smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCCCC[NH2+]Cc1ccccc1O ZINC000001851836 342713122 /nfs/dbraw/zinc/71/31/22/342713122.db2.gz JVFUIBIXLUFIPA-UHFFFAOYSA-N 1 0 207.317 3.062 20 10 BGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]C1CC1 ZINC000012190618 367926924 /nfs/dbraw/zinc/92/69/24/367926924.db2.gz GEFMSGLJQBIMSR-UHFFFAOYSA-N 1 0 239.318 3.311 20 10 BGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000019232273 712625561 /nfs/dbraw/zinc/62/55/61/712625561.db2.gz LVCJKWKPVCAOBB-UKRRQHHQSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000019232274 712625551 /nfs/dbraw/zinc/62/55/51/712625551.db2.gz LVCJKWKPVCAOBB-DZGCQCFKSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000019232275 712625504 /nfs/dbraw/zinc/62/55/04/712625504.db2.gz LVCJKWKPVCAOBB-HIFRSBDPSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000019232276 712625540 /nfs/dbraw/zinc/62/55/40/712625540.db2.gz LVCJKWKPVCAOBB-ZFWWWQNUSA-N 1 0 246.398 3.421 20 10 BGCDRO CN(C)c1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC000019233316 633751809 /nfs/dbraw/zinc/75/18/09/633751809.db2.gz ABVIOPIXKYEQOG-UHFFFAOYSA-N 1 0 246.398 3.423 20 10 BGCDRO CC[NH2+][C@@H](C)c1ccc2ccccc2c1O ZINC000019477722 170141823 /nfs/dbraw/zinc/14/18/23/170141823.db2.gz GQWGLFAPMXZCIC-JTQLQIEISA-N 1 0 215.296 3.216 20 10 BGCDRO CC[NH2+][C@H](C)c1ccc2ccccc2c1O ZINC000019477724 170159471 /nfs/dbraw/zinc/15/94/71/170159471.db2.gz GQWGLFAPMXZCIC-SNVBAGLBSA-N 1 0 215.296 3.216 20 10 BGCDRO C[C@@H]([NH2+]C1CCCCC1)c1ccccc1O ZINC000019878972 384548960 /nfs/dbraw/zinc/54/89/60/384548960.db2.gz KVHSBFYHIFFKHI-LLVKDONJSA-N 1 0 219.328 3.376 20 10 BGCDRO C[C@H]([NH2+]C1CCCCC1)c1ccccc1O ZINC000019878974 384548779 /nfs/dbraw/zinc/54/87/79/384548779.db2.gz KVHSBFYHIFFKHI-NSHDSACASA-N 1 0 219.328 3.376 20 10 BGCDRO CCOc1cccc(C[NH2+]C2CCCCC2)c1O ZINC000019879001 342960637 /nfs/dbraw/zinc/96/06/37/342960637.db2.gz SXRFLXPCEJNXGN-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CCCCC2)c1 ZINC000019879074 175160607 /nfs/dbraw/zinc/16/06/07/175160607.db2.gz WEQAJBBVHBYXPU-LLVKDONJSA-N 1 0 249.354 3.384 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CCCCC2)c1 ZINC000019879076 175160519 /nfs/dbraw/zinc/16/05/19/175160519.db2.gz WEQAJBBVHBYXPU-NSHDSACASA-N 1 0 249.354 3.384 20 10 BGCDRO CCOc1cccc(C[NH2+]C(C)(C)CC)c1O ZINC000019879907 590026551 /nfs/dbraw/zinc/02/65/51/590026551.db2.gz RIXRDKMFXQQSQX-UHFFFAOYSA-N 1 0 237.343 3.069 20 10 BGCDRO CCC(C)(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000019880077 168299029 /nfs/dbraw/zinc/29/90/29/168299029.db2.gz HSYMTHVLMJAVDM-UHFFFAOYSA-N 1 0 227.735 3.324 20 10 BGCDRO CC[C@@H](C)[NH2+][C@@H](CC)c1ccccc1O ZINC000019882590 342961224 /nfs/dbraw/zinc/96/12/24/342961224.db2.gz PIENCMWCHRRMAU-PWSUYJOCSA-N 1 0 207.317 3.231 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H](CC)c1ccccc1O ZINC000019882592 171345853 /nfs/dbraw/zinc/34/58/53/171345853.db2.gz PIENCMWCHRRMAU-JQWIXIFHSA-N 1 0 207.317 3.231 20 10 BGCDRO CC[C@@H](C)[NH2+][C@H](CC)c1ccccc1O ZINC000019882594 342961200 /nfs/dbraw/zinc/96/12/00/342961200.db2.gz PIENCMWCHRRMAU-ZYHUDNBSSA-N 1 0 207.317 3.231 20 10 BGCDRO CC[C@@H]([NH2+][C@@H](C)CC)c1ccccc1O ZINC000019882596 171347931 /nfs/dbraw/zinc/34/79/31/171347931.db2.gz PIENCMWCHRRMAU-CMPLNLGQSA-N 1 0 207.317 3.231 20 10 BGCDRO CC[C@@H]([NH2+]CC(C)C)c1ccccc1O ZINC000019883175 384548183 /nfs/dbraw/zinc/54/81/83/384548183.db2.gz NSGXKMOCFZYMPE-GFCCVEGCSA-N 1 0 207.317 3.089 20 10 BGCDRO CC[C@H]([NH2+]CC(C)C)c1ccccc1O ZINC000019883176 171517003 /nfs/dbraw/zinc/51/70/03/171517003.db2.gz NSGXKMOCFZYMPE-LBPRGKRZSA-N 1 0 207.317 3.089 20 10 BGCDRO CC[C@@H]([NH2+]C1CCCC1)c1ccccc1O ZINC000019883564 384548573 /nfs/dbraw/zinc/54/85/73/384548573.db2.gz WZBRHWPVIBLEBA-CYBMUJFWSA-N 1 0 219.328 3.376 20 10 BGCDRO CC[C@H]([NH2+]C1CCCC1)c1ccccc1O ZINC000019883566 342961228 /nfs/dbraw/zinc/96/12/28/342961228.db2.gz WZBRHWPVIBLEBA-ZDUSSCGKSA-N 1 0 219.328 3.376 20 10 BGCDRO CCC(CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019883713 168390363 /nfs/dbraw/zinc/39/03/63/168390363.db2.gz OVKXIKSIAIBEFZ-UHFFFAOYSA-N 1 0 220.360 3.031 20 10 BGCDRO CCC(CC)[NH2+][C@@H](C)c1ccccc1O ZINC000019883859 168390668 /nfs/dbraw/zinc/39/06/68/168390668.db2.gz JNCKHJWQNMPGAJ-JTQLQIEISA-N 1 0 207.317 3.231 20 10 BGCDRO CCC(CC)[NH2+][C@H](C)c1ccccc1O ZINC000019883860 168393043 /nfs/dbraw/zinc/39/30/43/168393043.db2.gz JNCKHJWQNMPGAJ-SNVBAGLBSA-N 1 0 207.317 3.231 20 10 BGCDRO CCOc1cccc(C[NH2+]C(CC)CC)c1O ZINC000019883884 342961211 /nfs/dbraw/zinc/96/12/11/342961211.db2.gz XMTOURMKAUAHQW-UHFFFAOYSA-N 1 0 237.343 3.069 20 10 BGCDRO CCC(CC)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019883958 168391185 /nfs/dbraw/zinc/39/11/85/168391185.db2.gz IPIIMQPSCNNSHO-JTQLQIEISA-N 1 0 237.343 3.240 20 10 BGCDRO CCC(CC)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019883959 168392768 /nfs/dbraw/zinc/39/27/68/168392768.db2.gz IPIIMQPSCNNSHO-SNVBAGLBSA-N 1 0 237.343 3.240 20 10 BGCDRO CCC(CC)[NH2+]Cc1cc(Cl)ccc1O ZINC000019883965 168389875 /nfs/dbraw/zinc/38/98/75/168389875.db2.gz MOXWTOQJBJDNME-UHFFFAOYSA-N 1 0 227.735 3.324 20 10 BGCDRO CCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000019901333 347376667 /nfs/dbraw/zinc/37/66/67/347376667.db2.gz FQYSTOIVZHAYDK-NSHDSACASA-N 1 0 207.317 3.233 20 10 BGCDRO CCCCC[NH2+][C@H](C)c1ccccc1O ZINC000019901334 347376905 /nfs/dbraw/zinc/37/69/05/347376905.db2.gz FQYSTOIVZHAYDK-LLVKDONJSA-N 1 0 207.317 3.233 20 10 BGCDRO CCCCC[NH2+]Cc1cccc(OCC)c1O ZINC000019901352 342961910 /nfs/dbraw/zinc/96/19/10/342961910.db2.gz FMNPDYRHPURTBB-UHFFFAOYSA-N 1 0 237.343 3.071 20 10 BGCDRO CCCCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019901426 342962123 /nfs/dbraw/zinc/96/21/23/342962123.db2.gz LULMJPIXCRDOPP-NSHDSACASA-N 1 0 237.343 3.242 20 10 BGCDRO CCCCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019901427 342961997 /nfs/dbraw/zinc/96/19/97/342961997.db2.gz LULMJPIXCRDOPP-LLVKDONJSA-N 1 0 237.343 3.242 20 10 BGCDRO CCCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000019901434 342962137 /nfs/dbraw/zinc/96/21/37/342962137.db2.gz OEODHGKLFNTJRB-UHFFFAOYSA-N 1 0 227.735 3.325 20 10 BGCDRO CCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019902494 633804489 /nfs/dbraw/zinc/80/44/89/633804489.db2.gz GALKIUUAZPAZDG-GFCCVEGCSA-N 1 0 220.360 3.031 20 10 BGCDRO CCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019902496 633805108 /nfs/dbraw/zinc/80/51/08/633805108.db2.gz GALKIUUAZPAZDG-LBPRGKRZSA-N 1 0 220.360 3.031 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000019902751 169371053 /nfs/dbraw/zinc/37/10/53/169371053.db2.gz SUEUMBIRSMMQLD-MNOVXSKESA-N 1 0 207.317 3.231 20 10 BGCDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000019902752 590040132 /nfs/dbraw/zinc/04/01/32/590040132.db2.gz SUEUMBIRSMMQLD-QWRGUYRKSA-N 1 0 207.317 3.231 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000019902753 169371309 /nfs/dbraw/zinc/37/13/09/169371309.db2.gz SUEUMBIRSMMQLD-GHMZBOCLSA-N 1 0 207.317 3.231 20 10 BGCDRO CCC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000019902754 590040149 /nfs/dbraw/zinc/04/01/49/590040149.db2.gz SUEUMBIRSMMQLD-WDEREUQCSA-N 1 0 207.317 3.231 20 10 BGCDRO CCC[C@@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000019902791 169371014 /nfs/dbraw/zinc/37/10/14/169371014.db2.gz MFBPZQSTLZVYOU-LLVKDONJSA-N 1 0 237.343 3.069 20 10 BGCDRO CCC[C@H](C)[NH2+]Cc1cccc(OCC)c1O ZINC000019902793 590040444 /nfs/dbraw/zinc/04/04/44/590040444.db2.gz MFBPZQSTLZVYOU-NSHDSACASA-N 1 0 237.343 3.069 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019902935 169370196 /nfs/dbraw/zinc/37/01/96/169370196.db2.gz ZUJZMMIBDWIUGT-MNOVXSKESA-N 1 0 237.343 3.240 20 10 BGCDRO CCC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019902936 590040586 /nfs/dbraw/zinc/04/05/86/590040586.db2.gz ZUJZMMIBDWIUGT-QWRGUYRKSA-N 1 0 237.343 3.240 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019902937 169371524 /nfs/dbraw/zinc/37/15/24/169371524.db2.gz ZUJZMMIBDWIUGT-GHMZBOCLSA-N 1 0 237.343 3.240 20 10 BGCDRO CCC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019902938 590040279 /nfs/dbraw/zinc/04/02/79/590040279.db2.gz ZUJZMMIBDWIUGT-WDEREUQCSA-N 1 0 237.343 3.240 20 10 BGCDRO CCC[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000019902947 169370258 /nfs/dbraw/zinc/37/02/58/169370258.db2.gz WXIMXSHABAYMEC-SECBINFHSA-N 1 0 227.735 3.324 20 10 BGCDRO CCC[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000019902948 590040303 /nfs/dbraw/zinc/04/03/03/590040303.db2.gz WXIMXSHABAYMEC-VIFPVBQESA-N 1 0 227.735 3.324 20 10 BGCDRO CCCC[NH2+][C@@H](CC)c1ccccc1O ZINC000019907079 384555792 /nfs/dbraw/zinc/55/57/92/384555792.db2.gz BFDWSHKRYKKVQX-LBPRGKRZSA-N 1 0 207.317 3.233 20 10 BGCDRO CCCC[NH2+][C@H](CC)c1ccccc1O ZINC000019907080 384557448 /nfs/dbraw/zinc/55/74/48/384557448.db2.gz BFDWSHKRYKKVQX-GFCCVEGCSA-N 1 0 207.317 3.233 20 10 BGCDRO Oc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000019908192 183303284 /nfs/dbraw/zinc/30/32/84/183303284.db2.gz LNFDRQILAGXXJA-UHFFFAOYSA-N 1 0 247.725 3.335 20 10 BGCDRO CC(C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000019911935 166864633 /nfs/dbraw/zinc/86/46/33/166864633.db2.gz OCYRRGMULUKXIK-NSHDSACASA-N 1 0 207.317 3.089 20 10 BGCDRO CC(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000019911938 590043862 /nfs/dbraw/zinc/04/38/62/590043862.db2.gz OCYRRGMULUKXIK-LLVKDONJSA-N 1 0 207.317 3.089 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC(C)C)c1 ZINC000019912047 175160600 /nfs/dbraw/zinc/16/06/00/175160600.db2.gz NPRXSZVKIMLBSX-LLVKDONJSA-N 1 0 237.343 3.098 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC(C)C)c1 ZINC000019912049 175159983 /nfs/dbraw/zinc/15/99/83/175159983.db2.gz NPRXSZVKIMLBSX-NSHDSACASA-N 1 0 237.343 3.098 20 10 BGCDRO CC(C)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000019912060 384560786 /nfs/dbraw/zinc/56/07/86/384560786.db2.gz ULIJAJQESLRUCD-UHFFFAOYSA-N 1 0 227.735 3.181 20 10 BGCDRO CC[C@@H]([NH2+]CCC(C)C)c1ccccc1O ZINC000019912079 590043974 /nfs/dbraw/zinc/04/39/74/590043974.db2.gz AZWDBQJZDMBMBN-CYBMUJFWSA-N 1 0 221.344 3.479 20 10 BGCDRO CC[C@H]([NH2+]CCC(C)C)c1ccccc1O ZINC000019912080 171518615 /nfs/dbraw/zinc/51/86/15/171518615.db2.gz AZWDBQJZDMBMBN-ZDUSSCGKSA-N 1 0 221.344 3.479 20 10 BGCDRO CC1CCC([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000019917767 168164464 /nfs/dbraw/zinc/16/44/64/168164464.db2.gz CIHSQLGTIINGCN-UHFFFAOYSA-N 1 0 246.398 3.421 20 10 BGCDRO COc1cccc(C[NH2+]C2CCC(C)CC2)c1O ZINC000019917881 175263748 /nfs/dbraw/zinc/26/37/48/175263748.db2.gz VVTFTFKXMXWIKU-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO C[C@@H]([NH2+]CCc1ccccc1)c1ccccc1O ZINC000019919818 384560806 /nfs/dbraw/zinc/56/08/06/384560806.db2.gz ITLIWTXMMBHVHD-CYBMUJFWSA-N 1 0 241.334 3.286 20 10 BGCDRO C[C@H]([NH2+]CCc1ccccc1)c1ccccc1O ZINC000019919820 384559307 /nfs/dbraw/zinc/55/93/07/384559307.db2.gz ITLIWTXMMBHVHD-ZDUSSCGKSA-N 1 0 241.334 3.286 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1O ZINC000019943619 590053553 /nfs/dbraw/zinc/05/35/53/590053553.db2.gz DMVKBHNNBJMJLU-LLVKDONJSA-N 1 0 245.297 3.382 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccccc1O ZINC000019943622 590053609 /nfs/dbraw/zinc/05/36/09/590053609.db2.gz DMVKBHNNBJMJLU-NSHDSACASA-N 1 0 245.297 3.382 20 10 BGCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019944839 176080626 /nfs/dbraw/zinc/08/06/26/176080626.db2.gz CJWGFBNTOLGPFR-CJNGLKHVSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019944842 177083081 /nfs/dbraw/zinc/08/30/81/177083081.db2.gz CJWGFBNTOLGPFR-BBRMVZONSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019944844 176088417 /nfs/dbraw/zinc/08/84/17/176088417.db2.gz CJWGFBNTOLGPFR-CZUORRHYSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019944848 177088839 /nfs/dbraw/zinc/08/88/39/177088839.db2.gz CJWGFBNTOLGPFR-XJKSGUPXSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000019945203 176080937 /nfs/dbraw/zinc/08/09/37/176080937.db2.gz KVDJYZLIGUSDMQ-YPMHNXCESA-N 1 0 219.328 3.061 20 10 BGCDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000019945206 177083662 /nfs/dbraw/zinc/08/36/62/177083662.db2.gz KVDJYZLIGUSDMQ-AAEUAGOBSA-N 1 0 219.328 3.061 20 10 BGCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000019945209 176088334 /nfs/dbraw/zinc/08/83/34/176088334.db2.gz KVDJYZLIGUSDMQ-DGCLKSJQSA-N 1 0 219.328 3.061 20 10 BGCDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000019945212 177088962 /nfs/dbraw/zinc/08/89/62/177088962.db2.gz KVDJYZLIGUSDMQ-WCQYABFASA-N 1 0 219.328 3.061 20 10 BGCDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1O ZINC000019945357 175266697 /nfs/dbraw/zinc/26/66/97/175266697.db2.gz JOZULNGHAZKAIF-WCQYABFASA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C)c1O ZINC000019945360 175268046 /nfs/dbraw/zinc/26/80/46/175268046.db2.gz JOZULNGHAZKAIF-AAEUAGOBSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1O ZINC000019945363 175266595 /nfs/dbraw/zinc/26/65/95/175266595.db2.gz JOZULNGHAZKAIF-DGCLKSJQSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@H]2CCCC[C@H]2C)c1O ZINC000019945366 175267930 /nfs/dbraw/zinc/26/79/30/175267930.db2.gz JOZULNGHAZKAIF-YPMHNXCESA-N 1 0 249.354 3.069 20 10 BGCDRO C[C@@H]([NH2+]CCc1cccs1)c1ccccc1O ZINC000019948818 590054623 /nfs/dbraw/zinc/05/46/23/590054623.db2.gz FRHUOFVLNAKUGQ-LLVKDONJSA-N 1 0 247.363 3.347 20 10 BGCDRO C[C@H]([NH2+]CCc1cccs1)c1ccccc1O ZINC000019948823 590054420 /nfs/dbraw/zinc/05/44/20/590054420.db2.gz FRHUOFVLNAKUGQ-NSHDSACASA-N 1 0 247.363 3.347 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccccc1F)c1ccccc1O ZINC000019949923 590054688 /nfs/dbraw/zinc/05/46/88/590054688.db2.gz QMOWQGQADJGOLK-LLVKDONJSA-N 1 0 245.297 3.382 20 10 BGCDRO C[C@H]([NH2+]Cc1ccccc1F)c1ccccc1O ZINC000019949927 590054801 /nfs/dbraw/zinc/05/48/01/590054801.db2.gz QMOWQGQADJGOLK-NSHDSACASA-N 1 0 245.297 3.382 20 10 BGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)[C@@H]1C ZINC000019963217 176123415 /nfs/dbraw/zinc/12/34/15/176123415.db2.gz PRTRSDQLFTYWPX-YRGRVCCFSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)[C@@H]1C ZINC000019963219 176144653 /nfs/dbraw/zinc/14/46/53/176144653.db2.gz PRTRSDQLFTYWPX-BZPMIXESSA-N 1 0 233.355 3.307 20 10 BGCDRO CCC(CC)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020001653 590066500 /nfs/dbraw/zinc/06/65/00/590066500.db2.gz NLAHTWAECWIOIN-UHFFFAOYSA-N 1 0 234.387 3.278 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccco2)c(O)c1 ZINC000020084033 384573300 /nfs/dbraw/zinc/57/33/00/384573300.db2.gz PXDFUMMPANJJCE-LLVKDONJSA-N 1 0 231.295 3.144 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccco2)c(O)c1 ZINC000020084036 178893345 /nfs/dbraw/zinc/89/33/45/178893345.db2.gz PXDFUMMPANJJCE-NSHDSACASA-N 1 0 231.295 3.144 20 10 BGCDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000020085690 347405406 /nfs/dbraw/zinc/40/54/06/347405406.db2.gz XHSHAPLICALHAP-MNOVXSKESA-N 1 0 207.317 3.150 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000020085691 171345887 /nfs/dbraw/zinc/34/58/87/171345887.db2.gz XHSHAPLICALHAP-QWRGUYRKSA-N 1 0 207.317 3.150 20 10 BGCDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020085692 347405974 /nfs/dbraw/zinc/40/59/74/347405974.db2.gz XHSHAPLICALHAP-GHMZBOCLSA-N 1 0 207.317 3.150 20 10 BGCDRO CC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020085693 171347899 /nfs/dbraw/zinc/34/78/99/171347899.db2.gz XHSHAPLICALHAP-WDEREUQCSA-N 1 0 207.317 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)C)c(O)c1 ZINC000020085856 342968507 /nfs/dbraw/zinc/96/85/07/342968507.db2.gz RVRSSLQZZNJONS-NSHDSACASA-N 1 0 207.317 3.007 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)C)c(O)c1 ZINC000020085858 188352060 /nfs/dbraw/zinc/35/20/60/188352060.db2.gz RVRSSLQZZNJONS-LLVKDONJSA-N 1 0 207.317 3.007 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCCC2)c(O)c1 ZINC000020085961 384574089 /nfs/dbraw/zinc/57/40/89/384574089.db2.gz IVVXIEYIJFFVGR-LLVKDONJSA-N 1 0 219.328 3.294 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C2CCCC2)c(O)c1 ZINC000020085963 178888167 /nfs/dbraw/zinc/88/81/67/178888167.db2.gz IVVXIEYIJFFVGR-NSHDSACASA-N 1 0 219.328 3.294 20 10 BGCDRO c1cc(N2CCCCC2)ccc1C[NH2+]CC1CC1 ZINC000020086210 132329791 /nfs/dbraw/zinc/32/97/91/132329791.db2.gz RDFNYGQIRNZGGS-UHFFFAOYSA-N 1 0 244.382 3.177 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+]CC2CC2)cc1 ZINC000020086214 633808713 /nfs/dbraw/zinc/80/87/13/633808713.db2.gz SHLDTIJRRGVKGI-UHFFFAOYSA-N 1 0 232.371 3.032 20 10 BGCDRO CCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000020088087 385412285 /nfs/dbraw/zinc/41/22/85/385412285.db2.gz CGXTWQBWFBPBOL-NSHDSACASA-N 1 0 207.317 3.151 20 10 BGCDRO CCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020088089 385412936 /nfs/dbraw/zinc/41/29/36/385412936.db2.gz CGXTWQBWFBPBOL-LLVKDONJSA-N 1 0 207.317 3.151 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCC(C)C)c(O)c1 ZINC000020088709 590073105 /nfs/dbraw/zinc/07/31/05/590073105.db2.gz VFXWGBCSAKDDJJ-LBPRGKRZSA-N 1 0 221.344 3.397 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(C)C)c(O)c1 ZINC000020088711 590072718 /nfs/dbraw/zinc/07/27/18/590072718.db2.gz VFXWGBCSAKDDJJ-GFCCVEGCSA-N 1 0 221.344 3.397 20 10 BGCDRO COc1ccc(O)c(C[NH2+]C2CCC(C)CC2)c1 ZINC000020089454 590072884 /nfs/dbraw/zinc/07/28/84/590072884.db2.gz IEDYFKXVBIBDHW-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000020090820 175159216 /nfs/dbraw/zinc/15/92/16/175159216.db2.gz ILFUDINXEAYTBD-SMDDNHRTSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000020090822 175159342 /nfs/dbraw/zinc/15/93/42/175159342.db2.gz ILFUDINXEAYTBD-FZMZJTMJSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000020090824 175159228 /nfs/dbraw/zinc/15/92/28/175159228.db2.gz ILFUDINXEAYTBD-BXUZGUMPSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000020090826 175158867 /nfs/dbraw/zinc/15/88/67/175158867.db2.gz ILFUDINXEAYTBD-RISCZKNCSA-N 1 0 249.354 3.069 20 10 BGCDRO Oc1ccccc1C[NH2+]CCC1=CCCCC1 ZINC000020093647 183301744 /nfs/dbraw/zinc/30/17/44/183301744.db2.gz VIMBUJCEBGTJER-UHFFFAOYSA-N 1 0 231.339 3.372 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccncc1 ZINC000020121207 583613351 /nfs/dbraw/zinc/61/33/51/583613351.db2.gz RFYCHCNWYXTJOP-NEPJUHHUSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccncc1 ZINC000020121209 583613284 /nfs/dbraw/zinc/61/32/84/583613284.db2.gz RFYCHCNWYXTJOP-RYUDHWBXSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccncc1 ZINC000020121210 583613257 /nfs/dbraw/zinc/61/32/57/583613257.db2.gz RFYCHCNWYXTJOP-VXGBXAGGSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1O ZINC000020121211 583613329 /nfs/dbraw/zinc/61/33/29/583613329.db2.gz RFYCHCNWYXTJOP-NWDGAFQWSA-N 1 0 242.322 3.199 20 10 BGCDRO Oc1ccccc1C[NH2+]C1CCCCCC1 ZINC000020122605 183301769 /nfs/dbraw/zinc/30/17/69/183301769.db2.gz WIQVXLFLTVJRAH-UHFFFAOYSA-N 1 0 219.328 3.205 20 10 BGCDRO COc1cccc(C[NH2+]C2CCCCCC2)c1O ZINC000020122620 175263897 /nfs/dbraw/zinc/26/38/97/175263897.db2.gz XWXYBZIMLQPPGB-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO COc1ccc(O)c(C[NH2+]C2CCCCCC2)c1 ZINC000020122675 175159117 /nfs/dbraw/zinc/15/91/17/175159117.db2.gz QGQFKUIKCDYDLP-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO Oc1ccccc1C[NH2+]CCCc1ccccc1 ZINC000020122703 183302209 /nfs/dbraw/zinc/30/22/09/183302209.db2.gz HEMDSEYGZFYNNA-UHFFFAOYSA-N 1 0 241.334 3.115 20 10 BGCDRO CC(C)CC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000020122896 590076193 /nfs/dbraw/zinc/07/61/93/590076193.db2.gz ZPOKOTUYSHFSEM-GFCCVEGCSA-N 1 0 221.344 3.307 20 10 BGCDRO CC(C)CC[C@H](C)[NH2+]Cc1ccccc1O ZINC000020122897 590076244 /nfs/dbraw/zinc/07/62/44/590076244.db2.gz ZPOKOTUYSHFSEM-LBPRGKRZSA-N 1 0 221.344 3.307 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccn1 ZINC000020123340 590076251 /nfs/dbraw/zinc/07/62/51/590076251.db2.gz GKPPIESNZBZBAR-NWDGAFQWSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccccn1 ZINC000020123341 590076114 /nfs/dbraw/zinc/07/61/14/590076114.db2.gz GKPPIESNZBZBAR-RYUDHWBXSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccccn1 ZINC000020123342 590076324 /nfs/dbraw/zinc/07/63/24/590076324.db2.gz GKPPIESNZBZBAR-VXGBXAGGSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccccc1O ZINC000020123343 590076896 /nfs/dbraw/zinc/07/68/96/590076896.db2.gz GKPPIESNZBZBAR-NEPJUHHUSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cccnc1 ZINC000020127570 342970567 /nfs/dbraw/zinc/97/05/67/342970567.db2.gz UUZCDGQBODQUCY-NEPJUHHUSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cccnc1 ZINC000020127571 384580713 /nfs/dbraw/zinc/58/07/13/384580713.db2.gz UUZCDGQBODQUCY-RYUDHWBXSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cccnc1 ZINC000020127572 342970496 /nfs/dbraw/zinc/97/04/96/342970496.db2.gz UUZCDGQBODQUCY-VXGBXAGGSA-N 1 0 242.322 3.199 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1O ZINC000020127573 342970589 /nfs/dbraw/zinc/97/05/89/342970589.db2.gz UUZCDGQBODQUCY-NWDGAFQWSA-N 1 0 242.322 3.199 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000020129708 183303478 /nfs/dbraw/zinc/30/34/78/183303478.db2.gz FAISBBFWDXHDQK-OAHLLOKOSA-N 1 0 239.318 3.169 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C(C2CC2)C2CC2)cc1 ZINC000020130632 172552966 /nfs/dbraw/zinc/55/29/66/172552966.db2.gz FMVLIKSVUXHDCA-UHFFFAOYSA-N 1 0 244.382 3.031 20 10 BGCDRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1O ZINC000020130895 384582329 /nfs/dbraw/zinc/58/23/29/384582329.db2.gz CNCJFIOULABBHD-SNVBAGLBSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccccc1O ZINC000020130899 384581629 /nfs/dbraw/zinc/58/16/29/384581629.db2.gz CNCJFIOULABBHD-JTQLQIEISA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@@H]([NH2+]Cc1cccs1)c1ccccc1O ZINC000020139012 590078594 /nfs/dbraw/zinc/07/85/94/590078594.db2.gz LSVZLNOLTKDRKQ-SNVBAGLBSA-N 1 0 233.336 3.305 20 10 BGCDRO C[C@H]([NH2+]Cc1cccs1)c1ccccc1O ZINC000020139015 590078582 /nfs/dbraw/zinc/07/85/82/590078582.db2.gz LSVZLNOLTKDRKQ-JTQLQIEISA-N 1 0 233.336 3.305 20 10 BGCDRO CC[C@@H]([NH2+]Cc1cccnc1)c1ccccc1O ZINC000020141041 342971723 /nfs/dbraw/zinc/97/17/23/342971723.db2.gz MCRFBKOVFAEWNM-CQSZACIVSA-N 1 0 242.322 3.028 20 10 BGCDRO CC[C@H]([NH2+]Cc1cccnc1)c1ccccc1O ZINC000020141043 342971739 /nfs/dbraw/zinc/97/17/39/342971739.db2.gz MCRFBKOVFAEWNM-AWEZNQCLSA-N 1 0 242.322 3.028 20 10 BGCDRO CCCCCC[NH2+]Cc1cccc(OC)c1O ZINC000020143590 342971699 /nfs/dbraw/zinc/97/16/99/342971699.db2.gz PRBORWIZNTXWNG-UHFFFAOYSA-N 1 0 237.343 3.071 20 10 BGCDRO CCCCCC[NH2+]Cc1cc(OC)ccc1O ZINC000020143705 590078280 /nfs/dbraw/zinc/07/82/80/590078280.db2.gz VWFIPSUWFSPPMH-UHFFFAOYSA-N 1 0 237.343 3.071 20 10 BGCDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccccc1O ZINC000020144661 175688032 /nfs/dbraw/zinc/68/80/32/175688032.db2.gz MNDSROUSEBXDGH-LBPRGKRZSA-N 1 0 245.322 3.096 20 10 BGCDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccccc1O ZINC000020144663 342971697 /nfs/dbraw/zinc/97/16/97/342971697.db2.gz MNDSROUSEBXDGH-GFCCVEGCSA-N 1 0 245.322 3.096 20 10 BGCDRO CN(C)c1ccc(C[NH2+]Cc2ccsc2)cc1 ZINC000020146016 342972091 /nfs/dbraw/zinc/97/20/91/342972091.db2.gz DGYUCFJKJADGAA-UHFFFAOYSA-N 1 0 246.379 3.104 20 10 BGCDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020146042 590078268 /nfs/dbraw/zinc/07/82/68/590078268.db2.gz FBNWBURGVWAIJQ-CYBMUJFWSA-N 1 0 234.387 3.277 20 10 BGCDRO CC(C)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020146044 590078366 /nfs/dbraw/zinc/07/83/66/590078366.db2.gz FBNWBURGVWAIJQ-ZDUSSCGKSA-N 1 0 234.387 3.277 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000020146062 384586132 /nfs/dbraw/zinc/58/61/32/384586132.db2.gz LKPMKPBJMYLZOZ-GFCCVEGCSA-N 1 0 244.338 3.196 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccco1 ZINC000020146063 384585201 /nfs/dbraw/zinc/58/52/01/384585201.db2.gz LKPMKPBJMYLZOZ-LBPRGKRZSA-N 1 0 244.338 3.196 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000020146127 590078311 /nfs/dbraw/zinc/07/83/11/590078311.db2.gz KPLRGPVXPAUTCG-AWEZNQCLSA-N 1 0 244.382 3.199 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000020146129 590078295 /nfs/dbraw/zinc/07/82/95/590078295.db2.gz KPLRGPVXPAUTCG-CQSZACIVSA-N 1 0 244.382 3.199 20 10 BGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020146144 643055789 /nfs/dbraw/zinc/05/57/89/643055789.db2.gz JFFDUEHWYMOTOG-CHWSQXEVSA-N 1 0 234.387 3.277 20 10 BGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020146145 643056717 /nfs/dbraw/zinc/05/67/17/643056717.db2.gz JFFDUEHWYMOTOG-QWHCGFSZSA-N 1 0 234.387 3.277 20 10 BGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020146147 643056192 /nfs/dbraw/zinc/05/61/92/643056192.db2.gz JFFDUEHWYMOTOG-OLZOCXBDSA-N 1 0 234.387 3.277 20 10 BGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000020146148 643056570 /nfs/dbraw/zinc/05/65/70/643056570.db2.gz JFFDUEHWYMOTOG-STQMWFEESA-N 1 0 234.387 3.277 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000020204119 590085771 /nfs/dbraw/zinc/08/57/71/590085771.db2.gz FBCNLZXBNDQJSC-CYBMUJFWSA-N 1 0 243.306 3.152 20 10 BGCDRO Oc1ccccc1C[NH2+][C@H]1CCCc2occc21 ZINC000020204122 590085478 /nfs/dbraw/zinc/08/54/78/590085478.db2.gz FBCNLZXBNDQJSC-ZDUSSCGKSA-N 1 0 243.306 3.152 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1O ZINC000020207289 342977169 /nfs/dbraw/zinc/97/71/69/342977169.db2.gz ABUHNKTXXFUPTP-WHOFXGATSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1O ZINC000020207296 342977092 /nfs/dbraw/zinc/97/70/92/342977092.db2.gz ABUHNKTXXFUPTP-ZLDLUXBVSA-N 1 0 249.354 3.000 20 10 BGCDRO Oc1ccccc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000020209634 183303380 /nfs/dbraw/zinc/30/33/80/183303380.db2.gz BICATIXTJALKMG-UHFFFAOYSA-N 1 0 247.725 3.335 20 10 BGCDRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccccc1O ZINC000020473421 590115776 /nfs/dbraw/zinc/11/57/76/590115776.db2.gz WAYGDFDWXUMIKY-LLVKDONJSA-N 1 0 245.297 3.382 20 10 BGCDRO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccccc1O ZINC000020473422 590116008 /nfs/dbraw/zinc/11/60/08/590116008.db2.gz WAYGDFDWXUMIKY-NSHDSACASA-N 1 0 245.297 3.382 20 10 BGCDRO CC[C@@H]([NH2+][C@@H](C)C(C)C)c1ccccc1O ZINC000020522939 342989620 /nfs/dbraw/zinc/98/96/20/342989620.db2.gz PCOMGIXWAJZOFT-WCQYABFASA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)C(C)C)c1ccccc1O ZINC000020522940 342989366 /nfs/dbraw/zinc/98/93/66/342989366.db2.gz PCOMGIXWAJZOFT-AAEUAGOBSA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@@H]([NH2+][C@H](C)C(C)C)c1ccccc1O ZINC000020522942 342989642 /nfs/dbraw/zinc/98/96/42/342989642.db2.gz PCOMGIXWAJZOFT-DGCLKSJQSA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)C(C)C)c1ccccc1O ZINC000020522944 342989610 /nfs/dbraw/zinc/98/96/10/342989610.db2.gz PCOMGIXWAJZOFT-YPMHNXCESA-N 1 0 221.344 3.477 20 10 BGCDRO CC(C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000020523029 167381649 /nfs/dbraw/zinc/38/16/49/167381649.db2.gz LXUCOYWDZCWDIN-SECBINFHSA-N 1 0 227.735 3.180 20 10 BGCDRO CC(C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1O ZINC000020523031 187253878 /nfs/dbraw/zinc/25/38/78/187253878.db2.gz LXUCOYWDZCWDIN-VIFPVBQESA-N 1 0 227.735 3.180 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000020523048 175159851 /nfs/dbraw/zinc/15/98/51/175159851.db2.gz WWXAQNBMJSEFQO-WDEREUQCSA-N 1 0 237.343 3.096 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000020523050 175160448 /nfs/dbraw/zinc/16/04/48/175160448.db2.gz WWXAQNBMJSEFQO-QWRGUYRKSA-N 1 0 237.343 3.096 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000020523051 175159972 /nfs/dbraw/zinc/15/99/72/175159972.db2.gz WWXAQNBMJSEFQO-GHMZBOCLSA-N 1 0 237.343 3.096 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000020523053 175160538 /nfs/dbraw/zinc/16/05/38/175160538.db2.gz WWXAQNBMJSEFQO-MNOVXSKESA-N 1 0 237.343 3.096 20 10 BGCDRO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000020523262 167384584 /nfs/dbraw/zinc/38/45/84/167384584.db2.gz XCTGGXVICDJVFQ-MNOVXSKESA-N 1 0 207.317 3.087 20 10 BGCDRO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000020523263 342989601 /nfs/dbraw/zinc/98/96/01/342989601.db2.gz XCTGGXVICDJVFQ-QWRGUYRKSA-N 1 0 207.317 3.087 20 10 BGCDRO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000020523265 167385165 /nfs/dbraw/zinc/38/51/65/167385165.db2.gz XCTGGXVICDJVFQ-GHMZBOCLSA-N 1 0 207.317 3.087 20 10 BGCDRO CC(C)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000020523266 342989528 /nfs/dbraw/zinc/98/95/28/342989528.db2.gz XCTGGXVICDJVFQ-WDEREUQCSA-N 1 0 207.317 3.087 20 10 BGCDRO CC(C)C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000021788655 132331951 /nfs/dbraw/zinc/33/19/51/132331951.db2.gz QPUZNTMTRSNDSD-UHFFFAOYSA-N 1 0 246.398 3.423 20 10 BGCDRO CCC[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021804620 590233939 /nfs/dbraw/zinc/23/39/39/590233939.db2.gz UPOJXDWXWWJTIQ-CYBMUJFWSA-N 1 0 234.387 3.278 20 10 BGCDRO CCC[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000021804623 590234065 /nfs/dbraw/zinc/23/40/65/590234065.db2.gz UPOJXDWXWWJTIQ-ZDUSSCGKSA-N 1 0 234.387 3.278 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccco1)c1ccccc1O ZINC000021957731 590263089 /nfs/dbraw/zinc/26/30/89/590263089.db2.gz COXPHHDABCKXJW-CYBMUJFWSA-N 1 0 231.295 3.226 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccco1)c1ccccc1O ZINC000021957735 590263042 /nfs/dbraw/zinc/26/30/42/590263042.db2.gz COXPHHDABCKXJW-ZDUSSCGKSA-N 1 0 231.295 3.226 20 10 BGCDRO C[C@@H]([NH2+]C1CC1)c1ccc2ccccc2c1O ZINC000022219063 384744278 /nfs/dbraw/zinc/74/42/78/384744278.db2.gz WFIXACVVXZYYRL-SNVBAGLBSA-N 1 0 227.307 3.358 20 10 BGCDRO C[C@H]([NH2+]C1CC1)c1ccc2ccccc2c1O ZINC000022219065 384748062 /nfs/dbraw/zinc/74/80/62/384748062.db2.gz WFIXACVVXZYYRL-JTQLQIEISA-N 1 0 227.307 3.358 20 10 BGCDRO CCCC[N@H+](CC)Cc1ccccc1O ZINC000028221904 386161761 /nfs/dbraw/zinc/16/17/61/386161761.db2.gz GGFTWFWWTGAKSI-UHFFFAOYSA-N 1 0 207.317 3.014 20 10 BGCDRO CCC[NH+](CCC)Cc1ccccc1O ZINC000028221937 169149556 /nfs/dbraw/zinc/14/95/56/169149556.db2.gz GQINZWSENUXIOW-UHFFFAOYSA-N 1 0 207.317 3.014 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH+]2CCCCC2)cc1 ZINC000033394635 642123255 /nfs/dbraw/zinc/12/32/55/642123255.db2.gz NIHIUSZWZIYLQB-SREVYHEPSA-N 1 0 244.382 3.252 20 10 BGCDRO CCCN(CCC)c1ccc(C[NH2+]CC)cc1 ZINC000034652216 639573216 /nfs/dbraw/zinc/57/32/16/639573216.db2.gz UQAZLFFUNVIRLV-UHFFFAOYSA-N 1 0 234.387 3.423 20 10 BGCDRO CCCN(CC(C)C)c1ccc(C[NH3+])cc1 ZINC000034654609 640257860 /nfs/dbraw/zinc/25/78/60/640257860.db2.gz ORXVVBVXJGRIOC-UHFFFAOYSA-N 1 0 220.360 3.018 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CCCC1 ZINC000034654680 169182613 /nfs/dbraw/zinc/18/26/13/169182613.db2.gz KLNWDIBIGKJCCO-UHFFFAOYSA-N 1 0 232.371 3.304 20 10 BGCDRO CC[NH2+][C@@H](C)c1ccc(N2CCCCC2)cc1 ZINC000034666823 132336707 /nfs/dbraw/zinc/33/67/07/132336707.db2.gz FOSAMHAEDGYRQH-ZDUSSCGKSA-N 1 0 232.371 3.347 20 10 BGCDRO CC[NH2+][C@H](C)c1ccc(N2CCCCC2)cc1 ZINC000034666824 535515795 /nfs/dbraw/zinc/51/57/95/535515795.db2.gz FOSAMHAEDGYRQH-CYBMUJFWSA-N 1 0 232.371 3.347 20 10 BGCDRO CC(C)[NH2+]Cc1ccc(N2CCC(C)CC2)cc1 ZINC000034823002 132336684 /nfs/dbraw/zinc/33/66/84/132336684.db2.gz FGNXXGHFQRGLEW-UHFFFAOYSA-N 1 0 246.398 3.421 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+]C(C)C)cc1F ZINC000034823084 188284723 /nfs/dbraw/zinc/28/47/23/188284723.db2.gz NZFPGVPVSIDGJT-UHFFFAOYSA-N 1 0 238.350 3.170 20 10 BGCDRO CCC[NH2+]Cc1ccc(N(CC)CC)c(F)c1 ZINC000034823085 635823899 /nfs/dbraw/zinc/82/38/99/635823899.db2.gz JHYDWXMOBJMJPE-UHFFFAOYSA-N 1 0 238.350 3.172 20 10 BGCDRO CCC[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000034840988 645707662 /nfs/dbraw/zinc/70/76/62/645707662.db2.gz FLCRLMBNNMEGKR-LBPRGKRZSA-N 1 0 220.360 3.203 20 10 BGCDRO CCC[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000034840990 645706558 /nfs/dbraw/zinc/70/65/58/645706558.db2.gz FLCRLMBNNMEGKR-GFCCVEGCSA-N 1 0 220.360 3.203 20 10 BGCDRO CCC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052326 645896256 /nfs/dbraw/zinc/89/62/56/645896256.db2.gz NSGUVLKDGDRYCP-GFCCVEGCSA-N 1 0 221.344 3.282 20 10 BGCDRO CCC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052327 645895125 /nfs/dbraw/zinc/89/51/25/645895125.db2.gz NSGUVLKDGDRYCP-LBPRGKRZSA-N 1 0 221.344 3.282 20 10 BGCDRO COc1ccc(C[NH2+]CCC(C)C)cc1C ZINC000035052474 645895831 /nfs/dbraw/zinc/89/58/31/645895831.db2.gz ROPMUIVDVAFORY-UHFFFAOYSA-N 1 0 221.344 3.139 20 10 BGCDRO CCCCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052522 645895665 /nfs/dbraw/zinc/89/56/65/645895665.db2.gz WPLJQORGTWGEQG-UHFFFAOYSA-N 1 0 221.344 3.283 20 10 BGCDRO COc1ccc(C[NH2+]Cc2ccccc2)cc1C ZINC000035052578 175107726 /nfs/dbraw/zinc/10/77/26/175107726.db2.gz ISVSDLPFHLVCEK-UHFFFAOYSA-N 1 0 241.334 3.293 20 10 BGCDRO COc1ccc(C[NH2+]Cc2cccs2)cc1C ZINC000035052653 175108131 /nfs/dbraw/zinc/10/81/31/175108131.db2.gz UOVFZJGBKQHKAV-UHFFFAOYSA-N 1 0 247.363 3.355 20 10 BGCDRO COc1ccc(C[NH2+][C@@H](C)C(C)C)cc1C ZINC000035052709 175108754 /nfs/dbraw/zinc/10/87/54/175108754.db2.gz DXKOGUIEOXZUFL-LBPRGKRZSA-N 1 0 221.344 3.138 20 10 BGCDRO COc1ccc(C[NH2+][C@H](C)C(C)C)cc1C ZINC000035052710 175110959 /nfs/dbraw/zinc/11/09/59/175110959.db2.gz DXKOGUIEOXZUFL-GFCCVEGCSA-N 1 0 221.344 3.138 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+][C@@H](C)C2CC2)cc1 ZINC000035136387 636855661 /nfs/dbraw/zinc/85/56/61/636855661.db2.gz CVNPSOPSFJWZAB-ZDUSSCGKSA-N 1 0 246.398 3.421 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C2CC2)cc1 ZINC000035136389 636855625 /nfs/dbraw/zinc/85/56/25/636855625.db2.gz CVNPSOPSFJWZAB-CYBMUJFWSA-N 1 0 246.398 3.421 20 10 BGCDRO COc1ccc(C[NH2+]CC2CCCC2)cc1C ZINC000035253171 646126255 /nfs/dbraw/zinc/12/62/55/646126255.db2.gz KMUGRZARZYCZTG-UHFFFAOYSA-N 1 0 233.355 3.283 20 10 BGCDRO c1cc(N2CCCC2)ccc1C[NH2+]C1CCCC1 ZINC000035275596 183356088 /nfs/dbraw/zinc/35/60/88/183356088.db2.gz HTPBBKCFZYQEJF-UHFFFAOYSA-N 1 0 244.382 3.319 20 10 BGCDRO C1=CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000035404024 646385321 /nfs/dbraw/zinc/38/53/21/646385321.db2.gz AIUFHXUCNGACLY-ZDUSSCGKSA-N 1 0 243.350 3.067 20 10 BGCDRO C1=CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000035404027 646384623 /nfs/dbraw/zinc/38/46/23/646384623.db2.gz AIUFHXUCNGACLY-CYBMUJFWSA-N 1 0 243.350 3.067 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccco2)c1 ZINC000035628439 383865400 /nfs/dbraw/zinc/86/54/00/383865400.db2.gz NPXGNJINUGCUNL-LLVKDONJSA-N 1 0 231.295 3.144 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccco2)c1 ZINC000035628440 383865137 /nfs/dbraw/zinc/86/51/37/383865137.db2.gz NPXGNJINUGCUNL-NSHDSACASA-N 1 0 231.295 3.144 20 10 BGCDRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628473 384419093 /nfs/dbraw/zinc/41/90/93/384419093.db2.gz XJGSUJSXFRRDHY-MNOVXSKESA-N 1 0 207.317 3.150 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628474 171345996 /nfs/dbraw/zinc/34/59/96/171345996.db2.gz XJGSUJSXFRRDHY-QWRGUYRKSA-N 1 0 207.317 3.150 20 10 BGCDRO CC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628475 384418553 /nfs/dbraw/zinc/41/85/53/384418553.db2.gz XJGSUJSXFRRDHY-GHMZBOCLSA-N 1 0 207.317 3.150 20 10 BGCDRO CC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628476 171347908 /nfs/dbraw/zinc/34/79/08/171347908.db2.gz