/44/36/76/384443676.db2.gz JOAKSVFAXPXOAP-LLVKDONJSA-N 1 1 235.331 1.514 40 0 BDABMO COC(=O)[C@H]([NH3+])[C@H](C)c1c[nH]c2ccccc21 ZINC000082299020 384662195 /nfs/dbraw/zinc/66/21/95/384662195.db2.gz MODKVBLBJQCEKA-PRHODGIISA-N 1 1 232.283 1.772 40 0 BDABMO c1cc([C@H]2CC[N@H+](Cc3cccnc3)C2)n[nH]1 ZINC000072187654 385043290 /nfs/dbraw/zinc/04/32/90/385043290.db2.gz KWZYSLMHJALBIR-LBPRGKRZSA-N 1 1 228.299 1.794 40 0 BDABMO Cc1cc([C@@H](C)[NH3+])cnc1N1CCN(C)CC1 ZINC000072222565 385111031 /nfs/dbraw/zinc/11/10/31/385111031.db2.gz ONINHSPBRLVUOS-LLVKDONJSA-N 1 1 234.347 1.162 40 0 BDABMO CCN1CCN(c2ncc([C@@H](C)[NH3+])cc2C)CC1 ZINC000072222591 385112575 /nfs/dbraw/zinc/11/25/75/385112575.db2.gz ZGJZPLGDSGFAKM-GFCCVEGCSA-N 1 1 248.374 1.552 40 0 BDABMO C=Cc1c[nH+]c(N2CCN(C=O)CC2)cc1C ZINC000072223691 385116146 /nfs/dbraw/zinc/11/61/46/385116146.db2.gz UPIZDALZEJOLOW-UHFFFAOYSA-N 1 1 231.299 1.311 40 0 BDABMO CC(C)(C)OC(=O)[C@@H]([NH3+])CC(F)(F)F ZINC000016159314 385402175 /nfs/dbraw/zinc/40/21/75/385402175.db2.gz TWAWKELJYPDHJO-YFKPBYRVSA-N 1 1 213.199 1.608 40 0 BDABMO CCN(C(=O)C[NH+](C)C)c1ccccc1 ZINC000066108583 385632014 /nfs/dbraw/zinc/63/20/14/385632014.db2.gz RVNDPHKIUBOCOH-UHFFFAOYSA-N 1 1 206.289 1.601 40 0 BDABMO CCOC[C@@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000253383494 385673259 /nfs/dbraw/zinc/67/32/59/385673259.db2.gz LTZFAAQYFIPZDS-ZDUSSCGKSA-N 1 1 235.331 1.686 40 0 BDABMO Cn1cnnc1[C@@]1(C)CCC[N@@H+](CC2CC2)C1 ZINC000257301248 385761439 /nfs/dbraw/zinc/76/14/39/385761439.db2.gz RXQYDNISDQUJGD-ZDUSSCGKSA-N 1 1 234.347 1.579 40 0 BDABMO CN1CCC([N@H+]2CCC[C@H]2c2cnccn2)CC1 ZINC000257317689 385764173 /nfs/dbraw/zinc/76/41/73/385764173.db2.gz VKUNSVPFKSWEQH-AWEZNQCLSA-N 1 1 246.358 1.708 40 0 BDABMO C[NH+]1CCC(N2CCC[C@H]2c2cnccn2)CC1 ZINC000257317689 385764175 /nfs/dbraw/zinc/76/41/75/385764175.db2.gz VKUNSVPFKSWEQH-AWEZNQCLSA-N 1 1 246.358 1.708 40 0 BDABMO c1ccc2c(c1)OCC[C@@]21COCC[NH2+]1 ZINC000306145475 385993902 /nfs/dbraw/zinc/99/39/02/385993902.db2.gz GMDYFBAEOYCHBL-GFCCVEGCSA-N 1 1 205.257 1.284 40 0 BDABMO COCCn1c(C)[nH+]c2ccc(N)cc21 ZINC000223768042 386100066 /nfs/dbraw/zinc/10/00/66/386100066.db2.gz SQSIOWGRIWCVLS-UHFFFAOYSA-N 1 1 205.261 1.573 40 0 BDABMO CC(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224706005 386147999 /nfs/dbraw/zinc/14/79/99/386147999.db2.gz ZDIDDVPEGBLDAF-UHFFFAOYSA-N 1 1 248.326 1.155 40 0 BDABMO C[NH+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000014218162 386584861 /nfs/dbraw/zinc/58/48/61/386584861.db2.gz QPLDROXYGASLCI-UHFFFAOYSA-N 1 1 212.680 1.840 40 0 BDABMO C[N@H+]1C[C@@H](CO)[C@@H](c2cccc(F)c2)C1 ZINC000225608997 386673673 /nfs/dbraw/zinc/67/36/73/386673673.db2.gz PMTYDJRHJNLFNW-CMPLNLGQSA-N 1 1 209.264 1.463 40 0 BDABMO c1ccc2c(c1)C[C@@H](C[NH+]1CCOCC1)N2 ZINC000087655843 386956270 /nfs/dbraw/zinc/95/62/70/386956270.db2.gz WZAOQCGQWSZHKQ-LBPRGKRZSA-N 1 1 218.300 1.355 40 0 BDABMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)CCO ZINC000016030049 387165439 /nfs/dbraw/zinc/16/54/39/387165439.db2.gz DZUDAROQGILUTD-PWSUYJOCSA-N 1 1 209.289 1.033 40 0 BDABMO O=C([O-])C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000041066884 387796091 /nfs/dbraw/zinc/79/60/91/387796091.db2.gz AEYVYPHDYRTLGS-UHFFFAOYSA-N 1 1 226.320 1.021 40 0 BDABMO CCCn1cc(C[NH2+]Cc2ccnn2C)cn1 ZINC000116913361 387851787 /nfs/dbraw/zinc/85/17/87/387851787.db2.gz NEOZFUAIWGTLGI-UHFFFAOYSA-N 1 1 233.319 1.316 40 0 BDABMO CCN(CC)CC[NH2+]Cc1cnn(C(C)C)c1 ZINC000226238077 387856820 /nfs/dbraw/zinc/85/68/20/387856820.db2.gz IAKOWAPDBLRROP-UHFFFAOYSA-N 1 1 238.379 1.895 40 0 BDABMO CC(C)Cn1nccc1CNCC[NH+](C)C ZINC000256051399 387858193 /nfs/dbraw/zinc/85/81/93/387858193.db2.gz JAJVGVALANZSEI-UHFFFAOYSA-N 1 1 224.352 1.190 40 0 BDABMO CCN(CC)CC[NH2+]Cc1ccnn1C(F)F ZINC000256051654 387859353 /nfs/dbraw/zinc/85/93/53/387859353.db2.gz KAWUBEDEPQOEGY-UHFFFAOYSA-N 1 1 246.305 1.710 40 0 BDABMO CC(C)c1cc(C[NH2+]Cc2ccnn2C)n(C)n1 ZINC000256053940 387861868 /nfs/dbraw/zinc/86/18/68/387861868.db2.gz UGNSZOOUJQDFIA-UHFFFAOYSA-N 1 1 247.346 1.567 40 0 BDABMO CC[C@@H](C)n1nccc1C[NH2+]Cc1ccnn1C ZINC000256054592 387862129 /nfs/dbraw/zinc/86/21/29/387862129.db2.gz WXMJDNMAQNERGU-LLVKDONJSA-N 1 1 247.346 1.877 40 0 BDABMO CCOCC[N@H+]1C[C@@H](O)C[C@@H]1CC(C)C ZINC000217886359 388383081 /nfs/dbraw/zinc/38/30/81/388383081.db2.gz CKPGDQNLDMXXFP-RYUDHWBXSA-N 1 1 215.337 1.504 40 0 BDABMO COc1cccc([C@H]2C[N@@H+](C)C[C@H]2CO)c1 ZINC000242620198 388400082 /nfs/dbraw/zinc/40/00/82/388400082.db2.gz PXVHDGQRKTXDLF-WCQYABFASA-N 1 1 221.300 1.333 40 0 BDABMO CC[NH+]1CCN(c2ccc(C=O)cn2)CC1 ZINC000072225540 132396324 /nfs/dbraw/zinc/39/63/24/132396324.db2.gz FLZUBYBFDYGLHX-UHFFFAOYSA-N 1 1 219.288 1.036 40 0 BDABMO CC(C)(C)N1C(=O)[C@@H]([NH3+])[C@H]1c1ccccc1 ZINC000196566602 397911267 /nfs/dbraw/zinc/91/12/67/397911267.db2.gz