XJGSUJSXFRRDHY-WDEREUQCSA-N 1 0 207.317 3.150 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)C)c1 ZINC000035628477 384418419 /nfs/dbraw/zinc/41/84/19/384418419.db2.gz YPXGZIWAFFTKEE-LLVKDONJSA-N 1 0 207.317 3.007 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)C)c1 ZINC000035628478 384418308 /nfs/dbraw/zinc/41/83/08/384418308.db2.gz YPXGZIWAFFTKEE-NSHDSACASA-N 1 0 207.317 3.007 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CCCC2)c1 ZINC000035628479 383867338 /nfs/dbraw/zinc/86/73/38/383867338.db2.gz MKJYESNQOZSFAD-LLVKDONJSA-N 1 0 219.328 3.294 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CCCC2)c1 ZINC000035628480 383866484 /nfs/dbraw/zinc/86/64/84/383866484.db2.gz MKJYESNQOZSFAD-NSHDSACASA-N 1 0 219.328 3.294 20 10 BGCDRO CCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628561 384418621 /nfs/dbraw/zinc/41/86/21/384418621.db2.gz ROGNZCHFXSTFJX-NSHDSACASA-N 1 0 207.317 3.151 20 10 BGCDRO CCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628562 384417727 /nfs/dbraw/zinc/41/77/27/384417727.db2.gz ROGNZCHFXSTFJX-LLVKDONJSA-N 1 0 207.317 3.151 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(C)C)c1 ZINC000035628593 639765314 /nfs/dbraw/zinc/76/53/14/639765314.db2.gz SQGHRHLSWLAQAM-GFCCVEGCSA-N 1 0 221.344 3.397 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(C)C)c1 ZINC000035628594 639765505 /nfs/dbraw/zinc/76/55/05/639765505.db2.gz SQGHRHLSWLAQAM-LBPRGKRZSA-N 1 0 221.344 3.397 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CCC2)c1 ZINC000035629039 383864801 /nfs/dbraw/zinc/86/48/01/383864801.db2.gz XRFRHRBATSSYEB-LLVKDONJSA-N 1 0 219.328 3.151 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2CCC2)c1 ZINC000035629040 178803949 /nfs/dbraw/zinc/80/39/49/178803949.db2.gz XRFRHRBATSSYEB-NSHDSACASA-N 1 0 219.328 3.151 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCc2ccco2)c1 ZINC000035661404 639811015 /nfs/dbraw/zinc/81/10/15/639811015.db2.gz ZMBABNJTVLAUIS-GFCCVEGCSA-N 1 0 245.322 3.187 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCc2ccco2)c1 ZINC000035661405 639810673 /nfs/dbraw/zinc/81/06/73/639810673.db2.gz ZMBABNJTVLAUIS-LBPRGKRZSA-N 1 0 245.322 3.187 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccco2)c(O)c1 ZINC000035661508 639810674 /nfs/dbraw/zinc/81/06/74/639810674.db2.gz WEVFGKVTMGEQPW-GFCCVEGCSA-N 1 0 245.322 3.187 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccco2)c(O)c1 ZINC000035661509 639811017 /nfs/dbraw/zinc/81/10/17/639811017.db2.gz WEVFGKVTMGEQPW-LBPRGKRZSA-N 1 0 245.322 3.187 20 10 BGCDRO CC[C@H]([NH2+]CCc1ccco1)c1ccccc1O ZINC000035661617 639811076 /nfs/dbraw/zinc/81/10/76/639811076.db2.gz CLZISHQHKZTQOX-AWEZNQCLSA-N 1 0 245.322 3.269 20 10 BGCDRO CC[C@@H]([NH2+]CCc1ccco1)c1ccccc1O ZINC000035661618 639810691 /nfs/dbraw/zinc/81/06/91/639810691.db2.gz CLZISHQHKZTQOX-CQSZACIVSA-N 1 0 245.322 3.269 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000035732733 711702952 /nfs/dbraw/zinc/70/29/52/711702952.db2.gz OLGAOKDTAJDAHG-WDEREUQCSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CC2)c1 ZINC000035732734 711703069 /nfs/dbraw/zinc/70/30/69/711703069.db2.gz OLGAOKDTAJDAHG-QWRGUYRKSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000035732735 383871978 /nfs/dbraw/zinc/87/19/78/383871978.db2.gz OLGAOKDTAJDAHG-GHMZBOCLSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CC2)c1 ZINC000035732736 383873025 /nfs/dbraw/zinc/87/30/25/383873025.db2.gz OLGAOKDTAJDAHG-MNOVXSKESA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)c(O)c1 ZINC000035732931 383873838 /nfs/dbraw/zinc/87/38/38/383873838.db2.gz MIRYEBRRJFXYMD-WDEREUQCSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)c(O)c1 ZINC000035732932 383873342 /nfs/dbraw/zinc/87/33/42/383873342.db2.gz MIRYEBRRJFXYMD-QWRGUYRKSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)c(O)c1 ZINC000035732933 383872587 /nfs/dbraw/zinc/87/25/87/383872587.db2.gz MIRYEBRRJFXYMD-GHMZBOCLSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)c(O)c1 ZINC000035732934 383873799 /nfs/dbraw/zinc/87/37/99/383873799.db2.gz MIRYEBRRJFXYMD-MNOVXSKESA-N 1 0 219.328 3.150 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)C1CC1)c1ccccc1O ZINC000035733125 343302677 /nfs/dbraw/zinc/30/26/77/343302677.db2.gz HUQJRDXMAHAQSW-GWCFXTLKSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]([NH2+][C@@H](C)C1CC1)c1ccccc1O ZINC000035733126 343302779 /nfs/dbraw/zinc/30/27/79/343302779.db2.gz HUQJRDXMAHAQSW-GXFFZTMASA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)C1CC1)c1ccccc1O ZINC000035733127 343302785 /nfs/dbraw/zinc/30/27/85/343302785.db2.gz HUQJRDXMAHAQSW-MFKMUULPSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]([NH2+][C@H](C)C1CC1)c1ccccc1O ZINC000035733128 343302846 /nfs/dbraw/zinc/30/28/46/343302846.db2.gz HUQJRDXMAHAQSW-ZWNOBZJWSA-N 1 0 219.328 3.231 20 10 BGCDRO CCCCC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000036792116 712495725 /nfs/dbraw/zinc/49/57/25/712495725.db2.gz OMUUPEWPFNSJHE-GFCCVEGCSA-N 1 0 221.344 3.451 20 10 BGCDRO CCCCC[C@H](C)[NH2+]Cc1ccccc1O ZINC000036792117 712495661 /nfs/dbraw/zinc/49/56/61/712495661.db2.gz OMUUPEWPFNSJHE-LBPRGKRZSA-N 1 0 221.344 3.451 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000036984378 712525566 /nfs/dbraw/zinc/52/55/66/712525566.db2.gz DFWLINLZVJRUDA-LBPRGKRZSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000036984379 712525644 /nfs/dbraw/zinc/52/56/44/712525644.db2.gz DFWLINLZVJRUDA-GFCCVEGCSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccccc1O ZINC000036994068 712528811 /nfs/dbraw/zinc/52/88/11/712528811.db2.gz GFWMUBGLGDBMEF-RYUDHWBXSA-N 1 0 245.322 3.267 20 10 BGCDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccccc1O ZINC000036994070 712528904 /nfs/dbraw/zinc/52/89/04/712528904.db2.gz GFWMUBGLGDBMEF-NEPJUHHUSA-N 1 0 245.322 3.267 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccccc1O ZINC000036994071 712528976 /nfs/dbraw/zinc/52/89/76/712528976.db2.gz GFWMUBGLGDBMEF-NWDGAFQWSA-N 1 0 245.322 3.267 20 10 BGCDRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccccc1O ZINC000036994073 712528863 /nfs/dbraw/zinc/52/88/63/712528863.db2.gz GFWMUBGLGDBMEF-VXGBXAGGSA-N 1 0 245.322 3.267 20 10 BGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000037031615 712530276 /nfs/dbraw/zinc/53/02/76/712530276.db2.gz BMISRNFBCYAJDX-OCCSQVGLSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000037031616 712530432 /nfs/dbraw/zinc/53/04/32/712530432.db2.gz BMISRNFBCYAJDX-JSGCOSHPSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000037031617 712530224 /nfs/dbraw/zinc/53/02/24/712530224.db2.gz BMISRNFBCYAJDX-TZMCWYRMSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000037031618 712530387 /nfs/dbraw/zinc/53/03/87/712530387.db2.gz BMISRNFBCYAJDX-GXTWGEPZSA-N 1 0 233.355 3.451 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CCC2)c(O)c1 ZINC000037179486 383955323 /nfs/dbraw/zinc/95/53/23/383955323.db2.gz VSYQSNMQLDOUTM-LLVKDONJSA-N 1 0 219.328 3.151 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC2CCC2)c(O)c1 ZINC000037179488 383955150 /nfs/dbraw/zinc/95/51/50/383955150.db2.gz VSYQSNMQLDOUTM-NSHDSACASA-N 1 0 219.328 3.151 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+]CC2CCC2)cc1 ZINC000037179540 712550421 /nfs/dbraw/zinc/55/04/21/712550421.db2.gz FKAAQOLXMFRJDM-UHFFFAOYSA-N 1 0 246.398 3.423 20 10 BGCDRO CC[C@H]([NH2+]CC1CCC1)c1ccccc1O ZINC000037179837 343338450 /nfs/dbraw/zinc/33/84/50/343338450.db2.gz DJFBCADPGJEPJB-ZDUSSCGKSA-N 1 0 219.328 3.233 20 10 BGCDRO CC[C@@H]([NH2+]CC1CCC1)c1ccccc1O ZINC000037179839 383954944 /nfs/dbraw/zinc/95/49/44/383954944.db2.gz DJFBCADPGJEPJB-CYBMUJFWSA-N 1 0 219.328 3.233 20 10 BGCDRO C[C@H]([NH2+]Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000037184226 383953176 /nfs/dbraw/zinc/95/31/76/383953176.db2.gz RJQBULQTECTXAK-LBPRGKRZSA-N 1 0 244.338 3.196 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccco1)c1ccc(N(C)C)cc1 ZINC000037184227 343338320 /nfs/dbraw/zinc/33/83/20/343338320.db2.gz RJQBULQTECTXAK-GFCCVEGCSA-N 1 0 244.338 3.196 20 10 BGCDRO CCC(C)(C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000037186215 712552881 /nfs/dbraw/zinc/55/28/81/712552881.db2.gz XDMQXSUQBVKHKR-UHFFFAOYSA-N 1 0 221.344 3.282 20 10 BGCDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037186497 343338253 /nfs/dbraw/zinc/33/82/53/343338253.db2.gz HWLSTMQNVJFVJI-NEPJUHHUSA-N 1 0 220.360 3.202 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037186498 171346049 /nfs/dbraw/zinc/34/60/49/171346049.db2.gz HWLSTMQNVJFVJI-RYUDHWBXSA-N 1 0 220.360 3.202 20 10 BGCDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037186499 343338384 /nfs/dbraw/zinc/33/83/84/343338384.db2.gz HWLSTMQNVJFVJI-VXGBXAGGSA-N 1 0 220.360 3.202 20 10 BGCDRO CC[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037186500 171348228 /nfs/dbraw/zinc/34/82/28/171348228.db2.gz HWLSTMQNVJFVJI-NWDGAFQWSA-N 1 0 220.360 3.202 20 10 BGCDRO CC[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037186505 343338306 /nfs/dbraw/zinc/33/83/06/343338306.db2.gz XPMGDXLVQBXFJK-CYBMUJFWSA-N 1 0 232.371 3.175 20 10 BGCDRO CC[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037186506 171343330 /nfs/dbraw/zinc/34/33/30/171343330.db2.gz XPMGDXLVQBXFJK-ZDUSSCGKSA-N 1 0 232.371 3.175 20 10 BGCDRO CC(C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037186727 383954814 /nfs/dbraw/zinc/95/48/14/383954814.db2.gz LEHWYAAAUZARFZ-LBPRGKRZSA-N 1 0 220.360 3.059 20 10 BGCDRO CC(C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037186728 167013074 /nfs/dbraw/zinc/01/30/74/167013074.db2.gz LEHWYAAAUZARFZ-GFCCVEGCSA-N 1 0 220.360 3.059 20 10 BGCDRO C[C@H]([NH2+]C1CCCC1)c1ccc(N(C)C)cc1 ZINC000037186843 383955080 /nfs/dbraw/zinc/95/50/80/383955080.db2.gz VRQDCZXUMRXUHJ-LBPRGKRZSA-N 1 0 232.371 3.346 20 10 BGCDRO C[C@@H]([NH2+]C1CCCC1)c1ccc(N(C)C)cc1 ZINC000037186844 175860442 /nfs/dbraw/zinc/86/04/42/175860442.db2.gz VRQDCZXUMRXUHJ-GFCCVEGCSA-N 1 0 232.371 3.346 20 10 BGCDRO CCCC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037197941 712552525 /nfs/dbraw/zinc/55/25/25/712552525.db2.gz LHFBRZFVLLVLSL-LBPRGKRZSA-N 1 0 220.360 3.203 20 10 BGCDRO CCCC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037197942 712552412 /nfs/dbraw/zinc/55/24/12/712552412.db2.gz LHFBRZFVLLVLSL-GFCCVEGCSA-N 1 0 220.360 3.203 20 10 BGCDRO CC(C)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037199817 712552547 /nfs/dbraw/zinc/55/25/47/712552547.db2.gz DLFGRNBNIRIJJP-ZDUSSCGKSA-N 1 0 234.387 3.449 20 10 BGCDRO CC(C)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037199818 712552478 /nfs/dbraw/zinc/55/24/78/712552478.db2.gz DLFGRNBNIRIJJP-CYBMUJFWSA-N 1 0 234.387 3.449 20 10 BGCDRO COc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1C ZINC000037230295 175105545 /nfs/dbraw/zinc/10/55/45/175105545.db2.gz DYCQZTVEZNZKHL-UHFFFAOYSA-N 1 0 245.366 3.282 20 10 BGCDRO CCCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037233599 712554548 /nfs/dbraw/zinc/55/45/48/712554548.db2.gz CTJPDHRZBVNJJH-ZDUSSCGKSA-N 1 0 234.387 3.421 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000037233601 712554575 /nfs/dbraw/zinc/55/45/75/712554575.db2.gz MKMVYPHBIXZXML-HNNXBMFYSA-N 1 0 234.387 3.277 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)C ZINC000037233603 712554627 /nfs/dbraw/zinc/55/46/27/712554627.db2.gz MKMVYPHBIXZXML-OAHLLOKOSA-N 1 0 234.387 3.277 20 10 BGCDRO CC(C)[C@@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037249626 712558397 /nfs/dbraw/zinc/55/83/97/712558397.db2.gz ISTJTUQOCMORHG-CQSZACIVSA-N 1 0 246.398 3.421 20 10 BGCDRO CC(C)[C@H](C)[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037249628 712558591 /nfs/dbraw/zinc/55/85/91/712558591.db2.gz ISTJTUQOCMORHG-AWEZNQCLSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@H]([NH2+]CC1CCC1)c1ccc(N(C)C)cc1 ZINC000037253628 712558640 /nfs/dbraw/zinc/55/86/40/712558640.db2.gz JUWVVNKRKUZRSX-LBPRGKRZSA-N 1 0 232.371 3.203 20 10 BGCDRO C[C@@H]([NH2+]CC1CCC1)c1ccc(N(C)C)cc1 ZINC000037253630 712558562 /nfs/dbraw/zinc/55/85/62/712558562.db2.gz JUWVVNKRKUZRSX-GFCCVEGCSA-N 1 0 232.371 3.203 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000037253696 175158894 /nfs/dbraw/zinc/15/88/94/175158894.db2.gz PXERMSAURQTAIX-YPMHNXCESA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000037253698 175159567 /nfs/dbraw/zinc/15/95/67/175159567.db2.gz PXERMSAURQTAIX-AAEUAGOBSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000037253700 175158583 /nfs/dbraw/zinc/15/85/83/175158583.db2.gz PXERMSAURQTAIX-DGCLKSJQSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000037253701 175158542 /nfs/dbraw/zinc/15/85/42/175158542.db2.gz PXERMSAURQTAIX-WCQYABFASA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1O ZINC000037254217 175267856 /nfs/dbraw/zinc/26/78/56/175267856.db2.gz HFVCEHQHNVFHHB-YPMHNXCESA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@H]2CCC[C@H](C)C2)c1O ZINC000037254219 175267572 /nfs/dbraw/zinc/26/75/72/175267572.db2.gz HFVCEHQHNVFHHB-AAEUAGOBSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1O ZINC000037254221 175267068 /nfs/dbraw/zinc/26/70/68/175267068.db2.gz HFVCEHQHNVFHHB-DGCLKSJQSA-N 1 0 249.354 3.069 20 10 BGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000037254321 176144321 /nfs/dbraw/zinc/14/43/21/176144321.db2.gz DUEYWBGCZOLFAT-YPMHNXCESA-N 1 0 219.328 3.061 20 10 BGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000037254323 177137316 /nfs/dbraw/zinc/13/73/16/177137316.db2.gz DUEYWBGCZOLFAT-AAEUAGOBSA-N 1 0 219.328 3.061 20 10 BGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000037254325 176123687 /nfs/dbraw/zinc/12/36/87/176123687.db2.gz DUEYWBGCZOLFAT-DGCLKSJQSA-N 1 0 219.328 3.061 20 10 BGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000037254327 177122709 /nfs/dbraw/zinc/12/27/09/177122709.db2.gz DUEYWBGCZOLFAT-WCQYABFASA-N 1 0 219.328 3.061 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CCCC2)c1 ZINC000037257922 175160664 /nfs/dbraw/zinc/16/06/64/175160664.db2.gz WSZHTWXFDKNMOJ-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CCCC2)c1 ZINC000037257924 175160137 /nfs/dbraw/zinc/16/01/37/175160137.db2.gz WSZHTWXFDKNMOJ-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO CCOc1cccc(C[NH2+]CC2CCCC2)c1O ZINC000037258061 343341772 /nfs/dbraw/zinc/34/17/72/343341772.db2.gz SNUTUEIUOJWRFE-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO C[C@H]([NH2+]CC1CCCC1)c1ccccc1O ZINC000037258102 712560889 /nfs/dbraw/zinc/56/08/89/712560889.db2.gz FXFHVMYJGXHOKE-NSHDSACASA-N 1 0 219.328 3.233 20 10 BGCDRO C[C@@H]([NH2+]CC1CCCC1)c1ccccc1O ZINC000037258104 712560761 /nfs/dbraw/zinc/56/07/61/712560761.db2.gz FXFHVMYJGXHOKE-LLVKDONJSA-N 1 0 219.328 3.233 20 10 BGCDRO COc1ccc(O)c(C[NH2+]CC2CCCCC2)c1 ZINC000037259299 712560777 /nfs/dbraw/zinc/56/07/77/712560777.db2.gz OIEWLGBHCNIBIK-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000037259314 383965026 /nfs/dbraw/zinc/96/50/26/383965026.db2.gz XTDDHADWSULVRC-RYUDHWBXSA-N 1 0 232.371 3.202 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000037259316 343341796 /nfs/dbraw/zinc/34/17/96/343341796.db2.gz XTDDHADWSULVRC-NWDGAFQWSA-N 1 0 232.371 3.202 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000037259318 343341733 /nfs/dbraw/zinc/34/17/33/343341733.db2.gz XTDDHADWSULVRC-NEPJUHHUSA-N 1 0 232.371 3.202 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000037259320 175919645 /nfs/dbraw/zinc/91/96/45/175919645.db2.gz XTDDHADWSULVRC-VXGBXAGGSA-N 1 0 232.371 3.202 20 10 BGCDRO COc1cccc(C[NH2+]CC2CCCCC2)c1O ZINC000037259541 175263728 /nfs/dbraw/zinc/26/37/28/175263728.db2.gz WATKRHBCVXSKLC-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO Oc1ccccc1C[NH2+]CC1CCCCC1 ZINC000037259581 183301009 /nfs/dbraw/zinc/30/10/09/183301009.db2.gz FWWBWXNPBXNCMY-UHFFFAOYSA-N 1 0 219.328 3.062 20 10 BGCDRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000037264310 343342226 /nfs/dbraw/zinc/34/22/26/343342226.db2.gz SMTFPLVOFVGYNJ-NEPJUHHUSA-N 1 0 221.344 3.477 20 10 BGCDRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000037264311 343342280 /nfs/dbraw/zinc/34/22/80/343342280.db2.gz SMTFPLVOFVGYNJ-RYUDHWBXSA-N 1 0 221.344 3.477 20 10 BGCDRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000037264312 343342245 /nfs/dbraw/zinc/34/22/45/343342245.db2.gz SMTFPLVOFVGYNJ-VXGBXAGGSA-N 1 0 221.344 3.477 20 10 BGCDRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000037264313 383965563 /nfs/dbraw/zinc/96/55/63/383965563.db2.gz SMTFPLVOFVGYNJ-NWDGAFQWSA-N 1 0 221.344 3.477 20 10 BGCDRO c1cc(C[NH2+]C2CCCCC2)cc2c1OCC2 ZINC000037362315 183367966 /nfs/dbraw/zinc/36/79/66/183367966.db2.gz NJLYDHBJBINOGK-UHFFFAOYSA-N 1 0 231.339 3.044 20 10 BGCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362647 176080676 /nfs/dbraw/zinc/08/06/76/176080676.db2.gz UBLLLPOYYJRTJD-DOMZBBRYSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362649 177083261 /nfs/dbraw/zinc/08/32/61/177083261.db2.gz UBLLLPOYYJRTJD-WFASDCNBSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362651 176088259 /nfs/dbraw/zinc/08/82/59/176088259.db2.gz UBLLLPOYYJRTJD-IUODEOHRSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362653 177088800 /nfs/dbraw/zinc/08/88/00/177088800.db2.gz UBLLLPOYYJRTJD-SWLSCSKDSA-N 1 0 245.366 3.290 20 10 BGCDRO c1cc(C[NH2+]C2CCCCCC2)cc2c1OCC2 ZINC000037362751 183368172 /nfs/dbraw/zinc/36/81/72/183368172.db2.gz QFNHDJXFLMLJJJ-UHFFFAOYSA-N 1 0 245.366 3.434 20 10 BGCDRO CCCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362853 712575053 /nfs/dbraw/zinc/57/50/53/712575053.db2.gz BRHHFKLNRGUYQK-UHFFFAOYSA-N 1 0 233.355 3.291 20 10 BGCDRO c1cc(C[NH2+]CC2CCCCC2)cc2c1OCC2 ZINC000037363030 712575130 /nfs/dbraw/zinc/57/51/30/712575130.db2.gz VBMXGDUMEAPORR-UHFFFAOYSA-N 1 0 245.366 3.291 20 10 BGCDRO CC(C)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363031 712575069 /nfs/dbraw/zinc/57/50/69/712575069.db2.gz PZYITKLDVVAHJM-GFCCVEGCSA-N 1 0 233.355 3.146 20 10 BGCDRO CC(C)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363034 191069114 /nfs/dbraw/zinc/06/91/14/191069114.db2.gz PZYITKLDVVAHJM-LBPRGKRZSA-N 1 0 233.355 3.146 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccco1 ZINC000037363062 712574944 /nfs/dbraw/zinc/57/49/44/712574944.db2.gz CBFQTKPBGHYHMI-NSHDSACASA-N 1 0 243.306 3.065 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccco1 ZINC000037363064 712575152 /nfs/dbraw/zinc/57/51/52/712575152.db2.gz CBFQTKPBGHYHMI-LLVKDONJSA-N 1 0 243.306 3.065 20 10 BGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037415443 176144548 /nfs/dbraw/zinc/14/45/48/176144548.db2.gz HHTQVNZQKYJELD-DOMZBBRYSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037415445 177136793 /nfs/dbraw/zinc/13/67/93/177136793.db2.gz HHTQVNZQKYJELD-WFASDCNBSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037415447 176123131 /nfs/dbraw/zinc/12/31/31/176123131.db2.gz HHTQVNZQKYJELD-IUODEOHRSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000037415449 177123266 /nfs/dbraw/zinc/12/32/66/177123266.db2.gz HHTQVNZQKYJELD-SWLSCSKDSA-N 1 0 245.366 3.290 20 10 BGCDRO CN(C)c1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC000037492910 711481214 /nfs/dbraw/zinc/48/12/14/711481214.db2.gz DZHQWDYOVDGSDV-UHFFFAOYSA-N 1 0 246.398 3.423 20 10 BGCDRO COc1ccc(O)c(C[NH2+]CCC2CCCC2)c1 ZINC000037739553 175158704 /nfs/dbraw/zinc/15/87/04/175158704.db2.gz MYPDOXABPKXMJF-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO CC(C)CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037984997 712794799 /nfs/dbraw/zinc/79/47/99/712794799.db2.gz ZSQQNRFLXYFYSA-UHFFFAOYSA-N 1 0 234.387 3.278 20 10 BGCDRO CC(C)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000038052033 166814414 /nfs/dbraw/zinc/81/44/14/166814414.db2.gz ICTXDJRRNAZWFC-UHFFFAOYSA-N 1 0 233.355 3.147 20 10 BGCDRO Cc1csc(C[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000038090752 188290896 /nfs/dbraw/zinc/29/08/96/188290896.db2.gz MFGNDCJWAWPFNN-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1csc(C[NH2+][C@H](C)c2ccccc2O)n1 ZINC000038090753 343370423 /nfs/dbraw/zinc/37/04/23/343370423.db2.gz MFGNDCJWAWPFNN-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO CC(C)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000038093320 711481721 /nfs/dbraw/zinc/48/17/21/711481721.db2.gz XGLCNQZGYOUROR-LBPRGKRZSA-N 1 0 221.344 3.479 20 10 BGCDRO CC(C)CCC[NH2+][C@H](C)c1ccccc1O ZINC000038093321 712807358 /nfs/dbraw/zinc/80/73/58/712807358.db2.gz XGLCNQZGYOUROR-GFCCVEGCSA-N 1 0 221.344 3.479 20 10 BGCDRO CC[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1O ZINC000038095638 712807880 /nfs/dbraw/zinc/80/78/80/712807880.db2.gz LDCRMEXFKWUGBC-JSGCOSHPSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccccc1O ZINC000038095639 170896615 /nfs/dbraw/zinc/89/66/15/170896615.db2.gz LDCRMEXFKWUGBC-GXTWGEPZSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1O ZINC000038095640 712807922 /nfs/dbraw/zinc/80/79/22/712807922.db2.gz LDCRMEXFKWUGBC-OCCSQVGLSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1ccccc1O ZINC000038095641 712807973 /nfs/dbraw/zinc/80/79/73/712807973.db2.gz LDCRMEXFKWUGBC-TZMCWYRMSA-N 1 0 249.354 3.002 20 10 BGCDRO Nc1ccc(CC[NH2+]C2CCCCCC2)cc1 ZINC000040397468 633751975 /nfs/dbraw/zinc/75/19/75/633751975.db2.gz PHSBUHLJCBMPTO-UHFFFAOYSA-N 1 0 232.371 3.124 20 10 BGCDRO C[C@H]([NH2+]CC(C)(C)C)c1ccccc1O ZINC000040492468 387797509 /nfs/dbraw/zinc/79/75/09/387797509.db2.gz RYXHGYHNIKTVNO-JTQLQIEISA-N 1 0 207.317 3.089 20 10 BGCDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccccc1O ZINC000040492471 387798633 /nfs/dbraw/zinc/79/86/33/387798633.db2.gz RYXHGYHNIKTVNO-SNVBAGLBSA-N 1 0 207.317 3.089 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C)c1 ZINC000040492555 175160603 /nfs/dbraw/zinc/16/06/03/175160603.db2.gz LKMXXJHFPPELRT-JTQLQIEISA-N 1 0 237.343 3.098 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C)c1 ZINC000040492556 175159913 /nfs/dbraw/zinc/15/99/13/175159913.db2.gz LKMXXJHFPPELRT-SNVBAGLBSA-N 1 0 237.343 3.098 20 10 BGCDRO CC(C)(C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000040492561 633810132 /nfs/dbraw/zinc/81/01/32/633810132.db2.gz HHIDSUIRLJSVNO-UHFFFAOYSA-N 1 0 227.735 3.181 20 10 BGCDRO CC[C@H]([NH2+]CC(C)(C)C)c1ccccc1O ZINC000040492580 343405222 /nfs/dbraw/zinc/40/52/22/343405222.db2.gz YJRNNADZRJAJNZ-LBPRGKRZSA-N 1 0 221.344 3.479 20 10 BGCDRO CC[C@@H]([NH2+]CC(C)(C)C)c1ccccc1O ZINC000040492581 384153229 /nfs/dbraw/zinc/15/32/29/384153229.db2.gz YJRNNADZRJAJNZ-GFCCVEGCSA-N 1 0 221.344 3.479 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C)c(O)c1 ZINC000040492729 384155315 /nfs/dbraw/zinc/15/53/15/384155315.db2.gz UWCJMMJFHOMFOJ-LLVKDONJSA-N 1 0 221.344 3.397 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C)c(O)c1 ZINC000040492730 384154292 /nfs/dbraw/zinc/15/42/92/384154292.db2.gz UWCJMMJFHOMFOJ-NSHDSACASA-N 1 0 221.344 3.397 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)C)c1 ZINC000040492832 384156109 /nfs/dbraw/zinc/15/61/09/384156109.db2.gz DNBJEQAZXJNTRI-LLVKDONJSA-N 1 0 221.344 3.397 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)C)c1 ZINC000040492833 384156324 /nfs/dbraw/zinc/15/63/24/384156324.db2.gz DNBJEQAZXJNTRI-NSHDSACASA-N 1 0 221.344 3.397 20 10 BGCDRO C[C@H]([NH2+]CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000040492934 633810486 /nfs/dbraw/zinc/81/04/86/633810486.db2.gz WDILVLTUSMCDOJ-LBPRGKRZSA-N 1 0 234.387 3.449 20 10 BGCDRO C[C@@H]([NH2+]CC(C)(C)C)c1ccc(N(C)C)cc1 ZINC000040492935 633809925 /nfs/dbraw/zinc/80/99/25/633809925.db2.gz WDILVLTUSMCDOJ-GFCCVEGCSA-N 1 0 234.387 3.449 20 10 BGCDRO COc1ccc(C[NH2+]CC(C)(C)C)cc1C ZINC000040493006 188216087 /nfs/dbraw/zinc/21/60/87/188216087.db2.gz QMRFJEVDZHTMSK-UHFFFAOYSA-N 1 0 221.344 3.139 20 10 BGCDRO Cc1ncc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000040997381 180154646 /nfs/dbraw/zinc/15/46/46/180154646.db2.gz PWCMGEOWJINEIY-VIFPVBQESA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ncc(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000040997382 180159031 /nfs/dbraw/zinc/15/90/31/180159031.db2.gz PWCMGEOWJINEIY-SECBINFHSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1nc(C[NH2+][C@@H](C)c2ccccc2O)cs1 ZINC000041010314 641538636 /nfs/dbraw/zinc/53/86/36/641538636.db2.gz DCZCHGYDEWKEGT-VIFPVBQESA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1nc(C[NH2+][C@H](C)c2ccccc2O)cs1 ZINC000041010315 641539286 /nfs/dbraw/zinc/53/92/86/641539286.db2.gz DCZCHGYDEWKEGT-SECBINFHSA-N 1 0 248.351 3.008 20 10 BGCDRO CC[C@H]([NH2+]Cc1nccs1)c1ccccc1O ZINC000041011976 343412266 /nfs/dbraw/zinc/41/22/66/343412266.db2.gz LBMWHPOVBJLTQK-NSHDSACASA-N 1 0 248.351 3.090 20 10 BGCDRO CC[C@@H]([NH2+]Cc1nccs1)c1ccccc1O ZINC000041011978 343412558 /nfs/dbraw/zinc/41/25/58/343412558.db2.gz LBMWHPOVBJLTQK-LLVKDONJSA-N 1 0 248.351 3.090 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nccs2)c(O)c1 ZINC000041012301 384173339 /nfs/dbraw/zinc/17/33/39/384173339.db2.gz QUXIHZBCQTUOPR-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]Cc2nccs2)c(O)c1 ZINC000041012303 384174071 /nfs/dbraw/zinc/17/40/71/384174071.db2.gz QUXIHZBCQTUOPR-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nccs2)c1 ZINC000041012528 641539808 /nfs/dbraw/zinc/53/98/08/641539808.db2.gz LIRBDXUYMBCRAM-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nccs2)c1 ZINC000041012530 641538901 /nfs/dbraw/zinc/53/89/01/641538901.db2.gz LIRBDXUYMBCRAM-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO CCOc1cccc(C[NH2+]C2(C)CCCC2)c1O ZINC000042176451 343430338 /nfs/dbraw/zinc/43/03/38/343430338.db2.gz AKBLRWIPCOJWSP-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000042551980 637283814 /nfs/dbraw/zinc/28/38/14/637283814.db2.gz QRIMWYLEWQARFK-UTUOFQBUSA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000042551983 171367040 /nfs/dbraw/zinc/36/70/40/171367040.db2.gz QRIMWYLEWQARFK-TUAOUCFPSA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000042551986 637282526 /nfs/dbraw/zinc/28/25/26/637282526.db2.gz QRIMWYLEWQARFK-WOPDTQHZSA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000042551989 171390389 /nfs/dbraw/zinc/39/03/89/171390389.db2.gz QRIMWYLEWQARFK-SRVKXCTJSA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000042554311 170774256 /nfs/dbraw/zinc/77/42/56/170774256.db2.gz SLLWRQBZTRFBMC-VXGBXAGGSA-N 1 0 233.355 3.146 20 10 BGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000042554314 171365293 /nfs/dbraw/zinc/36/52/93/171365293.db2.gz SLLWRQBZTRFBMC-NWDGAFQWSA-N 1 0 233.355 3.146 20 10 BGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000042554316 637282474 /nfs/dbraw/zinc/28/24/74/637282474.db2.gz SLLWRQBZTRFBMC-NEPJUHHUSA-N 1 0 233.355 3.146 20 10 BGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000042554319 171389396 /nfs/dbraw/zinc/38/93/96/171389396.db2.gz SLLWRQBZTRFBMC-RYUDHWBXSA-N 1 0 233.355 3.146 20 10 BGCDRO CCCCC[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000042574117 637283312 /nfs/dbraw/zinc/28/33/12/637283312.db2.gz LDAGVOWZOVPJKQ-CYBMUJFWSA-N 1 0 234.387 3.370 20 10 BGCDRO CCCCC[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000042574120 637283827 /nfs/dbraw/zinc/28/38/27/637283827.db2.gz LDAGVOWZOVPJKQ-ZDUSSCGKSA-N 1 0 234.387 3.370 20 10 BGCDRO CCC1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000042577274 637289702 /nfs/dbraw/zinc/28/97/02/637289702.db2.gz ZCPDPMGCFMGBNI-UHFFFAOYSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000042584845 171538355 /nfs/dbraw/zinc/53/83/55/171538355.db2.gz MALIQOJUFAWSDA-AAEUAGOBSA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(C)C ZINC000042584848 343444374 /nfs/dbraw/zinc/44/43/74/343444374.db2.gz MALIQOJUFAWSDA-WCQYABFASA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000042584851 343444308 /nfs/dbraw/zinc/44/43/08/343444308.db2.gz MALIQOJUFAWSDA-YPMHNXCESA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(C)C ZINC000042584854 343444418 /nfs/dbraw/zinc/44/44/18/343444418.db2.gz MALIQOJUFAWSDA-DGCLKSJQSA-N 1 0 221.344 3.477 20 10 BGCDRO C[C@H]([NH2+]CCc1ccsc1)c1ccccc1O ZINC000042598920 384231258 /nfs/dbraw/zinc/23/12/58/384231258.db2.gz MQVNZUXXVIKHQK-NSHDSACASA-N 1 0 247.363 3.347 20 10 BGCDRO C[C@@H]([NH2+]CCc1ccsc1)c1ccccc1O ZINC000042598924 384231473 /nfs/dbraw/zinc/23/14/73/384231473.db2.gz MQVNZUXXVIKHQK-LLVKDONJSA-N 1 0 247.363 3.347 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1O ZINC000042812686 343454573 /nfs/dbraw/zinc/45/45/73/343454573.db2.gz SFLZVUMVGSOADG-JSGCOSHPSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccccc1O ZINC000042812690 384247877 /nfs/dbraw/zinc/24/78/77/384247877.db2.gz SFLZVUMVGSOADG-GXTWGEPZSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1O ZINC000042812694 343454627 /nfs/dbraw/zinc/45/46/27/343454627.db2.gz SFLZVUMVGSOADG-OCCSQVGLSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1ccccc1O ZINC000042812698 384248046 /nfs/dbraw/zinc/24/80/46/384248046.db2.gz SFLZVUMVGSOADG-TZMCWYRMSA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000042857059 176077802 /nfs/dbraw/zinc/07/78/02/176077802.db2.gz OOYPIJPVDNPIQB-CHWSQXEVSA-N 1 0 233.355 3.308 20 10 BGCDRO C[C@H]1CCCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000042857062 177080035 /nfs/dbraw/zinc/08/00/35/177080035.db2.gz OOYPIJPVDNPIQB-QWHCGFSZSA-N 1 0 233.355 3.308 20 10 BGCDRO C[C@@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000042857066 176085555 /nfs/dbraw/zinc/08/55/55/176085555.db2.gz OOYPIJPVDNPIQB-OLZOCXBDSA-N 1 0 233.355 3.308 20 10 BGCDRO C[C@H]1CCCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000042857068 177086193 /nfs/dbraw/zinc/08/61/93/177086193.db2.gz OOYPIJPVDNPIQB-STQMWFEESA-N 1 0 233.355 3.308 20 10 BGCDRO COc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1C ZINC000044583540 640441893 /nfs/dbraw/zinc/44/18/93/640441893.db2.gz YXXXRHFGLRNFIJ-AWEZNQCLSA-N 1 0 245.366 3.450 20 10 BGCDRO COc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1C ZINC000044583543 640442213 /nfs/dbraw/zinc/44/22/13/640442213.db2.gz YXXXRHFGLRNFIJ-CQSZACIVSA-N 1 0 245.366 3.450 20 10 BGCDRO CC1([NH2+]Cc2ccccc2O)CCCCC1 ZINC000045042427 168063611 /nfs/dbraw/zinc/06/36/11/168063611.db2.gz PDZXUNLXIZIWHK-UHFFFAOYSA-N 1 0 219.328 3.205 20 10 BGCDRO COc1cccc(C[NH2+]C2(C)CCCCC2)c1O ZINC000045042444 175263483 /nfs/dbraw/zinc/26/34/83/175263483.db2.gz UMFFRWDTHCDYMF-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO COc1ccc(O)c(C[NH2+]C2(C)CCCCC2)c1 ZINC000045042523 175157951 /nfs/dbraw/zinc/15/79/51/175157951.db2.gz CGNGRODTGDBPHH-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO CC1([NH2+]Cc2ccc3c(c2)CCO3)CCCCC1 ZINC000045042858 643550418 /nfs/dbraw/zinc/55/04/18/643550418.db2.gz MNIUXETXUHUTMC-UHFFFAOYSA-N 1 0 245.366 3.434 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CC1(C)C)c1ccccc1O ZINC000045115548 643549664 /nfs/dbraw/zinc/54/96/64/643549664.db2.gz GTTKQNKQWOQBRI-AAEUAGOBSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]([NH2+][C@H]1CC1(C)C)c1ccccc1O ZINC000045115550 643551078 /nfs/dbraw/zinc/55/10/78/643551078.db2.gz GTTKQNKQWOQBRI-YPMHNXCESA-N 1 0 219.328 3.231 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC2(C)C)c(O)c1 ZINC000045116441 384374565 /nfs/dbraw/zinc/37/45/65/384374565.db2.gz ULYCVQVWXGSCRZ-ZWNOBZJWSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)c(O)c1 ZINC000045116443 384374175 /nfs/dbraw/zinc/37/41/75/384374175.db2.gz ULYCVQVWXGSCRZ-GXFFZTMASA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)c(O)c1 ZINC000045116445 384374776 /nfs/dbraw/zinc/37/47/76/384374776.db2.gz ULYCVQVWXGSCRZ-MFKMUULPSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)c(O)c1 ZINC000045116448 384374686 /nfs/dbraw/zinc/37/46/86/384374686.db2.gz ULYCVQVWXGSCRZ-GWCFXTLKSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC2(C)C)c1 ZINC000045116960 384375737 /nfs/dbraw/zinc/37/57/37/384375737.db2.gz RZHXWBMSSXAWHI-ZWNOBZJWSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC2(C)C)c1 ZINC000045116962 384373943 /nfs/dbraw/zinc/37/39/43/384373943.db2.gz RZHXWBMSSXAWHI-GXFFZTMASA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC2(C)C)c1 ZINC000045116964 384374405 /nfs/dbraw/zinc/37/44/05/384374405.db2.gz RZHXWBMSSXAWHI-MFKMUULPSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC2(C)C)c1 ZINC000045116966 384374135 /nfs/dbraw/zinc/37/41/35/384374135.db2.gz RZHXWBMSSXAWHI-GWCFXTLKSA-N 1 0 219.328 3.150 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000045117289 643551469 /nfs/dbraw/zinc/55/14/69/643551469.db2.gz MOIDOEYIEZXGNK-FZMZJTMJSA-N 1 0 232.371 3.202 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000045117291 643550377 /nfs/dbraw/zinc/55/03/77/643550377.db2.gz MOIDOEYIEZXGNK-RISCZKNCSA-N 1 0 232.371 3.202 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccccc1O ZINC000045628848 384400336 /nfs/dbraw/zinc/40/03/36/384400336.db2.gz HDCNKGMKNKHAMP-STQMWFEESA-N 1 0 231.339 3.399 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1O ZINC000045628850 384399696 /nfs/dbraw/zinc/39/96/96/384399696.db2.gz HDCNKGMKNKHAMP-QWHCGFSZSA-N 1 0 231.339 3.399 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccccc1O ZINC000045628851 384399237 /nfs/dbraw/zinc/39/92/37/384399237.db2.gz HDCNKGMKNKHAMP-CHWSQXEVSA-N 1 0 231.339 3.399 20 10 BGCDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccccc1O ZINC000049154304 643614795 /nfs/dbraw/zinc/61/47/95/643614795.db2.gz QADHKODWDUELHV-NSHDSACASA-N 1 0 247.363 3.175 20 10 BGCDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccccc1O ZINC000049154307 641711413 /nfs/dbraw/zinc/71/14/13/641711413.db2.gz QADHKODWDUELHV-LLVKDONJSA-N 1 0 247.363 3.175 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2ccccc2O)s1 ZINC000050225129 643649285 /nfs/dbraw/zinc/64/92/85/643649285.db2.gz JSJZXLRLIZGXKD-UHFFFAOYSA-N 1 0 233.336 3.052 20 10 BGCDRO CN1CCCc2cc(C[NH2+]C3CCCC3)ccc21 ZINC000050266787 643670856 /nfs/dbraw/zinc/67/08/56/643670856.db2.gz FJLGFZFXWVDAPZ-UHFFFAOYSA-N 1 0 244.382 3.101 20 10 BGCDRO CCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000050273178 169275762 /nfs/dbraw/zinc/27/57/62/169275762.db2.gz KSFVKAVBSQSVDX-QMMMGPOBSA-N 1 0 213.708 3.106 20 10 BGCDRO CCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000050273179 169287171 /nfs/dbraw/zinc/28/71/71/169287171.db2.gz KSFVKAVBSQSVDX-MRVPVSSYSA-N 1 0 213.708 3.106 20 10 BGCDRO CCC(CC)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050285788 643677312 /nfs/dbraw/zinc/67/73/12/643677312.db2.gz HOVTWPQJCIRKOX-UHFFFAOYSA-N 1 0 246.398 3.347 20 10 BGCDRO CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050285810 643677844 /nfs/dbraw/zinc/67/78/44/643677844.db2.gz YRPHCGNULLBLFA-CYBMUJFWSA-N 1 0 246.398 3.347 20 10 BGCDRO CCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050285811 643678521 /nfs/dbraw/zinc/67/85/21/643678521.db2.gz YRPHCGNULLBLFA-ZDUSSCGKSA-N 1 0 246.398 3.347 20 10 BGCDRO CC(C)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286414 535166297 /nfs/dbraw/zinc/16/62/97/535166297.db2.gz FFOLTBLJRPBDJJ-CYBMUJFWSA-N 1 0 246.398 3.203 20 10 BGCDRO CC(C)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286415 132358938 /nfs/dbraw/zinc/35/89/38/132358938.db2.gz FFOLTBLJRPBDJJ-ZDUSSCGKSA-N 1 0 246.398 3.203 20 10 BGCDRO CN1CCCc2cc(C[NH2+]CC(C)(C)C)ccc21 ZINC000050286774 643678036 /nfs/dbraw/zinc/67/80/36/643678036.db2.gz DSDUMBKVSBNPGA-UHFFFAOYSA-N 1 0 246.398 3.205 20 10 BGCDRO CCC[C@@H](CC)[NH2+]Cc1ccccc1O ZINC000050400153 643698199 /nfs/dbraw/zinc/69/81/99/643698199.db2.gz XAOBPBMTMKSMGQ-GFCCVEGCSA-N 1 0 207.317 3.061 20 10 BGCDRO CCC[C@H](CC)[NH2+]Cc1ccccc1O ZINC000050400155 643697251 /nfs/dbraw/zinc/69/72/51/643697251.db2.gz XAOBPBMTMKSMGQ-LBPRGKRZSA-N 1 0 207.317 3.061 20 10 BGCDRO CCC[C@@H](CC)[NH2+]Cc1cccc(OC)c1O ZINC000050400548 169379374 /nfs/dbraw/zinc/37/93/74/169379374.db2.gz TYWUOADVPOWBLM-GFCCVEGCSA-N 1 0 237.343 3.069 20 10 BGCDRO CCC[C@H](CC)[NH2+]Cc1cccc(OC)c1O ZINC000050400550 384626369 /nfs/dbraw/zinc/62/63/69/384626369.db2.gz TYWUOADVPOWBLM-LBPRGKRZSA-N 1 0 237.343 3.069 20 10 BGCDRO CCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000050402495 643696776 /nfs/dbraw/zinc/69/67/76/643696776.db2.gz CNJGQVXJOQCTHH-CQSZACIVSA-N 1 0 233.355 3.290 20 10 BGCDRO CCC[C@H](CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000050402498 643697334 /nfs/dbraw/zinc/69/73/34/643697334.db2.gz CNJGQVXJOQCTHH-AWEZNQCLSA-N 1 0 233.355 3.290 20 10 BGCDRO CCCC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000050886901 345014416 /nfs/dbraw/zinc/01/44/16/345014416.db2.gz WYPDKQFBOORXEX-LLVKDONJSA-N 1 0 207.317 3.061 20 10 BGCDRO CCCC[C@H](C)[NH2+]Cc1ccccc1O ZINC000050886902 345014891 /nfs/dbraw/zinc/01/48/91/345014891.db2.gz WYPDKQFBOORXEX-NSHDSACASA-N 1 0 207.317 3.061 20 10 BGCDRO CCCC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000050886975 343619795 /nfs/dbraw/zinc/61/97/95/343619795.db2.gz DHEARIHLCKRGHB-LLVKDONJSA-N 1 0 237.343 3.069 20 10 BGCDRO CCCC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000050886976 343620087 /nfs/dbraw/zinc/62/00/87/343620087.db2.gz DHEARIHLCKRGHB-NSHDSACASA-N 1 0 237.343 3.069 20 10 BGCDRO CCCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000050887185 642357373 /nfs/dbraw/zinc/35/73/73/642357373.db2.gz DZWCPEVIDMLPTO-LLVKDONJSA-N 1 0 237.343 3.069 20 10 BGCDRO CCCC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000050887186 642357064 /nfs/dbraw/zinc/35/70/64/642357064.db2.gz DZWCPEVIDMLPTO-NSHDSACASA-N 1 0 237.343 3.069 20 10 BGCDRO CCCC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000050887693 642357233 /nfs/dbraw/zinc/35/72/33/642357233.db2.gz FMXSMMCDNCFCGK-GFCCVEGCSA-N 1 0 233.355 3.290 20 10 BGCDRO CCCC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000050887694 642357012 /nfs/dbraw/zinc/35/70/12/642357012.db2.gz FMXSMMCDNCFCGK-LBPRGKRZSA-N 1 0 233.355 3.290 20 10 BGCDRO CCCC[C@@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000050887753 642357749 /nfs/dbraw/zinc/35/77/49/642357749.db2.gz IUOCBLIEQYGENI-LLVKDONJSA-N 1 0 237.343 3.069 20 10 BGCDRO CCCC[C@H](C)[NH2+]Cc1ccc(OC)cc1O ZINC000050887754 642357765 /nfs/dbraw/zinc/35/77/65/642357765.db2.gz IUOCBLIEQYGENI-NSHDSACASA-N 1 0 237.343 3.069 20 10 BGCDRO Cc1cccc(CC[NH2+]Cc2ccccc2O)c1 ZINC000051668699 179058479 /nfs/dbraw/zinc/05/84/79/179058479.db2.gz SJUXLIPGOOIUDP-UHFFFAOYSA-N 1 0 241.334 3.033 20 10 BGCDRO C[C@H]([NH2+]Cc1ccccc1O)C1CCCCC1 ZINC000052332598 632127294 /nfs/dbraw/zinc/12/72/94/632127294.db2.gz QPVRTVQGWCSRDW-LBPRGKRZSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccccc1O)C1CCCCC1 ZINC000052332601 632127725 /nfs/dbraw/zinc/12/77/25/632127725.db2.gz QPVRTVQGWCSRDW-GFCCVEGCSA-N 1 0 233.355 3.451 20 10 BGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2O)o1 ZINC000053036081 643654653 /nfs/dbraw/zinc/65/46/53/643654653.db2.gz KOAZSLBYABXKIT-GFCCVEGCSA-N 1 0 245.322 3.453 20 10 BGCDRO COc1ccc(C[NH2+]Cc2ccc(C)o2)cc1C ZINC000053036614 711648694 /nfs/dbraw/zinc/64/86/94/711648694.db2.gz BRRTVFXFQSMMSA-UHFFFAOYSA-N 1 0 245.322 3.195 20 10 BGCDRO Oc1ccccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000053148779 183303360 /nfs/dbraw/zinc/30/33/60/183303360.db2.gz JETOJNAMDIYEAG-UHFFFAOYSA-N 1 0 247.725 3.335 20 10 BGCDRO c1csc(SCCC[NH2+]C2CCCC2)n1 ZINC000053647045 634285404 /nfs/dbraw/zinc/28/54/04/634285404.db2.gz CNMPRHYFXTXNDG-UHFFFAOYSA-N 1 0 242.413 3.158 20 10 BGCDRO CC[C@@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000054467199 636720321 /nfs/dbraw/zinc/72/03/21/636720321.db2.gz SPOWQSRDZYYCQV-MNOVXSKESA-N 1 0 237.343 3.098 20 10 BGCDRO CC[C@H](C)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000054467200 636720556 /nfs/dbraw/zinc/72/05/56/636720556.db2.gz SPOWQSRDZYYCQV-QWRGUYRKSA-N 1 0 237.343 3.098 20 10 BGCDRO CC[C@@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000054467202 636720631 /nfs/dbraw/zinc/72/06/31/636720631.db2.gz SPOWQSRDZYYCQV-GHMZBOCLSA-N 1 0 237.343 3.098 20 10 BGCDRO CC[C@H](C)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000054467205 636720775 /nfs/dbraw/zinc/72/07/75/636720775.db2.gz SPOWQSRDZYYCQV-WDEREUQCSA-N 1 0 237.343 3.098 20 10 BGCDRO CC[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000054467325 636719590 /nfs/dbraw/zinc/71/95/90/636719590.db2.gz IDLUEXOLINLZMU-SECBINFHSA-N 1 0 227.735 3.181 20 10 BGCDRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000054467359 636720715 /nfs/dbraw/zinc/72/07/15/636720715.db2.gz PSTJYWVVVQBVPF-MNOVXSKESA-N 1 0 207.317 3.089 20 10 BGCDRO CC[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000054467361 636720671 /nfs/dbraw/zinc/72/06/71/636720671.db2.gz PSTJYWVVVQBVPF-QWRGUYRKSA-N 1 0 207.317 3.089 20 10 BGCDRO CC[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000054467363 636720541 /nfs/dbraw/zinc/72/05/41/636720541.db2.gz PSTJYWVVVQBVPF-GHMZBOCLSA-N 1 0 207.317 3.089 20 10 BGCDRO CC[C@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000054467365 636720973 /nfs/dbraw/zinc/72/09/73/636720973.db2.gz PSTJYWVVVQBVPF-WDEREUQCSA-N 1 0 207.317 3.089 20 10 BGCDRO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000054468292 636720587 /nfs/dbraw/zinc/72/05/87/636720587.db2.gz KZEYAVGKVXDKTO-OLZOCXBDSA-N 1 0 234.387 3.449 20 10 BGCDRO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000054468295 636720433 /nfs/dbraw/zinc/72/04/33/636720433.db2.gz KZEYAVGKVXDKTO-STQMWFEESA-N 1 0 234.387 3.449 20 10 BGCDRO CC[C@@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000054468297 636720757 /nfs/dbraw/zinc/72/07/57/636720757.db2.gz KZEYAVGKVXDKTO-CHWSQXEVSA-N 1 0 234.387 3.449 20 10 BGCDRO CC[C@H](C)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000054468299 636720864 /nfs/dbraw/zinc/72/08/64/636720864.db2.gz KZEYAVGKVXDKTO-QWHCGFSZSA-N 1 0 234.387 3.449 20 10 BGCDRO CC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000054469047 643669060 /nfs/dbraw/zinc/66/90/60/643669060.db2.gz HJDRHKROEJKRNE-CYBMUJFWSA-N 1 0 246.398 3.205 20 10 BGCDRO CC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000054469050 636720373 /nfs/dbraw/zinc/72/03/73/636720373.db2.gz HJDRHKROEJKRNE-ZDUSSCGKSA-N 1 0 246.398 3.205 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H](C)C2)cc1C ZINC000058584161 644164066 /nfs/dbraw/zinc/16/40/66/644164066.db2.gz PAZXYVFVFHFWCR-NSHDSACASA-N 1 0 233.355 3.241 20 10 BGCDRO CC1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000058591256 640721790 /nfs/dbraw/zinc/72/17/90/640721790.db2.gz ZGCLOIQJJJFKMA-UHFFFAOYSA-N 1 0 245.366 3.113 20 10 BGCDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)C)cc1 ZINC000059382854 640807542 /nfs/dbraw/zinc/80/75/42/640807542.db2.gz ZCLOXWDKMWDPPY-UHFFFAOYSA-N 1 0 234.387 3.278 20 10 BGCDRO COc1ccc(C[NH2+]Cc2ccsc2)cc1C ZINC000060942244 175107963 /nfs/dbraw/zinc/10/79/63/175107963.db2.gz ZWFJMACVECOEQC-UHFFFAOYSA-N 1 0 247.363 3.355 20 10 BGCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ccsc1 ZINC000061360661 640957014 /nfs/dbraw/zinc/95/70/14/640957014.db2.gz XUIVHIOTTLYPRS-JTQLQIEISA-N 1 0 233.336 3.305 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccsc1 ZINC000061360662 640957211 /nfs/dbraw/zinc/95/72/11/640957211.db2.gz XUIVHIOTTLYPRS-SNVBAGLBSA-N 1 0 233.336 3.305 20 10 BGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000062183896 343736367 /nfs/dbraw/zinc/73/63/67/343736367.db2.gz NVRSOJSZYWYFPJ-CYBMUJFWSA-N 1 0 219.328 3.157 20 10 BGCDRO CC[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000062183899 385163640 /nfs/dbraw/zinc/16/36/40/385163640.db2.gz NVRSOJSZYWYFPJ-ZDUSSCGKSA-N 1 0 219.328 3.157 20 10 BGCDRO c1cc2c(cc1C[NH2+]C1CCCC1)CCCO2 ZINC000062351245 183368501 /nfs/dbraw/zinc/36/85/01/183368501.db2.gz HRBBILGQEODRLF-UHFFFAOYSA-N 1 0 231.339 3.044 20 10 BGCDRO CC[C@H]([NH2+]CCC(F)(F)F)c1ccccc1O ZINC000063098714 642310295 /nfs/dbraw/zinc/31/02/95/642310295.db2.gz DDEHPKYFMYBFSL-JTQLQIEISA-N 1 0 247.260 3.385 20 10 BGCDRO CC[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1O ZINC000063098715 641131754 /nfs/dbraw/zinc/13/17/54/641131754.db2.gz DDEHPKYFMYBFSL-SNVBAGLBSA-N 1 0 247.260 3.385 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(F)(F)F)c(O)c1 ZINC000063099185 641131476 /nfs/dbraw/zinc/13/14/76/641131476.db2.gz KNDPEHSJHYBWOM-SECBINFHSA-N 1 0 247.260 3.304 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCC(F)(F)F)c(O)c1 ZINC000063099186 641130837 /nfs/dbraw/zinc/13/08/37/641130837.db2.gz KNDPEHSJHYBWOM-VIFPVBQESA-N 1 0 247.260 3.304 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000063099397 641131740 /nfs/dbraw/zinc/13/17/40/641131740.db2.gz XMESIYKCPZZNAI-SECBINFHSA-N 1 0 247.260 3.304 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(F)(F)F)c1 ZINC000063099398 641131250 /nfs/dbraw/zinc/13/12/50/641131250.db2.gz XMESIYKCPZZNAI-VIFPVBQESA-N 1 0 247.260 3.304 20 10 BGCDRO COc1ccc(C[NH2+]CCC(F)(F)F)cc1C ZINC000063099576 641132038 /nfs/dbraw/zinc/13/20/38/641132038.db2.gz XXFNCJALUYOHDK-UHFFFAOYSA-N 1 0 247.260 3.046 20 10 BGCDRO C[C@H]([NH2+]Cc1ccsc1)c1ccccc1O ZINC000063152097 641138392 /nfs/dbraw/zinc/13/83/92/641138392.db2.gz LUANHYIQFUPFSC-JTQLQIEISA-N 1 0 233.336 3.305 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccsc1)c1ccccc1O ZINC000063152098 641137941 /nfs/dbraw/zinc/13/79/41/641137941.db2.gz LUANHYIQFUPFSC-SNVBAGLBSA-N 1 0 233.336 3.305 20 10 BGCDRO CCC[N@H+](C)Cc1c(O)ccc2ccccc21 ZINC000063730663 169079921 /nfs/dbraw/zinc/07/99/21/169079921.db2.gz MHWVRTOMGGIHRZ-UHFFFAOYSA-N 1 0 229.323 3.387 20 10 BGCDRO COc1cccc(C[NH2+]CC2(C)CCCC2)c1O ZINC000066594357 175263441 /nfs/dbraw/zinc/26/34/41/175263441.db2.gz SIYYLHIMFKMBPZ-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO CC1(C[NH2+]Cc2ccccc2O)CCCC1 ZINC000066594360 168044510 /nfs/dbraw/zinc/04/45/10/168044510.db2.gz HDOYDOUAJZLMGO-UHFFFAOYSA-N 1 0 219.328 3.062 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CC2(C)CCCC2)c1 ZINC000066738151 633175100 /nfs/dbraw/zinc/17/51/00/633175100.db2.gz ZBYLFAVEPCXCRJ-UHFFFAOYSA-N 1 0 233.355 3.371 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000066995659 635402068 /nfs/dbraw/zinc/40/20/68/635402068.db2.gz PAZXYVFVFHFWCR-LLVKDONJSA-N 1 0 233.355 3.241 20 10 BGCDRO Oc1ccccc1C[NH2+]C1(c2ccccc2)CC1 ZINC000068979900 362481163 /nfs/dbraw/zinc/48/11/63/362481163.db2.gz IHGSQROPSIWRRK-UHFFFAOYSA-N 1 0 239.318 3.171 20 10 BGCDRO CSCCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000068997488 642384831 /nfs/dbraw/zinc/38/48/31/642384831.db2.gz WNLWKFUDILOKML-LLVKDONJSA-N 1 0 239.384 3.104 20 10 BGCDRO CSCCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000068997491 642384674 /nfs/dbraw/zinc/38/46/74/642384674.db2.gz WNLWKFUDILOKML-NSHDSACASA-N 1 0 239.384 3.104 20 10 BGCDRO CSCCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000068997584 384026567 /nfs/dbraw/zinc/02/65/67/384026567.db2.gz BERXYQHOOMDJID-LLVKDONJSA-N 1 0 239.384 3.104 20 10 BGCDRO CSCCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000068997586 384026686 /nfs/dbraw/zinc/02/66/86/384026686.db2.gz BERXYQHOOMDJID-NSHDSACASA-N 1 0 239.384 3.104 20 10 BGCDRO CC[C@H]([NH2+]CCCSC)c1ccccc1O ZINC000068997671 384026675 /nfs/dbraw/zinc/02/66/75/384026675.db2.gz UMIUVAUIVWGVQH-LBPRGKRZSA-N 1 0 239.384 3.186 20 10 BGCDRO CC[C@@H]([NH2+]CCCSC)c1ccccc1O ZINC000068997675 384026776 /nfs/dbraw/zinc/02/67/76/384026776.db2.gz UMIUVAUIVWGVQH-GFCCVEGCSA-N 1 0 239.384 3.186 20 10 BGCDRO Cc1csc([C@@H](C)[NH2+]Cc2ccccc2O)n1 ZINC000069168283 642834830 /nfs/dbraw/zinc/83/48/30/642834830.db2.gz MTLRKOURONXZJU-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1csc([C@H](C)[NH2+]Cc2ccccc2O)n1 ZINC000069168284 642834791 /nfs/dbraw/zinc/83/47/91/642834791.db2.gz MTLRKOURONXZJU-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO C[C@@H](CC1CC1)[NH2+][C@@H](C)c1ccccc1O ZINC000069661988 642892938 /nfs/dbraw/zinc/89/29/38/642892938.db2.gz NPQCLRBJWZPNFR-QWRGUYRKSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H](CC1CC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000069662750 642890525 /nfs/dbraw/zinc/89/05/25/642890525.db2.gz OUAMEWVGBISILH-VIFPVBQESA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H](CC1CC1)[NH2+]Cc1cc(Cl)ccc1O ZINC000069662755 642891705 /nfs/dbraw/zinc/89/17/05/642891705.db2.gz OUAMEWVGBISILH-SECBINFHSA-N 1 0 239.746 3.324 20 10 BGCDRO CC[N@@H+](Cc1cc(C)c(C)cc1O)CC1CC1 ZINC000069797371 642914207 /nfs/dbraw/zinc/91/42/07/642914207.db2.gz VDMGLKVCFUYEBU-UHFFFAOYSA-N 1 0 233.355 3.241 20 10 BGCDRO C[C@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000069803927 582674571 /nfs/dbraw/zinc/67/45/71/582674571.db2.gz ROGRSYQNURGEMU-NSHDSACASA-N 1 0 219.328 3.061 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000069803929 582674597 /nfs/dbraw/zinc/67/45/97/582674597.db2.gz ROGRSYQNURGEMU-LLVKDONJSA-N 1 0 219.328 3.061 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC2CC2)c1 ZINC000070100850 642969522 /nfs/dbraw/zinc/96/95/22/642969522.db2.gz DFXBEFDITCDMER-QWRGUYRKSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC2CC2)c1 ZINC000070100851 642968595 /nfs/dbraw/zinc/96/85/95/642968595.db2.gz DFXBEFDITCDMER-MNOVXSKESA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC2CC2)c1 ZINC000070100852 642969064 /nfs/dbraw/zinc/96/90/64/642969064.db2.gz DFXBEFDITCDMER-WDEREUQCSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC2CC2)c1 ZINC000070100853 642970100 /nfs/dbraw/zinc/97/01/00/642970100.db2.gz DFXBEFDITCDMER-GHMZBOCLSA-N 1 0 249.354 3.240 20 10 BGCDRO C[C@@H](CC1CC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000070101730 384079435 /nfs/dbraw/zinc/07/94/35/384079435.db2.gz URWYXVFDKCVMAX-LBPRGKRZSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@H](CC1CC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000070101731 384080019 /nfs/dbraw/zinc/08/00/19/384080019.db2.gz URWYXVFDKCVMAX-GFCCVEGCSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)[C@H](C)C1 ZINC000070111423 642972896 /nfs/dbraw/zinc/97/28/96/642972896.db2.gz WASSGIHDDLBBTQ-BZPMIXESSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)[C@H](C)C1 ZINC000070111425 642971036 /nfs/dbraw/zinc/97/10/36/642971036.db2.gz WASSGIHDDLBBTQ-YRGRVCCFSA-N 1 0 233.355 3.307 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000070305110 175158593 /nfs/dbraw/zinc/15/85/93/175158593.db2.gz LRBMKZANUOGPPO-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000070305111 175159483 /nfs/dbraw/zinc/15/94/83/175159483.db2.gz LRBMKZANUOGPPO-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C2CCCC2)c1 ZINC000070305364 643013587 /nfs/dbraw/zinc/01/35/87/643013587.db2.gz OERNSHHMVLDJPB-LBPRGKRZSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C2CCCC2)c1 ZINC000070305365 643014567 /nfs/dbraw/zinc/01/45/67/643014567.db2.gz OERNSHHMVLDJPB-GFCCVEGCSA-N 1 0 233.355 3.369 20 10 BGCDRO COc1cccc(C[NH2+][C@@H](C)C2CCCC2)c1O ZINC000070305443 175265377 /nfs/dbraw/zinc/26/53/77/175265377.db2.gz CFNKOASREKICOJ-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@H](C)C2CCCC2)c1O ZINC000070305444 175266828 /nfs/dbraw/zinc/26/68/28/175266828.db2.gz CFNKOASREKICOJ-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000070305585 643012778 /nfs/dbraw/zinc/01/27/78/643012778.db2.gz SALJCBHCCIHOMU-LBPRGKRZSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCCC1 ZINC000070305586 643013326 /nfs/dbraw/zinc/01/33/26/643013326.db2.gz SALJCBHCCIHOMU-GFCCVEGCSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000070826713 643072627 /nfs/dbraw/zinc/07/26/27/643072627.db2.gz SIOCGUBYXQZSEO-SKDRFNHKSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000070826718 643071603 /nfs/dbraw/zinc/07/16/03/643071603.db2.gz SIOCGUBYXQZSEO-CABZTGNLSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000070826721 643072576 /nfs/dbraw/zinc/07/25/76/643072576.db2.gz SIOCGUBYXQZSEO-BXKDBHETSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000070826725 643073063 /nfs/dbraw/zinc/07/30/63/643073063.db2.gz SIOCGUBYXQZSEO-JOYOIKCWSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1O ZINC000070826780 398139069 /nfs/dbraw/zinc/13/90/69/398139069.db2.gz VCUGTYAYVXFNST-MDZLAQPJSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1O ZINC000070826784 398139257 /nfs/dbraw/zinc/13/92/57/398139257.db2.gz VCUGTYAYVXFNST-GVXVVHGQSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1O ZINC000070826791 398139407 /nfs/dbraw/zinc/13/94/07/398139407.db2.gz VCUGTYAYVXFNST-NTZNESFSSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1O ZINC000070826793 398139373 /nfs/dbraw/zinc/13/93/73/398139373.db2.gz VCUGTYAYVXFNST-GMXVVIOVSA-N 1 0 219.328 3.231 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2CCCCC2)c1 ZINC000070954540 384144052 /nfs/dbraw/zinc/14/40/52/384144052.db2.gz OJPWGQBMJUMAFL-UHFFFAOYSA-N 1 0 219.328 3.123 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccs2)c1 ZINC000070954983 642447139 /nfs/dbraw/zinc/44/71/39/642447139.db2.gz ZFIZBPYCKWXNJH-UHFFFAOYSA-N 1 0 233.336 3.052 20 10 BGCDRO CCCCCC[NH2+]Cc1cc(C)ccc1O ZINC000070955014 643086756 /nfs/dbraw/zinc/08/67/56/643086756.db2.gz AUCDBNJQHHFQHD-UHFFFAOYSA-N 1 0 221.344 3.371 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC(C)C)c1 ZINC000070955151 643086849 /nfs/dbraw/zinc/08/68/49/643086849.db2.gz PJYPEJSRIBVHJD-LBPRGKRZSA-N 1 0 221.344 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC(C)C)c1 ZINC000070955154 643086432 /nfs/dbraw/zinc/08/64/32/643086432.db2.gz PJYPEJSRIBVHJD-GFCCVEGCSA-N 1 0 221.344 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCCC(C)C)c1 ZINC000070955277 642446723 /nfs/dbraw/zinc/44/67/23/642446723.db2.gz IWQAOOHPNSSHEY-UHFFFAOYSA-N 1 0 221.344 3.226 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2(C)CCCC2)c1 ZINC000070955292 384143007 /nfs/dbraw/zinc/14/30/07/384143007.db2.gz RQYCTNIXZCNBST-UHFFFAOYSA-N 1 0 219.328 3.123 20 10 BGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070955331 643087063 /nfs/dbraw/zinc/08/70/63/643087063.db2.gz LUZZOFHCWYAPTE-VXGBXAGGSA-N 1 0 221.344 3.225 20 10 BGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070955336 643086601 /nfs/dbraw/zinc/08/66/01/643086601.db2.gz LUZZOFHCWYAPTE-NWDGAFQWSA-N 1 0 221.344 3.225 20 10 BGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070955339 643085914 /nfs/dbraw/zinc/08/59/14/643085914.db2.gz LUZZOFHCWYAPTE-NEPJUHHUSA-N 1 0 221.344 3.225 20 10 BGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070955344 643085857 /nfs/dbraw/zinc/08/58/57/643085857.db2.gz LUZZOFHCWYAPTE-RYUDHWBXSA-N 1 0 221.344 3.225 20 10 BGCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000070955356 643087449 /nfs/dbraw/zinc/08/74/49/643087449.db2.gz FOEPQXRJMGQGPZ-ZDUSSCGKSA-N 1 0 221.344 3.225 20 10 BGCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)C(C)C ZINC000070955360 643086736 /nfs/dbraw/zinc/08/67/36/643086736.db2.gz FOEPQXRJMGQGPZ-CYBMUJFWSA-N 1 0 221.344 3.225 20 10 BGCDRO CCC[C@@H](CC)[NH2+]Cc1cc(C)ccc1O ZINC000070955656 642448754 /nfs/dbraw/zinc/44/87/54/642448754.db2.gz GIQMQWRIOQXFDZ-CYBMUJFWSA-N 1 0 221.344 3.369 20 10 BGCDRO CCC[C@H](CC)[NH2+]Cc1cc(C)ccc1O ZINC000070955657 643086699 /nfs/dbraw/zinc/08/66/99/643086699.db2.gz GIQMQWRIOQXFDZ-ZDUSSCGKSA-N 1 0 221.344 3.369 20 10 BGCDRO CCCC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070955661 643087491 /nfs/dbraw/zinc/08/74/91/643087491.db2.gz KUJZUJRNGSMHRA-GFCCVEGCSA-N 1 0 221.344 3.369 20 10 BGCDRO CCCC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070955665 643086788 /nfs/dbraw/zinc/08/67/88/643086788.db2.gz KUJZUJRNGSMHRA-LBPRGKRZSA-N 1 0 221.344 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccsc2)c1 ZINC000070955739 643087148 /nfs/dbraw/zinc/08/71/48/643087148.db2.gz ZBOSLVKKCOWLGC-UHFFFAOYSA-N 1 0 233.336 3.052 20 10 BGCDRO CC[N@H+](C)Cc1ccc(N2CCCCC2)cc1 ZINC000071123642 132391296 /nfs/dbraw/zinc/39/12/96/132391296.db2.gz UVEFLMYLENDWQP-UHFFFAOYSA-N 1 0 232.371 3.129 20 10 BGCDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000071205422 176132304 /nfs/dbraw/zinc/13/23/04/176132304.db2.gz CORHXPDVMGLNPI-DOMZBBRYSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000071205423 177127143 /nfs/dbraw/zinc/12/71/43/177127143.db2.gz CORHXPDVMGLNPI-WFASDCNBSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000071205424 176150508 /nfs/dbraw/zinc/15/05/08/176150508.db2.gz CORHXPDVMGLNPI-IUODEOHRSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000071205425 177143126 /nfs/dbraw/zinc/14/31/26/177143126.db2.gz CORHXPDVMGLNPI-SWLSCSKDSA-N 1 0 232.371 3.031 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000071205594 175159997 /nfs/dbraw/zinc/15/99/97/175159997.db2.gz TZMWDVYZVAPPJL-SUNKGSAMSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c1 ZINC000071205595 175160925 /nfs/dbraw/zinc/16/09/25/175160925.db2.gz TZMWDVYZVAPPJL-MJVIPROJSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000071205596 175160622 /nfs/dbraw/zinc/16/06/22/175160622.db2.gz TZMWDVYZVAPPJL-UHIISALHSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c1 ZINC000071205597 175160654 /nfs/dbraw/zinc/16/06/54/175160654.db2.gz TZMWDVYZVAPPJL-COPLHBTASA-N 1 0 249.354 3.240 20 10 BGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2C)c1O ZINC000071205638 384152861 /nfs/dbraw/zinc/15/28/61/384152861.db2.gz KEZBCVCJLCCFIJ-WCQYABFASA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@@H]2C)c1O ZINC000071205639 384153823 /nfs/dbraw/zinc/15/38/23/384153823.db2.gz KEZBCVCJLCCFIJ-AAEUAGOBSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2C)c1O ZINC000071205640 384154514 /nfs/dbraw/zinc/15/45/14/384154514.db2.gz KEZBCVCJLCCFIJ-DGCLKSJQSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@H]2CCC[C@H]2C)c1O ZINC000071205641 384154705 /nfs/dbraw/zinc/15/47/05/384154705.db2.gz KEZBCVCJLCCFIJ-YPMHNXCESA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C)cc1C ZINC000071206654 175110263 /nfs/dbraw/zinc/11/02/63/175110263.db2.gz IDXAQZVWAWEIQT-SMDDNHRTSA-N 1 0 233.355 3.282 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]2C)cc1C ZINC000071206655 175112384 /nfs/dbraw/zinc/11/23/84/175112384.db2.gz IDXAQZVWAWEIQT-FZMZJTMJSA-N 1 0 233.355 3.282 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]2C)cc1C ZINC000071206656 175110603 /nfs/dbraw/zinc/11/06/03/175110603.db2.gz IDXAQZVWAWEIQT-BXUZGUMPSA-N 1 0 233.355 3.282 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@H]2C)cc1C ZINC000071206657 175111854 /nfs/dbraw/zinc/11/18/54/175111854.db2.gz IDXAQZVWAWEIQT-RISCZKNCSA-N 1 0 233.355 3.282 20 10 BGCDRO Cc1ncsc1C[NH2+][C@@H](C)c1ccccc1O ZINC000071212521 643108192 /nfs/dbraw/zinc/10/81/92/643108192.db2.gz LGDDRTPKZKMARC-VIFPVBQESA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ncsc1C[NH2+][C@H](C)c1ccccc1O ZINC000071212522 643108731 /nfs/dbraw/zinc/10/87/31/643108731.db2.gz LGDDRTPKZKMARC-SECBINFHSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2CCC(C)CC2)c1 ZINC000071406088 643140282 /nfs/dbraw/zinc/14/02/82/643140282.db2.gz NAOFHLRPKMSAIX-UHFFFAOYSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccccc2)c1 ZINC000071406108 384165520 /nfs/dbraw/zinc/16/55/20/384165520.db2.gz RURFKCKCYLGIKG-UHFFFAOYSA-N 1 0 241.334 3.033 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccc(F)cc2)c1 ZINC000071406138 643140094 /nfs/dbraw/zinc/14/00/94/643140094.db2.gz KFYGAMQNVCEELT-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2C)c1 ZINC000071406140 643140240 /nfs/dbraw/zinc/14/02/40/643140240.db2.gz IYEOHHGOVRKUOD-GXTWGEPZSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCC[C@@H]2C)c1 ZINC000071406141 643139994 /nfs/dbraw/zinc/13/99/94/643139994.db2.gz IYEOHHGOVRKUOD-JSGCOSHPSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2C)c1 ZINC000071406142 643140203 /nfs/dbraw/zinc/14/02/03/643140203.db2.gz IYEOHHGOVRKUOD-TZMCWYRMSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCC[C@H]2C)c1 ZINC000071406143 643140526 /nfs/dbraw/zinc/14/05/26/643140526.db2.gz IYEOHHGOVRKUOD-OCCSQVGLSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCc2cccs2)c1 ZINC000071406146 187615158 /nfs/dbraw/zinc/61/51/58/187615158.db2.gz XCAKLRNACMGDFI-UHFFFAOYSA-N 1 0 247.363 3.094 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2F)c1 ZINC000071406147 188130949 /nfs/dbraw/zinc/13/09/49/188130949.db2.gz XLHVGPNSLDKZDR-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2cc(C)ccc2O)cc1 ZINC000071406215 384166231 /nfs/dbraw/zinc/16/62/31/384166231.db2.gz RJBXVEGJVZAVGF-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000071406531 179094405 /nfs/dbraw/zinc/09/44/05/179094405.db2.gz PGGSFEZACHJUJA-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]Cc2cccc(F)c2)c1 ZINC000071406905 187275565 /nfs/dbraw/zinc/27/55/65/187275565.db2.gz UCHUOJDXAVGYCO-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H](C)C2)c1 ZINC000071407026 711898364 /nfs/dbraw/zinc/89/83/64/711898364.db2.gz FIWHLQGDBBAVKT-SMDDNHRTSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@H](C)C2)c1 ZINC000071407027 711898337 /nfs/dbraw/zinc/89/83/37/711898337.db2.gz FIWHLQGDBBAVKT-FZMZJTMJSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1 ZINC000071407028 711898352 /nfs/dbraw/zinc/89/83/52/711898352.db2.gz FIWHLQGDBBAVKT-BXUZGUMPSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H](C)C2)c1 ZINC000071407029 711898361 /nfs/dbraw/zinc/89/83/61/711898361.db2.gz FIWHLQGDBBAVKT-RISCZKNCSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CC2CCCCC2)c1 ZINC000071407033 711898313 /nfs/dbraw/zinc/89/83/13/711898313.db2.gz DJNASBHVIUGVKS-UHFFFAOYSA-N 1 0 233.355 3.371 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)Cc2ccco2)c1 ZINC000071407536 643144018 /nfs/dbraw/zinc/14/40/18/643144018.db2.gz BCDVBESTFAIXEH-LBPRGKRZSA-N 1 0 245.322 3.014 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)Cc2ccco2)c1 ZINC000071407537 643142024 /nfs/dbraw/zinc/14/20/24/643142024.db2.gz BCDVBESTFAIXEH-GFCCVEGCSA-N 1 0 245.322 3.014 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]Cc2ccccc2C)c1 ZINC000071408020 188130607 /nfs/dbraw/zinc/13/06/07/188130607.db2.gz PKHODZGTXAGOOB-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCC2CCCC2)c1 ZINC000071408024 643141725 /nfs/dbraw/zinc/14/17/25/643141725.db2.gz ZLEIINTYTHETHE-UHFFFAOYSA-N 1 0 233.355 3.371 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCc2ccsc2)c1 ZINC000071408372 187275434 /nfs/dbraw/zinc/27/54/34/187275434.db2.gz DRDUZFKIZDHRRC-UHFFFAOYSA-N 1 0 247.363 3.094 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000071408755 384166601 /nfs/dbraw/zinc/16/66/01/384166601.db2.gz JADBWIGLYHXRFN-ZDUSSCGKSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000071408757 384165662 /nfs/dbraw/zinc/16/56/62/384165662.db2.gz JADBWIGLYHXRFN-CYBMUJFWSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2cc(C)ccc2O)s1 ZINC000071408906 384164537 /nfs/dbraw/zinc/16/45/37/384164537.db2.gz MWKHKZNQJLXWAP-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000071428852 643148569 /nfs/dbraw/zinc/14/85/69/643148569.db2.gz ZQYDBTPQJAPQKX-ZDUSSCGKSA-N 1 0 240.350 3.162 20 10 BGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccccc1 ZINC000071428853 643147127 /nfs/dbraw/zinc/14/71/27/643147127.db2.gz ZQYDBTPQJAPQKX-CYBMUJFWSA-N 1 0 240.350 3.162 20 10 BGCDRO C[N@H+](Cc1c(O)ccc2ccccc21)C1CC1 ZINC000073586076 643689638 /nfs/dbraw/zinc/68/96/38/643689638.db2.gz HHPQQVVNYFPFFH-UHFFFAOYSA-N 1 0 227.307 3.140 20 10 BGCDRO CCCC[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000074172440 644289846 /nfs/dbraw/zinc/28/98/46/644289846.db2.gz FKYYMVXOIADOFD-UHFFFAOYSA-N 1 0 221.344 3.241 20 10 BGCDRO CC1(C)CCC([NH2+]Cc2ccccc2O)CC1 ZINC000075169849 632593890 /nfs/dbraw/zinc/59/38/90/632593890.db2.gz GHKGQESNVZGZFY-UHFFFAOYSA-N 1 0 233.355 3.451 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C(C)C)C2CC2)cc1C ZINC000075666381 641768013 /nfs/dbraw/zinc/76/80/13/641768013.db2.gz JUWGITJWYRGXKZ-UHFFFAOYSA-N 1 0 233.355 3.382 20 10 BGCDRO CCC[N@@H+](Cc1ccccc1O)CC(C)C ZINC000075829114 643698152 /nfs/dbraw/zinc/69/81/52/643698152.db2.gz CEJJQFWXNALNIH-UHFFFAOYSA-N 1 0 221.344 3.260 20 10 BGCDRO CCC[N@H+](Cc1ccccc1O)C(C)C ZINC000076074167 169177771 /nfs/dbraw/zinc/17/77/71/169177771.db2.gz KZRKUSNMEODKTJ-UHFFFAOYSA-N 1 0 207.317 3.013 20 10 BGCDRO CCC[N@H+](C/C=C/Cl)Cc1ccccc1O ZINC000076074221 169089979 /nfs/dbraw/zinc/08/99/79/169089979.db2.gz XABYAOHXIDORNN-VMPITWQZSA-N 1 0 239.746 3.357 20 10 BGCDRO CCCC[N@H+](CCC)Cc1ccccc1O ZINC000076293256 641807744 /nfs/dbraw/zinc/80/77/44/641807744.db2.gz IEXYLGVHAUOMKQ-UHFFFAOYSA-N 1 0 221.344 3.404 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH2+]CCCC1CC1 ZINC000076768072 641826283 /nfs/dbraw/zinc/82/62/83/641826283.db2.gz ABBJMASGQWKJLQ-UHFFFAOYSA-N 1 0 239.746 3.325 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)C(C)C)c1 ZINC000077897043 631331454 /nfs/dbraw/zinc/33/14/54/631331454.db2.gz HOSIKWODYVXJNG-GFCCVEGCSA-N 1 0 221.344 3.082 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)C(C)C)c1 ZINC000077897044 641887441 /nfs/dbraw/zinc/88/74/41/641887441.db2.gz HOSIKWODYVXJNG-LBPRGKRZSA-N 1 0 221.344 3.082 20 10 BGCDRO CCc1ccccc1C[NH2+]Cc1ccccc1O ZINC000077901702 387917621 /nfs/dbraw/zinc/91/76/21/387917621.db2.gz HGQFEIQBGXMXJK-UHFFFAOYSA-N 1 0 241.334 3.244 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccccc1O)c1nccs1 ZINC000078003969 636856270 /nfs/dbraw/zinc/85/62/70/636856270.db2.gz KJTARMOJMRVHMD-NSHDSACASA-N 1 0 248.351 3.090 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccccc1O)c1nccs1 ZINC000078003971 641895064 /nfs/dbraw/zinc/89/50/64/641895064.db2.gz KJTARMOJMRVHMD-LLVKDONJSA-N 1 0 248.351 3.090 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CC=CCC2)cc1C ZINC000080123871 175111358 /nfs/dbraw/zinc/11/13/58/175111358.db2.gz VLHIZTHOKKJYRE-AWEZNQCLSA-N 1 0 231.339 3.202 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2CC=CCC2)cc1C ZINC000080123876 188269667 /nfs/dbraw/zinc/26/96/67/188269667.db2.gz VLHIZTHOKKJYRE-CQSZACIVSA-N 1 0 231.339 3.202 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000080428333 644259060 /nfs/dbraw/zinc/25/90/60/644259060.db2.gz RBGRELSBKVGDQC-OCCSQVGLSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000080428336 644260592 /nfs/dbraw/zinc/26/05/92/644260592.db2.gz RBGRELSBKVGDQC-JSGCOSHPSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000080428338 644260074 /nfs/dbraw/zinc/26/00/74/644260074.db2.gz RBGRELSBKVGDQC-TZMCWYRMSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000080428342 644260102 /nfs/dbraw/zinc/26/01/02/644260102.db2.gz RBGRELSBKVGDQC-GXTWGEPZSA-N 1 0 232.371 3.031 20 10 BGCDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000081044342 643190682 /nfs/dbraw/zinc/19/06/82/643190682.db2.gz FBQNCUXXEVWBFK-MNOVXSKESA-N 1 0 239.334 3.474 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000081044345 643190441 /nfs/dbraw/zinc/19/04/41/643190441.db2.gz FBQNCUXXEVWBFK-WDEREUQCSA-N 1 0 239.334 3.474 20 10 BGCDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000081044350 643191295 /nfs/dbraw/zinc/19/12/95/643191295.db2.gz FBQNCUXXEVWBFK-GHMZBOCLSA-N 1 0 239.334 3.474 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000081046264 631389321 /nfs/dbraw/zinc/38/93/21/631389321.db2.gz ZEPWAHKGAABKSW-ZDUSSCGKSA-N 1 0 234.387 3.134 20 10 BGCDRO CC(C)[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000081046267 644303322 /nfs/dbraw/zinc/30/33/22/644303322.db2.gz ZEPWAHKGAABKSW-CYBMUJFWSA-N 1 0 234.387 3.134 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000081046373 644303177 /nfs/dbraw/zinc/30/31/77/644303177.db2.gz BZGXYRDHDJXJAL-JTQLQIEISA-N 1 0 241.762 3.427 20 10 BGCDRO CC(C)[C@H](C)C[NH2+]Cc1cc(Cl)ccc1O ZINC000081046374 644303072 /nfs/dbraw/zinc/30/30/72/644303072.db2.gz BZGXYRDHDJXJAL-SNVBAGLBSA-N 1 0 241.762 3.427 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000081047051 636865675 /nfs/dbraw/zinc/86/56/75/636865675.db2.gz MSMZPNNWJHRMBM-LBPRGKRZSA-N 1 0 233.355 3.003 20 10 BGCDRO CC(C)[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000081047053 636864180 /nfs/dbraw/zinc/86/41/80/636864180.db2.gz MSMZPNNWJHRMBM-GFCCVEGCSA-N 1 0 233.355 3.003 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000081047229 644301840 /nfs/dbraw/zinc/30/18/40/644301840.db2.gz OCEJDYCESLJTQT-RYUDHWBXSA-N 1 0 221.344 3.335 20 10 BGCDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccccc1O ZINC000081047230 644301707 /nfs/dbraw/zinc/30/17/07/644301707.db2.gz OCEJDYCESLJTQT-NEPJUHHUSA-N 1 0 221.344 3.335 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000081047232 631389341 /nfs/dbraw/zinc/38/93/41/631389341.db2.gz OCEJDYCESLJTQT-NWDGAFQWSA-N 1 0 221.344 3.335 20 10 BGCDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccccc1O ZINC000081047234 644301613 /nfs/dbraw/zinc/30/16/13/644301613.db2.gz OCEJDYCESLJTQT-VXGBXAGGSA-N 1 0 221.344 3.335 20 10 BGCDRO COc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1C ZINC000081047897 636865278 /nfs/dbraw/zinc/86/52/78/636865278.db2.gz FEUIBZVCRZUXQI-CYBMUJFWSA-N 1 0 235.371 3.385 20 10 BGCDRO COc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1C ZINC000081047899 636865259 /nfs/dbraw/zinc/86/52/59/636865259.db2.gz FEUIBZVCRZUXQI-ZDUSSCGKSA-N 1 0 235.371 3.385 20 10 BGCDRO Cc1ccsc1C[NH2+]Cc1ccccc1O ZINC000082367487 631405718 /nfs/dbraw/zinc/40/57/18/631405718.db2.gz PPLSBSYWFZNLHQ-UHFFFAOYSA-N 1 0 233.336 3.052 20 10 BGCDRO Cc1ccc(C[NH2+]C2CCCCC2)c(O)c1 ZINC000083349991 178600939 /nfs/dbraw/zinc/60/09/39/178600939.db2.gz ONZUMCWGMUQBBP-UHFFFAOYSA-N 1 0 219.328 3.123 20 10 BGCDRO CCCCCC[NH2+]Cc1cccc(C)c1O ZINC000083351602 644402317 /nfs/dbraw/zinc/40/23/17/644402317.db2.gz GAEVPNRFVNACNJ-UHFFFAOYSA-N 1 0 221.344 3.371 20 10 BGCDRO CCCCCC[NH2+]Cc1cc(F)ccc1O ZINC000083354097 631423563 /nfs/dbraw/zinc/42/35/63/631423563.db2.gz KOCFDJBUDAVWOS-UHFFFAOYSA-N 1 0 225.307 3.201 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2cccs2)c1O ZINC000083360127 179096740 /nfs/dbraw/zinc/09/67/40/179096740.db2.gz OOQWXUXCYGSMIX-UHFFFAOYSA-N 1 0 233.336 3.052 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C)c1O ZINC000083360187 179097400 /nfs/dbraw/zinc/09/74/00/179097400.db2.gz UOBDZQACDWRNEX-SMDDNHRTSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2C)c1O ZINC000083360188 179101602 /nfs/dbraw/zinc/10/16/02/179101602.db2.gz UOBDZQACDWRNEX-FZMZJTMJSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2C)c1O ZINC000083360189 179097652 /nfs/dbraw/zinc/09/76/52/179097652.db2.gz UOBDZQACDWRNEX-BXUZGUMPSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CCCC[C@H]2C)c1O ZINC000083360190 179101427 /nfs/dbraw/zinc/10/14/27/179101427.db2.gz UOBDZQACDWRNEX-RISCZKNCSA-N 1 0 233.355 3.369 20 10 BGCDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000083364994 176080651 /nfs/dbraw/zinc/08/06/51/176080651.db2.gz OQISHZBUUQDSMV-MFKMUULPSA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000083364995 177082509 /nfs/dbraw/zinc/08/25/09/177082509.db2.gz OQISHZBUUQDSMV-GWCFXTLKSA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000083364996 176088663 /nfs/dbraw/zinc/08/86/63/176088663.db2.gz OQISHZBUUQDSMV-ZWNOBZJWSA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000083364997 177088653 /nfs/dbraw/zinc/08/86/53/177088653.db2.gz OQISHZBUUQDSMV-GXFFZTMASA-N 1 0 237.318 3.200 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C1CCCCCC1 