QCBBUJYRYTXIOP-WDEREUQCSA-N 1 1 218.300 1.696 40 0 BDABMO c1ccc(O[C@@H]2C[C@H]3CNCC[N@H+]3C2)cc1 ZINC000101186274 398035898 /nfs/dbraw/zinc/03/58/98/398035898.db2.gz STDVRIRGBVBCJE-WCQYABFASA-N 1 1 218.300 1.112 40 0 BDABMO c1ccc(O[C@@H]2C[C@H]3CNCC[N@@H+]3C2)cc1 ZINC000101186274 398035900 /nfs/dbraw/zinc/03/59/00/398035900.db2.gz STDVRIRGBVBCJE-WCQYABFASA-N 1 1 218.300 1.112 40 0 BDABMO C[C@@H]([NH2+]CCN(C)C)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000022863011 397976329 /nfs/dbraw/zinc/97/63/29/397976329.db2.gz ZLWXLJFFWVRCEU-MCIONIFRSA-N 1 1 239.407 1.401 40 0 BDABMO C[C@@H]([NH2+]CCN(C)C)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000022863011 397976335 /nfs/dbraw/zinc/97/63/35/397976335.db2.gz ZLWXLJFFWVRCEU-MCIONIFRSA-N 1 1 239.407 1.401 40 0 BDABMO CC(C)OC[C@@H](O)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000006468372 167262072 /nfs/dbraw/zinc/26/20/72/167262072.db2.gz UNQYRDSDDCNSAO-XQQFMLRXSA-N 1 1 229.364 1.750 40 0 BDABMO CC(C)[N@H+]1CC[C@H](c2[nH]nc3nccnc32)C1 ZINC000072381392 167027646 /nfs/dbraw/zinc/02/76/46/167027646.db2.gz ITCWULGIHDESGC-VIFPVBQESA-N 1 1 231.303 1.551 40 0 BDABMO CC[N@@H+]1C[C@H]2CN(Cc3ccoc3)C[C@@H](C1)O2 ZINC000096252588 170040908 /nfs/dbraw/zinc/04/09/08/170040908.db2.gz HETNGLLXJJUSJH-BETUJISGSA-N 1 1 236.315 1.185 40 0 BDABMO CCOC(=O)[C@H]([NH3+])CS[C@@H]1CCCCO1 ZINC000019805064 170275634 /nfs/dbraw/zinc/27/56/34/170275634.db2.gz QGZKVZJVXAQCSO-RKDXNWHRSA-N 1 1 233.333 1.137 40 0 BDABMO CCOCC[N@H+]1C[C@H](O)C[C@@H]1C(C)C ZINC000217883841 170403265 /nfs/dbraw/zinc/40/32/65/170403265.db2.gz SYFIHBZJMLYIOZ-GHMZBOCLSA-N 1 1 201.310 1.114 40 0 BDABMO Cn1nc(N)cc1C[N@@H+]1CCC[C@@H]2C=CC=C[C@H]21 ZINC000408716207 411954629 /nfs/dbraw/zinc/95/46/29/411954629.db2.gz JZTVLSVPTFLIMS-WCQYABFASA-N 1 1 244.342 1.709 40 0 BDABMO Cn1nc(N)cc1C[N@H+]1CCC[C@@H]2C=CC=C[C@H]21 ZINC000408716207 411954635 /nfs/dbraw/zinc/95/46/35/411954635.db2.gz JZTVLSVPTFLIMS-WCQYABFASA-N 1 1 244.342 1.709 40 0 BDABMO CCc1nnc([C@@H]([NH3+])c2ccc(OC)cc2)[nH]1 ZINC000095533731 172005166 /nfs/dbraw/zinc/00/51/66/172005166.db2.gz VVDVNQBLAVYZGS-NSHDSACASA-N 1 1 232.287 1.424 40 0 BDABMO C[N@H+]1CCCN(C(=O)Nc2ccccc2)CC1 ZINC000016189038 173013010 /nfs/dbraw/zinc/01/30/10/173013010.db2.gz PAZQWNVLPLDOFA-UHFFFAOYSA-N 1 1 233.315 1.856 40 0 BDABMO CN1CCC[C@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515794 173058315 /nfs/dbraw/zinc/05/83/15/173058315.db2.gz