ZINC000083365007 183274443 /nfs/dbraw/zinc/27/44/43/183274443.db2.gz PHAUONZNWKHAIU-UHFFFAOYSA-N 1 0 237.318 3.344 20 10 BGCDRO Cc1cccc(C[NH2+]CCc2ccccc2)c1O ZINC000083369602 179091643 /nfs/dbraw/zinc/09/16/43/179091643.db2.gz PACWHGKIGGOXKP-UHFFFAOYSA-N 1 0 241.334 3.033 20 10 BGCDRO Cc1ccc(C[NH2+]CCc2ccccc2)c(O)c1 ZINC000083369603 643439646 /nfs/dbraw/zinc/43/96/46/643439646.db2.gz GKBKBKHNQFMQPI-UHFFFAOYSA-N 1 0 241.334 3.033 20 10 BGCDRO Cc1ccccc1C[NH2+]Cc1cccc(C)c1O ZINC000083369605 179282971 /nfs/dbraw/zinc/28/29/71/179282971.db2.gz RPCWRQAKQYIWBA-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2ccccc2C)c(O)c1 ZINC000083369606 643441077 /nfs/dbraw/zinc/44/10/77/643441077.db2.gz PVRAPTLUFSRWDZ-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1ccc(CC[NH2+]Cc2ccccc2O)cc1 ZINC000083369610 643439544 /nfs/dbraw/zinc/43/95/44/643439544.db2.gz CHXSKVFNSRJITG-UHFFFAOYSA-N 1 0 241.334 3.033 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2ccccc2O)cc1C ZINC000083369612 388049773 /nfs/dbraw/zinc/04/97/73/388049773.db2.gz PGWLBKQETABDKS-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2ccccc2O)c1C ZINC000083369614 179096129 /nfs/dbraw/zinc/09/61/29/179096129.db2.gz CBDVZFYUWWOECY-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2cccc(C)c2O)cc1 ZINC000083369622 384766713 /nfs/dbraw/zinc/76/67/13/384766713.db2.gz SPAHHALUCPNSIF-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2ccc(C)cc2O)cc1 ZINC000083369623 643440317 /nfs/dbraw/zinc/44/03/17/643440317.db2.gz JRNOGQGXIUWWLV-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1c[nH+]ccc1NCc1ccc(N(C)C)cc1 ZINC000083369664 643440005 /nfs/dbraw/zinc/44/00/05/643440005.db2.gz NYNRQNMUTUVSAE-UHFFFAOYSA-N 1 0 241.338 3.068 20 10 BGCDRO Cc1ccccc1C[NH2+]Cc1cc(F)ccc1O ZINC000083374050 179282550 /nfs/dbraw/zinc/28/25/50/179282550.db2.gz NECOCZHSJWFQGG-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2ccccc2F)c1O ZINC000083374053 179096208 /nfs/dbraw/zinc/09/62/08/179096208.db2.gz WIEWDMUXMGWHMQ-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2cccc(F)c2)c1O ZINC000083374056 179093527 /nfs/dbraw/zinc/09/35/27/179093527.db2.gz AORFEZIIZQDZNO-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2ccc(F)cc2)c1O ZINC000083374062 179094090 /nfs/dbraw/zinc/09/40/90/179094090.db2.gz ABLRGYWKLNZRDQ-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO Cc1cc(C[NH2+]Cc2ccccc2O)ccc1F ZINC000083374076 178026371 /nfs/dbraw/zinc/02/63/71/178026371.db2.gz LVXQSRQTWMYRDN-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000083374079 636872811 /nfs/dbraw/zinc/87/28/11/636872811.db2.gz FTTIMVBUTMHLPS-NSHDSACASA-N 1 0 245.297 3.382 20 10 BGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)c1ccccc1 ZINC000083374080 636873201 /nfs/dbraw/zinc/87/32/01/636873201.db2.gz FTTIMVBUTMHLPS-LLVKDONJSA-N 1 0 245.297 3.382 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2cc(F)ccc2O)cc1 ZINC000083374086 178613093 /nfs/dbraw/zinc/61/30/93/178613093.db2.gz IGBWLDMZEAQYBW-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO CCC(CC)(CC)[NH2+]Cc1ccccc1O ZINC000083387872 643444313 /nfs/dbraw/zinc/44/43/13/643444313.db2.gz SFEMZIDTSKBFKY-UHFFFAOYSA-N 1 0 221.344 3.451 20 10 BGCDRO Oc1cccc(Cl)c1C[NH2+]C1CCCC1 ZINC000083551205 183292893 /nfs/dbraw/zinc/29/28/93/183292893.db2.gz XHWQUHLIYDPVLT-UHFFFAOYSA-N 1 0 225.719 3.078 20 10 BGCDRO CC(C)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083551239 491126436 /nfs/dbraw/zinc/12/64/36/491126436.db2.gz QLYVLBVTBILUTC-UHFFFAOYSA-N 1 0 227.735 3.181 20 10 BGCDRO CCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000083551266 491126489 /nfs/dbraw/zinc/12/64/89/491126489.db2.gz DDIKYLJLMGKXLH-UHFFFAOYSA-N 1 0 227.735 3.325 20 10 BGCDRO Cc1ccsc1C[NH2+]Cc1cc(C)ccc1O ZINC000083552221 491126509 /nfs/dbraw/zinc/12/65/09/491126509.db2.gz HBPZGVAOIVXXDX-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CC=CCC1 ZINC000083799552 183292724 /nfs/dbraw/zinc/29/27/24/183292724.db2.gz IKQGFZHHMONQDO-JTQLQIEISA-N 1 0 237.730 3.244 20 10 BGCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CC=CCC1 ZINC000083799556 183293239 /nfs/dbraw/zinc/29/32/39/183293239.db2.gz IKQGFZHHMONQDO-SNVBAGLBSA-N 1 0 237.730 3.244 20 10 BGCDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000083863907 643627179 /nfs/dbraw/zinc/62/71/79/643627179.db2.gz KUWIQGFEAIWXTQ-VXGBXAGGSA-N 1 0 221.344 3.307 20 10 BGCDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000083863908 643626841 /nfs/dbraw/zinc/62/68/41/643626841.db2.gz KUWIQGFEAIWXTQ-NWDGAFQWSA-N 1 0 221.344 3.307 20 10 BGCDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1ccccc1O ZINC000083863909 643627634 /nfs/dbraw/zinc/62/76/34/643627634.db2.gz KUWIQGFEAIWXTQ-NEPJUHHUSA-N 1 0 221.344 3.307 20 10 BGCDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1ccccc1O ZINC000083863910 643627435 /nfs/dbraw/zinc/62/74/35/643627435.db2.gz KUWIQGFEAIWXTQ-RYUDHWBXSA-N 1 0 221.344 3.307 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC2CC2)c1 ZINC000083893374 631430213 /nfs/dbraw/zinc/43/02/13/631430213.db2.gz VCVCQMHKGYSACL-LLVKDONJSA-N 1 0 219.328 3.151 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC2CC2)c1 ZINC000083893375 643629220 /nfs/dbraw/zinc/62/92/20/643629220.db2.gz VCVCQMHKGYSACL-NSHDSACASA-N 1 0 219.328 3.151 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCC2CC2)c(O)c1 ZINC000083893681 643628276 /nfs/dbraw/zinc/62/82/76/643628276.db2.gz BLBYFLFZBINVKN-LLVKDONJSA-N 1 0 219.328 3.151 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCC2CC2)c(O)c1 ZINC000083893682 643628768 /nfs/dbraw/zinc/62/87/68/643628768.db2.gz BLBYFLFZBINVKN-NSHDSACASA-N 1 0 219.328 3.151 20 10 BGCDRO CC[C@H]([NH2+]CCC1CC1)c1ccccc1O ZINC000083893885 643630767 /nfs/dbraw/zinc/63/07/67/643630767.db2.gz YNROKPXMBPILGO-ZDUSSCGKSA-N 1 0 219.328 3.233 20 10 BGCDRO CC[C@@H]([NH2+]CCC1CC1)c1ccccc1O ZINC000083893886 643630624 /nfs/dbraw/zinc/63/06/24/643630624.db2.gz YNROKPXMBPILGO-CYBMUJFWSA-N 1 0 219.328 3.233 20 10 BGCDRO CCC1(C[NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000084056592 643642476 /nfs/dbraw/zinc/64/24/76/643642476.db2.gz NCFRRTASIOQBMY-UHFFFAOYSA-N 1 0 233.355 3.371 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccccc1O ZINC000084066192 384834711 /nfs/dbraw/zinc/83/47/11/384834711.db2.gz GRRPEJSTIAQDAO-RYUDHWBXSA-N 1 0 217.312 3.152 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccccc1O ZINC000084066193 384836008 /nfs/dbraw/zinc/83/60/08/384836008.db2.gz GRRPEJSTIAQDAO-NEPJUHHUSA-N 1 0 217.312 3.152 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1O ZINC000084066194 384835664 /nfs/dbraw/zinc/83/56/64/384835664.db2.gz GRRPEJSTIAQDAO-NWDGAFQWSA-N 1 0 217.312 3.152 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccccc1O ZINC000084066195 384836209 /nfs/dbraw/zinc/83/62/09/384836209.db2.gz GRRPEJSTIAQDAO-VXGBXAGGSA-N 1 0 217.312 3.152 20 10 BGCDRO C[C@@H]1CC([NH2+]Cc2ccccc2O)C[C@@H](C)C1 ZINC000084461569 631442636 /nfs/dbraw/zinc/44/26/36/631442636.db2.gz WQDNIOFSHHLTSY-RYUDHWBXSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@H]1CC([NH2+]Cc2ccccc2O)C[C@H](C)C1 ZINC000084461570 643663361 /nfs/dbraw/zinc/66/33/61/643663361.db2.gz WQDNIOFSHHLTSY-VXGBXAGGSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C[C@@H]1C ZINC000085038990 643680458 /nfs/dbraw/zinc/68/04/58/643680458.db2.gz KRXPZERXFOVYRK-DYEKYZERSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C[C@@H]1C ZINC000085038995 643680750 /nfs/dbraw/zinc/68/07/50/643680750.db2.gz KRXPZERXFOVYRK-MBNYWOFBSA-N 1 0 233.355 3.307 20 10 BGCDRO CC[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000085063371 643682925 /nfs/dbraw/zinc/68/29/25/643682925.db2.gz HXFHILPFIXESMO-OCCSQVGLSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000085063374 643683405 /nfs/dbraw/zinc/68/34/05/643683405.db2.gz HXFHILPFIXESMO-JSGCOSHPSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000085063383 643683291 /nfs/dbraw/zinc/68/32/91/643683291.db2.gz HXFHILPFIXESMO-GXTWGEPZSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000086116159 384987615 /nfs/dbraw/zinc/98/76/15/384987615.db2.gz FIGVELSYWGCENX-HNNXBMFYSA-N 1 0 232.371 3.031 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000086116161 344211722 /nfs/dbraw/zinc/21/17/22/344211722.db2.gz FIGVELSYWGCENX-OAHLLOKOSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@H]([NH2+]C1CCCC1)c1cc(F)ccc1O ZINC000087111313 385075246 /nfs/dbraw/zinc/07/52/46/385075246.db2.gz HJNOSOZRESQSHG-VIFPVBQESA-N 1 0 223.291 3.125 20 10 BGCDRO C[C@@H]([NH2+]C1CCCC1)c1cc(F)ccc1O ZINC000087111314 175860847 /nfs/dbraw/zinc/86/08/47/175860847.db2.gz HJNOSOZRESQSHG-SECBINFHSA-N 1 0 223.291 3.125 20 10 BGCDRO CCC(CC)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111315 168391308 /nfs/dbraw/zinc/39/13/08/168391308.db2.gz AOWPIOGIPCXEHR-VIFPVBQESA-N 1 0 225.307 3.371 20 10 BGCDRO CCC(CC)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111316 168392818 /nfs/dbraw/zinc/39/28/18/168392818.db2.gz AOWPIOGIPCXEHR-SECBINFHSA-N 1 0 225.307 3.371 20 10 BGCDRO CCCCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111321 640846163 /nfs/dbraw/zinc/84/61/63/640846163.db2.gz JCMSXHQHRIPYKC-JTQLQIEISA-N 1 0 225.307 3.372 20 10 BGCDRO CCCCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111322 640846084 /nfs/dbraw/zinc/84/60/84/640846084.db2.gz JCMSXHQHRIPYKC-SNVBAGLBSA-N 1 0 225.307 3.372 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111323 640845734 /nfs/dbraw/zinc/84/57/34/640845734.db2.gz ZGKSQMFQLDUGHH-ZJUUUORDSA-N 1 0 225.307 3.371 20 10 BGCDRO CCC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111324 640845856 /nfs/dbraw/zinc/84/58/56/640845856.db2.gz ZGKSQMFQLDUGHH-UWVGGRQHSA-N 1 0 225.307 3.371 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111325 640846018 /nfs/dbraw/zinc/84/60/18/640846018.db2.gz ZGKSQMFQLDUGHH-NXEZZACHSA-N 1 0 225.307 3.371 20 10 BGCDRO CCC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111326 640846107 /nfs/dbraw/zinc/84/61/07/640846107.db2.gz ZGKSQMFQLDUGHH-VHSXEESVSA-N 1 0 225.307 3.371 20 10 BGCDRO CC(C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111333 640845937 /nfs/dbraw/zinc/84/59/37/640845937.db2.gz UQWXNROOMVEEKD-JTQLQIEISA-N 1 0 225.307 3.228 20 10 BGCDRO CC(C)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111334 640845952 /nfs/dbraw/zinc/84/59/52/640845952.db2.gz UQWXNROOMVEEKD-SNVBAGLBSA-N 1 0 225.307 3.228 20 10 BGCDRO C[C@H]([NH2+]CC(C)(C)C)c1cc(F)ccc1O ZINC000087111387 385075620 /nfs/dbraw/zinc/07/56/20/385075620.db2.gz VCWSZILDOUQKCG-VIFPVBQESA-N 1 0 225.307 3.228 20 10 BGCDRO C[C@@H]([NH2+]CC(C)(C)C)c1cc(F)ccc1O ZINC000087111388 385073653 /nfs/dbraw/zinc/07/36/53/385073653.db2.gz VCWSZILDOUQKCG-SECBINFHSA-N 1 0 225.307 3.228 20 10 BGCDRO Cc1cscc1C[NH2+]Cc1ccccc1O ZINC000087309405 640870657 /nfs/dbraw/zinc/87/06/57/640870657.db2.gz CELSSRWSDLZXNM-UHFFFAOYSA-N 1 0 233.336 3.052 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+]CCC2CC2)cc1 ZINC000088454307 631489055 /nfs/dbraw/zinc/48/90/55/631489055.db2.gz USYOZJSDSPSHFQ-UHFFFAOYSA-N 1 0 246.398 3.423 20 10 BGCDRO C[C@H]([NH2+]CCC1CC1)c1ccc(N(C)C)cc1 ZINC000088454426 641355719 /nfs/dbraw/zinc/35/57/19/641355719.db2.gz CCTSULBTHIVQEW-LBPRGKRZSA-N 1 0 232.371 3.203 20 10 BGCDRO C[C@@H]([NH2+]CCC1CC1)c1ccc(N(C)C)cc1 ZINC000088454427 641354962 /nfs/dbraw/zinc/35/49/62/641354962.db2.gz CCTSULBTHIVQEW-GFCCVEGCSA-N 1 0 232.371 3.203 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455576 641357050 /nfs/dbraw/zinc/35/70/50/641357050.db2.gz YRYAHXPYVRLBFD-UHFFFAOYSA-N 1 0 245.366 3.226 20 10 BGCDRO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1O ZINC000088455995 644521157 /nfs/dbraw/zinc/52/11/57/644521157.db2.gz SWMBMAZRTPIAAE-NSHDSACASA-N 1 0 245.366 3.479 20 10 BGCDRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccccc1O ZINC000088455996 644521792 /nfs/dbraw/zinc/52/17/92/644521792.db2.gz SWMBMAZRTPIAAE-LLVKDONJSA-N 1 0 245.366 3.479 20 10 BGCDRO C[C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000088506372 631492685 /nfs/dbraw/zinc/49/26/85/631492685.db2.gz VAMXDSCLJPDTHW-OCCSQVGLSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000088506375 631493375 /nfs/dbraw/zinc/49/33/75/631493375.db2.gz VAMXDSCLJPDTHW-JSGCOSHPSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000088506376 644522591 /nfs/dbraw/zinc/52/25/91/644522591.db2.gz VAMXDSCLJPDTHW-TZMCWYRMSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000088506378 644522323 /nfs/dbraw/zinc/52/23/23/644522323.db2.gz VAMXDSCLJPDTHW-GXTWGEPZSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000088746862 383921022 /nfs/dbraw/zinc/92/10/22/383921022.db2.gz SIYKYHYFXIYUEA-JQWIXIFHSA-N 1 0 235.302 3.291 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000088746863 383920384 /nfs/dbraw/zinc/92/03/84/383920384.db2.gz SIYKYHYFXIYUEA-PWSUYJOCSA-N 1 0 235.302 3.291 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000088746864 383921498 /nfs/dbraw/zinc/92/14/98/383921498.db2.gz SIYKYHYFXIYUEA-CMPLNLGQSA-N 1 0 235.302 3.291 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1ccc(F)cc1[O-] ZINC000088746865 383920451 /nfs/dbraw/zinc/92/04/51/383920451.db2.gz SIYKYHYFXIYUEA-ZYHUDNBSSA-N 1 0 235.302 3.291 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000088747168 175160883 /nfs/dbraw/zinc/16/08/83/175160883.db2.gz WVLWBARMRWWJGG-RYUDHWBXSA-N 1 0 247.338 3.160 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000088747169 175160418 /nfs/dbraw/zinc/16/04/18/175160418.db2.gz WVLWBARMRWWJGG-NEPJUHHUSA-N 1 0 247.338 3.160 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000088747170 175160724 /nfs/dbraw/zinc/16/07/24/175160724.db2.gz WVLWBARMRWWJGG-NWDGAFQWSA-N 1 0 247.338 3.160 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000088747171 175160552 /nfs/dbraw/zinc/16/05/52/175160552.db2.gz WVLWBARMRWWJGG-VXGBXAGGSA-N 1 0 247.338 3.160 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000088747564 644527754 /nfs/dbraw/zinc/52/77/54/644527754.db2.gz LXPHHJPEJOMQDJ-OLZOCXBDSA-N 1 0 231.339 3.460 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC=CCC2)c1 ZINC000088747565 644528473 /nfs/dbraw/zinc/52/84/73/644528473.db2.gz LXPHHJPEJOMQDJ-STQMWFEESA-N 1 0 231.339 3.460 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000088747566 644528868 /nfs/dbraw/zinc/52/88/68/644528868.db2.gz LXPHHJPEJOMQDJ-CHWSQXEVSA-N 1 0 231.339 3.460 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC=CCC2)c1 ZINC000088747567 644528424 /nfs/dbraw/zinc/52/84/24/644528424.db2.gz LXPHHJPEJOMQDJ-QWHCGFSZSA-N 1 0 231.339 3.460 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1O ZINC000091859743 384117424 /nfs/dbraw/zinc/11/74/24/384117424.db2.gz YTMRTKSAMXIEOO-RYUDHWBXSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1O ZINC000091859748 384116813 /nfs/dbraw/zinc/11/68/13/384116813.db2.gz YTMRTKSAMXIEOO-NEPJUHHUSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000091860298 644641160 /nfs/dbraw/zinc/64/11/60/644641160.db2.gz FTNARUFAHIGHBH-RYUDHWBXSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000091860301 644641822 /nfs/dbraw/zinc/64/18/22/644641822.db2.gz FTNARUFAHIGHBH-NEPJUHHUSA-N 1 0 249.354 3.021 20 10 BGCDRO C[C@H]([N@H+](C)Cc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000091900195 635616172 /nfs/dbraw/zinc/61/61/72/635616172.db2.gz MEKBFCJFMMVOAY-ZDUSSCGKSA-N 1 0 246.398 3.373 20 10 BGCDRO C[C@@H]([N@H+](C)Cc1ccc(N(C)C)cc1)C1(C)CC1 ZINC000091900198 635616259 /nfs/dbraw/zinc/61/62/59/635616259.db2.gz MEKBFCJFMMVOAY-CYBMUJFWSA-N 1 0 246.398 3.373 20 10 BGCDRO COc1cccc(C[N@H+](C)[C@@H](C)C2(C)CC2)c1O ZINC000091900705 175255290 /nfs/dbraw/zinc/25/52/90/175255290.db2.gz WLDVLILKMZEDNS-NSHDSACASA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@H+](C)[C@H](C)C2(C)CC2)c1O ZINC000091900707 175255542 /nfs/dbraw/zinc/25/55/42/175255542.db2.gz WLDVLILKMZEDNS-LLVKDONJSA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000091900836 644643158 /nfs/dbraw/zinc/64/31/58/644643158.db2.gz UCVAMWCAUBYRBJ-LBPRGKRZSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000091900838 635618409 /nfs/dbraw/zinc/61/84/09/635618409.db2.gz UCVAMWCAUBYRBJ-GFCCVEGCSA-N 1 0 233.355 3.321 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](CC)C2)c1O ZINC000091929636 384153873 /nfs/dbraw/zinc/15/38/73/384153873.db2.gz AHWYMMGSQCFYOP-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CC[C@H](CC)C2)c1O ZINC000091929638 384153475 /nfs/dbraw/zinc/15/34/75/384153475.db2.gz AHWYMMGSQCFYOP-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000091929656 644644349 /nfs/dbraw/zinc/64/43/49/644644349.db2.gz RSPRWHZBUBXRBE-SNVBAGLBSA-N 1 0 239.746 3.278 20 10 BGCDRO CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000091929657 644644768 /nfs/dbraw/zinc/64/47/68/644644768.db2.gz RSPRWHZBUBXRBE-JTQLQIEISA-N 1 0 239.746 3.278 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](CC)C2)c1 ZINC000091930176 643634617 /nfs/dbraw/zinc/63/46/17/643634617.db2.gz YIIZHONFPHSCBE-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](CC)C2)c1 ZINC000091930181 631545711 /nfs/dbraw/zinc/54/57/11/631545711.db2.gz YIIZHONFPHSCBE-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(N(C)C)cc1 ZINC000091937279 644644542 /nfs/dbraw/zinc/64/45/42/644644542.db2.gz PIFNZALMPVDNJH-BETUJISGSA-N 1 0 232.371 3.125 20 10 BGCDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(N(C)C)cc1 ZINC000091937280 643644027 /nfs/dbraw/zinc/64/40/27/643644027.db2.gz PIFNZALMPVDNJH-STQMWFEESA-N 1 0 232.371 3.125 20 10 BGCDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(N(C)C)cc1 ZINC000091937281 643644584 /nfs/dbraw/zinc/64/45/84/643644584.db2.gz PIFNZALMPVDNJH-CHWSQXEVSA-N 1 0 232.371 3.125 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2[C@H](C)CC[C@@H]2C)cc1C ZINC000091937548 632661782 /nfs/dbraw/zinc/66/17/82/632661782.db2.gz ALQWLOYLABWOHY-BETUJISGSA-N 1 0 233.355 3.382 20 10 BGCDRO Cc1cc(O)c(C[NH+]2[C@@H](C)CC[C@@H]2C)cc1C ZINC000091937549 632661301 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/nfs/dbraw/zinc/74/84/03/711748403.db2.gz JZAWQOPIDVEBBL-HNNXBMFYSA-N 1 0 246.398 3.421 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1 ZINC000094266021 711748250 /nfs/dbraw/zinc/74/82/50/711748250.db2.gz JZAWQOPIDVEBBL-OAHLLOKOSA-N 1 0 246.398 3.421 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000094266136 711748245 /nfs/dbraw/zinc/74/82/45/711748245.db2.gz OTRUYSJVMPMDPP-CQSZACIVSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCC2(C)C)c1 ZINC000094266137 711748194 /nfs/dbraw/zinc/74/81/94/711748194.db2.gz OTRUYSJVMPMDPP-AWEZNQCLSA-N 1 0 233.355 3.369 20 10 BGCDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000094266152 711748441 /nfs/dbraw/zinc/74/84/41/711748441.db2.gz ZIMNVEKOKMOTFL-HNNXBMFYSA-N 1 0 245.366 3.290 20 10 BGCDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000094266153 711748540 /nfs/dbraw/zinc/74/85/40/711748540.db2.gz ZIMNVEKOKMOTFL-OAHLLOKOSA-N 1 0 245.366 3.290 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCC2(C)C)c1 ZINC000094321547 175159032 /nfs/dbraw/zinc/15/90/32/175159032.db2.gz NRZKCYWFDYTOFX-AWEZNQCLSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCC2(C)C)c1 ZINC000094321548 175158912 /nfs/dbraw/zinc/15/89/12/175158912.db2.gz NRZKCYWFDYTOFX-CQSZACIVSA-N 1 0 249.354 3.069 20 10 BGCDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000094323104 635289981 /nfs/dbraw/zinc/28/99/81/635289981.db2.gz WPWAECHFQBTNTP-AWEZNQCLSA-N 1 0 233.355 3.451 20 10 BGCDRO CC1(C)CCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000094323105 635290720 /nfs/dbraw/zinc/29/07/20/635290720.db2.gz WPWAECHFQBTNTP-CQSZACIVSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@H]([NH2+]Cc1ccccc1)c1cc(F)ccc1O ZINC000094616557 644720538 /nfs/dbraw/zinc/72/05/38/644720538.db2.gz PHARGHMCEDAOMP-NSHDSACASA-N 1 0 245.297 3.382 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccccc1)c1cc(F)ccc1O ZINC000094616558 644721087 /nfs/dbraw/zinc/72/10/87/644721087.db2.gz PHARGHMCEDAOMP-LLVKDONJSA-N 1 0 245.297 3.382 20 10 BGCDRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1cc(F)ccc1O ZINC000094616887 384306855 /nfs/dbraw/zinc/30/68/55/384306855.db2.gz QXWUZIRHFBHENS-VIFPVBQESA-N 1 0 249.329 3.371 20 10 BGCDRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cc(F)ccc1O ZINC000094616888 384306362 /nfs/dbraw/zinc/30/63/62/384306362.db2.gz QXWUZIRHFBHENS-SECBINFHSA-N 1 0 249.329 3.371 20 10 BGCDRO C[C@H]([NH2+]CC1CCCC1)c1cc(F)ccc1O ZINC000094617073 644720556 /nfs/dbraw/zinc/72/05/56/644720556.db2.gz VDUWEZOIMRXDND-JTQLQIEISA-N 1 0 237.318 3.372 20 10 BGCDRO C[C@@H]([NH2+]CC1CCCC1)c1cc(F)ccc1O ZINC000094617074 644720867 /nfs/dbraw/zinc/72/08/67/644720867.db2.gz VDUWEZOIMRXDND-SNVBAGLBSA-N 1 0 237.318 3.372 20 10 BGCDRO C[C@H]([NH2+]CCc1ccco1)c1cc(F)ccc1O ZINC000094617095 644721378 /nfs/dbraw/zinc/72/13/78/644721378.db2.gz CWFFGYUCXMDUPY-JTQLQIEISA-N 1 0 249.285 3.018 20 10 BGCDRO C[C@@H]([NH2+]CCc1ccco1)c1cc(F)ccc1O ZINC000094617096 644721720 /nfs/dbraw/zinc/72/17/20/644721720.db2.gz CWFFGYUCXMDUPY-SNVBAGLBSA-N 1 0 249.285 3.018 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cc(F)ccc2O)o1 ZINC000094618095 635376772 /nfs/dbraw/zinc/37/67/72/635376772.db2.gz HOORQXVZMZGUQU-JTQLQIEISA-N 1 0 249.285 3.284 20 10 BGCDRO Cc1ccc(C[NH2+][C@H](C)c2cc(F)ccc2O)o1 ZINC000094618096 635377170 /nfs/dbraw/zinc/37/71/70/635377170.db2.gz HOORQXVZMZGUQU-SNVBAGLBSA-N 1 0 249.285 3.284 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1cc(F)ccc1O ZINC000094618183 644721600 /nfs/dbraw/zinc/72/16/00/644721600.db2.gz SRKUPDLHCJFCSJ-NRUUGDAUSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1cc(F)ccc1O ZINC000094618184 644721580 /nfs/dbraw/zinc/72/15/80/644721580.db2.gz SRKUPDLHCJFCSJ-KWBADKCTSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1cc(F)ccc1O ZINC000094618185 644720843 /nfs/dbraw/zinc/72/08/43/644720843.db2.gz SRKUPDLHCJFCSJ-GBIKHYSHSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1cc(F)ccc1O ZINC000094618186 635378731 /nfs/dbraw/zinc/37/87/31/635378731.db2.gz SRKUPDLHCJFCSJ-OUJBWJOFSA-N 1 0 237.318 3.371 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618325 644721336 /nfs/dbraw/zinc/72/13/36/644721336.db2.gz XAFWZCOXDCIFPT-QWRGUYRKSA-N 1 0 239.334 3.474 20 10 BGCDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618326 644723295 /nfs/dbraw/zinc/72/32/95/644723295.db2.gz XAFWZCOXDCIFPT-MNOVXSKESA-N 1 0 239.334 3.474 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618327 644723963 /nfs/dbraw/zinc/72/39/63/644723963.db2.gz XAFWZCOXDCIFPT-WDEREUQCSA-N 1 0 239.334 3.474 20 10 BGCDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618328 644722177 /nfs/dbraw/zinc/72/21/77/644722177.db2.gz XAFWZCOXDCIFPT-GHMZBOCLSA-N 1 0 239.334 3.474 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1cc(F)ccc1O ZINC000094618428 384306797 /nfs/dbraw/zinc/30/67/97/384306797.db2.gz GVGKWBKZHOOYOU-JQWIXIFHSA-N 1 0 235.302 3.291 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1cc(F)ccc1O ZINC000094618429 384306926 /nfs/dbraw/zinc/30/69/26/384306926.db2.gz GVGKWBKZHOOYOU-PWSUYJOCSA-N 1 0 235.302 3.291 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1cc(F)ccc1O ZINC000094618430 384307245 /nfs/dbraw/zinc/30/72/45/384307245.db2.gz GVGKWBKZHOOYOU-CMPLNLGQSA-N 1 0 235.302 3.291 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1cc(F)ccc1O ZINC000094618431 384307271 /nfs/dbraw/zinc/30/72/71/384307271.db2.gz GVGKWBKZHOOYOU-ZYHUDNBSSA-N 1 0 235.302 3.291 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccoc1 ZINC000094867682 644730679 /nfs/dbraw/zinc/73/06/79/644730679.db2.gz XHHBUYYZHOHSEH-LBPRGKRZSA-N 1 0 244.338 3.196 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)c1ccoc1 ZINC000094867683 644731000 /nfs/dbraw/zinc/73/10/00/644731000.db2.gz XHHBUYYZHOHSEH-GFCCVEGCSA-N 1 0 244.338 3.196 20 10 BGCDRO Cc1cscc1C[NH2+]Cc1cc(C)ccc1O ZINC000094878140 644733108 /nfs/dbraw/zinc/73/31/08/644733108.db2.gz CEKZSKYAATVXOH-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@@H]2C)cc1C ZINC000095719442 644769768 /nfs/dbraw/zinc/76/97/68/644769768.db2.gz DPUNPKZIVPVDSL-ZDUSSCGKSA-N 1 0 233.355 3.383 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CCCC[C@H]2C)cc1C ZINC000095719443 644769285 /nfs/dbraw/zinc/76/92/85/644769285.db2.gz DPUNPKZIVPVDSL-CYBMUJFWSA-N 1 0 233.355 3.383 20 10 BGCDRO C[N@@H+](Cc1ccccc1O)CC1CCCC1 ZINC000096477937 384462751 /nfs/dbraw/zinc/46/27/51/384462751.db2.gz NJGRBWVHUQGRAV-UHFFFAOYSA-N 1 0 219.328 3.014 20 10 BGCDRO C[C@@H](C[NH2+]Cc1ccccc1O)C(C)(C)C ZINC000096610027 631652958 /nfs/dbraw/zinc/65/29/58/631652958.db2.gz VJXVYXBNWWRWBK-NSHDSACASA-N 1 0 221.344 3.164 20 10 BGCDRO C[C@H](C[NH2+]Cc1ccccc1O)C(C)(C)C ZINC000096610028 644826800 /nfs/dbraw/zinc/82/68/00/644826800.db2.gz VJXVYXBNWWRWBK-LLVKDONJSA-N 1 0 221.344 3.164 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)C(C)(C)C)c1 ZINC000096610124 631652444 /nfs/dbraw/zinc/65/24/44/631652444.db2.gz WDKQNFKNUDXKMV-GFCCVEGCSA-N 1 0 235.371 3.472 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)C(C)(C)C)c1 ZINC000096610125 644826819 /nfs/dbraw/zinc/82/68/19/644826819.db2.gz WDKQNFKNUDXKMV-LBPRGKRZSA-N 1 0 235.371 3.472 20 10 BGCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)C ZINC000096610382 644826985 /nfs/dbraw/zinc/82/69/85/644826985.db2.gz WOUPDWRSURZLNY-LBPRGKRZSA-N 1 0 247.382 3.393 20 10 BGCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)C ZINC000096610383 644826358 /nfs/dbraw/zinc/82/63/58/644826358.db2.gz WOUPDWRSURZLNY-GFCCVEGCSA-N 1 0 247.382 3.393 20 10 BGCDRO CCCCC[N@H+](C)Cc1ccccc1O ZINC000096687098 385989457 /nfs/dbraw/zinc/98/94/57/385989457.db2.gz LSYPRRFNTJUUFO-UHFFFAOYSA-N 1 0 207.317 3.014 20 10 BGCDRO CC(C)CCCC[NH2+]Cc1ccccc1O ZINC000096867528 644844054 /nfs/dbraw/zinc/84/40/54/644844054.db2.gz FYEZPCLQEGYPQW-UHFFFAOYSA-N 1 0 221.344 3.308 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCCC(F)(F)F)c1 ZINC000097988993 384582795 /nfs/dbraw/zinc/58/27/95/384582795.db2.gz TVZZOKQJCCVNTD-UHFFFAOYSA-N 1 0 247.260 3.133 20 10 BGCDRO CC[NH+](CC)Cc1cc(Cl)c(C)cc1O ZINC000100692552 636530502 /nfs/dbraw/zinc/53/05/02/636530502.db2.gz KWCDDTKAWPPKER-UHFFFAOYSA-N 1 0 227.735 3.196 20 10 BGCDRO Cc1cc(O)c(C[NH+]2CCCCC2)cc1Cl ZINC000100692558 636530472 /nfs/dbraw/zinc/53/04/72/636530472.db2.gz FYCNCDIVDYOEQF-UHFFFAOYSA-N 1 0 239.746 3.340 20 10 BGCDRO CCCOc1ccc(C[NH2+][C@@H](C)CC)c(O)c1 ZINC000101588765 169318846 /nfs/dbraw/zinc/31/88/46/169318846.db2.gz BNGZGUWQYONMGF-NSHDSACASA-N 1 0 237.343 3.069 20 10 BGCDRO CCCOc1ccc(C[NH2+][C@H](C)CC)c(O)c1 ZINC000101588767 169318676 /nfs/dbraw/zinc/31/86/76/169318676.db2.gz BNGZGUWQYONMGF-LLVKDONJSA-N 1 0 237.343 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+]CC2(C)CCCC2)c1 ZINC000104436441 175158558 /nfs/dbraw/zinc/15/85/58/175158558.db2.gz LNLNNIXTVFAKPW-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cscn2)c1 ZINC000104436521 587960884 /nfs/dbraw/zinc/96/08/84/587960884.db2.gz HHQBQNXNEOOODZ-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cscn2)c1 ZINC000104436525 587961144 /nfs/dbraw/zinc/96/11/44/587961144.db2.gz HHQBQNXNEOOODZ-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO CC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000104438729 168044220 /nfs/dbraw/zinc/04/42/20/168044220.db2.gz HRKAUJKBCWSFTH-UHFFFAOYSA-N 1 0 245.366 3.291 20 10 BGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)CC1 ZINC000106200654 177193405 /nfs/dbraw/zinc/19/34/05/177193405.db2.gz DALMSJHTGXOUNX-AULYBMBSSA-N 1 0 219.328 3.061 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CC[C@@H](C)CC2)c1O ZINC000106214243 588259986 /nfs/dbraw/zinc/25/99/86/588259986.db2.gz ZWAUZKKMYNLIEL-YEORSEQZSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C)CC2)c1 ZINC000106214247 588260057 /nfs/dbraw/zinc/26/00/57/588260057.db2.gz NAOFHLRPKMSAIX-YEORSEQZSA-N 1 0 233.355 3.369 20 10 BGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000106219999 177193008 /nfs/dbraw/zinc/19/30/08/177193008.db2.gz FHOKLGXNMLFIEI-MJHDQNEOSA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000106231957 177193387 /nfs/dbraw/zinc/19/33/87/177193387.db2.gz QFYMQICPXJZOOM-NNUKFRKNSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000106234050 177193210 /nfs/dbraw/zinc/19/32/10/177193210.db2.gz CIHSQLGTIINGCN-CTYIDZIISA-N 1 0 246.398 3.421 20 10 BGCDRO COc1cccc(C[NH2+][C@H]2CC[C@@H](C)CC2)c1O ZINC000106243418 175267105 /nfs/dbraw/zinc/26/71/05/175267105.db2.gz VVTFTFKXMXWIKU-AULYBMBSSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C)CC2)c1 ZINC000106243437 175158538 /nfs/dbraw/zinc/15/85/38/175158538.db2.gz IEDYFKXVBIBDHW-AULYBMBSSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cscn2)c(O)c1 ZINC000108941475 588505725 /nfs/dbraw/zinc/50/57/25/588505725.db2.gz SYGOJOPTTHPHAQ-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]Cc2cscn2)c(O)c1 ZINC000108941477 588505678 /nfs/dbraw/zinc/50/56/78/588505678.db2.gz SYGOJOPTTHPHAQ-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO CC[C@H]([NH2+]Cc1cscn1)c1ccccc1O ZINC000108941525 588505791 /nfs/dbraw/zinc/50/57/91/588505791.db2.gz QVEOHSFKUNMCHC-LBPRGKRZSA-N 1 0 248.351 3.090 20 10 BGCDRO CC[C@@H]([NH2+]Cc1cscn1)c1ccccc1O ZINC000108941527 588505771 /nfs/dbraw/zinc/50/57/71/588505771.db2.gz QVEOHSFKUNMCHC-GFCCVEGCSA-N 1 0 248.351 3.090 20 10 BGCDRO CCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000109761190 169179876 /nfs/dbraw/zinc/17/98/76/169179876.db2.gz ITHFKYRHOFQPKH-UHFFFAOYSA-N 1 0 245.322 3.397 20 10 BGCDRO C[N@H+](CCc1ccccc1)Cc1ccccc1O ZINC000109770154 385190945 /nfs/dbraw/zinc/19/09/45/385190945.db2.gz DZUXKRIRQLUPHH-UHFFFAOYSA-N 1 0 241.334 3.067 20 10 BGCDRO Cc1ccccc1C[N@@H+](C)Cc1ccccc1O ZINC000109772232 179268968 /nfs/dbraw/zinc/26/89/68/179268968.db2.gz SSWYWQFJSGIQGP-UHFFFAOYSA-N 1 0 241.334 3.333 20 10 BGCDRO CC[N@H+](Cc1ccccc1O)C1CCCC1 ZINC000109797479 344534771 /nfs/dbraw/zinc/53/47/71/344534771.db2.gz LVPWHQKLXIJZPX-UHFFFAOYSA-N 1 0 219.328 3.157 20 10 BGCDRO CC1CCC(C)([NH2+]Cc2ccccc2O)CC1 ZINC000109844996 588597790 /nfs/dbraw/zinc/59/77/90/588597790.db2.gz PPQXVTGBJWZROF-UHFFFAOYSA-N 1 0 233.355 3.451 20 10 BGCDRO CCCC(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000111213745 588730851 /nfs/dbraw/zinc/73/08/51/588730851.db2.gz PKORNXDGCCWZQY-UHFFFAOYSA-N 1 0 233.355 3.290 20 10 BGCDRO CCCC(C)(C)[NH2+]Cc1ccccc1O ZINC000111387261 384617339 /nfs/dbraw/zinc/61/73/39/384617339.db2.gz DUBKLPWVWQIURR-UHFFFAOYSA-N 1 0 207.317 3.061 20 10 BGCDRO CCCC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000111387303 588747474 /nfs/dbraw/zinc/74/74/74/588747474.db2.gz OXDQTKMLJLWDKV-UHFFFAOYSA-N 1 0 234.387 3.421 20 10 BGCDRO CCCC(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000111387353 168579150 /nfs/dbraw/zinc/57/91/50/168579150.db2.gz MSBSSTISXAMALL-UHFFFAOYSA-N 1 0 237.343 3.069 20 10 BGCDRO CN(C)c1ccc(C[NH2+]CC2(C)CCCC2)cc1 ZINC000111618329 588764844 /nfs/dbraw/zinc/76/48/44/588764844.db2.gz WPDHMTICDMEPPM-UHFFFAOYSA-N 1 0 246.398 3.423 20 10 BGCDRO C[C@H]([NH2+]CCOC1CCCC1)c1ccccc1O ZINC000111634297 588764899 /nfs/dbraw/zinc/76/48/99/588764899.db2.gz MIFLYWJZUHOWKH-LBPRGKRZSA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@@H]([NH2+]CCOC1CCCC1)c1ccccc1O ZINC000111634299 588764754 /nfs/dbraw/zinc/76/47/54/588764754.db2.gz MIFLYWJZUHOWKH-GFCCVEGCSA-N 1 0 249.354 3.002 20 10 BGCDRO Cc1ccccc1CC[NH2+]Cc1ccccc1O ZINC000112016849 179265037 /nfs/dbraw/zinc/26/50/37/179265037.db2.gz XNKXNFBTFMYEMZ-UHFFFAOYSA-N 1 0 241.334 3.033 20 10 BGCDRO CC[N@@H+](Cc1cc2c(cc1O)CCC2)CC1CC1 ZINC000112200148 588785123 /nfs/dbraw/zinc/78/51/23/588785123.db2.gz QPLQHNHRMXRTQE-UHFFFAOYSA-N 1 0 245.366 3.113 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000112375869 588796029 /nfs/dbraw/zinc/79/60/29/588796029.db2.gz AZEUHXTUXYFACO-LBPRGKRZSA-N 1 0 234.387 3.277 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(C)(C)C ZINC000112375872 634077008 /nfs/dbraw/zinc/07/70/08/634077008.db2.gz AZEUHXTUXYFACO-GFCCVEGCSA-N 1 0 234.387 3.277 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)C ZINC000112375918 588796084 /nfs/dbraw/zinc/79/60/84/588796084.db2.gz YXYSCQRQXIGWSJ-LLVKDONJSA-N 1 0 233.355 3.146 20 10 BGCDRO C[N@H+](Cc1ccc(F)cc1)Cc1ccccc1O ZINC000112599440 588804594 /nfs/dbraw/zinc/80/45/94/588804594.db2.gz DIPOOKWKHUIPEA-UHFFFAOYSA-N 1 0 245.297 3.163 20 10 BGCDRO C[N@H+](CCC(C)(C)C)Cc1ccccc1O ZINC000112698079 588812818 /nfs/dbraw/zinc/81/28/18/588812818.db2.gz SXYURCUCBVVRAH-UHFFFAOYSA-N 1 0 221.344 3.260 20 10 BGCDRO CCC(C)(C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000113331771 588837278 /nfs/dbraw/zinc/83/72/78/588837278.db2.gz WGWVZPBRKKHDBW-UHFFFAOYSA-N 1 0 238.350 3.170 20 10 BGCDRO CCC(CC)C[NH2+]Cc1cc(C)ccc1O ZINC000113339237 588837187 /nfs/dbraw/zinc/83/71/87/588837187.db2.gz RYKFCEYVRDRQOG-UHFFFAOYSA-N 1 0 221.344 3.226 20 10 BGCDRO CCCC(C)(C)[NH2+]Cc1cc(C)ccc1O ZINC000113340836 588837167 /nfs/dbraw/zinc/83/71/67/588837167.db2.gz AJTBTJHBTZHVRV-UHFFFAOYSA-N 1 0 221.344 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C(C)(C)C)c1 ZINC000113342174 588837287 /nfs/dbraw/zinc/83/72/87/588837287.db2.gz QJJHPNKWKAVVHR-LLVKDONJSA-N 1 0 221.344 3.225 20 10 BGCDRO Cc1cc(C[NH2+]Cc2cc(C)ccc2O)c(C)o1 ZINC000114504718 588874775 /nfs/dbraw/zinc/87/47/75/588874775.db2.gz ZIIYJVLIGRQMLU-UHFFFAOYSA-N 1 0 245.322 3.200 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCCC1 ZINC000115629325 645668758 /nfs/dbraw/zinc/66/87/58/645668758.db2.gz WTLNTYNSWAGSQH-UHFFFAOYSA-N 1 0 232.371 3.093 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)C ZINC000115629558 645669190 /nfs/dbraw/zinc/66/91/90/645669190.db2.gz BVBIHIFJZMCGJI-UHFFFAOYSA-N 1 0 234.387 3.197 20 10 BGCDRO CCC(C)(CC)[NH2+]Cc1cc(C)ccc1O ZINC000116358955 588976815 /nfs/dbraw/zinc/97/68/15/588976815.db2.gz WCXTYMCPMALDNI-UHFFFAOYSA-N 1 0 221.344 3.369 20 10 BGCDRO CCC(C)(CC)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000116359042 588976842 /nfs/dbraw/zinc/97/68/42/588976842.db2.gz XFWDGKPGKKKCEZ-UHFFFAOYSA-N 1 0 233.355 3.290 20 10 BGCDRO CCC(C)(CC)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000116359064 588976695 /nfs/dbraw/zinc/97/66/95/588976695.db2.gz POECYYULKFVPNK-UHFFFAOYSA-N 1 0 234.387 3.421 20 10 BGCDRO CCC(C)(CC)[NH2+]Cc1cccc(OC)c1O ZINC000116359166 168311741 /nfs/dbraw/zinc/31/17/41/168311741.db2.gz NCUCYNVGYNBNIT-UHFFFAOYSA-N 1 0 237.343 3.069 20 10 BGCDRO CCC(C)(CC)[NH2+]Cc1ccccc1O ZINC000116359336 168311644 /nfs/dbraw/zinc/31/16/44/168311644.db2.gz VWUXIEZKOYGWTR-UHFFFAOYSA-N 1 0 207.317 3.061 20 10 BGCDRO CC[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000119523765 589301438 /nfs/dbraw/zinc/30/14/38/589301438.db2.gz LODAIWYUPNZBEP-CYBMUJFWSA-N 1 0 233.355 3.241 20 10 BGCDRO CC[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2O)C1 ZINC000119523873 589301066 /nfs/dbraw/zinc/30/10/66/589301066.db2.gz LODAIWYUPNZBEP-ZDUSSCGKSA-N 1 0 233.355 3.241 20 10 BGCDRO C[N@H+](CCC1CCCC1)Cc1ccccc1O ZINC000119527804 589301541 /nfs/dbraw/zinc/30/15/41/589301541.db2.gz ARHRKNBEVANJQZ-UHFFFAOYSA-N 1 0 233.355 3.404 20 10 BGCDRO CC[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000119590246 589310215 /nfs/dbraw/zinc/31/02/15/589310215.db2.gz JMPQDPVHHKYERR-GFCCVEGCSA-N 1 0 245.366 3.113 20 10 BGCDRO CC[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000119590407 589310528 /nfs/dbraw/zinc/31/05/28/589310528.db2.gz JMPQDPVHHKYERR-LBPRGKRZSA-N 1 0 245.366 3.113 20 10 BGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCC1 ZINC000119625921 589314833 /nfs/dbraw/zinc/31/48/33/589314833.db2.gz GSZGITWAXCKJOE-VIFPVBQESA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CCC1 ZINC000119626053 589314867 /nfs/dbraw/zinc/31/48/67/589314867.db2.gz GSZGITWAXCKJOE-SECBINFHSA-N 1 0 239.746 3.324 20 10 BGCDRO CCOc1cccc(C[NH2+][C@@H](C)C2CCC2)c1O ZINC000119630941 589315373 /nfs/dbraw/zinc/31/53/73/589315373.db2.gz YLTCPPKEZLYMNY-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@H](C)C2CCC2)c1O ZINC000119631039 589315336 /nfs/dbraw/zinc/31/53/36/589315336.db2.gz YLTCPPKEZLYMNY-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO C1=C(CC[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000120141597 589383550 /nfs/dbraw/zinc/38/35/50/589383550.db2.gz IRDVCVHVAMZINM-UHFFFAOYSA-N 1 0 243.350 3.212 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCC2=CCCC2)c1 ZINC000120165166 387562080 /nfs/dbraw/zinc/56/20/80/387562080.db2.gz CSMYPNGUVFOYHO-UHFFFAOYSA-N 1 0 231.339 3.291 20 10 BGCDRO CN(C)c1ccc(C[NH2+]CCC2=CCCC2)cc1 ZINC000120173411 589389472 /nfs/dbraw/zinc/38/94/72/589389472.db2.gz PBKMTSFJLQUDPP-UHFFFAOYSA-N 1 0 244.382 3.343 20 10 BGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccsc2)c1 ZINC000120483867 589421569 /nfs/dbraw/zinc/42/15/69/589421569.db2.gz ISTBEHHEEGAVLM-UHFFFAOYSA-N 1 0 247.363 3.394 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)C2CC2)cc1C ZINC000120852407 178195172 /nfs/dbraw/zinc/19/51/72/178195172.db2.gz IYRGXJBQAJZSBS-LBPRGKRZSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)C2CC2)cc1C ZINC000120852581 178194639 /nfs/dbraw/zinc/19/46/39/178194639.db2.gz IYRGXJBQAJZSBS-GFCCVEGCSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C(C)C)C2CC2)c1 ZINC000121351276 384412408 /nfs/dbraw/zinc/41/24/08/384412408.db2.gz RXMOFANFYRSFQT-UHFFFAOYSA-N 1 0 219.328 3.073 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CCC3(CCC3)C2)cc1C ZINC000121860280 589535958 /nfs/dbraw/zinc/53/59/58/589535958.db2.gz KWVQISJRHBHLJU-UHFFFAOYSA-N 1 0 245.366 3.385 20 10 BGCDRO C[C@H]([NH2+]C1CC=CC1)c1ccc(N(C)C)cc1 ZINC000122020043 589549838 /nfs/dbraw/zinc/54/98/38/589549838.db2.gz RCDKHZVYRUQSGO-LBPRGKRZSA-N 1 0 230.355 3.122 20 10 BGCDRO C[C@@H]([NH2+]C1CC=CC1)c1ccc(N(C)C)cc1 ZINC000122020250 589549850 /nfs/dbraw/zinc/54/98/50/589549850.db2.gz RCDKHZVYRUQSGO-GFCCVEGCSA-N 1 0 230.355 3.122 20 10 BGCDRO CC[C@@H](C)C[NH2+]CCCSc1nccs1 ZINC000122315590 589578261 /nfs/dbraw/zinc/57/82/61/589578261.db2.gz PQEHJCGKWJICSO-SNVBAGLBSA-N 1 0 244.429 3.261 20 10 BGCDRO CC[C@H](C)C[NH2+]CCCSc1nccs1 ZINC000122315770 589578361 /nfs/dbraw/zinc/57/83/61/589578361.db2.gz PQEHJCGKWJICSO-JTQLQIEISA-N 1 0 244.429 3.261 20 10 BGCDRO Oc1cccc(Cl)c1C[NH+]1CCCCC1 ZINC000122337742 589581987 /nfs/dbraw/zinc/58/19/87/589581987.db2.gz YLZLEVWLKYRMFO-UHFFFAOYSA-N 1 0 225.719 3.032 20 10 BGCDRO CC1(C)CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000122403910 187295530 /nfs/dbraw/zinc/29/55/30/187295530.db2.gz QIQSWZBOFGEWMA-LBPRGKRZSA-N 1 0 219.328 3.061 20 10 BGCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000122404124 344957488 /nfs/dbraw/zinc/95/74/88/344957488.db2.gz QIQSWZBOFGEWMA-GFCCVEGCSA-N 1 0 219.328 3.061 20 10 BGCDRO Oc1ccccc1C[NH2+]CC1CCCCCC1 ZINC000122429839 589589561 /nfs/dbraw/zinc/58/95/61/589589561.db2.gz FKJRHZFIYKSNPR-UHFFFAOYSA-N 1 0 233.355 3.452 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C1(C)CC1 ZINC000122780314 589631396 /nfs/dbraw/zinc/63/13/96/589631396.db2.gz PWBDCMDACGUGEI-ZDUSSCGKSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C1(C)CC1 ZINC000122780525 589631521 /nfs/dbraw/zinc/63/15/21/589631521.db2.gz PWBDCMDACGUGEI-CYBMUJFWSA-N 1 0 246.398 3.339 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000122795434 589631814 /nfs/dbraw/zinc/63/18/14/589631814.db2.gz PISNCAUTCQDMBV-INIZCTEOSA-N 1 0 246.398 3.339 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000122795601 589632058 /nfs/dbraw/zinc/63/20/58/589632058.db2.gz PISNCAUTCQDMBV-MRXNPFEDSA-N 1 0 246.398 3.339 20 10 BGCDRO CCCOc1ccc(C[N@H+](C)CC2CC2)c(O)c1 ZINC000122934896 169318237 /nfs/dbraw/zinc/31/82/37/169318237.db2.gz RXMCVAJADHKSFP-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO COc1ccc(C[NH2+]CCC2CCC2)cc1C ZINC000122985694 589647747 /nfs/dbraw/zinc/64/77/47/589647747.db2.gz UWYRZHHRNAQRTH-UHFFFAOYSA-N 1 0 233.355 3.283 20 10 BGCDRO CCOc1cccc(C[NH2+]CCC2CCC2)c1O ZINC000123015418 589651654 /nfs/dbraw/zinc/65/16/54/589651654.db2.gz RCDIAKLPJGEPMZ-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO CN(C)c1ccc(C[NH2+]CCC2CCC2)cc1 ZINC000123016287 589652247 /nfs/dbraw/zinc/65/22/47/589652247.db2.gz QTFRUHGDQMGMLE-UHFFFAOYSA-N 1 0 232.371 3.032 20 10 BGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000123210474 589678828 /nfs/dbraw/zinc/67/88/28/589678828.db2.gz AZMSXPUHNJXDMJ-ZBFHGGJFSA-N 1 0 246.398 3.421 20 10 BGCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000123210684 589678699 /nfs/dbraw/zinc/67/86/99/589678699.db2.gz AZMSXPUHNJXDMJ-HOCLYGCPSA-N 1 0 246.398 3.421 20 10 BGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000123210916 589678750 /nfs/dbraw/zinc/67/87/50/589678750.db2.gz AZMSXPUHNJXDMJ-GDBMZVCRSA-N 1 0 246.398 3.421 20 10 BGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000123211109 589678971 /nfs/dbraw/zinc/67/89/71/589678971.db2.gz AZMSXPUHNJXDMJ-GOEBONIOSA-N 1 0 246.398 3.421 20 10 BGCDRO CC[C@H]([NH2+]C1CC(C)C1)c1ccccc1O ZINC000123372788 589694708 /nfs/dbraw/zinc/69/47/08/589694708.db2.gz IAASDANMJFDBQU-XIVSLSHWSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]([NH2+]C1CC(C)C1)c1ccccc1O ZINC000123372994 589694759 /nfs/dbraw/zinc/69/47/59/589694759.db2.gz IAASDANMJFDBQU-GCZXYKMCSA-N 1 0 219.328 3.231 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCC(C)(C)C)c1 ZINC000123533447 589748658 /nfs/dbraw/zinc/74/86/58/589748658.db2.gz OMYHQHYIUUBKSD-UHFFFAOYSA-N 1 0 221.344 3.226 20 10 BGCDRO C[C@@H](C[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000123538300 589748685 /nfs/dbraw/zinc/74/86/85/589748685.db2.gz VWBLEJAYEDENPE-VIFPVBQESA-N 1 0 239.746 3.181 20 10 BGCDRO C[C@H](C[NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000123538523 589748021 /nfs/dbraw/zinc/74/80/21/589748021.db2.gz VWBLEJAYEDENPE-SECBINFHSA-N 1 0 239.746 3.181 20 10 BGCDRO CCN(CC)c1ccc(C[NH+]2CCCC2)cc1 ZINC000123908851 589851594 /nfs/dbraw/zinc/85/15/94/589851594.db2.gz KVBBLGDYRGJHGI-UHFFFAOYSA-N 1 0 232.371 3.129 20 10 BGCDRO c1cc(N2CCCCC2)ccc1C[NH+]1CCCC1 ZINC000123920301 589854467 /nfs/dbraw/zinc/85/44/67/589854467.db2.gz VIZMBOCLHBXTNR-UHFFFAOYSA-N 1 0 244.382 3.273 20 10 BGCDRO CC(C)(C)C[NH2+]CCCSc1nccs1 ZINC000124238099 589966430 /nfs/dbraw/zinc/96/64/30/589966430.db2.gz ZCNLCMHFZPUYEM-UHFFFAOYSA-N 1 0 244.429 3.261 20 10 BGCDRO CCCC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000124414397 644045268 /nfs/dbraw/zinc/04/52/68/644045268.db2.gz BBLNRTYPGQVJGL-UHFFFAOYSA-N 1 0 233.355 3.113 20 10 BGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000124502694 590034214 /nfs/dbraw/zinc/03/42/14/590034214.db2.gz IBXVXYGXVTYEGI-CQSZACIVSA-N 1 0 233.355 3.465 20 10 BGCDRO CC[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1O ZINC000124502845 590034648 /nfs/dbraw/zinc/03/46/48/590034648.db2.gz IBXVXYGXVTYEGI-AWEZNQCLSA-N 1 0 233.355 3.465 20 10 BGCDRO Cc1cccc(C[N@@H+](C)C2CCCCC2)c1O ZINC000124503634 590034697 /nfs/dbraw/zinc/03/46/97/590034697.db2.gz CEVGSRXBXUHRQA-UHFFFAOYSA-N 1 0 233.355 3.465 20 10 BGCDRO Cc1cccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c1O ZINC000124507409 590035847 /nfs/dbraw/zinc/03/58/47/590035847.db2.gz HVRMBIMKGCZPKA-TXEJJXNPSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1cccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1O ZINC000124507607 590035758 /nfs/dbraw/zinc/03/57/58/590035758.db2.gz HVRMBIMKGCZPKA-RYUDHWBXSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1cccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1O ZINC000124507838 590035555 /nfs/dbraw/zinc/03/55/55/590035555.db2.gz HVRMBIMKGCZPKA-VXGBXAGGSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1cccc(C[NH+]2CCCCCCC2)c1O ZINC000124509319 590036644 /nfs/dbraw/zinc/03/66/44/590036644.db2.gz DYBYVDJJKKKHIN-UHFFFAOYSA-N 1 0 233.355 3.467 20 10 BGCDRO Cc1cccc(C[N@H+]2CCC[C@@H]2C(C)C)c1O ZINC000124534596 590048077 /nfs/dbraw/zinc/04/80/77/590048077.db2.gz ZDEDOUSQQIQJGI-CQSZACIVSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1cccc(C[N@H+]2CCC[C@H]2C(C)C)c1O ZINC000124534852 590047759 /nfs/dbraw/zinc/04/77/59/590047759.db2.gz ZDEDOUSQQIQJGI-AWEZNQCLSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[N@H+](Cc1cccc(C)c1O)C1CCCC1 ZINC000124535587 590047647 /nfs/dbraw/zinc/04/76/47/590047647.db2.gz RNNMAVLNCXCBHO-UHFFFAOYSA-N 1 0 233.355 3.465 20 10 BGCDRO CC[C@@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000124550273 590050083 /nfs/dbraw/zinc/05/00/83/590050083.db2.gz WVHISBZBGXIYKG-CYBMUJFWSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[C@H]1CCC[N@H+](Cc2cccc(C)c2O)C1 ZINC000124550470 590049794 /nfs/dbraw/zinc/04/97/94/590049794.db2.gz WVHISBZBGXIYKG-ZDUSSCGKSA-N 1 0 233.355 3.323 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCCC(C)(C)C2)c1O ZINC000124555583 590049720 /nfs/dbraw/zinc/04/97/20/590049720.db2.gz MOOGNAFKYRAIDZ-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO CCC1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000124560014 590050763 /nfs/dbraw/zinc/05/07/63/590050763.db2.gz QTKZBCHSNZTOAR-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1O ZINC000124572693 590058901 /nfs/dbraw/zinc/05/89/01/590058901.db2.gz UGBLVNFEKFAOOB-HIFRSBDPSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1O ZINC000124572896 590059474 /nfs/dbraw/zinc/05/94/74/590059474.db2.gz UGBLVNFEKFAOOB-ZFWWWQNUSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1cccc(C[N@H+]2CCC[C@H](C)CC2)c1O ZINC000124575662 590059251 /nfs/dbraw/zinc/05/92/51/590059251.db2.gz FHTSHIRIIIMHGQ-LBPRGKRZSA-N 1 0 233.355 3.323 20 10 BGCDRO Cc1cccc(C[N@H+]2CCC[C@@H](C)CC2)c1O ZINC000124575911 590059065 /nfs/dbraw/zinc/05/90/65/590059065.db2.gz FHTSHIRIIIMHGQ-GFCCVEGCSA-N 1 0 233.355 3.323 20 10 BGCDRO Cc1cccc(C[N@H+](C)CC2CCCC2)c1O ZINC000124578230 590059155 /nfs/dbraw/zinc/05/91/55/590059155.db2.gz KXCPZSNSPZLFAE-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO Cc1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1O ZINC000124580004 590059902 /nfs/dbraw/zinc/05/99/02/590059902.db2.gz WDJLSOMCLQRSIW-ZFWWWQNUSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1O ZINC000124580822 590060195 /nfs/dbraw/zinc/06/01/95/590060195.db2.gz QIMHFVSEVTYLRX-AAEUAGOBSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1O ZINC000124581060 590060013 /nfs/dbraw/zinc/06/00/13/590060013.db2.gz QIMHFVSEVTYLRX-YPMHNXCESA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1cccc(C[NH+]2CCC(C)(C)CC2)c1O ZINC000124586965 590059862 /nfs/dbraw/zinc/05/98/62/590059862.db2.gz JSSKHVOXUGNKQS-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO Cc1cccc(C[NH+]2Cc3ccccc3C2)c1O ZINC000124593730 179085061 /nfs/dbraw/zinc/08/50/61/179085061.db2.gz HAAKNZZXQBRYIK-UHFFFAOYSA-N 1 0 239.318 3.216 20 10 BGCDRO Cc1cccc(C[N@H+]2CCCCC[C@@H]2C)c1O ZINC000124600478 590061308 /nfs/dbraw/zinc/06/13/08/590061308.db2.gz NVECOQYGCZGPTC-ZDUSSCGKSA-N 1 0 233.355 3.465 20 10 BGCDRO Cc1cccc(C[N@H+]2CCCCC[C@H]2C)c1O ZINC000124600732 590066611 /nfs/dbraw/zinc/06/66/11/590066611.db2.gz NVECOQYGCZGPTC-CYBMUJFWSA-N 1 0 233.355 3.465 20 10 BGCDRO Cc1cccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c1O ZINC000124606889 590067385 /nfs/dbraw/zinc/06/73/85/590067385.db2.gz FYQNMAZMUAGYGD-YPMHNXCESA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1cccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c1O ZINC000124607084 590067601 /nfs/dbraw/zinc/06/76/01/590067601.db2.gz FYQNMAZMUAGYGD-AAEUAGOBSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1cccc(C[NH2+]CCc2cccs2)c1O ZINC000124662920 179092197 /nfs/dbraw/zinc/09/21/97/179092197.db2.gz YMMUZSNZSUPBPH-UHFFFAOYSA-N 1 0 247.363 3.094 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000124681629 179094338 /nfs/dbraw/zinc/09/43/38/179094338.db2.gz BBJPLTNBWMTMCB-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1cccc(C[NH2+]CCC2CCCC2)c1O ZINC000124682570 590074315 /nfs/dbraw/zinc/07/43/15/590074315.db2.gz WDGGUUHNRUNMFS-UHFFFAOYSA-N 1 0 233.355 3.371 20 10 BGCDRO Cc1cccc(C[NH2+]CCc2ccsc2)c1O ZINC000124685082 179092651 /nfs/dbraw/zinc/09/26/51/179092651.db2.gz IIQSYTLJYPIKNJ-UHFFFAOYSA-N 1 0 247.363 3.094 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H](C)C2)c1O ZINC000124687196 590074860 /nfs/dbraw/zinc/07/48/60/590074860.db2.gz FODGWSZONBOJLL-SMDDNHRTSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CCC[C@H](C)C2)c1O ZINC000124687412 590075008 /nfs/dbraw/zinc/07/50/08/590075008.db2.gz FODGWSZONBOJLL-FZMZJTMJSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)c1O ZINC000124687574 590074658 /nfs/dbraw/zinc/07/46/58/590074658.db2.gz FODGWSZONBOJLL-BXUZGUMPSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H](C)C2)c1O ZINC000124687777 590074413 /nfs/dbraw/zinc/07/44/13/590074413.db2.gz FODGWSZONBOJLL-RISCZKNCSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccco2)c1O ZINC000124690627 590075753 /nfs/dbraw/zinc/07/57/53/590075753.db2.gz BUWILGUGUKPYLP-LBPRGKRZSA-N 1 0 245.322 3.014 20 10 BGCDRO Cc1cccc(C[NH2+][C@H](C)Cc2ccco2)c1O ZINC000124690837 590075721 /nfs/dbraw/zinc/07/57/21/590075721.db2.gz BUWILGUGUKPYLP-GFCCVEGCSA-N 1 0 245.322 3.014 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2cccc(C)c2O)s1 ZINC000124711383 384671413 /nfs/dbraw/zinc/67/14/13/384671413.db2.gz RYIGNKBQGUWSPC-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1ccsc1C[NH2+]Cc1cccc(C)c1O ZINC000124746858 387632168 /nfs/dbraw/zinc/63/21/68/387632168.db2.gz SMBDKBYXXLAWQC-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@H]2CC=CCC2)c1O ZINC000124751559 179094095 /nfs/dbraw/zinc/09/40/95/179094095.db2.gz WGJCXNQKXDJMAM-ZDUSSCGKSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CC=CCC2)c1O ZINC000124751800 179092855 /nfs/dbraw/zinc/09/28/55/179092855.db2.gz WGJCXNQKXDJMAM-CYBMUJFWSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1cccc(C[NH2+]CC2(C)CCCC2)c1O ZINC000124812873 590090859 /nfs/dbraw/zinc/09/08/59/590090859.db2.gz YFGFDKJJQIKVQB-UHFFFAOYSA-N 1 0 233.355 3.371 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H](C)C(C)(C)C)c1O ZINC000124824029 590091584 /nfs/dbraw/zinc/09/15/84/590091584.db2.gz ZHCAHPCKZGQWFE-GFCCVEGCSA-N 1 0 235.371 3.472 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@H](C)C(C)(C)C)c1O ZINC000124824269 590091787 /nfs/dbraw/zinc/09/17/87/590091787.db2.gz ZHCAHPCKZGQWFE-LBPRGKRZSA-N 1 0 235.371 3.472 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H](C)C2CCCC2)c1O ZINC000124826494 590091356 /nfs/dbraw/zinc/09/13/56/590091356.db2.gz QKLFGOOSCYBGQY-LBPRGKRZSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@H](C)C2CCCC2)c1O ZINC000124826702 590091115 /nfs/dbraw/zinc/09/11/15/590091115.db2.gz QKLFGOOSCYBGQY-GFCCVEGCSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+]CCCC(F)(F)F)c1O ZINC000124844056 179091124 /nfs/dbraw/zinc/09/11/24/179091124.db2.gz ZZQWIGNGMWLJJG-UHFFFAOYSA-N 1 0 247.260 3.133 20 10 BGCDRO Cc1cccc(C[NH2+]CC(C2CC2)C2CC2)c1O ZINC000124847531 590094346 /nfs/dbraw/zinc/09/43/46/590094346.db2.gz QFUVSKQHVPQFGA-UHFFFAOYSA-N 1 0 245.366 3.226 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CCCC2(C)C)c1O ZINC000124851509 590094727 /nfs/dbraw/zinc/09/47/27/590094727.db2.gz UELKYUASQXFPST-CYBMUJFWSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CCCC2(C)C)c1O ZINC000124851744 590094362 /nfs/dbraw/zinc/09/43/62/590094362.db2.gz UELKYUASQXFPST-ZDUSSCGKSA-N 1 0 233.355 3.369 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1 ZINC000124954009 590104043 /nfs/dbraw/zinc/10/40/43/590104043.db2.gz UVBHQRHEWNDUSB-AWEZNQCLSA-N 1 0 246.398 3.421 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1 ZINC000124954364 590103475 /nfs/dbraw/zinc/10/34/75/590103475.db2.gz UVBHQRHEWNDUSB-CQSZACIVSA-N 1 0 246.398 3.421 20 10 BGCDRO Oc1cccc(Cl)c1C[NH2+]CCCC1CC1 ZINC000124957467 590103974 /nfs/dbraw/zinc/10/39/74/590103974.db2.gz SJPNSWWXSKFWNK-UHFFFAOYSA-N 1 0 239.746 3.325 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1O ZINC000124980509 590107816 /nfs/dbraw/zinc/10/78/16/590107816.db2.gz KJDZVMJFJKGBOO-RISCZKNCSA-N 1 0 233.355 3.479 20 10 BGCDRO CC[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1O ZINC000124980689 590107113 /nfs/dbraw/zinc/10/71/13/590107113.db2.gz KJDZVMJFJKGBOO-BXUZGUMPSA-N 1 0 233.355 3.479 20 10 BGCDRO CC[C@H]([NH2+]C[C@H](C)C1CC1)c1ccccc1O ZINC000124980958 590107380 /nfs/dbraw/zinc/10/73/80/590107380.db2.gz KJDZVMJFJKGBOO-FZMZJTMJSA-N 1 0 233.355 3.479 20 10 BGCDRO CC[C@@H]([NH2+]C[C@H](C)C1CC1)c1ccccc1O ZINC000124981185 590107424 /nfs/dbraw/zinc/10/74/24/590107424.db2.gz KJDZVMJFJKGBOO-SMDDNHRTSA-N 1 0 233.355 3.479 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000125222940 711719563 /nfs/dbraw/zinc/71/95/63/711719563.db2.gz SKTAUYYWDUTQPG-NSHDSACASA-N 1 0 233.355 3.241 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000125223158 711719631 /nfs/dbraw/zinc/71/96/31/711719631.db2.gz SKTAUYYWDUTQPG-LLVKDONJSA-N 1 0 233.355 3.241 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+]C2CC=CC2)cc1 ZINC000125247163 590159387 /nfs/dbraw/zinc/15/93/87/590159387.db2.gz ZWMDNJICGZPQGE-UHFFFAOYSA-N 1 0 244.382 3.341 20 10 BGCDRO Cc1cc(C)c(O)c(C[NH+]2CCC(C)CC2)c1 ZINC000125577945 634565205 /nfs/dbraw/zinc/56/52/05/634565205.db2.gz ZTTHPSLMPDXWJX-UHFFFAOYSA-N 1 0 233.355 3.241 20 10 BGCDRO CCOc1cccc(C[N@H+](CC)CC2CC2)c1O ZINC000125645405 384737691 /nfs/dbraw/zinc/73/76/91/384737691.db2.gz ODWLQVDJTAZGPV-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[N@@H+](Cc1cc(Cl)ccc1O)CC1CC1 ZINC000125646396 590175976 /nfs/dbraw/zinc/17/59/76/590175976.db2.gz ILZJCZFTHATVCP-UHFFFAOYSA-N 1 0 239.746 3.278 20 10 BGCDRO CC[N@@H+](Cc1c(O)cccc1Cl)CC1CC1 ZINC000125656413 590176717 /nfs/dbraw/zinc/17/67/17/590176717.db2.gz QHKLKKAVZXPZKM-UHFFFAOYSA-N 1 0 239.746 3.278 20 10 BGCDRO CCOc1ccc(O)c(C[N@H+](CC)CC2CC2)c1 ZINC000125669161 384737264 /nfs/dbraw/zinc/73/72/64/384737264.db2.gz RLBLARXUBFGTMT-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccoc1)c1ccccc1O ZINC000125997080 384762373 /nfs/dbraw/zinc/76/23/73/384762373.db2.gz GRPBVHCLJXKREC-ZDUSSCGKSA-N 1 0 231.295 3.226 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccoc1)c1ccccc1O ZINC000125997301 345101816 /nfs/dbraw/zinc/10/18/16/345101816.db2.gz GRPBVHCLJXKREC-CYBMUJFWSA-N 1 0 231.295 3.226 20 10 BGCDRO CC[N@H+](Cc1ccc(N(C)C)c(F)c1)C(C)C ZINC000126358816 590287496 /nfs/dbraw/zinc/28/74/96/590287496.db2.gz UPUONHLOURDJIE-UHFFFAOYSA-N 1 0 238.350 3.122 20 10 BGCDRO CCOc1ccc(O)c(C[N@H+](CC)C(C)C)c1 ZINC000126384797 384796581 /nfs/dbraw/zinc/79/65/81/384796581.db2.gz XSGNZBOWSPFYDR-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO COc1ccc(C[NH2+][C@@H](C)C2(C)CC2)cc1C ZINC000126971601 590525724 /nfs/dbraw/zinc/52/57/24/590525724.db2.gz PNPWAZOVCDQQFM-LBPRGKRZSA-N 1 0 233.355 3.282 20 10 BGCDRO COc1ccc(C[NH2+][C@H](C)C2(C)CC2)cc1C ZINC000126971811 590526088 /nfs/dbraw/zinc/52/60/88/590526088.db2.gz PNPWAZOVCDQQFM-GFCCVEGCSA-N 1 0 233.355 3.282 20 10 BGCDRO CC[C@H]([NH2+]CCCF)c1ccc(N(C)C)cc1 ZINC000126978108 590526758 /nfs/dbraw/zinc/52/67/58/590526758.db2.gz IMSVMIPZGNAKOY-AWEZNQCLSA-N 1 0 238.350 3.153 20 10 BGCDRO CC[C@@H]([NH2+]CCCF)c1ccc(N(C)C)cc1 ZINC000126978309 590526746 /nfs/dbraw/zinc/52/67/46/590526746.db2.gz IMSVMIPZGNAKOY-CQSZACIVSA-N 1 0 238.350 3.153 20 10 BGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC000126999023 590527153 /nfs/dbraw/zinc/52/71/53/590527153.db2.gz ZZRCEHULBJTZLL-GFCCVEGCSA-N 1 0 238.350 3.153 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC000126999262 590527374 /nfs/dbraw/zinc/52/73/74/590527374.db2.gz ZZRCEHULBJTZLL-LBPRGKRZSA-N 1 0 238.350 3.153 20 10 BGCDRO CN(C)c1ccc(C[N@@H+]2CCCC2(C)C)cc1 ZINC000127260441 590602240 /nfs/dbraw/zinc/60/22/40/590602240.db2.gz HYFSGVFPMQKHDZ-UHFFFAOYSA-N 1 0 232.371 3.127 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CCCC2(C)C)cc1C ZINC000127266939 590603566 /nfs/dbraw/zinc/60/35/66/590603566.db2.gz JXWZOAZXDDRFJT-UHFFFAOYSA-N 1 0 233.355 3.383 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC2(C)C)c1 ZINC000127274633 590605421 /nfs/dbraw/zinc/60/54/21/590605421.db2.gz JCNCQDWZBWZDRB-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)CSC)c1ccccc1O ZINC000127390597 590636336 /nfs/dbraw/zinc/63/63/36/590636336.db2.gz NWMDPKOOQPJQTC-JQWIXIFHSA-N 1 0 239.384 3.184 20 10 BGCDRO CC[C@@H]([NH2+][C@@H](C)CSC)c1ccccc1O ZINC000127390798 590636421 /nfs/dbraw/zinc/63/64/21/590636421.db2.gz NWMDPKOOQPJQTC-CMPLNLGQSA-N 1 0 239.384 3.184 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)CSC)c1ccccc1O ZINC000127391019 590636244 /nfs/dbraw/zinc/63/62/44/590636244.db2.gz NWMDPKOOQPJQTC-PWSUYJOCSA-N 1 0 239.384 3.184 20 10 BGCDRO CC[C@@H]([NH2+][C@H](C)CSC)c1ccccc1O ZINC000127391221 590635815 /nfs/dbraw/zinc/63/58/15/590635815.db2.gz NWMDPKOOQPJQTC-ZYHUDNBSSA-N 1 0 239.384 3.184 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1c1ccc[nH]1 ZINC000127458258 183301259 /nfs/dbraw/zinc/30/12/59/183301259.db2.gz LMBXIZWTMRIQFE-CQSZACIVSA-N 1 0 242.322 3.057 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1c1ccc[nH]1 ZINC000127458478 183302348 /nfs/dbraw/zinc/30/23/48/183302348.db2.gz LMBXIZWTMRIQFE-AWEZNQCLSA-N 1 0 242.322 3.057 20 10 BGCDRO CCSCC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000127498192 384905569 /nfs/dbraw/zinc/90/55/69/384905569.db2.gz VJYYIWWBGLFEDF-LLVKDONJSA-N 1 0 239.384 3.014 20 10 BGCDRO CCSCC[C@H](C)[NH2+]Cc1ccccc1O ZINC000127498411 384904595 /nfs/dbraw/zinc/90/45/95/384904595.db2.gz VJYYIWWBGLFEDF-NSHDSACASA-N 1 0 239.384 3.014 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000128492102 591093970 /nfs/dbraw/zinc/09/39/70/591093970.db2.gz PFJRHESMNRWQIS-ZJUUUORDSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000128492329 591094609 /nfs/dbraw/zinc/09/46/09/591094609.db2.gz PFJRHESMNRWQIS-UWVGGRQHSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000128492605 591095005 /nfs/dbraw/zinc/09/50/05/591095005.db2.gz PFJRHESMNRWQIS-NXEZZACHSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000128500366 591097622 /nfs/dbraw/zinc/09/76/22/591097622.db2.gz QVLNQZFYYYBJAB-WOPDTQHZSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccc1O ZINC000128500562 591098159 /nfs/dbraw/zinc/09/81/59/591098159.db2.gz QVLNQZFYYYBJAB-SRVKXCTJSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000128500792 591099014 /nfs/dbraw/zinc/09/90/14/591099014.db2.gz QVLNQZFYYYBJAB-GRYCIOLGSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1O ZINC000128501000 591098278 /nfs/dbraw/zinc/09/82/78/591098278.db2.gz QVLNQZFYYYBJAB-SDDRHHMPSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000128552254 591118702 /nfs/dbraw/zinc/11/87/02/591118702.db2.gz DFTULKJPLFOFRI-SKDRFNHKSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000128552463 591120620 /nfs/dbraw/zinc/12/06/20/591120620.db2.gz DFTULKJPLFOFRI-CABZTGNLSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000128552690 591120569 /nfs/dbraw/zinc/12/05/69/591120569.db2.gz DFTULKJPLFOFRI-BXKDBHETSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000128552876 591119694 /nfs/dbraw/zinc/11/96/94/591119694.db2.gz DFTULKJPLFOFRI-JOYOIKCWSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000128563426 591126041 /nfs/dbraw/zinc/12/60/41/591126041.db2.gz VGRIVNIIYWCVAH-LBPRGKRZSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CCC1 ZINC000128563651 591126028 /nfs/dbraw/zinc/12/60/28/591126028.db2.gz VGRIVNIIYWCVAH-GFCCVEGCSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000128564313 591125446 /nfs/dbraw/zinc/12/54/46/591125446.db2.gz AFGUHQMPHJZSJO-ZDUSSCGKSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000128564533 591126366 /nfs/dbraw/zinc/12/63/66/591126366.db2.gz AFGUHQMPHJZSJO-CYBMUJFWSA-N 1 0 246.398 3.421 20 10 BGCDRO CCC1([NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000129057065 591225401 /nfs/dbraw/zinc/22/54/01/591225401.db2.gz WQGBGGFEJPKWBN-UHFFFAOYSA-N 1 0 239.746 3.468 20 10 BGCDRO Cc1ccc(F)cc1C[NH2+]Cc1ccccc1O ZINC000129058852 591225424 /nfs/dbraw/zinc/22/54/24/591225424.db2.gz UUYLMDMGJIKFNO-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO CCC1([NH2+]Cc2cc(C)ccc2O)CCC1 ZINC000129076025 385108305 /nfs/dbraw/zinc/10/83/05/385108305.db2.gz VYJSPYPOWAUJBR-UHFFFAOYSA-N 1 0 219.328 3.123 20 10 BGCDRO CCC(CC)CN(C)c1ccc(N)cc1 ZINC000129189769 591267256 /nfs/dbraw/zinc/26/72/56/591267256.db2.gz MCJQDVBNCUZQLP-UHFFFAOYSA-N 1 0 206.333 3.141 20 10 BGCDRO Cc1cccc(C)c1C[NH2+]Cc1ccccc1O ZINC000129286568 179037346 /nfs/dbraw/zinc/03/73/46/179037346.db2.gz NBXGSXBPOYZDSC-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO C[C@H]([NH2+]Cc1ccoc1)c1ccc(N(C)C)cc1 ZINC000129302161 387767854 /nfs/dbraw/zinc/76/78/54/387767854.db2.gz JJVBTJFKDUFGTK-LBPRGKRZSA-N 1 0 244.338 3.196 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccoc1)c1ccc(N(C)C)cc1 ZINC000129302370 175905416 /nfs/dbraw/zinc/90/54/16/175905416.db2.gz JJVBTJFKDUFGTK-GFCCVEGCSA-N 1 0 244.338 3.196 20 10 BGCDRO CCCC(CCC)[NH2+]Cc1ccccc1O ZINC000129341243 591281726 /nfs/dbraw/zinc/28/17/26/591281726.db2.gz BKHGTGDUBNHRNA-UHFFFAOYSA-N 1 0 221.344 3.451 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000129645013 176870952 /nfs/dbraw/zinc/87/09/52/176870952.db2.gz MJYNJDDYZPHBJL-MBNYWOFBSA-N 1 0 232.371 3.059 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000129645209 387776170 /nfs/dbraw/zinc/77/61/70/387776170.db2.gz MJYNJDDYZPHBJL-SGMGOOAPSA-N 1 0 232.371 3.059 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000129645435 387776278 /nfs/dbraw/zinc/77/62/78/387776278.db2.gz MJYNJDDYZPHBJL-DYEKYZERSA-N 1 0 232.371 3.059 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000129645659 176862986 /nfs/dbraw/zinc/86/29/86/176862986.db2.gz MJYNJDDYZPHBJL-OBJOEFQTSA-N 1 0 232.371 3.059 20 10 BGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000129887827 591417103 /nfs/dbraw/zinc/41/71/03/591417103.db2.gz XHQAJVZUEHVIOY-STQMWFEESA-N 1 0 246.398 3.449 20 10 BGCDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000129888015 591416717 /nfs/dbraw/zinc/41/67/17/591416717.db2.gz XHQAJVZUEHVIOY-OLZOCXBDSA-N 1 0 246.398 3.449 20 10 BGCDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N(C)C)cc1)C1CC1 ZINC000129888219 591416472 /nfs/dbraw/zinc/41/64/72/591416472.db2.gz XHQAJVZUEHVIOY-QWHCGFSZSA-N 1 0 246.398 3.449 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccc(N(C)C)cc1 ZINC000129888435 591416519 /nfs/dbraw/zinc/41/65/19/591416519.db2.gz XHQAJVZUEHVIOY-CHWSQXEVSA-N 1 0 246.398 3.449 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH2+]CCC1CCC1 ZINC000130343904 591458287 /nfs/dbraw/zinc/45/82/87/591458287.db2.gz BHCJXMRTAXGNRX-UHFFFAOYSA-N 1 0 239.746 3.325 20 10 BGCDRO COc1ccc(C[NH2+][C@@H](C)C2CCC2)cc1C ZINC000130450088 591473920 /nfs/dbraw/zinc/47/39/20/591473920.db2.gz FBYMYQDBZZHCSU-LBPRGKRZSA-N 1 0 233.355 3.282 20 10 BGCDRO COc1ccc(C[NH2+][C@H](C)C2CCC2)cc1C ZINC000130450315 591473820 /nfs/dbraw/zinc/47/38/20/591473820.db2.gz FBYMYQDBZZHCSU-GFCCVEGCSA-N 1 0 233.355 3.282 20 10 BGCDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000130512036 345276975 /nfs/dbraw/zinc/27/69/75/345276975.db2.gz QVRJENDDTRDHLB-YPMHNXCESA-N 1 0 219.328 3.061 20 10 BGCDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000130512259 385255965 /nfs/dbraw/zinc/25/59/65/385255965.db2.gz QVRJENDDTRDHLB-AAEUAGOBSA-N 1 0 219.328 3.061 20 10 BGCDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000130512480 171001855 /nfs/dbraw/zinc/00/18/55/171001855.db2.gz QVRJENDDTRDHLB-DGCLKSJQSA-N 1 0 219.328 3.061 20 10 BGCDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000130512668 385257016 /nfs/dbraw/zinc/25/70/16/385257016.db2.gz QVRJENDDTRDHLB-WCQYABFASA-N 1 0 219.328 3.061 20 10 BGCDRO CN(C)c1ccc(C[NH2+]CCCC2CC2)cc1 ZINC000130627693 636141209 /nfs/dbraw/zinc/14/12/09/636141209.db2.gz OHMOACKIQXHCGZ-UHFFFAOYSA-N 1 0 232.371 3.032 20 10 BGCDRO CCOc1cccc(C[NH2+]CCCC2CC2)c1O ZINC000130629221 591488190 /nfs/dbraw/zinc/48/81/90/591488190.db2.gz SIECORWULPFPNZ-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO Cc1cccnc1NCc1c(O)cccc1Cl ZINC000130974079 591539974 /nfs/dbraw/zinc/53/99/74/591539974.db2.gz YYIJEMOGWYYQEE-UHFFFAOYSA-N 1 0 248.713 3.361 20 10 BGCDRO Cc1ccnc(NCc2c(O)cccc2Cl)c1 ZINC000131084714 591550721 /nfs/dbraw/zinc/55/07/21/591550721.db2.gz ZAGYBMAWDGXYAI-UHFFFAOYSA-N 1 0 248.713 3.361 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)c2ccco2)c1 ZINC000131121372 385309545 /nfs/dbraw/zinc/30/95/45/385309545.db2.gz QRULTRYRCBFXML-LBPRGKRZSA-N 1 0 245.322 3.487 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)c2ccco2)c1 ZINC000131121621 385310306 /nfs/dbraw/zinc/31/03/06/385310306.db2.gz QRULTRYRCBFXML-GFCCVEGCSA-N 1 0 245.322 3.487 20 10 BGCDRO CC[C@H]([NH2+]CC1CC1)c1ccc(N(C)C)cc1 ZINC000131132796 385311391 /nfs/dbraw/zinc/31/13/91/385311391.db2.gz YTYZCEVENXXJAE-HNNXBMFYSA-N 1 0 232.371 3.203 20 10 BGCDRO CC[C@@H]([NH2+]CC1CC1)c1ccc(N(C)C)cc1 ZINC000131132975 170892404 /nfs/dbraw/zinc/89/24/04/170892404.db2.gz YTYZCEVENXXJAE-OAHLLOKOSA-N 1 0 232.371 3.203 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000131172077 591564658 /nfs/dbraw/zinc/56/46/58/591564658.db2.gz RXQCIVOBSDDRJP-WOPDTQHZSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000131172286 591565644 /nfs/dbraw/zinc/56/56/44/591565644.db2.gz RXQCIVOBSDDRJP-SRVKXCTJSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000131172511 591564616 /nfs/dbraw/zinc/56/46/16/591564616.db2.gz RXQCIVOBSDDRJP-GRYCIOLGSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000131172635 591565660 /nfs/dbraw/zinc/56/56/60/591565660.db2.gz RXQCIVOBSDDRJP-SDDRHHMPSA-N 1 0 249.354 3.240 20 10 BGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H](C)C2)c1O ZINC000131206501 591571409 /nfs/dbraw/zinc/57/14/09/591571409.db2.gz HPGQZYQHCFIGOM-WCQYABFASA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@H]2CC[C@H](C)C2)c1O ZINC000131206709 591572122 /nfs/dbraw/zinc/57/21/22/591572122.db2.gz HPGQZYQHCFIGOM-AAEUAGOBSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c1O ZINC000131206902 591572192 /nfs/dbraw/zinc/57/21/92/591572192.db2.gz HPGQZYQHCFIGOM-DGCLKSJQSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1O ZINC000131207132 591572011 /nfs/dbraw/zinc/57/20/11/591572011.db2.gz HPGQZYQHCFIGOM-YPMHNXCESA-N 1 0 249.354 3.069 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(F)ccc1O ZINC000131259659 591579980 /nfs/dbraw/zinc/57/99/80/591579980.db2.gz SGWDYKLULNRYOS-SCVCMEIPSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(F)ccc1O ZINC000131260062 591580583 /nfs/dbraw/zinc/58/05/83/591580583.db2.gz SGWDYKLULNRYOS-JFGNBEQYSA-N 1 0 237.318 3.371 20 10 BGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000131532301 591617699 /nfs/dbraw/zinc/61/76/99/591617699.db2.gz HIRPOJWPUOTWLI-CQSZACIVSA-N 1 0 233.355 3.465 20 10 BGCDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1O ZINC000131532512 591617026 /nfs/dbraw/zinc/61/70/26/591617026.db2.gz HIRPOJWPUOTWLI-AWEZNQCLSA-N 1 0 233.355 3.465 20 10 BGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000131539278 591617553 /nfs/dbraw/zinc/61/75/53/591617553.db2.gz FAOMHJMWOMOYJV-CYBMUJFWSA-N 1 0 249.354 3.165 20 10 BGCDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(OC)ccc1O ZINC000131539460 591616903 /nfs/dbraw/zinc/61/69/03/591616903.db2.gz FAOMHJMWOMOYJV-ZDUSSCGKSA-N 1 0 249.354 3.165 20 10 BGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000131542778 345301765 /nfs/dbraw/zinc/30/17/65/345301765.db2.gz UULFGHLZBNLVMS-CYBMUJFWSA-N 1 0 249.354 3.165 20 10 BGCDRO CC[C@H]1CCCC[N@@H+]1Cc1cccc(OC)c1O ZINC000131543018 385341069 /nfs/dbraw/zinc/34/10/69/385341069.db2.gz UULFGHLZBNLVMS-ZDUSSCGKSA-N 1 0 249.354 3.165 20 10 BGCDRO CCCC[N@H+](C)Cc1cccc(OCC)c1O ZINC000131638529 385348289 /nfs/dbraw/zinc/34/82/89/385348289.db2.gz YWVXUAUVAWMUIA-UHFFFAOYSA-N 1 0 237.343 3.023 20 10 BGCDRO CCC[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000131643243 591635790 /nfs/dbraw/zinc/63/57/90/591635790.db2.gz RQIGHTNIFGVWCA-AWEZNQCLSA-N 1 0 220.360 3.203 20 10 BGCDRO CCC[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000131643457 591635638 /nfs/dbraw/zinc/63/56/38/591635638.db2.gz RQIGHTNIFGVWCA-CQSZACIVSA-N 1 0 220.360 3.203 20 10 BGCDRO CCCC[N@H+](CC)Cc1cccc(OC)c1O ZINC000131662961 385351666 /nfs/dbraw/zinc/35/16/66/385351666.db2.gz MVIYSSSFAWIESK-UHFFFAOYSA-N 1 0 237.343 3.023 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)C2CCCCC2)c1 ZINC000131737897 591649775 /nfs/dbraw/zinc/64/97/75/591649775.db2.gz YDVRDYCDAMVUKU-UHFFFAOYSA-N 1 0 233.355 3.465 20 10 BGCDRO COc1ccc(O)c(C[N@H+](C)C2CCCCC2)c1 ZINC000131741718 175157462 /nfs/dbraw/zinc/15/74/62/175157462.db2.gz HRJZXDIUJAWOFP-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO COc1cccc(C[N@H+](C)C2CCCCC2)c1O ZINC000131743643 175254184 /nfs/dbraw/zinc/25/41/84/175254184.db2.gz KGLRMVVQKWOCSZ-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000131806025 591664264 /nfs/dbraw/zinc/66/42/64/591664264.db2.gz BDXHEURBENZKMA-STQMWFEESA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000131806240 591664742 /nfs/dbraw/zinc/66/47/42/591664742.db2.gz BDXHEURBENZKMA-CHWSQXEVSA-N 1 0 233.355 3.179 20 10 BGCDRO CCOc1cccc(C[NH+]2CCC(C)CC2)c1O ZINC000131860331 385365735 /nfs/dbraw/zinc/36/57/35/385365735.db2.gz WXUDUMKQUNTFOO-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CCCOc1ccc(C[NH+](CC)CC)c(O)c1 ZINC000131867978 169318448 /nfs/dbraw/zinc/31/84/48/169318448.db2.gz PFVXQYSGQHYMLB-UHFFFAOYSA-N 1 0 237.343 3.023 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@@H]2C)c1O ZINC000131878548 385368265 /nfs/dbraw/zinc/36/82/65/385368265.db2.gz FXJHROBVWCJELR-LBPRGKRZSA-N 1 0 249.354 3.165 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CCCC[C@H]2C)c1O ZINC000131878762 385368082 /nfs/dbraw/zinc/36/80/82/385368082.db2.gz FXJHROBVWCJELR-GFCCVEGCSA-N 1 0 249.354 3.165 20 10 BGCDRO CCCOc1ccc(C[N@H+](C)C(C)C)c(O)c1 ZINC000131960119 169318471 /nfs/dbraw/zinc/31/84/71/169318471.db2.gz JMWKLFRYJJVIGL-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO CCC[NH+](CCC)Cc1cc(OC)ccc1O ZINC000131968393 169149680 /nfs/dbraw/zinc/14/96/80/169149680.db2.gz LXFKSTYGMSNGFS-UHFFFAOYSA-N 1 0 237.343 3.023 20 10 BGCDRO CCC[NH+](CCC)Cc1cccc(OC)c1O ZINC000131969907 169149547 /nfs/dbraw/zinc/14/95/47/169149547.db2.gz VQCQMKITPRLVMT-UHFFFAOYSA-N 1 0 237.343 3.023 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2CCCCCCC2)c1 ZINC000131975099 591681889 /nfs/dbraw/zinc/68/18/89/591681889.db2.gz BZVDCFJFEVEBPR-UHFFFAOYSA-N 1 0 233.355 3.467 20 10 BGCDRO COc1ccc(O)c(C[NH+]2CCCCCCC2)c1 ZINC000131979810 591682767 /nfs/dbraw/zinc/68/27/67/591682767.db2.gz TUIUSHGJUJSBRC-UHFFFAOYSA-N 1 0 249.354 3.167 20 10 BGCDRO COc1cccc(C[NH+]2CCCCCCC2)c1O ZINC000131981733 175257334 /nfs/dbraw/zinc/25/73/34/175257334.db2.gz NKMOVPKQKSDJAW-UHFFFAOYSA-N 1 0 249.354 3.167 20 10 BGCDRO CCOc1cccc(C[N@H+](C)[C@H](C)CC)c1O ZINC000132026631 591683260 /nfs/dbraw/zinc/68/32/60/591683260.db2.gz LOPJDOKLMLQFON-LLVKDONJSA-N 1 0 237.343 3.021 20 10 BGCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)CC)c1O ZINC000132026835 591683660 /nfs/dbraw/zinc/68/36/60/591683660.db2.gz LOPJDOKLMLQFON-NSHDSACASA-N 1 0 237.343 3.021 20 10 BGCDRO CCC[N@H+](Cc1cc(OC)ccc1O)C(C)C