ZVFZUUAVIAYGQA-WPRPVWTQSA-N 1 1 220.320 1.513 40 0 BDABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(N)(C(F)(F)F)C2 ZINC000082670857 173207303 /nfs/dbraw/zinc/20/73/03/173207303.db2.gz IUBSYSDDJKSNDV-DHBOJHSNSA-N 1 1 208.227 1.503 40 0 BDABMO CNC(=O)c1cnc([C@@H]2CCCC[NH2+]2)s1 ZINC000257225891 173312972 /nfs/dbraw/zinc/31/29/72/173312972.db2.gz FIGIERWJNSQQRN-ZETCQYMHSA-N 1 1 225.317 1.317 40 0 BDABMO COCC(=O)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000005743031 174061957 /nfs/dbraw/zinc/06/19/57/174061957.db2.gz HFNRVGNQFRTRRF-NWDGAFQWSA-N 1 1 241.331 1.441 40 0 BDABMO COCC[N@H+]1CC[C@@H](O)[C@@H]2CCCC[C@@H]21 ZINC000015319274 174313261 /nfs/dbraw/zinc/31/32/61/174313261.db2.gz AHGSGJBYLULRAA-GRYCIOLGSA-N 1 1 213.321 1.258 40 0 BDABMO COc1cc2c(cc1O)CC[N@@H+](C)[C@H]2C ZINC000002005066 175023323 /nfs/dbraw/zinc/02/33/23/175023323.db2.gz BQWXVEGUQMSXOH-QMMMGPOBSA-N 1 1 207.273 1.950 40 0 BDABMO COc1ccc2c(c1)C[N@H+](C)C[C@@H]2OC ZINC000095470380 175209350 /nfs/dbraw/zinc/20/93/50/175209350.db2.gz MVTIPZXVPRJMOO-LBPRGKRZSA-N 1 1 207.273 1.828 40 0 BDABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](C)C3)nc2c1 ZINC000035446763 175229851 /nfs/dbraw/zinc/22/98/51/175229851.db2.gz AECUODKPXWOSJG-VIFPVBQESA-N 1 1 231.299 1.991 40 0 biogenic,in-vitro BDABMO COc1ccc2nc([C@H]3CC[N@H+](C)C3)[nH]c2c1 ZINC000035446763 175229853 /nfs/dbraw/zinc/22/98/53/175229853.db2.gz AECUODKPXWOSJG-VIFPVBQESA-N 1 1 231.299 1.991 40 0 biogenic,in-vitro BDABMO COc1ccc2nc([C@H]3CC[N@@H+](C)C3)[nH]c2c1 ZINC000035446763 175229855 /nfs/dbraw/zinc/22/98/55/175229855.db2.gz AECUODKPXWOSJG-VIFPVBQESA-N 1 1 231.299 1.991 40 0 biogenic,in-vitro BDABMO C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1ccoc1 ZINC000072397538 176323021 /nfs/dbraw/zinc/32/30/21/176323021.db2.gz MRBHYZJKKSJHFW-DGCLKSJQSA-N 1 1 220.316 1.948 40 0 BDABMO C[C@@H]1CNC[C@H](C)[N@H+]1Cc1ccccc1 ZINC000023473332 177285869 /nfs/dbraw/zinc/28/58/69/177285869.db2.gz BNPHYNQCHNBJEL-TXEJJXNPSA-N 1 1 204.317 1.869 40 0 BDABMO C[C@@H]1CNC[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000023473332 177285870 /nfs/dbraw/zinc/28/58/70/177285870.db2.gz BNPHYNQCHNBJEL-TXEJJXNPSA-N 1 1 204.317 1.869 40 0 BDABMO CC(C)[N@@H+](CC(=O)[O-])[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC000248043399 519637941 /nfs/dbraw/zinc/63/79/41/519637941.db2.gz VWXPKAUYGWEATB-HAQNSBGRSA-N 1 1 242.363 1.654 40 0 BDABMO