ZINC000132049459 645852340 /nfs/dbraw/zinc/85/23/40/645852340.db2.gz PLTCJLHKIRJEDC-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO CCOc1cccc(C[N@H+](CC)C(C)C)c1O ZINC000132080991 384214700 /nfs/dbraw/zinc/21/47/00/384214700.db2.gz BQBZGRREMNTSGN-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO CCCOc1ccc(C[N@H+](C)CCC)c(O)c1 ZINC000132083766 169318353 /nfs/dbraw/zinc/31/83/53/169318353.db2.gz CNLQZDCEHRYZQT-UHFFFAOYSA-N 1 0 237.343 3.023 20 10 BGCDRO CC[N@H+](Cc1cc(C)ccc1O)C1CCCC1 ZINC000132152298 591690966 /nfs/dbraw/zinc/69/09/66/591690966.db2.gz SEDDVVVOXLDJCV-UHFFFAOYSA-N 1 0 233.355 3.465 20 10 BGCDRO CC[N@H+](Cc1cccc(OC)c1O)C1CCCC1 ZINC000132160300 345320074 /nfs/dbraw/zinc/32/00/74/345320074.db2.gz FIRSIXGNOHOSJU-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO CC(C)[C@@H](C)[NH2+]CCCSc1nccs1 ZINC000132185586 591691596 /nfs/dbraw/zinc/69/15/96/591691596.db2.gz OUOYAXQEUVLSTQ-SNVBAGLBSA-N 1 0 244.429 3.259 20 10 BGCDRO CC(C)[C@H](C)[NH2+]CCCSc1nccs1 ZINC000132185832 591692572 /nfs/dbraw/zinc/69/25/72/591692572.db2.gz OUOYAXQEUVLSTQ-JTQLQIEISA-N 1 0 244.429 3.259 20 10 BGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000132242035 591696050 /nfs/dbraw/zinc/69/60/50/591696050.db2.gz KDCSQEYHWJRKRA-CYBMUJFWSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[C@H]1CCC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000132242223 591695598 /nfs/dbraw/zinc/69/55/98/591695598.db2.gz KDCSQEYHWJRKRA-ZDUSSCGKSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000132249192 591695912 /nfs/dbraw/zinc/69/59/12/591695912.db2.gz MQRDVKRSRNTTEF-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000132249407 591695575 /nfs/dbraw/zinc/69/55/75/591695575.db2.gz MQRDVKRSRNTTEF-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000132252718 345324067 /nfs/dbraw/zinc/32/40/67/345324067.db2.gz NSRXKJZRUYENLG-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@H]1CCC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000132252918 384221452 /nfs/dbraw/zinc/22/14/52/384221452.db2.gz NSRXKJZRUYENLG-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO C[C@H]([NH2+]CCCSc1nccs1)C1CC1 ZINC000132285679 591698406 /nfs/dbraw/zinc/69/84/06/591698406.db2.gz DVGSCAWJMRFWKI-VIFPVBQESA-N 1 0 242.413 3.013 20 10 BGCDRO C[C@@H]([NH2+]CCCSc1nccs1)C1CC1 ZINC000132285892 591698063 /nfs/dbraw/zinc/69/80/63/591698063.db2.gz DVGSCAWJMRFWKI-SECBINFHSA-N 1 0 242.413 3.013 20 10 BGCDRO CCC[C@@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000132292188 169365620 /nfs/dbraw/zinc/36/56/20/169365620.db2.gz PWROCYZECLBUAQ-LLVKDONJSA-N 1 0 237.343 3.021 20 10 BGCDRO CCC[C@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000132292411 384225501 /nfs/dbraw/zinc/22/55/01/384225501.db2.gz PWROCYZECLBUAQ-NSHDSACASA-N 1 0 237.343 3.021 20 10 BGCDRO CCC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000132293869 169365590 /nfs/dbraw/zinc/36/55/90/169365590.db2.gz AQWLROJUKGVSQH-LLVKDONJSA-N 1 0 237.343 3.021 20 10 BGCDRO CCC[C@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000132294071 384224482 /nfs/dbraw/zinc/22/44/82/384224482.db2.gz AQWLROJUKGVSQH-NSHDSACASA-N 1 0 237.343 3.021 20 10 BGCDRO CC(C)(C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000132372585 591705154 /nfs/dbraw/zinc/70/51/54/591705154.db2.gz GUCUGIHHVYUGSU-UHFFFAOYSA-N 1 0 233.355 3.147 20 10 BGCDRO C[N@H+](Cc1cc(Cl)ccc1O)C1CCCC1 ZINC000132420844 591707805 /nfs/dbraw/zinc/70/78/05/591707805.db2.gz QRXFFWYXKCGGMI-UHFFFAOYSA-N 1 0 239.746 3.420 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)C2CCCC2)c1 ZINC000132421098 384231226 /nfs/dbraw/zinc/23/12/26/384231226.db2.gz MRDAVYGFLJCRBK-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO C[N@H+](Cc1c(O)cccc1Cl)C1CCCC1 ZINC000132422094 591708944 /nfs/dbraw/zinc/70/89/44/591708944.db2.gz YYBPAKDJTKSXCI-UHFFFAOYSA-N 1 0 239.746 3.420 20 10 BGCDRO CCCC[N@H+](C)Cc1c(O)cccc1Cl ZINC000132427755 591708421 /nfs/dbraw/zinc/70/84/21/591708421.db2.gz ROJOGRUHZCGJMU-UHFFFAOYSA-N 1 0 227.735 3.278 20 10 BGCDRO CCCC[N@H+](CC)Cc1cc(C)ccc1O ZINC000132431733 591709127 /nfs/dbraw/zinc/70/91/27/591709127.db2.gz SVIPHXFORARZQU-UHFFFAOYSA-N 1 0 221.344 3.323 20 10 BGCDRO CC1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000132436445 591707857 /nfs/dbraw/zinc/70/78/57/591707857.db2.gz KHYAZQBKTZWQEL-UHFFFAOYSA-N 1 0 239.746 3.278 20 10 BGCDRO CC1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000132437995 591708824 /nfs/dbraw/zinc/70/88/24/591708824.db2.gz XJVWFNQSSAXAJO-UHFFFAOYSA-N 1 0 239.746 3.278 20 10 BGCDRO C[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000132458216 591710544 /nfs/dbraw/zinc/71/05/44/591710544.db2.gz VSCZPMGIILQBFE-SNVBAGLBSA-N 1 0 239.746 3.420 20 10 BGCDRO C[C@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000132458415 591710620 /nfs/dbraw/zinc/71/06/20/591710620.db2.gz VSCZPMGIILQBFE-JTQLQIEISA-N 1 0 239.746 3.420 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000132465964 591709775 /nfs/dbraw/zinc/70/97/75/591709775.db2.gz GKDZDKBCRRNXEL-SNVBAGLBSA-N 1 0 239.746 3.278 20 10 BGCDRO C[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000132466102 591710443 /nfs/dbraw/zinc/71/04/43/591710443.db2.gz GKDZDKBCRRNXEL-JTQLQIEISA-N 1 0 239.746 3.278 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000132468541 591711975 /nfs/dbraw/zinc/71/19/75/591711975.db2.gz YHSNAJCCLKCZJX-SNVBAGLBSA-N 1 0 239.746 3.278 20 10 BGCDRO C[C@H]1CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000132468739 591711983 /nfs/dbraw/zinc/71/19/83/591711983.db2.gz YHSNAJCCLKCZJX-JTQLQIEISA-N 1 0 239.746 3.278 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH+]1CCCCCC1 ZINC000132471213 591711845 /nfs/dbraw/zinc/71/18/45/591711845.db2.gz VXGXLQMQYUNGGB-UHFFFAOYSA-N 1 0 239.746 3.422 20 10 BGCDRO Oc1cccc(Cl)c1C[NH+]1CCCCCC1 ZINC000132472199 591711712 /nfs/dbraw/zinc/71/17/12/591711712.db2.gz ZAOQZCLVUYTZBY-UHFFFAOYSA-N 1 0 239.746 3.422 20 10 BGCDRO CCC[NH+](CCC)Cc1cc(C)ccc1O ZINC000132496793 712636856 /nfs/dbraw/zinc/63/68/56/712636856.db2.gz BSEIXLWIRDGNFS-UHFFFAOYSA-N 1 0 221.344 3.323 20 10 BGCDRO CC[C@@H](C)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000132509562 591715272 /nfs/dbraw/zinc/71/52/72/591715272.db2.gz CWMUNEVXFYQDDP-SECBINFHSA-N 1 0 227.735 3.276 20 10 BGCDRO CC[C@H](C)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000132509756 591714624 /nfs/dbraw/zinc/71/46/24/591714624.db2.gz CWMUNEVXFYQDDP-VIFPVBQESA-N 1 0 227.735 3.276 20 10 BGCDRO CC(C)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000132524440 591716661 /nfs/dbraw/zinc/71/66/61/591716661.db2.gz GVNUAUBUFYOZNT-UHFFFAOYSA-N 1 0 227.735 3.133 20 10 BGCDRO CC(C)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000132528221 591716914 /nfs/dbraw/zinc/71/69/14/591716914.db2.gz DNGUWIXPEUPBQW-UHFFFAOYSA-N 1 0 227.735 3.133 20 10 BGCDRO CC[N@@H+](Cc1cc(C)ccc1O)CC(C)C ZINC000132532566 591716949 /nfs/dbraw/zinc/71/69/49/591716949.db2.gz CDXCPYMFMGSNQG-UHFFFAOYSA-N 1 0 221.344 3.179 20 10 BGCDRO CCC[N@H+](Cc1cc(C)ccc1O)C(C)C ZINC000132535938 591716973 /nfs/dbraw/zinc/71/69/73/591716973.db2.gz ZYINWSFAOVZBQE-UHFFFAOYSA-N 1 0 221.344 3.321 20 10 BGCDRO CC[N@H+](C)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000132539586 384235582 /nfs/dbraw/zinc/23/55/82/384235582.db2.gz FQQSPAKZADAUPX-UHFFFAOYSA-N 1 0 234.126 3.151 20 10 BGCDRO CC[C@@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000132551591 591718599 /nfs/dbraw/zinc/71/85/99/591718599.db2.gz UJBAQRSHAJCZDI-SECBINFHSA-N 1 0 227.735 3.242 20 10 BGCDRO CC[C@H](C)[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000132551779 591717962 /nfs/dbraw/zinc/71/79/62/591717962.db2.gz UJBAQRSHAJCZDI-VIFPVBQESA-N 1 0 227.735 3.242 20 10 BGCDRO CC[N@H+](Cc1cc(Cl)ccc1O)C(C)C ZINC000132564229 591720759 /nfs/dbraw/zinc/72/07/59/591720759.db2.gz BVZFPRRVXGRJTC-UHFFFAOYSA-N 1 0 227.735 3.276 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H](C)C2CC2)c1O ZINC000132566541 591720375 /nfs/dbraw/zinc/72/03/75/591720375.db2.gz HHSWWIHLBVSWAZ-VIFPVBQESA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)C2CC2)c1O ZINC000132566745 591720827 /nfs/dbraw/zinc/72/08/27/591720827.db2.gz HHSWWIHLBVSWAZ-SECBINFHSA-N 1 0 239.746 3.242 20 10 BGCDRO CC[N@H+](Cc1c(O)cccc1Cl)C(C)C ZINC000132569423 591720720 /nfs/dbraw/zinc/72/07/20/591720720.db2.gz UUOQIFFLHUYSPB-UHFFFAOYSA-N 1 0 227.735 3.276 20 10 BGCDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C)ccc1O ZINC000132585450 591720882 /nfs/dbraw/zinc/72/08/82/591720882.db2.gz VGJICEFGVZRYGU-LLVKDONJSA-N 1 0 221.344 3.179 20 10 BGCDRO CC[C@H](C)C[N@H+](C)Cc1cc(C)ccc1O ZINC000132585636 591720598 /nfs/dbraw/zinc/72/05/98/591720598.db2.gz VGJICEFGVZRYGU-NSHDSACASA-N 1 0 221.344 3.179 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000132617116 591724837 /nfs/dbraw/zinc/72/48/37/591724837.db2.gz HRJZOPNQTCBKCF-LBPRGKRZSA-N 1 0 221.344 3.177 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000132617327 591724278 /nfs/dbraw/zinc/72/42/78/591724278.db2.gz HRJZOPNQTCBKCF-GFCCVEGCSA-N 1 0 221.344 3.177 20 10 BGCDRO CC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000132623253 591724775 /nfs/dbraw/zinc/72/47/75/591724775.db2.gz QKRUNCZTXMOZPO-GFCCVEGCSA-N 1 0 219.328 3.014 20 10 BGCDRO CC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000132623435 591724492 /nfs/dbraw/zinc/72/44/92/591724492.db2.gz QKRUNCZTXMOZPO-LBPRGKRZSA-N 1 0 219.328 3.014 20 10 BGCDRO CCC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1O ZINC000132625813 591724378 /nfs/dbraw/zinc/72/43/78/591724378.db2.gz KJXDGUCYAATCFF-GFCCVEGCSA-N 1 0 221.344 3.321 20 10 BGCDRO CCC[C@H](C)[N@H+](C)Cc1cc(C)ccc1O ZINC000132625983 591724325 /nfs/dbraw/zinc/72/43/25/591724325.db2.gz KJXDGUCYAATCFF-LBPRGKRZSA-N 1 0 221.344 3.321 20 10 BGCDRO CCC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000132626656 169365153 /nfs/dbraw/zinc/36/51/53/169365153.db2.gz QVNUFLCNQQCDHH-LLVKDONJSA-N 1 0 207.317 3.013 20 10 BGCDRO CCC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000132626883 384196788 /nfs/dbraw/zinc/19/67/88/384196788.db2.gz QVNUFLCNQQCDHH-NSHDSACASA-N 1 0 207.317 3.013 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000132636959 591725779 /nfs/dbraw/zinc/72/57/79/591725779.db2.gz RKGRGHYJFRONKX-GFCCVEGCSA-N 1 0 239.746 3.420 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000132637131 591725892 /nfs/dbraw/zinc/72/58/92/591725892.db2.gz RKGRGHYJFRONKX-LBPRGKRZSA-N 1 0 239.746 3.420 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000132637348 591725912 /nfs/dbraw/zinc/72/59/12/591725912.db2.gz GWLKPBZYSNIUCX-CYBMUJFWSA-N 1 0 219.328 3.075 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000132637563 591726095 /nfs/dbraw/zinc/72/60/95/591726095.db2.gz GWLKPBZYSNIUCX-ZDUSSCGKSA-N 1 0 219.328 3.075 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000132639900 591725336 /nfs/dbraw/zinc/72/53/36/591725336.db2.gz ZIQKUEJOXKZLKP-SNVBAGLBSA-N 1 0 239.746 3.420 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000132640107 591725576 /nfs/dbraw/zinc/72/55/76/591725576.db2.gz ZIQKUEJOXKZLKP-JTQLQIEISA-N 1 0 239.746 3.420 20 10 BGCDRO C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000132644000 591727464 /nfs/dbraw/zinc/72/74/64/591727464.db2.gz OEGFHTHINLQJBO-SECBINFHSA-N 1 0 225.719 3.030 20 10 BGCDRO C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000132644178 591727171 /nfs/dbraw/zinc/72/71/71/591727171.db2.gz OEGFHTHINLQJBO-VIFPVBQESA-N 1 0 225.719 3.030 20 10 BGCDRO C[C@@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000132651359 176108919 /nfs/dbraw/zinc/10/89/19/176108919.db2.gz XPVUYLABCNLDOM-SECBINFHSA-N 1 0 225.719 3.030 20 10 BGCDRO C[C@H]1CCC[N@@H+]1Cc1c(O)cccc1Cl ZINC000132651555 177110021 /nfs/dbraw/zinc/11/00/21/177110021.db2.gz XPVUYLABCNLDOM-VIFPVBQESA-N 1 0 225.719 3.030 20 10 BGCDRO C[C@H]([N@H+](C)Cc1ccccc1O)C(C)(C)C ZINC000132673699 591728612 /nfs/dbraw/zinc/72/86/12/591728612.db2.gz HIYVYNYPRRYEAN-NSHDSACASA-N 1 0 221.344 3.259 20 10 BGCDRO C[C@@H]([N@H+](C)Cc1ccccc1O)C(C)(C)C ZINC000132673870 591728349 /nfs/dbraw/zinc/72/83/49/591728349.db2.gz HIYVYNYPRRYEAN-LLVKDONJSA-N 1 0 221.344 3.259 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000132698092 591730343 /nfs/dbraw/zinc/73/03/43/591730343.db2.gz OYCWRMBUXJMABF-UHFFFAOYSA-N 1 0 221.344 3.179 20 10 BGCDRO CC(C)C[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000132701772 591731393 /nfs/dbraw/zinc/73/13/93/591731393.db2.gz PAABGIJQOPBYEV-GFCCVEGCSA-N 1 0 221.344 3.259 20 10 BGCDRO CC(C)C[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000132701934 591730487 /nfs/dbraw/zinc/73/04/87/591730487.db2.gz PAABGIJQOPBYEV-LBPRGKRZSA-N 1 0 221.344 3.259 20 10 BGCDRO CC(C)C[N@H+](Cc1ccccc1O)C(C)C ZINC000132711279 591732535 /nfs/dbraw/zinc/73/25/35/591732535.db2.gz YAJQPBPQVSOTIR-UHFFFAOYSA-N 1 0 221.344 3.259 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)CCC(C)C)c1 ZINC000132712589 591731979 /nfs/dbraw/zinc/73/19/79/591731979.db2.gz XBWAPINNRMEOCR-UHFFFAOYSA-N 1 0 221.344 3.179 20 10 BGCDRO CCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000132714550 398341108 /nfs/dbraw/zinc/34/11/08/398341108.db2.gz VFZPELGRFQAWOG-UHFFFAOYSA-N 1 0 219.328 3.014 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2ccccc2O)[C@@H]1C ZINC000132715233 176101964 /nfs/dbraw/zinc/10/19/64/176101964.db2.gz GWECJIAKJJSQLJ-VXGBXAGGSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccccc1O ZINC000132715422 177101798 /nfs/dbraw/zinc/10/17/98/177101798.db2.gz GWECJIAKJJSQLJ-NWDGAFQWSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)[C@H](C)C1 ZINC000132716611 176175293 /nfs/dbraw/zinc/17/52/93/176175293.db2.gz WBPYSVQZGZMMSX-VXGBXAGGSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000132716780 177165595 /nfs/dbraw/zinc/16/55/95/177165595.db2.gz WBPYSVQZGZMMSX-NWDGAFQWSA-N 1 0 219.328 3.013 20 10 BGCDRO CC1(C)CC[NH+](Cc2ccccc2O)CC1 ZINC000132719307 591732047 /nfs/dbraw/zinc/73/20/47/591732047.db2.gz NCBSNFWVLFROCL-UHFFFAOYSA-N 1 0 219.328 3.014 20 10 BGCDRO CC1(C)CCC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000132729100 591733569 /nfs/dbraw/zinc/73/35/69/591733569.db2.gz VPLKZWXRJCOBNM-UHFFFAOYSA-N 1 0 239.746 3.420 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC2(C)C)c1 ZINC000132729322 384246462 /nfs/dbraw/zinc/24/64/62/384246462.db2.gz JFFMWZQJLVATDS-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000132729760 591733828 /nfs/dbraw/zinc/73/38/28/591733828.db2.gz GTKKOQQCCLRMDT-OCCSQVGLSA-N 1 0 233.355 3.403 20 10 BGCDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000132729940 591733999 /nfs/dbraw/zinc/73/39/99/591733999.db2.gz GTKKOQQCCLRMDT-JSGCOSHPSA-N 1 0 233.355 3.403 20 10 BGCDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000132730152 591733767 /nfs/dbraw/zinc/73/37/67/591733767.db2.gz GTKKOQQCCLRMDT-TZMCWYRMSA-N 1 0 233.355 3.403 20 10 BGCDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000132730337 591734068 /nfs/dbraw/zinc/73/40/68/591734068.db2.gz GTKKOQQCCLRMDT-GXTWGEPZSA-N 1 0 233.355 3.403 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000132734125 591734149 /nfs/dbraw/zinc/73/41/49/591734149.db2.gz QQWZEIXYFARKAZ-GFCCVEGCSA-N 1 0 219.328 3.014 20 10 BGCDRO C[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000132734325 591733839 /nfs/dbraw/zinc/73/38/39/591733839.db2.gz QQWZEIXYFARKAZ-LBPRGKRZSA-N 1 0 219.328 3.014 20 10 BGCDRO CC1(C)CCC[N@H+](Cc2ccccc2O)C1 ZINC000132735492 384246842 /nfs/dbraw/zinc/24/68/42/384246842.db2.gz QZVIPCMXELEMBQ-UHFFFAOYSA-N 1 0 219.328 3.014 20 10 BGCDRO CCC(C)(C)[N@H+](C)Cc1cc(C)ccc1O ZINC000132738440 591734538 /nfs/dbraw/zinc/73/45/38/591734538.db2.gz RXUOQUXORRGHJU-UHFFFAOYSA-N 1 0 221.344 3.321 20 10 BGCDRO CCC(C)(C)[N@H+](C)Cc1ccccc1O ZINC000132738905 168285620 /nfs/dbraw/zinc/28/56/20/168285620.db2.gz PIHQRRXZFREBGN-UHFFFAOYSA-N 1 0 207.317 3.013 20 10 BGCDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000132742181 591734549 /nfs/dbraw/zinc/73/45/49/591734549.db2.gz FEQMYUAYSFAMHK-GFCCVEGCSA-N 1 0 219.328 3.157 20 10 BGCDRO C[C@H]1CCCCC[N@@H+]1Cc1ccccc1O ZINC000132742381 591734606 /nfs/dbraw/zinc/73/46/06/591734606.db2.gz FEQMYUAYSFAMHK-LBPRGKRZSA-N 1 0 219.328 3.157 20 10 BGCDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000132745046 177184051 /nfs/dbraw/zinc/18/40/51/177184051.db2.gz NBSKVUOHUGPLHN-NEPJUHHUSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000132745338 176197362 /nfs/dbraw/zinc/19/73/62/176197362.db2.gz NBSKVUOHUGPLHN-VXGBXAGGSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccccc1O ZINC000132745546 177184745 /nfs/dbraw/zinc/18/47/45/177184745.db2.gz NBSKVUOHUGPLHN-NWDGAFQWSA-N 1 0 219.328 3.013 20 10 BGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000132747351 491132314 /nfs/dbraw/zinc/13/23/14/491132314.db2.gz BSBIHVGAEKPHKL-ZDUSSCGKSA-N 1 0 219.328 3.013 20 10 BGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000132747582 491132336 /nfs/dbraw/zinc/13/23/36/491132336.db2.gz BSBIHVGAEKPHKL-CYBMUJFWSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1C ZINC000132750612 636237807 /nfs/dbraw/zinc/23/78/07/636237807.db2.gz GCFMXLZOVBGGQA-AOOOYVTPSA-N 1 0 239.746 3.133 20 10 BGCDRO C[C@H]1C[NH+](Cc2cc(Cl)ccc2O)C[C@@H]1C ZINC000132750831 591735153 /nfs/dbraw/zinc/73/51/53/591735153.db2.gz GCFMXLZOVBGGQA-UWVGGRQHSA-N 1 0 239.746 3.133 20 10 BGCDRO C[C@@H]1C[NH+](Cc2cc(Cl)ccc2O)C[C@H]1C ZINC000132751046 591735282 /nfs/dbraw/zinc/73/52/82/591735282.db2.gz GCFMXLZOVBGGQA-NXEZZACHSA-N 1 0 239.746 3.133 20 10 BGCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1C ZINC000132755143 591735181 /nfs/dbraw/zinc/73/51/81/591735181.db2.gz DHPZQJOYDSYXOU-AOOOYVTPSA-N 1 0 239.746 3.133 20 10 BGCDRO C[C@H]1C[NH+](Cc2c(O)cccc2Cl)C[C@@H]1C ZINC000132755338 591735162 /nfs/dbraw/zinc/73/51/62/591735162.db2.gz DHPZQJOYDSYXOU-UWVGGRQHSA-N 1 0 239.746 3.133 20 10 BGCDRO C[C@@H]1C[NH+](Cc2c(O)cccc2Cl)C[C@H]1C ZINC000132755520 591735234 /nfs/dbraw/zinc/73/52/34/591735234.db2.gz DHPZQJOYDSYXOU-NXEZZACHSA-N 1 0 239.746 3.133 20 10 BGCDRO CC[C@@H](C)C[N@H+](CC)Cc1ccccc1O ZINC000132760413 712637575 /nfs/dbraw/zinc/63/75/75/712637575.db2.gz PYGZSJASRAGYTM-GFCCVEGCSA-N 1 0 221.344 3.260 20 10 BGCDRO CC[C@H](C)C[N@H+](CC)Cc1ccccc1O ZINC000132760628 712637540 /nfs/dbraw/zinc/63/75/40/712637540.db2.gz PYGZSJASRAGYTM-LBPRGKRZSA-N 1 0 221.344 3.260 20 10 BGCDRO C[C@H]([NH2+]C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000132775078 384250463 /nfs/dbraw/zinc/25/04/63/384250463.db2.gz PBJSDKLLZIYLPJ-ZDUSSCGKSA-N 1 0 244.382 3.490 20 10 BGCDRO C[C@@H]([NH2+]C1CC1)c1ccc(N2CCCCC2)cc1 ZINC000132775291 384249757 /nfs/dbraw/zinc/24/97/57/384249757.db2.gz PBJSDKLLZIYLPJ-CYBMUJFWSA-N 1 0 244.382 3.490 20 10 BGCDRO COc1ccc(C[NH2+]C[C@@H](C)C2CC2)cc1C ZINC000133016373 591756271 /nfs/dbraw/zinc/75/62/71/591756271.db2.gz JBFWWCJWQXCVRD-GFCCVEGCSA-N 1 0 233.355 3.139 20 10 BGCDRO COc1ccc(C[NH2+]C[C@H](C)C2CC2)cc1C ZINC000133016597 591756128 /nfs/dbraw/zinc/75/61/28/591756128.db2.gz JBFWWCJWQXCVRD-LBPRGKRZSA-N 1 0 233.355 3.139 20 10 BGCDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccccc1O ZINC000133139118 591768566 /nfs/dbraw/zinc/76/85/66/591768566.db2.gz FMNZNGKPPAAZBG-NSHDSACASA-N 1 0 219.328 3.061 20 10 BGCDRO C[C@H](CC1CCC1)[NH2+]Cc1ccccc1O ZINC000133139343 591768404 /nfs/dbraw/zinc/76/84/04/591768404.db2.gz FMNZNGKPPAAZBG-LLVKDONJSA-N 1 0 219.328 3.061 20 10 BGCDRO CCCC[C@@H](CC)[NH2+]Cc1ccccc1O ZINC000133140402 591767809 /nfs/dbraw/zinc/76/78/09/591767809.db2.gz VLXUEBNGWBLASD-CYBMUJFWSA-N 1 0 221.344 3.451 20 10 BGCDRO CCCC[C@H](CC)[NH2+]Cc1ccccc1O ZINC000133140606 591768553 /nfs/dbraw/zinc/76/85/53/591768553.db2.gz VLXUEBNGWBLASD-ZDUSSCGKSA-N 1 0 221.344 3.451 20 10 BGCDRO CCC[N@H+](Cc1cccc(OCC)c1O)C1CC1 ZINC000133239219 169178025 /nfs/dbraw/zinc/17/80/25/169178025.db2.gz YSVKKLHSZPUUGO-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+]C2CC=CC2)c1O ZINC000133458611 591797916 /nfs/dbraw/zinc/79/79/16/591797916.db2.gz KCQUBTRXNZFMFV-UHFFFAOYSA-N 1 0 237.730 3.162 20 10 BGCDRO CCC1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000133577620 591829112 /nfs/dbraw/zinc/82/91/12/591829112.db2.gz XGNUCOCYPHMVEX-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO CCC1CC[NH+](Cc2cc(OC)ccc2O)CC1 ZINC000133582452 591830595 /nfs/dbraw/zinc/83/05/95/591830595.db2.gz MQKTZFZEIFIFRY-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CCC1CC[NH+](Cc2cccc(OC)c2O)CC1 ZINC000133585100 384301195 /nfs/dbraw/zinc/30/11/95/384301195.db2.gz JTDHTSWMZAWXMX-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C)[C@@H]2C)c1 ZINC000133707357 591849420 /nfs/dbraw/zinc/84/94/20/591849420.db2.gz BCPVVYIENAFOEQ-STQMWFEESA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000133707598 591849575 /nfs/dbraw/zinc/84/95/75/591849575.db2.gz BCPVVYIENAFOEQ-OLZOCXBDSA-N 1 0 233.355 3.321 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1 ZINC000133714803 591849855 /nfs/dbraw/zinc/84/98/55/591849855.db2.gz QXRMLYCESBXIAT-VXGBXAGGSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1 ZINC000133715010 591850411 /nfs/dbraw/zinc/85/04/11/591850411.db2.gz QXRMLYCESBXIAT-NWDGAFQWSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c1O ZINC000133718280 175258528 /nfs/dbraw/zinc/25/85/28/175258528.db2.gz SWJCEDHCGDXWIN-VXGBXAGGSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c1O ZINC000133718452 175259157 /nfs/dbraw/zinc/25/91/57/175259157.db2.gz SWJCEDHCGDXWIN-NWDGAFQWSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1 ZINC000133735189 591851798 /nfs/dbraw/zinc/85/17/98/591851798.db2.gz IEZVTRVOHUDIEL-VXGBXAGGSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)c1O ZINC000133738695 175259703 /nfs/dbraw/zinc/25/97/03/175259703.db2.gz SRJVWTFPWZDEOA-VXGBXAGGSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2CC[C@H](C)C[C@H]2C)c1O ZINC000133738904 175260405 /nfs/dbraw/zinc/26/04/05/175260405.db2.gz SRJVWTFPWZDEOA-NWDGAFQWSA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2Cc3ccccc3C2)c1 ZINC000133775712 384310011 /nfs/dbraw/zinc/31/00/11/384310011.db2.gz KJPZYVLSAWZBGW-UHFFFAOYSA-N 1 0 239.318 3.216 20 10 BGCDRO Cc1cccc(C[NH2+][C@H](C)C(C)(C)C)c1O ZINC000133895551 591868215 /nfs/dbraw/zinc/86/82/15/591868215.db2.gz ILSXYQFKGZLGQB-LLVKDONJSA-N 1 0 221.344 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2CCC(C)(C)CC2)c1 ZINC000133928499 591869797 /nfs/dbraw/zinc/86/97/97/591869797.db2.gz QDIZUUNPNIDGSN-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO COc1ccc(O)c(C[NH+]2CCC(C)(C)CC2)c1 ZINC000133933429 591870786 /nfs/dbraw/zinc/87/07/86/591870786.db2.gz JGKIMHTULCVCNO-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO COc1cccc(C[NH+]2CCC(C)(C)CC2)c1O ZINC000133935935 591869828 /nfs/dbraw/zinc/86/98/28/591869828.db2.gz GPHKSPALYAANMF-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccoc1 ZINC000133968489 591872721 /nfs/dbraw/zinc/87/27/21/591872721.db2.gz VDIUICGXLSYXBE-NSHDSACASA-N 1 0 243.306 3.065 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)c1ccoc1 ZINC000133968684 591872934 /nfs/dbraw/zinc/87/29/34/591872934.db2.gz VDIUICGXLSYXBE-LLVKDONJSA-N 1 0 243.306 3.065 20 10 BGCDRO CCC1(C)CC[NH+](Cc2ccccc2O)CC1 ZINC000133973457 591872455 /nfs/dbraw/zinc/87/24/55/591872455.db2.gz YRORHBQGPMFXCE-UHFFFAOYSA-N 1 0 233.355 3.404 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(C)(C)C ZINC000133986499 591873278 /nfs/dbraw/zinc/87/32/78/591873278.db2.gz IPPOXUNRJQVCSO-WDEREUQCSA-N 1 0 221.344 3.477 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccccc1O ZINC000133986683 591873157 /nfs/dbraw/zinc/87/31/57/591873157.db2.gz IPPOXUNRJQVCSO-GHMZBOCLSA-N 1 0 221.344 3.477 20 10 BGCDRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccccc1O ZINC000134205028 384339955 /nfs/dbraw/zinc/33/99/55/384339955.db2.gz HYIUZXPBYNCACI-VIFPVBQESA-N 1 0 247.260 3.385 20 10 BGCDRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccccc1O ZINC000134205127 384340691 /nfs/dbraw/zinc/34/06/91/384340691.db2.gz HYIUZXPBYNCACI-SECBINFHSA-N 1 0 247.260 3.385 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CCCC2(C)C)c1O ZINC000134209144 591903306 /nfs/dbraw/zinc/90/33/06/591903306.db2.gz BJLPDNOBAXKDKY-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2ccccc2O)cc1F ZINC000134225704 591903115 /nfs/dbraw/zinc/90/31/15/591903115.db2.gz VPXUPECFSYZPLF-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO CCc1ccc(C[NH2+]Cc2ccccc2O)s1 ZINC000134226566 387804613 /nfs/dbraw/zinc/80/46/13/387804613.db2.gz KXZODBOMMKYXKP-UHFFFAOYSA-N 1 0 247.363 3.306 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2ccccc2O)c(C)c1 ZINC000134226702 398242214 /nfs/dbraw/zinc/24/22/14/398242214.db2.gz VQRNNJZGVVHOIS-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000134227438 591903780 /nfs/dbraw/zinc/90/37/80/591903780.db2.gz LPHMCMNFHZFLOD-OLZOCXBDSA-N 1 0 233.355 3.308 20 10 BGCDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000134227460 591903192 /nfs/dbraw/zinc/90/31/92/591903192.db2.gz LPHMCMNFHZFLOD-STQMWFEESA-N 1 0 233.355 3.308 20 10 BGCDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000134227478 591903398 /nfs/dbraw/zinc/90/33/98/591903398.db2.gz LPHMCMNFHZFLOD-CHWSQXEVSA-N 1 0 233.355 3.308 20 10 BGCDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000134227497 591902751 /nfs/dbraw/zinc/90/27/51/591902751.db2.gz LPHMCMNFHZFLOD-QWHCGFSZSA-N 1 0 233.355 3.308 20 10 BGCDRO C[C@H]1CCC[C@H](C)C1[NH2+]Cc1ccccc1O ZINC000134228667 591902935 /nfs/dbraw/zinc/90/29/35/591902935.db2.gz OPWTZZHWIPONNN-RYUDHWBXSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]Cc1ccccc1O ZINC000134228687 591903513 /nfs/dbraw/zinc/90/35/13/591903513.db2.gz OPWTZZHWIPONNN-VXGBXAGGSA-N 1 0 233.355 3.307 20 10 BGCDRO CCc1ccc(C[NH2+]Cc2ccccc2O)cc1 ZINC000134231051 384339723 /nfs/dbraw/zinc/33/97/23/384339723.db2.gz LVPVQIGVFDZJCF-UHFFFAOYSA-N 1 0 241.334 3.244 20 10 BGCDRO Cc1cc(C)cc(C[NH2+]Cc2ccccc2O)c1 ZINC000134235920 188086823 /nfs/dbraw/zinc/08/68/23/188086823.db2.gz DKZCCSHUTVRTKB-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1cc(F)ccc1C[NH2+]Cc1ccccc1O ZINC000134236080 591904580 /nfs/dbraw/zinc/90/45/80/591904580.db2.gz DWRLTEVJEMYJFE-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO Cc1ccc(C)c(C[NH2+]Cc2ccccc2O)c1 ZINC000134237528 398242143 /nfs/dbraw/zinc/24/21/43/398242143.db2.gz FYPCGVDEWBELKQ-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO CCC(CC)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000134446920 591928884 /nfs/dbraw/zinc/92/88/84/591928884.db2.gz YZOOMQQEELJADY-UHFFFAOYSA-N 1 0 233.355 3.147 20 10 BGCDRO CCC1(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000134813714 168481406 /nfs/dbraw/zinc/48/14/06/168481406.db2.gz GAPYOHHTFPJQMK-NSHDSACASA-N 1 0 219.328 3.233 20 10 BGCDRO CCC1(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000134813734 384390654 /nfs/dbraw/zinc/39/06/54/384390654.db2.gz GAPYOHHTFPJQMK-LLVKDONJSA-N 1 0 219.328 3.233 20 10 BGCDRO C[C@H]([NH2+]CC1(C)CCC1)c1ccccc1O ZINC000134813814 384388972 /nfs/dbraw/zinc/38/89/72/384388972.db2.gz UHYQZZMIGVEJBG-NSHDSACASA-N 1 0 219.328 3.233 20 10 BGCDRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccccc1O ZINC000134813832 384389442 /nfs/dbraw/zinc/38/94/42/384389442.db2.gz UHYQZZMIGVEJBG-LLVKDONJSA-N 1 0 219.328 3.233 20 10 BGCDRO COc1ccc(C[NH2+]CCCC2CC2)cc1C ZINC000134868947 591953053 /nfs/dbraw/zinc/95/30/53/591953053.db2.gz JOPMDMDNVCQTQB-UHFFFAOYSA-N 1 0 233.355 3.283 20 10 BGCDRO CCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000134900551 169276018 /nfs/dbraw/zinc/27/60/18/169276018.db2.gz AXWQTEWCBSBMFB-NSHDSACASA-N 1 0 207.317 3.070 20 10 BGCDRO CCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000134900572 169287514 /nfs/dbraw/zinc/28/75/14/169287514.db2.gz AXWQTEWCBSBMFB-LLVKDONJSA-N 1 0 207.317 3.070 20 10 BGCDRO CC(C)C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134901986 591957575 /nfs/dbraw/zinc/95/75/75/591957575.db2.gz IIRBMUFRPZUHCG-VIFPVBQESA-N 1 0 227.735 3.352 20 10 BGCDRO CC(C)C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134902006 591957863 /nfs/dbraw/zinc/95/78/63/591957863.db2.gz IIRBMUFRPZUHCG-SECBINFHSA-N 1 0 227.735 3.352 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)C)c(O)c1C ZINC000134902343 384398075 /nfs/dbraw/zinc/39/80/75/384398075.db2.gz KPAPOIHIBJMALX-GFCCVEGCSA-N 1 0 221.344 3.316 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)C)c(O)c1C ZINC000134902365 384396864 /nfs/dbraw/zinc/39/68/64/384396864.db2.gz KPAPOIHIBJMALX-LBPRGKRZSA-N 1 0 221.344 3.316 20 10 BGCDRO CCCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134902620 591958342 /nfs/dbraw/zinc/95/83/42/591958342.db2.gz PJMHUNMLIUXZJM-VIFPVBQESA-N 1 0 227.735 3.496 20 10 BGCDRO CCCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134902644 591958221 /nfs/dbraw/zinc/95/82/21/591958221.db2.gz PJMHUNMLIUXZJM-SECBINFHSA-N 1 0 227.735 3.496 20 10 BGCDRO CCCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000134902916 591958012 /nfs/dbraw/zinc/95/80/12/591958012.db2.gz YRJXUUQLCQCRIK-LBPRGKRZSA-N 1 0 221.344 3.460 20 10 BGCDRO CCCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000134902933 591957877 /nfs/dbraw/zinc/95/78/77/591957877.db2.gz YRJXUUQLCQCRIK-GFCCVEGCSA-N 1 0 221.344 3.460 20 10 BGCDRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134906529 388480544 /nfs/dbraw/zinc/48/05/44/388480544.db2.gz LBQBXSRTRZHWAF-BDAKNGLRSA-N 1 0 227.735 3.495 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134906551 171345869 /nfs/dbraw/zinc/34/58/69/171345869.db2.gz LBQBXSRTRZHWAF-IUCAKERBSA-N 1 0 227.735 3.495 20 10 BGCDRO CC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134906567 388480311 /nfs/dbraw/zinc/48/03/11/388480311.db2.gz LBQBXSRTRZHWAF-RKDXNWHRSA-N 1 0 227.735 3.495 20 10 BGCDRO CC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134906587 171348087 /nfs/dbraw/zinc/34/80/87/171348087.db2.gz LBQBXSRTRZHWAF-DTWKUNHWSA-N 1 0 227.735 3.495 20 10 BGCDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000134907135 384398704 /nfs/dbraw/zinc/39/87/04/384398704.db2.gz DSFNTKZNXPSCIV-PWSUYJOCSA-N 1 0 221.344 3.458 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000134907157 171346300 /nfs/dbraw/zinc/34/63/00/171346300.db2.gz DSFNTKZNXPSCIV-JQWIXIFHSA-N 1 0 221.344 3.458 20 10 BGCDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000134907177 384398620 /nfs/dbraw/zinc/39/86/20/384398620.db2.gz DSFNTKZNXPSCIV-ZYHUDNBSSA-N 1 0 221.344 3.458 20 10 BGCDRO CC[C@H](C)[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000134907194 171348286 /nfs/dbraw/zinc/34/82/86/171348286.db2.gz DSFNTKZNXPSCIV-CMPLNLGQSA-N 1 0 221.344 3.458 20 10 BGCDRO CSCC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000134907759 584955213 /nfs/dbraw/zinc/95/52/13/584955213.db2.gz UIHJLNHIMYTBEZ-QMMMGPOBSA-N 1 0 245.775 3.059 20 10 BGCDRO CSCC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000134907779 584955163 /nfs/dbraw/zinc/95/51/63/584955163.db2.gz UIHJLNHIMYTBEZ-MRVPVSSYSA-N 1 0 245.775 3.059 20 10 BGCDRO CSCC[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000134908131 591958150 /nfs/dbraw/zinc/95/81/50/591958150.db2.gz KWROEYTWQFATHI-LLVKDONJSA-N 1 0 239.384 3.023 20 10 BGCDRO CSCC[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000134908155 591958438 /nfs/dbraw/zinc/95/84/38/591958438.db2.gz KWROEYTWQFATHI-NSHDSACASA-N 1 0 239.384 3.023 20 10 BGCDRO Cc1cnc([C@@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000134910468 387811335 /nfs/dbraw/zinc/81/13/35/387811335.db2.gz ZFEDBDXJAUZPQJ-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cnc([C@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000134910491 387812751 /nfs/dbraw/zinc/81/27/51/387812751.db2.gz ZFEDBDXJAUZPQJ-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1cc(Cl)ccc1O ZINC000134911419 384397345 /nfs/dbraw/zinc/39/73/45/384397345.db2.gz YSZXLIGCZVRYPA-IUCAKERBSA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1cc(Cl)ccc1O ZINC000134911441 384398381 /nfs/dbraw/zinc/39/83/81/384398381.db2.gz YSZXLIGCZVRYPA-DTWKUNHWSA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1O)C1CC1 ZINC000134911459 384398056 /nfs/dbraw/zinc/39/80/56/384398056.db2.gz YSZXLIGCZVRYPA-BDAKNGLRSA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1cc(Cl)ccc1O ZINC000134911478 384397744 /nfs/dbraw/zinc/39/77/44/384397744.db2.gz YSZXLIGCZVRYPA-RKDXNWHRSA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@H]([NH2+]CC1CC1)c1cc(Cl)ccc1O ZINC000134911994 388481915 /nfs/dbraw/zinc/48/19/15/388481915.db2.gz IUEZQMIGAUYEIK-QMMMGPOBSA-N 1 0 225.719 3.106 20 10 BGCDRO C[C@@H]([NH2+]CC1CC1)c1cc(Cl)ccc1O ZINC000134912015 388481367 /nfs/dbraw/zinc/48/13/67/388481367.db2.gz IUEZQMIGAUYEIK-MRVPVSSYSA-N 1 0 225.719 3.106 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CC2)c(O)c1C ZINC000134912403 591959270 /nfs/dbraw/zinc/95/92/70/591959270.db2.gz HHVHTICKMFEJFI-LLVKDONJSA-N 1 0 219.328 3.070 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC2CC2)c(O)c1C ZINC000134912423 591958783 /nfs/dbraw/zinc/95/87/83/591958783.db2.gz HHVHTICKMFEJFI-NSHDSACASA-N 1 0 219.328 3.070 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cc(Cl)ccc1O ZINC000134915271 591959234 /nfs/dbraw/zinc/95/92/34/591959234.db2.gz PSNLRVGJFYCGST-KXUCPTDWSA-N 1 0 239.746 3.352 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cc(Cl)ccc1O ZINC000134915292 591959308 /nfs/dbraw/zinc/95/93/08/591959308.db2.gz PSNLRVGJFYCGST-LPEHRKFASA-N 1 0 239.746 3.352 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cc(Cl)ccc1O ZINC000134915312 591959113 /nfs/dbraw/zinc/95/91/13/591959113.db2.gz PSNLRVGJFYCGST-UTLUCORTSA-N 1 0 239.746 3.352 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cc(Cl)ccc1O ZINC000134915330 591958904 /nfs/dbraw/zinc/95/89/04/591958904.db2.gz PSNLRVGJFYCGST-GUBZILKMSA-N 1 0 239.746 3.352 20 10 BGCDRO C[C@H]([NH2+]CC1CCC1)c1cc(Cl)ccc1O ZINC000134915676 591958668 /nfs/dbraw/zinc/95/86/68/591958668.db2.gz YAOHINBMXPNCGF-VIFPVBQESA-N 1 0 239.746 3.496 20 10 BGCDRO C[C@@H]([NH2+]CC1CCC1)c1cc(Cl)ccc1O ZINC000134915697 591958694 /nfs/dbraw/zinc/95/86/94/591958694.db2.gz YAOHINBMXPNCGF-SECBINFHSA-N 1 0 239.746 3.496 20 10 BGCDRO C[C@H]([NH2+]C1CC=CC1)c1cc(Cl)ccc1O ZINC000134929534 591962458 /nfs/dbraw/zinc/96/24/58/591962458.db2.gz VVEIQXVYZOIPBO-VIFPVBQESA-N 1 0 237.730 3.415 20 10 BGCDRO C[C@@H]([NH2+]C1CC=CC1)c1cc(Cl)ccc1O ZINC000134929555 591962010 /nfs/dbraw/zinc/96/20/10/591962010.db2.gz VVEIQXVYZOIPBO-SECBINFHSA-N 1 0 237.730 3.415 20 10 BGCDRO C[C@H]([NH2+]CCC1CC1)c1cc(Cl)ccc1O ZINC000134933942 591962260 /nfs/dbraw/zinc/96/22/60/591962260.db2.gz NQSLZVPAYZBGAM-VIFPVBQESA-N 1 0 239.746 3.496 20 10 BGCDRO C[C@@H]([NH2+]CCC1CC1)c1cc(Cl)ccc1O ZINC000134933959 591962103 /nfs/dbraw/zinc/96/21/03/591962103.db2.gz NQSLZVPAYZBGAM-SECBINFHSA-N 1 0 239.746 3.496 20 10 BGCDRO C[C@H]([NH2+]C1CC(C)C1)c1cc(Cl)ccc1O ZINC000134934223 591962004 /nfs/dbraw/zinc/96/20/04/591962004.db2.gz UAZTXNZIFVBQDN-YUCVTWSNSA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@@H]([NH2+]C1CC(C)C1)c1cc(Cl)ccc1O ZINC000134934244 591961804 /nfs/dbraw/zinc/96/18/04/591961804.db2.gz UAZTXNZIFVBQDN-INWMGODYSA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@H]([NH2+]CCCF)c1cc(Cl)ccc1O ZINC000134935625 591962241 /nfs/dbraw/zinc/96/22/41/591962241.db2.gz GENSBNCTDBKSSG-QMMMGPOBSA-N 1 0 231.698 3.056 20 10 BGCDRO C[C@@H]([NH2+]CCCF)c1cc(Cl)ccc1O ZINC000134935645 591962117 /nfs/dbraw/zinc/96/21/17/591962117.db2.gz GENSBNCTDBKSSG-MRVPVSSYSA-N 1 0 231.698 3.056 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCCF)c(O)c1C ZINC000134936150 591961689 /nfs/dbraw/zinc/96/16/89/591961689.db2.gz YTISWJYXWITBGE-LLVKDONJSA-N 1 0 225.307 3.019 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCCF)c(O)c1C ZINC000134936169 591962469 /nfs/dbraw/zinc/96/24/69/591962469.db2.gz YTISWJYXWITBGE-NSHDSACASA-N 1 0 225.307 3.019 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)cc1C ZINC000135171296 591994823 /nfs/dbraw/zinc/99/48/23/591994823.db2.gz FFWZTUOEQDGWSX-SMDDNHRTSA-N 1 0 233.355 3.282 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)cc1C ZINC000135171316 591994765 /nfs/dbraw/zinc/99/47/65/591994765.db2.gz FFWZTUOEQDGWSX-FZMZJTMJSA-N 1 0 233.355 3.282 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1C ZINC000135171335 591994654 /nfs/dbraw/zinc/99/46/54/591994654.db2.gz FFWZTUOEQDGWSX-BXUZGUMPSA-N 1 0 233.355 3.282 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)cc1C ZINC000135171352 645878185 /nfs/dbraw/zinc/87/81/85/645878185.db2.gz FFWZTUOEQDGWSX-RISCZKNCSA-N 1 0 233.355 3.282 20 10 BGCDRO Cc1cc(C[NH2+]Cc2ccccc2O)c(C)s1 ZINC000135192554 591995115 /nfs/dbraw/zinc/99/51/15/591995115.db2.gz NFNNXPXCSOSTCF-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000135201333 591997192 /nfs/dbraw/zinc/99/71/92/591997192.db2.gz SSTFCLBPZJJBCH-DZGCQCFKSA-N 1 0 245.366 3.451 20 10 BGCDRO Oc1ccccc1C[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000135201351 591997260 /nfs/dbraw/zinc/99/72/60/591997260.db2.gz SSTFCLBPZJJBCH-ZFWWWQNUSA-N 1 0 245.366 3.451 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000135201372 591996960 /nfs/dbraw/zinc/99/69/60/591996960.db2.gz SSTFCLBPZJJBCH-UKRRQHHQSA-N 1 0 245.366 3.451 20 10 BGCDRO Oc1ccccc1C[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000135201392 591996874 /nfs/dbraw/zinc/99/68/74/591996874.db2.gz SSTFCLBPZJJBCH-HIFRSBDPSA-N 1 0 245.366 3.451 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+]C2CC(C)C2)cc1 ZINC000135563924 592017908 /nfs/dbraw/zinc/01/79/08/592017908.db2.gz MWNZSWYEMCCICI-UHFFFAOYSA-N 1 0 246.398 3.421 20 10 BGCDRO CCOc1cccc(C[NH2+]C2(CC)CCC2)c1O ZINC000135620827 170577620 /nfs/dbraw/zinc/57/76/20/170577620.db2.gz SONGDFNOTWSXLE-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO CCC1([NH2+]Cc2ccc(N(C)C)cc2)CCC1 ZINC000135622462 592026606 /nfs/dbraw/zinc/02/66/06/592026606.db2.gz NTGDVIXDRHCYDF-UHFFFAOYSA-N 1 0 232.371 3.175 20 10 BGCDRO CCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1 ZINC000135623848 592026693 /nfs/dbraw/zinc/02/66/93/592026693.db2.gz ULXPKFSKZVZKGT-UHFFFAOYSA-N 1 0 233.355 3.426 20 10 BGCDRO CCC1([NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000135624510 592026417 /nfs/dbraw/zinc/02/64/17/592026417.db2.gz BDJLJXCPQHZXFA-UHFFFAOYSA-N 1 0 231.339 3.044 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C(C)C)C2)c1 ZINC000135649296 592030143 /nfs/dbraw/zinc/03/01/43/592030143.db2.gz HQDWXPUTNPYHQX-ZDUSSCGKSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000135649324 592030584 /nfs/dbraw/zinc/03/05/84/592030584.db2.gz HQDWXPUTNPYHQX-CYBMUJFWSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1cccc(C[N@H+]2CC[C@H](C(C)C)C2)c1O ZINC000135749611 592044595 /nfs/dbraw/zinc/04/45/95/592044595.db2.gz FQEHPGXFFQBZOR-ZDUSSCGKSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1cccc(C[N@H+]2CC[C@@H](C(C)C)C2)c1O ZINC000135749660 592044715 /nfs/dbraw/zinc/04/47/15/592044715.db2.gz FQEHPGXFFQBZOR-CYBMUJFWSA-N 1 0 233.355 3.179 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H](C)SC)c1ccccc1O ZINC000136166280 384484997 /nfs/dbraw/zinc/48/49/97/384484997.db2.gz CTUFAMSGGQLWJC-PWSUYJOCSA-N 1 0 239.384 3.184 20 10 BGCDRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1ccccc1O ZINC000136166311 384484677 /nfs/dbraw/zinc/48/46/77/384484677.db2.gz CTUFAMSGGQLWJC-ZYHUDNBSSA-N 1 0 239.384 3.184 20 10 BGCDRO CC[C@H]([NH2+]C[C@H](C)SC)c1ccccc1O ZINC000136166353 384483890 /nfs/dbraw/zinc/48/38/90/384483890.db2.gz CTUFAMSGGQLWJC-JQWIXIFHSA-N 1 0 239.384 3.184 20 10 BGCDRO CC[C@@H]([NH2+]C[C@H](C)SC)c1ccccc1O ZINC000136166393 345483942 /nfs/dbraw/zinc/48/39/42/345483942.db2.gz CTUFAMSGGQLWJC-CMPLNLGQSA-N 1 0 239.384 3.184 20 10 BGCDRO C[C@@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000136403160 592117432 /nfs/dbraw/zinc/11/74/32/592117432.db2.gz GWIFZMGXHUDQHK-VIFPVBQESA-N 1 0 239.746 3.181 20 10 BGCDRO C[C@H](C[NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000136403204 592116877 /nfs/dbraw/zinc/11/68/77/592116877.db2.gz GWIFZMGXHUDQHK-SECBINFHSA-N 1 0 239.746 3.181 20 10 BGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(C)ccc1O ZINC000136819921 592151110 /nfs/dbraw/zinc/15/11/10/592151110.db2.gz KRTANTMGGRFFSF-GXTWGEPZSA-N 1 0 233.355 3.464 20 10 BGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(C)ccc1O ZINC000136819964 592151591 /nfs/dbraw/zinc/15/15/91/592151591.db2.gz KRTANTMGGRFFSF-JSGCOSHPSA-N 1 0 233.355 3.464 20 10 BGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C)ccc1O ZINC000136820005 632557719 /nfs/dbraw/zinc/55/77/19/632557719.db2.gz KRTANTMGGRFFSF-TZMCWYRMSA-N 1 0 233.355 3.464 20 10 BGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(C)ccc1O ZINC000136820059 592151403 /nfs/dbraw/zinc/15/14/03/592151403.db2.gz KRTANTMGGRFFSF-OCCSQVGLSA-N 1 0 233.355 3.464 20 10 BGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1O ZINC000136821191 171053295 /nfs/dbraw/zinc/05/32/95/171053295.db2.gz JBUUDKNKWCHLPS-WCQYABFASA-N 1 0 219.328 3.155 20 10 BGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccccc1O ZINC000136821249 384510743 /nfs/dbraw/zinc/51/07/43/384510743.db2.gz JBUUDKNKWCHLPS-AAEUAGOBSA-N 1 0 219.328 3.155 20 10 BGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1O ZINC000136821290 171038552 /nfs/dbraw/zinc/03/85/52/171038552.db2.gz JBUUDKNKWCHLPS-DGCLKSJQSA-N 1 0 219.328 3.155 20 10 BGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccccc1O ZINC000136821340 384510324 /nfs/dbraw/zinc/51/03/24/384510324.db2.gz JBUUDKNKWCHLPS-YPMHNXCESA-N 1 0 219.328 3.155 20 10 BGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(OC)c1O ZINC000136822777 171055251 /nfs/dbraw/zinc/05/52/51/171055251.db2.gz CQEQWJYCDFRPKA-WCQYABFASA-N 1 0 249.354 3.164 20 10 BGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(OC)c1O ZINC000136822826 384509880 /nfs/dbraw/zinc/50/98/80/384509880.db2.gz CQEQWJYCDFRPKA-AAEUAGOBSA-N 1 0 249.354 3.164 20 10 BGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(OC)c1O ZINC000136822874 171037957 /nfs/dbraw/zinc/03/79/57/171037957.db2.gz CQEQWJYCDFRPKA-DGCLKSJQSA-N 1 0 249.354 3.164 20 10 BGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(OC)c1O ZINC000136822927 384508849 /nfs/dbraw/zinc/50/88/49/384508849.db2.gz CQEQWJYCDFRPKA-YPMHNXCESA-N 1 0 249.354 3.164 20 10 BGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(OC)ccc1O ZINC000136823918 592151836 /nfs/dbraw/zinc/15/18/36/592151836.db2.gz RLXJFYUXQOSBNM-WCQYABFASA-N 1 0 249.354 3.164 20 10 BGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(OC)ccc1O ZINC000136823965 592151381 /nfs/dbraw/zinc/15/13/81/592151381.db2.gz RLXJFYUXQOSBNM-AAEUAGOBSA-N 1 0 249.354 3.164 20 10 BGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(OC)ccc1O ZINC000136824021 592151827 /nfs/dbraw/zinc/15/18/27/592151827.db2.gz RLXJFYUXQOSBNM-DGCLKSJQSA-N 1 0 249.354 3.164 20 10 BGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(OC)ccc1O ZINC000136824068 592151462 /nfs/dbraw/zinc/15/14/62/592151462.db2.gz RLXJFYUXQOSBNM-YPMHNXCESA-N 1 0 249.354 3.164 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCc2sccc2C1 ZINC000138548527 183301380 /nfs/dbraw/zinc/30/13/80/183301380.db2.gz UVMIHYGDCXLPJP-UHFFFAOYSA-N 1 0 245.347 3.012 20 10 BGCDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2cc(F)ccc2O)C1 ZINC000139746259 592431369 /nfs/dbraw/zinc/43/13/69/592431369.db2.gz AGNFKCYXSBYCJP-PHIMTYICSA-N 1 0 237.318 3.009 20 10 BGCDRO C[C@H]1C[C@H](C)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000139746401 592431386 /nfs/dbraw/zinc/43/13/86/592431386.db2.gz AGNFKCYXSBYCJP-QWRGUYRKSA-N 1 0 237.318 3.009 20 10 BGCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000139746522 592431614 /nfs/dbraw/zinc/43/16/14/592431614.db2.gz AGNFKCYXSBYCJP-GHMZBOCLSA-N 1 0 237.318 3.009 20 10 BGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC000150930014 640186455 /nfs/dbraw/zinc/18/64/55/640186455.db2.gz ZTSMTCIRMZAHER-CYBMUJFWSA-N 1 0 234.387 3.449 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC000150930056 640186060 /nfs/dbraw/zinc/18/60/60/640186060.db2.gz ZTSMTCIRMZAHER-ZDUSSCGKSA-N 1 0 234.387 3.449 20 10 BGCDRO CC[C@H]([NH2+]CC(C)C)c1ccc(N(C)C)cc1 ZINC000150947641 640228775 /nfs/dbraw/zinc/22/87/75/640228775.db2.gz UXWQLUKJHQWGGU-HNNXBMFYSA-N 1 0 234.387 3.449 20 10 BGCDRO CC[C@@H]([NH2+]CC(C)C)c1ccc(N(C)C)cc1 ZINC000150947678 640230673 /nfs/dbraw/zinc/23/06/73/640230673.db2.gz UXWQLUKJHQWGGU-OAHLLOKOSA-N 1 0 234.387 3.449 20 10 BGCDRO CCCC1(C[NH2+]Cc2ccccc2O)CC1 ZINC000151547957 711844213 /nfs/dbraw/zinc/84/42/13/711844213.db2.gz NYILTSJKEDNSTL-UHFFFAOYSA-N 1 0 219.328 3.062 20 10 BGCDRO CCCC1(C[NH2+]Cc2cccc(OC)c2O)CC1 ZINC000151593576 384595749 /nfs/dbraw/zinc/59/57/49/384595749.db2.gz ZQPRGQCBULHRFT-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO CCC1(C[NH2+]Cc2ccccc2O)CCCC1 ZINC000152246515 641538625 /nfs/dbraw/zinc/53/86/25/641538625.db2.gz OMZPTEJJZCUABP-UHFFFAOYSA-N 1 0 233.355 3.452 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CCC2CCC2)cc1C ZINC000153528539 641811427 /nfs/dbraw/zinc/81/14/27/641811427.db2.gz LZYRQXPPWGJCMN-UHFFFAOYSA-N 1 0 233.355 3.289 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+]CCC2CCC2)c1 ZINC000153549485 641818484 /nfs/dbraw/zinc/81/84/84/641818484.db2.gz BGUCDMMFDBGXIW-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO C[N@H+](Cc1ccc(N2CCCCC2)cc1)C1CC1 ZINC000153756026 385278436 /nfs/dbraw/zinc/27/84/36/385278436.db2.gz CZUQFFBLTZIULR-UHFFFAOYSA-N 1 0 244.382 3.271 20 10 BGCDRO CCN(CC)c1ccc(C[N@H+](C)C2CC2)cc1 ZINC000153796290 641891429 /nfs/dbraw/zinc/89/14/29/641891429.db2.gz TXVVDIUUPGPIHQ-UHFFFAOYSA-N 1 0 232.371 3.127 20 10 BGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2ccccc2)c1 ZINC000154465478 642097303 /nfs/dbraw/zinc/09/73/03/642097303.db2.gz NWNMSFOMCRQNRS-UHFFFAOYSA-N 1 0 241.334 3.333 20 10 BGCDRO CC[C@@H](C)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000154561449 642138204 /nfs/dbraw/zinc/13/82/04/642138204.db2.gz IIDYZHLDZUPMCI-GFCCVEGCSA-N 1 0 221.344 3.239 20 10 BGCDRO CC[C@H](C)[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000154561558 642140851 /nfs/dbraw/zinc/14/08/51/642140851.db2.gz IIDYZHLDZUPMCI-LBPRGKRZSA-N 1 0 221.344 3.239 20 10 BGCDRO CCC[N@@H+](Cc1cccc(OC)c1O)CC1CC1 ZINC000154683029 169177982 /nfs/dbraw/zinc/17/79/82/169177982.db2.gz HTLBSWGJNPLVOY-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CCC[N@@H+](Cc1cc(C)ccc1O)CC1CC1 ZINC000154688150 642181154 /nfs/dbraw/zinc/18/11/54/642181154.db2.gz IPBPLWLBUQFGMF-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)C)cc1 ZINC000155181337 642435475 /nfs/dbraw/zinc/43/54/75/642435475.db2.gz JRRBIWLCIISTOU-UHFFFAOYSA-N 1 0 234.387 3.231 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC000155416046 641569148 /nfs/dbraw/zinc/56/91/48/641569148.db2.gz CNBQIZVXCMGNFT-AWEZNQCLSA-N 1 0 233.355 3.282 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)c(C)c1)C1CC1 ZINC000155416148 641568781 /nfs/dbraw/zinc/56/87/81/641568781.db2.gz CNBQIZVXCMGNFT-CQSZACIVSA-N 1 0 233.355 3.282 20 10 BGCDRO Cc1ccc(O)c(C[N@H+](C)CC2CCCC2)c1 ZINC000156023424 641591598 /nfs/dbraw/zinc/59/15/98/641591598.db2.gz JQQWLOPYRIEMJE-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO COc1ccc(O)c(C[N@H+](C)CC2CCCC2)c1 ZINC000156023655 175157381 /nfs/dbraw/zinc/15/73/81/175157381.db2.gz LTFNSYXSPRJLET-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO COc1cccc(C[N@H+](C)CC2CCCC2)c1O ZINC000156023770 175254829 /nfs/dbraw/zinc/25/48/29/175254829.db2.gz QUZUOVIVTFPAEF-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC(C)(C)C2)c1 ZINC000156035676 711820160 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COc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1O ZINC000156056003 175260109 /nfs/dbraw/zinc/26/01/09/175260109.db2.gz PVQRDPZMQDJPKV-NWDGAFQWSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CCC(C)(C)C2)c1O ZINC000156091386 385436277 /nfs/dbraw/zinc/43/62/77/385436277.db2.gz BNQXLMYXQSNXRN-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000156099686 641592310 /nfs/dbraw/zinc/59/23/10/641592310.db2.gz PTFAFJFXODOQJT-ZFWWWQNUSA-N 1 0 245.366 3.465 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000156100188 641593099 /nfs/dbraw/zinc/59/30/99/641593099.db2.gz GSOBDZCPXMUZFL-JSGCOSHPSA-N 1 0 231.339 3.157 20 10 BGCDRO CCOc1ccc(O)c(C[NH+]2CCCCCC2)c1 ZINC000157384624 641619288 /nfs/dbraw/zinc/61/92/88/641619288.db2.gz BQCYULBDRBRLJE-UHFFFAOYSA-N 1 0 249.354 3.167 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000157707966 640727998 /nfs/dbraw/zinc/72/79/98/640727998.db2.gz XWTGJLSABQEMLE-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000157708107 640727936 /nfs/dbraw/zinc/72/79/36/640727936.db2.gz XWTGJLSABQEMLE-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@H]([NH2+]CC1(OC)CCC1)c1ccccc1O ZINC000157908676 640771315 /nfs/dbraw/zinc/77/13/15/640771315.db2.gz DRHIAFXIEUXBKH-ZDUSSCGKSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@@H]([NH2+]CC1(OC)CCC1)c1ccccc1O ZINC000157908821 640770882 /nfs/dbraw/zinc/77/08/82/640770882.db2.gz DRHIAFXIEUXBKH-CYBMUJFWSA-N 1 0 249.354 3.002 20 10 BGCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)C2CC2)c1O ZINC000158057473 385545921 /nfs/dbraw/zinc/54/59/21/385545921.db2.gz GNXRVMGKMRTDPF-NSHDSACASA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1cccc(C[N@H+](C)[C@H](C)C2CC2)c1O ZINC000158057639 385545622 /nfs/dbraw/zinc/54/56/22/385545622.db2.gz GNXRVMGKMRTDPF-LLVKDONJSA-N 1 0 249.354 3.021 20 10 BGCDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000158058400 711831535 /nfs/dbraw/zinc/83/15/35/711831535.db2.gz CAGLTCCQFAYSPL-VIFPVBQESA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@H](C1CC1)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000158058543 711831653 /nfs/dbraw/zinc/83/16/53/711831653.db2.gz CAGLTCCQFAYSPL-SECBINFHSA-N 1 0 239.746 3.276 20 10 BGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000158099413 385549398 /nfs/dbraw/zinc/54/93/98/385549398.db2.gz MDRJRQQZAJDJTM-NSHDSACASA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)C2CC2)c1 ZINC000158099563 385549359 /nfs/dbraw/zinc/54/93/59/385549359.db2.gz MDRJRQQZAJDJTM-LLVKDONJSA-N 1 0 249.354 3.021 20 10 BGCDRO CCCC[N@H+](C)Cc1cc(OCC)ccc1O ZINC000158168087 385551958 /nfs/dbraw/zinc/55/19/58/385551958.db2.gz YHKTXVHUCZIUJY-UHFFFAOYSA-N 1 0 237.343 3.023 20 10 BGCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)C(C)C ZINC000158502750 641638283 /nfs/dbraw/zinc/63/82/83/641638283.db2.gz MOJZWAQPXYDXAC-UHFFFAOYSA-N 1 0 221.344 3.239 20 10 BGCDRO Cc1cccc(C[NH2+]C2C(C)(C)C2(C)C)c1O ZINC000158806990 641653058 /nfs/dbraw/zinc/65/30/58/641653058.db2.gz PNNOCYWSUMWJHO-UHFFFAOYSA-N 1 0 233.355 3.225 20 10 BGCDRO Cc1cscc1C[NH2+]Cc1cccc(C)c1O ZINC000158811092 632488264 /nfs/dbraw/zinc/48/82/64/632488264.db2.gz HGPLEPQIIOBGNW-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO CCOc1ccc(O)c(C[NH+]2CCC(C)CC2)c1 ZINC000158864553 641654849 /nfs/dbraw/zinc/65/48/49/641654849.db2.gz TVHICFGHKDKWIK-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC1(C)CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000158900177 641656577 /nfs/dbraw/zinc/65/65/77/641656577.db2.gz UACWWPUPVWHIJU-ZDUSSCGKSA-N 1 0 233.355 3.451 20 10 BGCDRO CC1(C)CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000158900287 641656146 /nfs/dbraw/zinc/65/61/46/641656146.db2.gz UACWWPUPVWHIJU-CYBMUJFWSA-N 1 0 233.355 3.451 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C)c1 ZINC000158945295 712722368 /nfs/dbraw/zinc/72/23/68/712722368.db2.gz XSBHVULEKDPMIW-LBPRGKRZSA-N 1 0 249.354 3.165 20 10 BGCDRO CC[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000159194975 712723008 /nfs/dbraw/zinc/72/30/08/712723008.db2.gz CZJSFTHHJGVNIN-SNVBAGLBSA-N 1 0 239.746 3.278 20 10 BGCDRO CC[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000159195145 712722976 /nfs/dbraw/zinc/72/29/76/712722976.db2.gz CZJSFTHHJGVNIN-JTQLQIEISA-N 1 0 239.746 3.278 20 10 BGCDRO COc1cc(C[N@H+](C(C)C)C2CC2)c(O)cc1C ZINC000159757087 641698889 /nfs/dbraw/zinc/69/88/89/641698889.db2.gz UMJCTZRGOYIIAT-UHFFFAOYSA-N 1 0 249.354 3.082 20 10 BGCDRO C[N@@H+](Cc1cc2c(cc1O)CCCC2)CC1CC1 ZINC000159895584 641704156 /nfs/dbraw/zinc/70/41/56/641704156.db2.gz KKRBFNXRYANXDW-UHFFFAOYSA-N 1 0 245.366 3.113 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000159968198 384375465 /nfs/dbraw/zinc/37/54/65/384375465.db2.gz QEPJFOFPOZVGNM-NWDGAFQWSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000159968312 384375934 /nfs/dbraw/zinc/37/59/34/384375934.db2.gz QEPJFOFPOZVGNM-VXGBXAGGSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000159968459 384375396 /nfs/dbraw/zinc/37/53/96/384375396.db2.gz QEPJFOFPOZVGNM-RYUDHWBXSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1O ZINC000159968602 384374479 /nfs/dbraw/zinc/37/44/79/384374479.db2.gz QEPJFOFPOZVGNM-NEPJUHHUSA-N 1 0 249.354 3.000 20 10 BGCDRO COc1ccc(C[NH2+]C2(C)CCC2)cc1C ZINC000160000153 175105259 /nfs/dbraw/zinc/10/52/59/175105259.db2.gz KTEOBFVKZMPTNK-UHFFFAOYSA-N 1 0 219.328 3.036 20 10 BGCDRO CC1([NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000160012448 711805486 /nfs/dbraw/zinc/80/54/86/711805486.db2.gz XMFCJWCEMHNKIN-UHFFFAOYSA-N 1 0 225.719 3.078 20 10 BGCDRO CCC[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000160029132 641711180 /nfs/dbraw/zinc/71/11/80/641711180.db2.gz SKWMFFKTWWAZRY-UHFFFAOYSA-N 1 0 233.355 3.113 20 10 BGCDRO CCC[N@H+](Cc1cc(OC)c(C)cc1O)C1CC1 ZINC000160142590 643070656 /nfs/dbraw/zinc/07/06/56/643070656.db2.gz URWVPYPTLUNKHR-UHFFFAOYSA-N 1 0 249.354 3.084 20 10 BGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C)c1O ZINC000160256267 711806220 /nfs/dbraw/zinc/80/62/20/711806220.db2.gz QOALTUWTLFGURD-GXTWGEPZSA-N 1 0 233.355 3.464 20 10 BGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cccc(C)c1O ZINC000160256398 711806289 /nfs/dbraw/zinc/80/62/89/711806289.db2.gz QOALTUWTLFGURD-JSGCOSHPSA-N 1 0 233.355 3.464 20 10 BGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C)c1O ZINC000160256525 711806076 /nfs/dbraw/zinc/80/60/76/711806076.db2.gz QOALTUWTLFGURD-TZMCWYRMSA-N 1 0 233.355 3.464 20 10 BGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cccc(C)c1O ZINC000160256648 711806207 /nfs/dbraw/zinc/80/62/07/711806207.db2.gz QOALTUWTLFGURD-OCCSQVGLSA-N 1 0 233.355 3.464 20 10 BGCDRO C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000160322739 643475878 /nfs/dbraw/zinc/47/58/78/643475878.db2.gz UUAXMNBMQLAVAE-GFCCVEGCSA-N 1 0 245.366 3.255 20 10 BGCDRO C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000160322856 643475019 /nfs/dbraw/zinc/47/50/19/643475019.db2.gz UUAXMNBMQLAVAE-LBPRGKRZSA-N 1 0 245.366 3.255 20 10 BGCDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000160559871 643684922 /nfs/dbraw/zinc/68/49/22/643684922.db2.gz VRKBWMFLITYJQZ-INIZCTEOSA-N 1 0 246.398 3.277 20 10 BGCDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C1CC1 ZINC000160559988 643684667 /nfs/dbraw/zinc/68/46/67/643684667.db2.gz VRKBWMFLITYJQZ-MRXNPFEDSA-N 1 0 246.398 3.277 20 10 BGCDRO Cc1ccc(C[N@@H+](C)Cc2cc(C)ccc2O)o1 ZINC000160869657 384444001 /nfs/dbraw/zinc/44/40/01/384444001.db2.gz JCIILOQGYYGGJO-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161295445 711811397 /nfs/dbraw/zinc/81/13/97/711811397.db2.gz QSWPWRPYVUZXTD-ZJUUUORDSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161295576 711589864 /nfs/dbraw/zinc/58/98/64/711589864.db2.gz QSWPWRPYVUZXTD-UWVGGRQHSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000161295696 711811434 /nfs/dbraw/zinc/81/14/34/711811434.db2.gz QSWPWRPYVUZXTD-NXEZZACHSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)ccc1O ZINC000161295830 711811487 /nfs/dbraw/zinc/81/14/87/711811487.db2.gz QSWPWRPYVUZXTD-VHSXEESVSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@@H]1C[C@H](C)[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000161296882 711811258 /nfs/dbraw/zinc/81/12/58/711811258.db2.gz QQMULLMEWYOSGM-ZJUUUORDSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@H]1C[C@H](C)[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000161296982 711811421 /nfs/dbraw/zinc/81/14/21/711811421.db2.gz QQMULLMEWYOSGM-UWVGGRQHSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000161297096 711811272 /nfs/dbraw/zinc/81/12/72/711811272.db2.gz QQMULLMEWYOSGM-NXEZZACHSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1c(O)cccc1Cl ZINC000161297171 711811538 /nfs/dbraw/zinc/81/15/38/711811538.db2.gz QQMULLMEWYOSGM-VHSXEESVSA-N 1 0 239.746 3.276 20 10 BGCDRO Cc1cc(O)c(C[N@H+](C)Cc2ccco2)cc1C ZINC000162152412 178194557 /nfs/dbraw/zinc/19/45/57/178194557.db2.gz OSDHFGVYZAQEFY-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO C[C@H]([NH2+]CCC(C)(C)C)c1ccccc1O ZINC000162199002 633022932 /nfs/dbraw/zinc/02/29/32/633022932.db2.gz HSUZRACXWUPKBR-NSHDSACASA-N 1 0 221.344 3.479 20 10 BGCDRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1O ZINC000162199103 633023745 /nfs/dbraw/zinc/02/37/45/633023745.db2.gz HSUZRACXWUPKBR-LLVKDONJSA-N 1 0 221.344 3.479 20 10 BGCDRO CCC(CC)C[NH2+]Cc1cccc(C)c1O ZINC000162515497 633031659 /nfs/dbraw/zinc/03/16/59/633031659.db2.gz XFZDXSZBPKEUKN-UHFFFAOYSA-N 1 0 221.344 3.226 20 10 BGCDRO Cc1cccc(C[NH+]2CCCCCC2)c1O ZINC000162547627 179073920 /nfs/dbraw/zinc/07/39/20/179073920.db2.gz HNEMMRLUDYAUPT-UHFFFAOYSA-N 1 0 219.328 3.077 20 10 BGCDRO CCCC(C)(C)[NH2+]Cc1cccc(C)c1O ZINC000162610221 634225971 /nfs/dbraw/zinc/22/59/71/634225971.db2.gz SHTCDHZYOGWIFG-UHFFFAOYSA-N 1 0 221.344 3.369 20 10 BGCDRO CCC1([NH2+]Cc2cccc(C)c2O)CCC1 ZINC000162687329 384667401 /nfs/dbraw/zinc/66/74/01/384667401.db2.gz JBWCFYJSOKMYDM-UHFFFAOYSA-N 1 0 219.328 3.123 20 10 BGCDRO COc1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1O ZINC000162710433 175268391 /nfs/dbraw/zinc/26/83/91/175268391.db2.gz LPDVJHIPPMGANE-LBPRGKRZSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1O ZINC000162710557 175266568 /nfs/dbraw/zinc/26/65/68/175266568.db2.gz LPDVJHIPPMGANE-GFCCVEGCSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000162713794 634302645 /nfs/dbraw/zinc/30/26/45/634302645.db2.gz HDMQYGZUJAWASI-CYBMUJFWSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000162713916 633037505 /nfs/dbraw/zinc/03/75/05/633037505.db2.gz HDMQYGZUJAWASI-ZDUSSCGKSA-N 1 0 233.355 3.369 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)c(O)c1 ZINC000162717954 634302929 /nfs/dbraw/zinc/30/29/29/634302929.db2.gz OYWZGANRRUMWHA-LBPRGKRZSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)c(O)c1 ZINC000162718064 634302858 /nfs/dbraw/zinc/30/28/58/634302858.db2.gz OYWZGANRRUMWHA-GFCCVEGCSA-N 1 0 249.354 3.069 20 10 BGCDRO CC1(C)CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000162729913 634311953 /nfs/dbraw/zinc/31/19/53/634311953.db2.gz HIQPESRVBQJIKQ-AWEZNQCLSA-N 1 0 245.366 3.290 20 10 BGCDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000162730048 634313152 /nfs/dbraw/zinc/31/31/52/634313152.db2.gz HIQPESRVBQJIKQ-CQSZACIVSA-N 1 0 245.366 3.290 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H]2C)c1 ZINC000162770850 487614393 /nfs/dbraw/zinc/61/43/93/487614393.db2.gz MJUOHFSPWDEBFN-LBPRGKRZSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCCC[C@H]2C)c1 ZINC000162770987 487614303 /nfs/dbraw/zinc/61/43/03/487614303.db2.gz MJUOHFSPWDEBFN-GFCCVEGCSA-N 1 0 219.328 3.075 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000162804975 711725090 /nfs/dbraw/zinc/72/50/90/711725090.db2.gz YSZSUYHWVZMGKQ-SNVBAGLBSA-N 1 0 239.746 3.278 20 10 BGCDRO CCC[NH+](CCC)Cc1cccc(C)c1O ZINC000162805269 711680610 /nfs/dbraw/zinc/68/06/10/711680610.db2.gz WHXLTEYZXAJDIE-UHFFFAOYSA-N 1 0 221.344 3.323 20 10 BGCDRO Cc1cccc(C[N@H+]2CCCC[C@@H]2C)c1O ZINC000162806359 711680522 /nfs/dbraw/zinc/68/05/22/711680522.db2.gz RERZPOTVDMHWBO-LBPRGKRZSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1cccc(C[N@H+]2CCCC[C@H]2C)c1O ZINC000162806493 634472462 /nfs/dbraw/zinc/47/24/62/634472462.db2.gz RERZPOTVDMHWBO-GFCCVEGCSA-N 1 0 219.328 3.075 20 10 BGCDRO CCCC[N@H+](CC)Cc1cccc(C)c1O ZINC000162806893 711680298 /nfs/dbraw/zinc/68/02/98/711680298.db2.gz XQRSUHVRGNMGEW-UHFFFAOYSA-N 1 0 221.344 3.323 20 10 BGCDRO Cc1cccc(C[N@@H+](C)C2CCCC2)c1O ZINC000162807256 179063583 /nfs/dbraw/zinc/06/35/83/179063583.db2.gz YMNLBVXJTNZPDU-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO CC[N@H+](Cc1cccc(Cl)c1[O-])C(C)C ZINC000162808360 350434030 /nfs/dbraw/zinc/43/40/30/350434030.db2.gz WOYOMBPVPSVRND-UHFFFAOYSA-N 1 0 227.735 3.276 20 10 BGCDRO Cc1cccc(C[N@@H+](C)CCC(C)C)c1O ZINC000162810120 634498888 /nfs/dbraw/zinc/49/88/88/634498888.db2.gz BJOSNFHGHOYWII-UHFFFAOYSA-N 1 0 221.344 3.179 20 10 BGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)C(C)C)c1O ZINC000162810641 179069487 /nfs/dbraw/zinc/06/94/87/179069487.db2.gz NNHGNUBWJROBRC-LBPRGKRZSA-N 1 0 221.344 3.177 20 10 BGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)C(C)C)c1O ZINC000162810767 179070012 /nfs/dbraw/zinc/07/00/12/179070012.db2.gz NNHGNUBWJROBRC-GFCCVEGCSA-N 1 0 221.344 3.177 20 10 BGCDRO CC[N@@H+](Cc1cccc(C)c1O)CC(C)C ZINC000162811177 711680612 /nfs/dbraw/zinc/68/06/12/711680612.db2.gz AJUHRGYAYSEKMI-UHFFFAOYSA-N 1 0 221.344 3.179 20 10 BGCDRO CCC[C@@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000162812356 711680529 /nfs/dbraw/zinc/68/05/29/711680529.db2.gz XHDWECXBIPKSEC-GFCCVEGCSA-N 1 0 221.344 3.321 20 10 BGCDRO CCC[C@H](C)[N@H+](C)Cc1cccc(C)c1O ZINC000162812446 634561385 /nfs/dbraw/zinc/56/13/85/634561385.db2.gz XHDWECXBIPKSEC-LBPRGKRZSA-N 1 0 221.344 3.321 20 10 BGCDRO CC[C@@H](C)C[N@H+](C)Cc1cccc(C)c1O ZINC000162812920 634561156 /nfs/dbraw/zinc/56/11/56/634561156.db2.gz USMPFLXYJKJVGV-LLVKDONJSA-N 1 0 221.344 3.179 20 10 BGCDRO CC[C@H](C)C[N@H+](C)Cc1cccc(C)c1O ZINC000162812994 634561679 /nfs/dbraw/zinc/56/16/79/634561679.db2.gz USMPFLXYJKJVGV-NSHDSACASA-N 1 0 221.344 3.179 20 10 BGCDRO Cc1cccc(C[N@@H+](C)CC(C)(C)C)c1O ZINC000162815481 634563287 /nfs/dbraw/zinc/56/32/87/634563287.db2.gz MHNDMGBUQFQKMM-UHFFFAOYSA-N 1 0 221.344 3.179 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000162815792 634567594 /nfs/dbraw/zinc/56/75/94/634567594.db2.gz LHZFIXZKPWMURU-CYBMUJFWSA-N 1 0 219.328 3.075 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000162815910 633040441 /nfs/dbraw/zinc/04/04/41/633040441.db2.gz LHZFIXZKPWMURU-ZDUSSCGKSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCCC2(C)C)c1O ZINC000162817651 179073065 /nfs/dbraw/zinc/07/30/65/179073065.db2.gz SDDCTHHQUYXERG-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO CCC(C)(C)[N@H+](C)Cc1cccc(C)c1O ZINC000162818715 168285601 /nfs/dbraw/zinc/28/56/01/168285601.db2.gz KIYVMVZVTWOKNV-UHFFFAOYSA-N 1 0 221.344 3.321 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2ccsc2)c1O ZINC000162821220 634582164 /nfs/dbraw/zinc/58/21/64/634582164.db2.gz DXDSKRAJLZYZJR-UHFFFAOYSA-N 1 0 233.336 3.052 20 10 BGCDRO Cc1cccc(C[NH2+]C2(C)CCCC2)c1O ZINC000162825677 635134034 /nfs/dbraw/zinc/13/40/34/635134034.db2.gz XSQNQHKPHJKZCZ-UHFFFAOYSA-N 1 0 219.328 3.123 20 10 BGCDRO Cc1cccc(C[NH2+]CCCC(C)C)c1O ZINC000162827071 633040987 /nfs/dbraw/zinc/04/09/87/633040987.db2.gz VGCJDTMQPGCTAT-UHFFFAOYSA-N 1 0 221.344 3.226 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2CCCCCC2)c1 ZINC000162828681 633040946 /nfs/dbraw/zinc/04/09/46/633040946.db2.gz YFUABFFKWFZUPA-UHFFFAOYSA-N 1 0 219.328 3.077 20 10 BGCDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000162830287 633039353 /nfs/dbraw/zinc/03/93/53/633039353.db2.gz LOERXDWYKBZXGO-ZYHUDNBSSA-N 1 0 221.344 3.225 20 10 BGCDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000162830429 635138199 /nfs/dbraw/zinc/13/81/99/635138199.db2.gz LOERXDWYKBZXGO-CMPLNLGQSA-N 1 0 221.344 3.225 20 10 BGCDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000162830548 633040100 /nfs/dbraw/zinc/04/01/00/633040100.db2.gz LOERXDWYKBZXGO-PWSUYJOCSA-N 1 0 221.344 3.225 20 10 BGCDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000162830672 633039496 /nfs/dbraw/zinc/03/94/96/633039496.db2.gz LOERXDWYKBZXGO-JQWIXIFHSA-N 1 0 221.344 3.225 20 10 BGCDRO CCC[C@@H](CC)[NH2+]Cc1cccc(C)c1O ZINC000162861654 633040516 /nfs/dbraw/zinc/04/05/16/633040516.db2.gz DTIVSDXYBLDBKB-CYBMUJFWSA-N 1 0 221.344 3.369 20 10 BGCDRO CCC[C@H](CC)[NH2+]Cc1cccc(C)c1O ZINC000162861784 633038987 /nfs/dbraw/zinc/03/89/87/633038987.db2.gz DTIVSDXYBLDBKB-ZDUSSCGKSA-N 1 0 221.344 3.369 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H](C)C(C)C)c1O ZINC000162865916 633041315 /nfs/dbraw/zinc/04/13/15/633041315.db2.gz SMZWMARSBRPTJA-GFCCVEGCSA-N 1 0 221.344 3.082 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@H](C)C(C)C)c1O ZINC000162866036 633041492 /nfs/dbraw/zinc/04/14/92/633041492.db2.gz SMZWMARSBRPTJA-LBPRGKRZSA-N 1 0 221.344 3.082 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H](C)CC(C)C)c1O ZINC000162871598 635143259 /nfs/dbraw/zinc/14/32/59/635143259.db2.gz MPCBGSJIJGEZGO-LBPRGKRZSA-N 1 0 221.344 3.225 20 10 BGCDRO Cc1cccc(C[NH2+][C@H](C)CC(C)C)c1O ZINC000162871698 633041624 /nfs/dbraw/zinc/04/16/24/633041624.db2.gz MPCBGSJIJGEZGO-GFCCVEGCSA-N 1 0 221.344 3.225 20 10 BGCDRO Cc1cc(O)c(C[N@H+](C)CCC2CC2)cc1C ZINC000162891098 635154484 /nfs/dbraw/zinc/15/44/84/635154484.db2.gz YMRWWUUYCMVFDN-UHFFFAOYSA-N 1 0 233.355 3.241 20 10 BGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1O ZINC000162910992 633042950 /nfs/dbraw/zinc/04/29/50/633042950.db2.gz LWGCWDUXFLXSTD-NEPJUHHUSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1O ZINC000162911138 633042612 /nfs/dbraw/zinc/04/26/12/633042612.db2.gz LWGCWDUXFLXSTD-RYUDHWBXSA-N 1 0 249.354 3.021 20 10 BGCDRO C[C@@H](C[NH2+]CCc1ccc(N)cc1)C(C)(C)C ZINC000162960116 635246714 /nfs/dbraw/zinc/24/67/14/635246714.db2.gz CJMVFFXOPKLHOI-LBPRGKRZSA-N 1 0 234.387 3.083 20 10 BGCDRO C[C@H](C[NH2+]CCc1ccc(N)cc1)C(C)(C)C ZINC000162960248 635248020 /nfs/dbraw/zinc/24/80/20/635248020.db2.gz CJMVFFXOPKLHOI-GFCCVEGCSA-N 1 0 234.387 3.083 20 10 BGCDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(N(C)C)cc1 ZINC000163390072 168147299 /nfs/dbraw/zinc/14/72/99/168147299.db2.gz OSOYQZDTTDNQDE-LXVYMNJGSA-N 1 0 232.371 3.202 20 10 BGCDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(N(C)C)cc1 ZINC000163390183 168148418 /nfs/dbraw/zinc/14/84/18/168148418.db2.gz OSOYQZDTTDNQDE-MBHSVXNSSA-N 1 0 232.371 3.202 20 10 BGCDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000163856504 640423920 /nfs/dbraw/zinc/42/39/20/640423920.db2.gz XZBJECUKICUACS-CYBMUJFWSA-N 1 0 233.355 3.260 20 10 BGCDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000163856648 633064522 /nfs/dbraw/zinc/06/45/22/633064522.db2.gz XZBJECUKICUACS-ZDUSSCGKSA-N 1 0 233.355 3.260 20 10 BGCDRO CCCC[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000163910159 640428710 /nfs/dbraw/zinc/42/87/10/640428710.db2.gz XMAUSGPGOINNPT-UHFFFAOYSA-N 1 0 221.344 3.241 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+](C(C)C)C2CC2)c1 ZINC000163941169 640428265 /nfs/dbraw/zinc/42/82/65/640428265.db2.gz RLDWMQKLGRWPHJ-UHFFFAOYSA-N 1 0 233.355 3.382 20 10 BGCDRO COc1cc(C)cc(C[N@H+](C(C)C)C2CC2)c1O ZINC000163941313 640428666 /nfs/dbraw/zinc/42/86/66/640428666.db2.gz JOOBHIBBHMNNJA-UHFFFAOYSA-N 1 0 249.354 3.082 20 10 BGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000163974141 633068314 /nfs/dbraw/zinc/06/83/14/633068314.db2.gz QTKKNWHWKQZRCT-QWRGUYRKSA-N 1 0 219.328 3.089 20 10 BGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000163974260 640432367 /nfs/dbraw/zinc/43/23/67/640432367.db2.gz QTKKNWHWKQZRCT-MNOVXSKESA-N 1 0 219.328 3.089 20 10 BGCDRO C[C@@H](C[NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000163974377 640431335 /nfs/dbraw/zinc/43/13/35/640431335.db2.gz QTKKNWHWKQZRCT-WDEREUQCSA-N 1 0 219.328 3.089 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H](C)C1CC1)c1ccccc1O ZINC000163974477 640430596 /nfs/dbraw/zinc/43/05/96/640430596.db2.gz QTKKNWHWKQZRCT-GHMZBOCLSA-N 1 0 219.328 3.089 20 10 BGCDRO CCC(CC)C[NH2+][C@@H](C)c1ccccc1O ZINC000163978291 640432341 /nfs/dbraw/zinc/43/23/41/640432341.db2.gz RKNOWAQVKHNAOK-NSHDSACASA-N 1 0 221.344 3.479 20 10 BGCDRO CCC(CC)C[NH2+][C@H](C)c1ccccc1O ZINC000163978398 633068128 /nfs/dbraw/zinc/06/81/28/633068128.db2.gz RKNOWAQVKHNAOK-LLVKDONJSA-N 1 0 221.344 3.479 20 10 BGCDRO CSCCCC[NH2+][C@@H](C)c1ccccc1O ZINC000163981504 633067919 /nfs/dbraw/zinc/06/79/19/633067919.db2.gz HJTSPXHXNVEDCV-NSHDSACASA-N 1 0 239.384 3.186 20 10 BGCDRO CSCCCC[NH2+][C@H](C)c1ccccc1O ZINC000163981576 640434448 /nfs/dbraw/zinc/43/44/48/640434448.db2.gz HJTSPXHXNVEDCV-LLVKDONJSA-N 1 0 239.384 3.186 20 10 BGCDRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000163982212 633067406 /nfs/dbraw/zinc/06/74/06/633067406.db2.gz BEZXLRFFOMPBKA-QWRGUYRKSA-N 1 0 239.384 3.184 20 10 BGCDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000163982308 640433805 /nfs/dbraw/zinc/43/38/05/640433805.db2.gz BEZXLRFFOMPBKA-MNOVXSKESA-N 1 0 239.384 3.184 20 10 BGCDRO CSCC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000163982382 633067816 /nfs/dbraw/zinc/06/78/16/633067816.db2.gz BEZXLRFFOMPBKA-WDEREUQCSA-N 1 0 239.384 3.184 20 10 BGCDRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000163982487 640433662 /nfs/dbraw/zinc/43/36/62/640433662.db2.gz BEZXLRFFOMPBKA-GHMZBOCLSA-N 1 0 239.384 3.184 20 10 BGCDRO CSC(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000163986364 384890881 /nfs/dbraw/zinc/89/08/81/384890881.db2.gz QAMWFCROOINVRI-JTQLQIEISA-N 1 0 239.384 3.184 20 10 BGCDRO CSC(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000163986472 384891022 /nfs/dbraw/zinc/89/10/22/384891022.db2.gz QAMWFCROOINVRI-SNVBAGLBSA-N 1 0 239.384 3.184 20 10 BGCDRO C[C@H]([NH2+]CCCC1CC1)c1ccccc1O ZINC000163990628 633067625 /nfs/dbraw/zinc/06/76/25/633067625.db2.gz HQXBWNNFPPVOGP-NSHDSACASA-N 1 0 219.328 3.233 20 10 BGCDRO C[C@@H]([NH2+]CCCC1CC1)c1ccccc1O ZINC000163990693 633067370 /nfs/dbraw/zinc/06/73/70/633067370.db2.gz HQXBWNNFPPVOGP-LLVKDONJSA-N 1 0 219.328 3.233 20 10 BGCDRO C[C@H]([NH2+]CCC1CCC1)c1ccccc1O ZINC000163992855 640434145 /nfs/dbraw/zinc/43/41/45/640434145.db2.gz PPSHKPCDQFLNDQ-NSHDSACASA-N 1 0 219.328 3.233 20 10 BGCDRO C[C@@H]([NH2+]CCC1CCC1)c1ccccc1O ZINC000163992977 633068581 /nfs/dbraw/zinc/06/85/81/633068581.db2.gz PPSHKPCDQFLNDQ-LLVKDONJSA-N 1 0 219.328 3.233 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1O ZINC000163997357 640433735 /nfs/dbraw/zinc/43/37/35/640433735.db2.gz HJBDTUGTFRQFJV-QWRGUYRKSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccccc1O ZINC000163997450 633068291 /nfs/dbraw/zinc/06/82/91/633068291.db2.gz HJBDTUGTFRQFJV-WDEREUQCSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CCC1 ZINC000163997559 640434580 /nfs/dbraw/zinc/43/45/80/640434580.db2.gz HJBDTUGTFRQFJV-MNOVXSKESA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccccc1O ZINC000163997646 633067288 /nfs/dbraw/zinc/06/72/88/633067288.db2.gz HJBDTUGTFRQFJV-GHMZBOCLSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccccc1O ZINC000163998017 170853122 /nfs/dbraw/zinc/85/31/22/170853122.db2.gz RLGWMVVHIWZUAT-QWRGUYRKSA-N 1 0 239.384 3.184 20 10 BGCDRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccccc1O ZINC000163998139 384895938 /nfs/dbraw/zinc/89/59/38/384895938.db2.gz RLGWMVVHIWZUAT-WDEREUQCSA-N 1 0 239.384 3.184 20 10 BGCDRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccccc1O ZINC000163998253 384895858 /nfs/dbraw/zinc/89/58/58/384895858.db2.gz RLGWMVVHIWZUAT-MNOVXSKESA-N 1 0 239.384 3.184 20 10 BGCDRO CC[C@H](CSC)[NH2+][C@H](C)c1ccccc1O ZINC000163998354 384895790 /nfs/dbraw/zinc/89/57/90/384895790.db2.gz RLGWMVVHIWZUAT-GHMZBOCLSA-N 1 0 239.384 3.184 20 10 BGCDRO CC[N@@H+](Cc1cc(C)cc(C)c1O)CC1CC1 ZINC000164326476 640469399 /nfs/dbraw/zinc/46/93/99/640469399.db2.gz FFAWMEMKBPRFSA-UHFFFAOYSA-N 1 0 233.355 3.241 20 10 BGCDRO Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1O ZINC000164382556 633077650 /nfs/dbraw/zinc/07/76/50/633077650.db2.gz JCBUMJUFZAJLSC-WCQYABFASA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1O ZINC000164382687 640471991 /nfs/dbraw/zinc/47/19/91/640471991.db2.gz JCBUMJUFZAJLSC-DGCLKSJQSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC(C)(C)C2)c1 ZINC000164423839 640484149 /nfs/dbraw/zinc/48/41/49/640484149.db2.gz OEJGQTSVMDVUKQ-UHFFFAOYSA-N 1 0 233.355 3.241 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C)[C@@H]2C)c1 ZINC000164451676 640483481 /nfs/dbraw/zinc/48/34/81/640483481.db2.gz NDAQORKMCMEYRT-AAEUAGOBSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C)[C@@H]2C)c1 ZINC000164451819 644169369 /nfs/dbraw/zinc/16/93/69/644169369.db2.gz NDAQORKMCMEYRT-YPMHNXCESA-N 1 0 233.355 3.239 20 10 BGCDRO CC[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164476071 640487649 /nfs/dbraw/zinc/48/76/49/640487649.db2.gz SQXRDQUVPLIWSJ-CYBMUJFWSA-N 1 0 233.355 3.241 20 10 BGCDRO CC[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2O)C1 ZINC000164476158 640485988 /nfs/dbraw/zinc/48/59/88/640485988.db2.gz SQXRDQUVPLIWSJ-ZDUSSCGKSA-N 1 0 233.355 3.241 20 10 BGCDRO CCC(C)(C)[NH2+]Cc1cc(C)c(C)cc1O ZINC000164480951 633077437 /nfs/dbraw/zinc/07/74/37/633077437.db2.gz JMKDQWJZCXOSSO-UHFFFAOYSA-N 1 0 221.344 3.287 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC3(CCC3)C2)c1 ZINC000164487704 640487515 /nfs/dbraw/zinc/48/75/15/640487515.db2.gz UFEJGBWXWUZUKU-UHFFFAOYSA-N 1 0 245.366 3.385 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+](C)CCC2CC2)c1 ZINC000164539373 640490401 /nfs/dbraw/zinc/49/04/01/640490401.db2.gz QQSUEMNHXVDGEK-UHFFFAOYSA-N 1 0 233.355 3.241 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000164599802 385020204 /nfs/dbraw/zinc/02/02/04/385020204.db2.gz BPBCPSIJCJSCQS-SRVKXCTJSA-N 1 0 219.328 3.007 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000164600043 385021481 /nfs/dbraw/zinc/02/14/81/385021481.db2.gz BPBCPSIJCJSCQS-SDDRHHMPSA-N 1 0 219.328 3.007 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c(O)c1 ZINC000164600764 385019649 /nfs/dbraw/zinc/01/96/49/385019649.db2.gz LVKMTCGCQOCOSD-SRVKXCTJSA-N 1 0 219.328 3.007 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c(O)c1 ZINC000164601003 385019724 /nfs/dbraw/zinc/01/97/24/385019724.db2.gz LVKMTCGCQOCOSD-SDDRHHMPSA-N 1 0 219.328 3.007 20 10 BGCDRO CSC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000164611681 397793901 /nfs/dbraw/zinc/79/39/01/397793901.db2.gz SEWMXVTWROHGKF-WDEREUQCSA-N 1 0 239.384 3.103 20 10 BGCDRO CSC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000164611796 397793913 /nfs/dbraw/zinc/79/39/13/397793913.db2.gz SEWMXVTWROHGKF-QWRGUYRKSA-N 1 0 239.384 3.103 20 10 BGCDRO CSC[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000164611904 397794040 /nfs/dbraw/zinc/79/40/40/397794040.db2.gz SEWMXVTWROHGKF-GHMZBOCLSA-N 1 0 239.384 3.103 20 10 BGCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000164612050 397793624 /nfs/dbraw/zinc/79/36/24/397793624.db2.gz SEWMXVTWROHGKF-MNOVXSKESA-N 1 0 239.384 3.103 20 10 BGCDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000164612655 397794058 /nfs/dbraw/zinc/79/40/58/397794058.db2.gz ZEIODDLGDVISPF-WDEREUQCSA-N 1 0 239.384 3.103 20 10 BGCDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000164612775 397794020 /nfs/dbraw/zinc/79/40/20/397794020.db2.gz ZEIODDLGDVISPF-QWRGUYRKSA-N 1 0 239.384 3.103 20 10 BGCDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000164612884 397794089 /nfs/dbraw/zinc/79/40/89/397794089.db2.gz ZEIODDLGDVISPF-GHMZBOCLSA-N 1 0 239.384 3.103 20 10 BGCDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000164612998 397793932 /nfs/dbraw/zinc/79/39/32/397793932.db2.gz ZEIODDLGDVISPF-MNOVXSKESA-N 1 0 239.384 3.103 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CC(C)C2)c1 ZINC000164632676 385024075 /nfs/dbraw/zinc/02/40/75/385024075.db2.gz ONAZFQGYPBYQFU-MOENNCHZSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CC(C)C2)c1 ZINC000164632789 385023382 /nfs/dbraw/zinc/02/33/82/385023382.db2.gz ONAZFQGYPBYQFU-CXQJBGSLSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)C2)c(O)c1 ZINC000164633131 385025153 /nfs/dbraw/zinc/02/51/53/385025153.db2.gz XQFZXKSLDGOYPV-MOENNCHZSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C2CC(C)C2)c(O)c1 ZINC000164633270 385025472 /nfs/dbraw/zinc/02/54/72/385025472.db2.gz XQFZXKSLDGOYPV-CXQJBGSLSA-N 1 0 219.328 3.150 20 10 BGCDRO CS[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000164635609 385024649 /nfs/dbraw/zinc/02/46/49/385024649.db2.gz IBLIHRQBIMTZKT-GHMZBOCLSA-N 1 0 239.384 3.103 20 10 BGCDRO CS[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000164635703 385024225 /nfs/dbraw/zinc/02/42/25/385024225.db2.gz IBLIHRQBIMTZKT-MNOVXSKESA-N 1 0 239.384 3.103 20 10 BGCDRO CS[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000164635790 385025525 /nfs/dbraw/zinc/02/55/25/385025525.db2.gz IBLIHRQBIMTZKT-WDEREUQCSA-N 1 0 239.384 3.103 20 10 BGCDRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000164635892 385025642 /nfs/dbraw/zinc/02/56/42/385025642.db2.gz IBLIHRQBIMTZKT-QWRGUYRKSA-N 1 0 239.384 3.103 20 10 BGCDRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000164636447 385023561 /nfs/dbraw/zinc/02/35/61/385023561.db2.gz XTAXYAWVRJUVFZ-GHMZBOCLSA-N 1 0 239.384 3.103 20 10 BGCDRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000164636555 385023327 /nfs/dbraw/zinc/02/33/27/385023327.db2.gz XTAXYAWVRJUVFZ-MNOVXSKESA-N 1 0 239.384 3.103 20 10 BGCDRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000164636680 385024961 /nfs/dbraw/zinc/02/49/61/385024961.db2.gz XTAXYAWVRJUVFZ-WDEREUQCSA-N 1 0 239.384 3.103 20 10 BGCDRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000164636790 385026019 /nfs/dbraw/zinc/02/60/19/385026019.db2.gz XTAXYAWVRJUVFZ-QWRGUYRKSA-N 1 0 239.384 3.103 20 10 BGCDRO CCCC(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000164677299 633081653 /nfs/dbraw/zinc/08/16/53/633081653.db2.gz DWAGFFNAOMLVQQ-UHFFFAOYSA-N 1 0 237.343 3.069 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CCC(C)(C)C2)c1O ZINC000164772296 640505535 /nfs/dbraw/zinc/50/55/35/640505535.db2.gz BGTFLMHAAIBXSQ-CYBMUJFWSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CCC(C)(C)C2)c1O ZINC000164772406 633083184 /nfs/dbraw/zinc/08/31/84/633083184.db2.gz BGTFLMHAAIBXSQ-ZDUSSCGKSA-N 1 0 233.355 3.369 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC(C)(C)C2)c1 ZINC000164773280 640505177 /nfs/dbraw/zinc/50/51/77/640505177.db2.gz YPFLVFSDJPSUHN-LBPRGKRZSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC(C)(C)C2)c1 ZINC000164773393 640504961 /nfs/dbraw/zinc/50/49/61/640504961.db2.gz YPFLVFSDJPSUHN-GFCCVEGCSA-N 1 0 249.354 3.069 20 10 BGCDRO CCC[N@H+](Cc1cccc(C)c1O)C(C)C ZINC000165411506 633091049 /nfs/dbraw/zinc/09/10/49/633091049.db2.gz USKRVEXWFDUQND-UHFFFAOYSA-N 1 0 221.344 3.321 20 10 BGCDRO CCC1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000165459013 640579235 /nfs/dbraw/zinc/57/92/35/640579235.db2.gz LYKLQBLLRNGQHO-UHFFFAOYSA-N 1 0 239.746 3.325 20 10 BGCDRO CCC1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000165464664 640581030 /nfs/dbraw/zinc/58/10/30/640581030.db2.gz SBTGSSSHAUALEL-UHFFFAOYSA-N 1 0 239.746 3.325 20 10 BGCDRO CC1(C[NH2+]Cc2cc(Cl)ccc2O)CCC1 ZINC000165477353 640580595 /nfs/dbraw/zinc/58/05/95/640580595.db2.gz VETDSRVSBJCXGH-UHFFFAOYSA-N 1 0 239.746 3.325 20 10 BGCDRO CC1(C[NH2+]Cc2c(O)cccc2Cl)CCC1 ZINC000165482629 640580003 /nfs/dbraw/zinc/58/00/03/640580003.db2.gz MVYNJOWDCKCLAY-UHFFFAOYSA-N 1 0 239.746 3.325 20 10 BGCDRO CCC1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000165581009 385149230 /nfs/dbraw/zinc/14/92/30/385149230.db2.gz RQNUHZYOHXTSJN-UHFFFAOYSA-N 1 0 219.328 3.062 20 10 BGCDRO CCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000166813352 361858077 /nfs/dbraw/zinc/85/80/77/361858077.db2.gz UQXLQPTWLZBRGR-GFCCVEGCSA-N 1 0 219.328 3.159 20 10 BGCDRO CCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000166813447 345722092 /nfs/dbraw/zinc/72/20/92/345722092.db2.gz UQXLQPTWLZBRGR-LBPRGKRZSA-N 1 0 219.328 3.159 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccccc1O ZINC000166837980 385286920 /nfs/dbraw/zinc/28/69/20/385286920.db2.gz ZHMPBLDGFOWKQE-GVXVVHGQSA-N 1 0 219.328 3.089 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccccc1O ZINC000166838210 385285999 /nfs/dbraw/zinc/28/59/99/385285999.db2.gz ZHMPBLDGFOWKQE-LOWVWBTDSA-N 1 0 219.328 3.089 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+]C(C)(C)C)cc1 ZINC000167959061 640767891 /nfs/dbraw/zinc/76/78/91/640767891.db2.gz UMKOXNVDYHOMGP-SREVYHEPSA-N 1 0 232.371 3.154 20 10 BGCDRO CCCC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000168168737 633141040 /nfs/dbraw/zinc/14/10/40/633141040.db2.gz YBEWGOUDNAMTJI-VOTSOKGWSA-N 1 0 232.371 3.156 20 10 BGCDRO CCCC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000168168834 633139601 /nfs/dbraw/zinc/13/96/01/633139601.db2.gz YBEWGOUDNAMTJI-SREVYHEPSA-N 1 0 232.371 3.156 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2ccoc2)c1 ZINC000168736398 385386041 /nfs/dbraw/zinc/38/60/41/385386041.db2.gz ZWYFRCUWLNXUAG-LLVKDONJSA-N 1 0 231.295 3.144 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2ccoc2)c1 ZINC000168736488 385384771 /nfs/dbraw/zinc/38/47/71/385384771.db2.gz ZWYFRCUWLNXUAG-NSHDSACASA-N 1 0 231.295 3.144 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccoc2)c(O)c1 ZINC000168737773 385385751 /nfs/dbraw/zinc/38/57/51/385385751.db2.gz RWBASTQHLQEPMB-LLVKDONJSA-N 1 0 231.295 3.144 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccoc2)c(O)c1 ZINC000168737862 385384880 /nfs/dbraw/zinc/38/48/80/385384880.db2.gz RWBASTQHLQEPMB-NSHDSACASA-N 1 0 231.295 3.144 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)c(O)c1 ZINC000168746124 633146048 /nfs/dbraw/zinc/14/60/48/633146048.db2.gz WQKCEGKOFZTLER-VXGBXAGGSA-N 1 0 233.355 3.397 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C2CC2)c(O)c1 ZINC000168746315 633145746 /nfs/dbraw/zinc/14/57/46/633145746.db2.gz WQKCEGKOFZTLER-NWDGAFQWSA-N 1 0 233.355 3.397 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)C2CC2)c(O)c1 ZINC000168746407 633145578 /nfs/dbraw/zinc/14/55/78/633145578.db2.gz WQKCEGKOFZTLER-RYUDHWBXSA-N 1 0 233.355 3.397 20 10 BGCDRO C[C@@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C1CC1 ZINC000168746519 633145917 /nfs/dbraw/zinc/14/59/17/633145917.db2.gz SSYHHXHGLOUMPR-UWVGGRQHSA-N 1 0 237.318 3.228 20 10 BGCDRO C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1O)C1CC1 ZINC000168746617 633146032 /nfs/dbraw/zinc/14/60/32/633146032.db2.gz SSYHHXHGLOUMPR-ZJUUUORDSA-N 1 0 237.318 3.228 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCC2CC2)c1 ZINC000168835910 640829105 /nfs/dbraw/zinc/82/91/05/640829105.db2.gz MOAANSWHFPXLOF-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCC2CC2)c1 ZINC000168835995 640828877 /nfs/dbraw/zinc/82/88/77/640828877.db2.gz MOAANSWHFPXLOF-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO C[C@H]([NH2+]CCCC1CC1)c1cc(F)ccc1O ZINC000168836797 640829019 /nfs/dbraw/zinc/82/90/19/640829019.db2.gz OXPMAJRFKKTSOP-JTQLQIEISA-N 1 0 237.318 3.372 20 10 BGCDRO C[C@@H]([NH2+]CCCC1CC1)c1cc(F)ccc1O ZINC000168836877 640829261 /nfs/dbraw/zinc/82/92/61/640829261.db2.gz OXPMAJRFKKTSOP-SNVBAGLBSA-N 1 0 237.318 3.372 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2CCC2)c1 ZINC000168842770 640828941 /nfs/dbraw/zinc/82/89/41/640828941.db2.gz DDSLTGFAZDFAAS-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2CCC2)c1 ZINC000168842868 633150550 /nfs/dbraw/zinc/15/05/50/633150550.db2.gz DDSLTGFAZDFAAS-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO C[C@H]([NH2+]CCC1CCC1)c1cc(F)ccc1O ZINC000168843710 640828665 /nfs/dbraw/zinc/82/86/65/640828665.db2.gz UMTTYLGGOBYNKJ-JTQLQIEISA-N 1 0 237.318 3.372 20 10 BGCDRO C[C@@H]([NH2+]CCC1CCC1)c1cc(F)ccc1O ZINC000168843795 640829475 /nfs/dbraw/zinc/82/94/75/640829475.db2.gz UMTTYLGGOBYNKJ-SNVBAGLBSA-N 1 0 237.318 3.372 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000168857438 633150826 /nfs/dbraw/zinc/15/08/26/633150826.db2.gz MQAFSXNPQRQTHY-QWRGUYRKSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2CCC2)c1 ZINC000168857533 633149432 /nfs/dbraw/zinc/14/94/32/633149432.db2.gz MQAFSXNPQRQTHY-WDEREUQCSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000168857623 633149353 /nfs/dbraw/zinc/14/93/53/633149353.db2.gz MQAFSXNPQRQTHY-MNOVXSKESA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2CCC2)c1 ZINC000168857708 633148910 /nfs/dbraw/zinc/14/89/10/633148910.db2.gz MQAFSXNPQRQTHY-GHMZBOCLSA-N 1 0 249.354 3.240 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)ccc1O ZINC000168858898 633149409 /nfs/dbraw/zinc/14/94/09/633149409.db2.gz VYCPPKMAPABNKS-UWVGGRQHSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1cc(F)ccc1O ZINC000168858969 633150567 /nfs/dbraw/zinc/15/05/67/633150567.db2.gz VYCPPKMAPABNKS-VHSXEESVSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C1CCC1 ZINC000168859044 633149757 /nfs/dbraw/zinc/14/97/57/633149757.db2.gz VYCPPKMAPABNKS-ZJUUUORDSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1cc(F)ccc1O ZINC000168859146 633150582 /nfs/dbraw/zinc/15/05/82/633150582.db2.gz VYCPPKMAPABNKS-NXEZZACHSA-N 1 0 237.318 3.371 20 10 BGCDRO CCC[N@H+](CC)Cc1c(O)cccc1Cl ZINC000168989864 632516159 /nfs/dbraw/zinc/51/61/59/632516159.db2.gz YNCWQQCTTZNBLK-UHFFFAOYSA-N 1 0 227.735 3.278 20 10 BGCDRO CCC[N@H+](CC)Cc1cc(Cl)ccc1O ZINC000168990269 633153574 /nfs/dbraw/zinc/15/35/74/633153574.db2.gz ICZIKOYAKYHHDP-UHFFFAOYSA-N 1 0 227.735 3.278 20 10 BGCDRO CCC[N@H+](Cc1cc(C)c(C)cc1O)C1CC1 ZINC000171603636 640993800 /nfs/dbraw/zinc/99/38/00/640993800.db2.gz MWKOWAGNEPFKPR-UHFFFAOYSA-N 1 0 233.355 3.383 20 10 BGCDRO CCC[N@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000171603659 640994450 /nfs/dbraw/zinc/99/44/50/640994450.db2.gz IHESKJKXMURZJD-UHFFFAOYSA-N 1 0 245.366 3.255 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)cc1C ZINC000172941206 641136991 /nfs/dbraw/zinc/13/69/91/641136991.db2.gz XMWGVDDQAJBHBI-OKILXGFUSA-N 1 0 245.366 3.097 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CCC(C)(C)C2)cc1C ZINC000173438889 641178730 /nfs/dbraw/zinc/17/87/30/641178730.db2.gz WVJFKZLZNILMPO-UHFFFAOYSA-N 1 0 233.355 3.241 20 10 BGCDRO CCC[N@@H+](Cc1ccccc1O)CC1CCC1 ZINC000174372492 641274661 /nfs/dbraw/zinc/27/46/61/641274661.db2.gz NSDJYTUMEJZIPW-UHFFFAOYSA-N 1 0 233.355 3.404 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)[C@@H]1C ZINC000174949970 642639709 /nfs/dbraw/zinc/63/97/09/642639709.db2.gz BRCFGHGQYKANEN-VXGBXAGGSA-N 1 0 245.366 3.111 20 10 BGCDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000174949990 642639102 /nfs/dbraw/zinc/63/91/02/642639102.db2.gz BRCFGHGQYKANEN-NWDGAFQWSA-N 1 0 245.366 3.111 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H]2C)cc1C ZINC000174954106 639467964 /nfs/dbraw/zinc/46/79/64/639467964.db2.gz MEDQDQKBNOMPKC-GWCFXTLKSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H]2C)cc1C ZINC000174954127 639467711 /nfs/dbraw/zinc/46/77/11/639467711.db2.gz MEDQDQKBNOMPKC-MFKMUULPSA-N 1 0 233.355 3.239 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+]C2(CC)CCC2)c1 ZINC000177712359 385274394 /nfs/dbraw/zinc/27/43/94/385274394.db2.gz BRKPKLFBHFWJJL-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO CCC1([NH2+]Cc2cc(C)c(C)cc2O)CCC1 ZINC000177712566 632867758 /nfs/dbraw/zinc/86/77/58/632867758.db2.gz UGMPZXZOVGPFRP-UHFFFAOYSA-N 1 0 233.355 3.431 20 10 BGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CC2CC2)cc1 ZINC000177834420 188165173 /nfs/dbraw/zinc/16/51/73/188165173.db2.gz YUTPGTCLSPHPOZ-GFCCVEGCSA-N 1 0 232.371 3.203 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+]CC2CC2)cc1 ZINC000177834431 385292953 /nfs/dbraw/zinc/29/29/53/385292953.db2.gz YUTPGTCLSPHPOZ-LBPRGKRZSA-N 1 0 232.371 3.203 20 10 BGCDRO CCC[N@H+](Cc1cc(C)cc(C)c1O)C1CC1 ZINC000178887084 632394385 /nfs/dbraw/zinc/39/43/85/632394385.db2.gz CUVYDLGTLLUHHB-UHFFFAOYSA-N 1 0 233.355 3.383 20 10 BGCDRO CCC[N@H+](Cc1cc(C)cc(OC)c1O)C1CC1 ZINC000178887105 635754711 /nfs/dbraw/zinc/75/47/11/635754711.db2.gz DBRAMWGVVHIAGY-UHFFFAOYSA-N 1 0 249.354 3.084 20 10 BGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)CC)c1 ZINC000179324967 632691034 /nfs/dbraw/zinc/69/10/34/632691034.db2.gz HEIDRXRWUSLTMJ-LLVKDONJSA-N 1 0 237.343 3.021 20 10 BGCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)CC)c1 ZINC000179324973 632690983 /nfs/dbraw/zinc/69/09/83/632690983.db2.gz HEIDRXRWUSLTMJ-NSHDSACASA-N 1 0 237.343 3.021 20 10 BGCDRO COc1cc(C[N@H+](C)C2CCCC2)c(O)cc1C ZINC000179434548 632713395 /nfs/dbraw/zinc/71/33/95/632713395.db2.gz FODJHPBFPLLEMA-UHFFFAOYSA-N 1 0 249.354 3.084 20 10 BGCDRO CC[N@H+](Cc1cc2c(cc1O)CCCC2)C1CC1 ZINC000179436732 632713970 /nfs/dbraw/zinc/71/39/70/632713970.db2.gz AHNUUNCNJGLLCF-UHFFFAOYSA-N 1 0 245.366 3.255 20 10 BGCDRO CCOc1cccc(C[N@H+](C(C)C)C2CC2)c1O ZINC000179484889 385469952 /nfs/dbraw/zinc/46/99/52/385469952.db2.gz ZZSQBTMALXRXKC-UHFFFAOYSA-N 1 0 249.354 3.164 20 10 BGCDRO CCOc1ccc(O)c(C[N@H+](C(C)C)C2CC2)c1 ZINC000179485438 385470327 /nfs/dbraw/zinc/47/03/27/385470327.db2.gz BZGDVRHUMKRNIB-UHFFFAOYSA-N 1 0 249.354 3.164 20 10 BGCDRO Oc1ccccc1C[N@H+](C1CC1)C1CCCC1 ZINC000179556836 632747168 /nfs/dbraw/zinc/74/71/68/632747168.db2.gz KJZANJUFVHATAV-UHFFFAOYSA-N 1 0 231.339 3.299 20 10 BGCDRO C[C@@H](c1ccco1)[N@H+](C)Cc1ccccc1O ZINC000179557100 176031700 /nfs/dbraw/zinc/03/17/00/176031700.db2.gz JAZRYDUAFHDENB-NSHDSACASA-N 1 0 231.295 3.178 20 10 BGCDRO C[C@H](c1ccco1)[N@H+](C)Cc1ccccc1O ZINC000179557115 177047893 /nfs/dbraw/zinc/04/78/93/177047893.db2.gz JAZRYDUAFHDENB-LLVKDONJSA-N 1 0 231.295 3.178 20 10 BGCDRO CC[N@H+](Cc1cccs1)Cc1ccccc1O ZINC000179558155 346988973 /nfs/dbraw/zinc/98/89/73/346988973.db2.gz SVRIGPVYZNVCNC-UHFFFAOYSA-N 1 0 247.363 3.476 20 10 BGCDRO CC(C)C[N@H+](Cc1ccccc1O)C1CC1 ZINC000179559385 346988739 /nfs/dbraw/zinc/98/87/39/346988739.db2.gz NXFNOAFZIIEAJO-UHFFFAOYSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1O)C1CC1 ZINC000179559401 385473422 /nfs/dbraw/zinc/47/34/22/385473422.db2.gz MPHVSTXBSVAENF-NSHDSACASA-N 1 0 231.339 3.155 20 10 BGCDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1O)C1CC1 ZINC000179559408 385474067 /nfs/dbraw/zinc/47/40/67/385474067.db2.gz MPHVSTXBSVAENF-LLVKDONJSA-N 1 0 231.339 3.155 20 10 BGCDRO CC(C)CC[N@H+](Cc1ccccc1O)C1CC1 ZINC000179559430 632744198 /nfs/dbraw/zinc/74/41/98/632744198.db2.gz LPOGJZZBPIAIRV-UHFFFAOYSA-N 1 0 233.355 3.403 20 10 BGCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)C(C)C ZINC000179564345 642725432 /nfs/dbraw/zinc/72/54/32/642725432.db2.gz QMCYIQROJSGSDB-LBPRGKRZSA-N 1 0 221.344 3.259 20 10 BGCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)C(C)C ZINC000179564359 642726252 /nfs/dbraw/zinc/72/62/52/642726252.db2.gz QMCYIQROJSGSDB-GFCCVEGCSA-N 1 0 221.344 3.259 20 10 BGCDRO C[N@H+](Cc1ccccc1O)C(C1CC1)C1CC1 ZINC000179565439 385474578 /nfs/dbraw/zinc/47/45/78/385474578.db2.gz KZBAHDKLZAOYDI-UHFFFAOYSA-N 1 0 231.339 3.013 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000179566767 183302409 /nfs/dbraw/zinc/30/24/09/183302409.db2.gz KXJAFJMMECSELZ-CQSZACIVSA-N 1 0 231.339 3.157 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000179566779 183302428 /nfs/dbraw/zinc/30/24/28/183302428.db2.gz KXJAFJMMECSELZ-AWEZNQCLSA-N 1 0 231.339 3.157 20 10 BGCDRO Cc1ccc(C[N@@H+](C)Cc2cccc(C)c2O)o1 ZINC000179568457 385474568 /nfs/dbraw/zinc/47/45/68/385474568.db2.gz MBCKHTGBJKQCCI-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000179573861 642726673 /nfs/dbraw/zinc/72/66/73/642726673.db2.gz HEQWQYRQWWYKGS-ZDUSSCGKSA-N 1 0 233.355 3.260 20 10 BGCDRO Oc1ccccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000179575903 642725528 /nfs/dbraw/zinc/72/55/28/642725528.db2.gz CIQXEYOTZHUSMB-BETUJISGSA-N 1 0 231.339 3.014 20 10 BGCDRO Oc1ccccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000179575913 642724418 /nfs/dbraw/zinc/72/44/18/642724418.db2.gz CIQXEYOTZHUSMB-CHWSQXEVSA-N 1 0 231.339 3.014 20 10 BGCDRO Oc1ccccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000179575924 642727056 /nfs/dbraw/zinc/72/70/56/642727056.db2.gz CIQXEYOTZHUSMB-STQMWFEESA-N 1 0 231.339 3.014 20 10 BGCDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000179575983 642725384 /nfs/dbraw/zinc/72/53/84/642725384.db2.gz BXNGHWLJRZNGGH-AWEZNQCLSA-N 1 0 233.355 3.403 20 10 BGCDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000179575997 642725834 /nfs/dbraw/zinc/72/58/34/642725834.db2.gz BXNGHWLJRZNGGH-CQSZACIVSA-N 1 0 233.355 3.403 20 10 BGCDRO CC(C)[N@H+](Cc1ccccc1O)C1CCC1 ZINC000179578819 632747094 /nfs/dbraw/zinc/74/70/94/632747094.db2.gz IMXCWTOKSPWBEP-UHFFFAOYSA-N 1 0 219.328 3.155 20 10 BGCDRO CC(C)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179580272 642727815 /nfs/dbraw/zinc/72/78/15/642727815.db2.gz WXBLMKACYAKUST-UHFFFAOYSA-N 1 0 233.355 3.260 20 10 BGCDRO C[C@H]([N@H+](C)Cc1ccccc1O)C1(C)CC1 ZINC000179585603 385476623 /nfs/dbraw/zinc/47/66/23/385476623.db2.gz MAIRQPKILLTRBS-NSHDSACASA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@@H]([N@H+](C)Cc1ccccc1O)C1(C)CC1 ZINC000179585610 385476435 /nfs/dbraw/zinc/47/64/35/385476435.db2.gz MAIRQPKILLTRBS-LLVKDONJSA-N 1 0 219.328 3.013 20 10 BGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)c2ccco2)c1O ZINC000179682566 179070146 /nfs/dbraw/zinc/07/01/46/179070146.db2.gz XEXJWYCHMBGFEJ-LBPRGKRZSA-N 1 0 245.322 3.487 20 10 BGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)c2ccco2)c1O ZINC000179682579 179068765 /nfs/dbraw/zinc/06/87/65/179068765.db2.gz XEXJWYCHMBGFEJ-GFCCVEGCSA-N 1 0 245.322 3.487 20 10 BGCDRO CCC[N@H+](Cc1cccc(C)c1O)C1CC1 ZINC000179683759 169174694 /nfs/dbraw/zinc/17/46/94/169174694.db2.gz UPWFPLBDOJKOQC-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO C[C@@H](C1CC1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179714894 385485632 /nfs/dbraw/zinc/48/56/32/385485632.db2.gz JEZGKWGUELGXDU-VIFPVBQESA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@H](C1CC1)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000179714905 385486574 /nfs/dbraw/zinc/48/65/74/385486574.db2.gz JEZGKWGUELGXDU-SECBINFHSA-N 1 0 239.746 3.276 20 10 BGCDRO Cc1cccc(C[N@@H+](C(C)C)C2CC2)c1O ZINC000179725624 385487963 /nfs/dbraw/zinc/48/79/63/385487963.db2.gz OMQFQJAQBGCSEM-UHFFFAOYSA-N 1 0 219.328 3.073 20 10 BGCDRO Cc1cccc(C[N@@H+](CC(C)C)C2CC2)c1O ZINC000179730693 642741940 /nfs/dbraw/zinc/74/19/40/642741940.db2.gz YSEGPIHOFIVDDV-UHFFFAOYSA-N 1 0 233.355 3.321 20 10 BGCDRO COc1ccc(O)c(C[N@H+](CC(C)C)C2CC2)c1 ZINC000179730783 175157667 /nfs/dbraw/zinc/15/76/67/175157667.db2.gz KIUSBJFRRROQAO-UHFFFAOYSA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1cccc(C[N@@H+]([C@@H](C)C2CC2)C2CC2)c1O ZINC000179731046 642742129 /nfs/dbraw/zinc/74/21/29/642742129.db2.gz WKEBRVUUFDGJSG-LBPRGKRZSA-N 1 0 245.366 3.464 20 10 BGCDRO Cc1cccc(C[N@@H+]([C@H](C)C2CC2)C2CC2)c1O ZINC000179731055 642742058 /nfs/dbraw/zinc/74/20/58/642742058.db2.gz WKEBRVUUFDGJSG-GFCCVEGCSA-N 1 0 245.366 3.464 20 10 BGCDRO CCC[C@@H](C)C[N@H+](C)Cc1ccccc1O ZINC000179770537 642743538 /nfs/dbraw/zinc/74/35/38/642743538.db2.gz AIBNWQIPUATFFE-GFCCVEGCSA-N 1 0 221.344 3.260 20 10 BGCDRO CCC[C@H](C)C[N@H+](C)Cc1ccccc1O ZINC000179770550 642744306 /nfs/dbraw/zinc/74/43/06/642744306.db2.gz AIBNWQIPUATFFE-LBPRGKRZSA-N 1 0 221.344 3.260 20 10 BGCDRO CCOc1ccc(O)c(C[N@H+](C)C2CCCC2)c1 ZINC000179798840 385492693 /nfs/dbraw/zinc/49/26/93/385492693.db2.gz UWIWULQRWISXLY-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO Cc1occc1C[N@@H+](C)Cc1cccc(C)c1O ZINC000179839525 179069364 /nfs/dbraw/zinc/06/93/64/179069364.db2.gz LZHQNBJSULBLHE-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179865098 642749741 /nfs/dbraw/zinc/74/97/41/642749741.db2.gz DIGIIMWCZHXJDM-CYBMUJFWSA-N 1 0 237.318 3.296 20 10 BGCDRO CC[C@H]1CCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179865116 642749427 /nfs/dbraw/zinc/74/94/27/642749427.db2.gz DIGIIMWCZHXJDM-ZDUSSCGKSA-N 1 0 237.318 3.296 20 10 BGCDRO C[N@H+](Cc1cc(F)ccc1O)C1CCCCC1 ZINC000179865613 642749845 /nfs/dbraw/zinc/74/98/45/642749845.db2.gz FNDOLJUEWJVYPX-UHFFFAOYSA-N 1 0 237.318 3.296 20 10 BGCDRO CCC[NH+](CCC)Cc1cc(F)ccc1O ZINC000179867630 642751337 /nfs/dbraw/zinc/75/13/37/642751337.db2.gz SICCAAOQSANMCG-UHFFFAOYSA-N 1 0 225.307 3.153 20 10 BGCDRO CCCC[N@H+](CC)Cc1cc(F)ccc1O ZINC000179873508 642751148 /nfs/dbraw/zinc/75/11/48/642751148.db2.gz CXWHTIAVKZQOBM-UHFFFAOYSA-N 1 0 225.307 3.153 20 10 BGCDRO Cc1cnc(C[NH2+][C@@H](C)c2ccccc2O)s1 ZINC000179886419 633874730 /nfs/dbraw/zinc/87/47/30/633874730.db2.gz SFRNJWLGKYRBDY-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cnc(C[NH2+][C@H](C)c2ccccc2O)s1 ZINC000179886439 633874384 /nfs/dbraw/zinc/87/43/84/633874384.db2.gz SFRNJWLGKYRBDY-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO CC(C)=CC[NH2+][C@@H](C)c1ccccc1O ZINC000179902422 192027085 /nfs/dbraw/zinc/02/70/85/192027085.db2.gz KSQREXRVQKNECY-NSHDSACASA-N 1 0 205.301 3.009 20 10 BGCDRO CC(C)=CC[NH2+][C@H](C)c1ccccc1O ZINC000179902434 385383329 /nfs/dbraw/zinc/38/33/29/385383329.db2.gz KSQREXRVQKNECY-LLVKDONJSA-N 1 0 205.301 3.009 20 10 BGCDRO Cc1cccc(C[N@@H+](C)C(C2CC2)C2CC2)c1O ZINC000179923077 179063245 /nfs/dbraw/zinc/06/32/45/179063245.db2.gz PHYZSESSJMPGBK-UHFFFAOYSA-N 1 0 245.366 3.321 20 10 BGCDRO Oc1ccc(F)cc1C[N@H+](C1CC1)C1CCCC1 ZINC000179926365 642757801 /nfs/dbraw/zinc/75/78/01/642757801.db2.gz VMSJXBIWBQNEBX-UHFFFAOYSA-N 1 0 249.329 3.438 20 10 BGCDRO CC(C)CC[N@H+](C)Cc1cc(F)ccc1O ZINC000179928627 642757145 /nfs/dbraw/zinc/75/71/45/642757145.db2.gz HSBQITITKOAPMM-UHFFFAOYSA-N 1 0 225.307 3.009 20 10 BGCDRO C[C@@H](c1ccco1)[N@H+](C)Cc1cc(F)ccc1O ZINC000179929254 176031084 /nfs/dbraw/zinc/03/10/84/176031084.db2.gz LFYSCVLUTARPBM-JTQLQIEISA-N 1 0 249.285 3.317 20 10 BGCDRO C[C@H](c1ccco1)[N@H+](C)Cc1cc(F)ccc1O ZINC000179929272 177047991 /nfs/dbraw/zinc/04/79/91/177047991.db2.gz LFYSCVLUTARPBM-SNVBAGLBSA-N 1 0 249.285 3.317 20 10 BGCDRO CC[N@H+](Cc1cc(F)ccc1O)C1CCCC1 ZINC000179932558 642754074 /nfs/dbraw/zinc/75/40/74/642754074.db2.gz XCZJKFAXRQBVML-UHFFFAOYSA-N 1 0 237.318 3.296 20 10 BGCDRO CC[N@@H+](Cc1cc(F)ccc1O)CC(C)C ZINC000179932602 642754721 /nfs/dbraw/zinc/75/47/21/642754721.db2.gz XQABBFQUTDHJIC-UHFFFAOYSA-N 1 0 225.307 3.009 20 10 BGCDRO CC1(C)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000179944159 642757640 /nfs/dbraw/zinc/75/76/40/642757640.db2.gz VWXBIBDTJSZFGZ-UHFFFAOYSA-N 1 0 237.318 3.153 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)CC2)c1 ZINC000179949699 642756656 /nfs/dbraw/zinc/75/66/56/642756656.db2.gz TUNLUHZTBQJDDY-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C)CC2)c1 ZINC000179949711 642757093 /nfs/dbraw/zinc/75/70/93/642757093.db2.gz TUNLUHZTBQJDDY-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C)CC2)c1O ZINC000179949736 175259214 /nfs/dbraw/zinc/25/92/14/175259214.db2.gz OHWQVIIORRMNJV-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C)CC2)c1O ZINC000179949750 175258861 /nfs/dbraw/zinc/25/88/61/175258861.db2.gz OHWQVIIORRMNJV-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1O ZINC000179954406 711695892 /nfs/dbraw/zinc/69/58/92/711695892.db2.gz CNWIICBLIIMQSL-OAHLLOKOSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C2CCC2)c1O ZINC000179954426 642760614 /nfs/dbraw/zinc/76/06/14/642760614.db2.gz CNWIICBLIIMQSL-HNNXBMFYSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1occc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000179978653 385502437 /nfs/dbraw/zinc/50/24/37/385502437.db2.gz OCINGGXGVUJDFO-UHFFFAOYSA-N 1 0 249.285 3.065 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000179985850 642758612 /nfs/dbraw/zinc/75/86/12/642758612.db2.gz BYFOFXDPQRZVCP-RISCZKNCSA-N 1 0 249.329 3.296 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000180000956 633877050 /nfs/dbraw/zinc/87/70/50/633877050.db2.gz LJARLDPASNRYQS-LLVKDONJSA-N 1 0 237.318 3.153 20 10 BGCDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000180000972 633876752 /nfs/dbraw/zinc/87/67/52/633876752.db2.gz LJARLDPASNRYQS-NSHDSACASA-N 1 0 237.318 3.153 20 10 BGCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@@H](C)C(C)C ZINC000180001926 642762616 /nfs/dbraw/zinc/76/26/16/642762616.db2.gz PCJCESVHLCAOTQ-NSHDSACASA-N 1 0 239.334 3.398 20 10 BGCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@H](C)C(C)C ZINC000180001945 642762366 /nfs/dbraw/zinc/76/23/66/642762366.db2.gz PCJCESVHLCAOTQ-LLVKDONJSA-N 1 0 239.334 3.398 20 10 BGCDRO C[N@@H+](Cc1cc(F)ccc1O)CC1CCCC1 ZINC000180012471 642762652 /nfs/dbraw/zinc/76/26/52/642762652.db2.gz RJWFXXLXJLMKSE-UHFFFAOYSA-N 1 0 237.318 3.153 20 10 BGCDRO C[N@H+](Cc1cc(F)ccc1O)C(C1CC1)C1CC1 ZINC000180014977 385503878 /nfs/dbraw/zinc/50/38/78/385503878.db2.gz OPQJOSPSWDDKFE-UHFFFAOYSA-N 1 0 249.329 3.152 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@@H]1C ZINC000180022291 636039499 /nfs/dbraw/zinc/03/94/99/636039499.db2.gz JVACQOOQTHRJJO-GHMZBOCLSA-N 1 0 237.318 3.152 20 10 BGCDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000180022307 642764212 /nfs/dbraw/zinc/76/42/12/642764212.db2.gz JVACQOOQTHRJJO-WDEREUQCSA-N 1 0 237.318 3.152 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000180026309 642764237 /nfs/dbraw/zinc/76/42/37/642764237.db2.gz NUCFYMNLDJLHCB-CQSZACIVSA-N 1 0 249.329 3.296 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000180026325 642764491 /nfs/dbraw/zinc/76/44/91/642764491.db2.gz NUCFYMNLDJLHCB-AWEZNQCLSA-N 1 0 249.329 3.296 20 10 BGCDRO CCC[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000180097628 642770468 /nfs/dbraw/zinc/77/04/68/642770468.db2.gz LLBGOIDWWXGBHD-UHFFFAOYSA-N 1 0 239.746 3.420 20 10 BGCDRO CCC[N@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000180098547 169173639 /nfs/dbraw/zinc/17/36/39/169173639.db2.gz SKVVHDZKEQYZMH-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO CCC[N@H+](Cc1cc(OCC)ccc1O)C1CC1 ZINC000180098639 642771379 /nfs/dbraw/zinc/77/13/79/642771379.db2.gz IWMRBRFCJGMONC-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO CC[N@H+](Cc1cc(Cl)ccc1O)C1CC1 ZINC000180101513 642770157 /nfs/dbraw/zinc/77/01/57/642770157.db2.gz CVZCSZOMSUTWKV-UHFFFAOYSA-N 1 0 225.719 3.030 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000180139341 711886861 /nfs/dbraw/zinc/88/68/61/711886861.db2.gz CCWHNFGJZUAXTM-UHFFFAOYSA-N 1 0 249.329 3.297 20 10 BGCDRO Oc1ccc(F)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000180161889 642778331 /nfs/dbraw/zinc/77/83/31/642778331.db2.gz VHJQIMPBECGITG-VXGBXAGGSA-N 1 0 249.329 3.153 20 10 BGCDRO Oc1ccc(F)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000180161902 642777131 /nfs/dbraw/zinc/77/71/31/642777131.db2.gz VHJQIMPBECGITG-RYUDHWBXSA-N 1 0 249.329 3.153 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C ZINC000180170051 711696421 /nfs/dbraw/zinc/69/64/21/711696421.db2.gz ZHHQDGAPCPLHJI-MNOVXSKESA-N 1 0 237.318 3.009 20 10 BGCDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180171931 711696385 /nfs/dbraw/zinc/69/63/85/711696385.db2.gz UAFJNJDIMXFPNJ-QWRGUYRKSA-N 1 0 237.318 3.152 20 10 BGCDRO CC(C)[N@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000180190811 642776887 /nfs/dbraw/zinc/77/68/87/642776887.db2.gz VHJRGMPIYMGJCY-UHFFFAOYSA-N 1 0 237.318 3.294 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC3(CCCC3)C2)c1O ZINC000180196687 642777245 /nfs/dbraw/zinc/77/72/45/642777245.db2.gz SPVOXYUCJLUUQN-UHFFFAOYSA-N 1 0 245.366 3.467 20 10 BGCDRO C[C@H]([N@H+](C)Cc1cc(F)ccc1O)C1(C)CC1 ZINC000180260850 385515186 /nfs/dbraw/zinc/51/51/86/385515186.db2.gz ACGBWKUYBIHCJM-JTQLQIEISA-N 1 0 237.318 3.152 20 10 BGCDRO C[C@@H]([N@H+](C)Cc1cc(F)ccc1O)C1(C)CC1 ZINC000180260867 385516439 /nfs/dbraw/zinc/51/64/39/385516439.db2.gz ACGBWKUYBIHCJM-SNVBAGLBSA-N 1 0 237.318 3.152 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC3(CCC3)C2)c1O ZINC000180282265 134328469 /nfs/dbraw/zinc/32/84/69/134328469.db2.gz DHWPQVFNRVVSOD-UHFFFAOYSA-N 1 0 231.339 3.077 20 10 BGCDRO Cc1cccc(C[N@@H+](C(C)C)C2CCC2)c1O ZINC000180400304 642793948 /nfs/dbraw/zinc/79/39/48/642793948.db2.gz COGBQNLTRSQOJP-UHFFFAOYSA-N 1 0 233.355 3.464 20 10 BGCDRO COc1ccc(O)c(C[N@H+](C(C)C)C2CCC2)c1 ZINC000180400420 642794508 /nfs/dbraw/zinc/79/45/08/642794508.db2.gz VKQJCDJYGAQIET-UHFFFAOYSA-N 1 0 249.354 3.164 20 10 BGCDRO CC1([NH2+]Cc2cc(F)ccc2O)CCCCC1 ZINC000180404757 642791745 /nfs/dbraw/zinc/79/17/45/642791745.db2.gz OHXWVSXMIQRXMA-UHFFFAOYSA-N 1 0 237.318 3.344 20 10 BGCDRO CCCC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000180635103 633897535 /nfs/dbraw/zinc/89/75/35/633897535.db2.gz BBNQMQNUQBMQLK-UHFFFAOYSA-N 1 0 225.307 3.200 20 10 BGCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)C2(C)CC2)c1O ZINC000180702163 633900230 /nfs/dbraw/zinc/90/02/30/633900230.db2.gz VZLCQYIPKWLWBL-LBPRGKRZSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1cccc(C[N@@H+](C)[C@H](C)C2(C)CC2)c1O ZINC000180702179 633899791 /nfs/dbraw/zinc/89/97/91/633899791.db2.gz VZLCQYIPKWLWBL-GFCCVEGCSA-N 1 0 233.355 3.321 20 10 BGCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)C2(C)CC2)c1 ZINC000180702282 175158128 /nfs/dbraw/zinc/15/81/28/175158128.db2.gz SIXOJMPWVYVFRY-NSHDSACASA-N 1 0 249.354 3.021 20 10 BGCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)C2(C)CC2)c1 ZINC000180702303 175157068 /nfs/dbraw/zinc/15/70/68/175157068.db2.gz SIXOJMPWVYVFRY-LLVKDONJSA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1cccc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000180713939 642808989 /nfs/dbraw/zinc/80/89/89/642808989.db2.gz TZIMKUPEDPWDOB-TXEJJXNPSA-N 1 0 219.328 3.073 20 10 BGCDRO Cc1cccc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1O ZINC000180713955 642808852 /nfs/dbraw/zinc/80/88/52/642808852.db2.gz TZIMKUPEDPWDOB-RYUDHWBXSA-N 1 0 219.328 3.073 20 10 BGCDRO Cc1cccc(C[NH+]2[C@H](C)CC[C@H]2C)c1O ZINC000180713978 642809435 /nfs/dbraw/zinc/80/94/35/642809435.db2.gz TZIMKUPEDPWDOB-VXGBXAGGSA-N 1 0 219.328 3.073 20 10 BGCDRO CCC(C)(CC)[NH2+]Cc1cc(F)ccc1O ZINC000180728012 633899102 /nfs/dbraw/zinc/89/91/02/633899102.db2.gz AVPMFDIIMZWERZ-UHFFFAOYSA-N 1 0 225.307 3.200 20 10 BGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H]2CCCC[C@H]12 ZINC000180763914 642811757 /nfs/dbraw/zinc/81/17/57/642811757.db2.gz IQVRCOFEVLOMCW-YUELXQCFSA-N 1 0 245.366 3.403 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]CCC1=CCCC1 ZINC000180882124 183274686 /nfs/dbraw/zinc/27/46/86/183274686.db2.gz BPIGWDQDXCSIGB-UHFFFAOYSA-N 1 0 235.302 3.121 20 10 BGCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)CC ZINC000181119213 633910048 /nfs/dbraw/zinc/91/00/48/633910048.db2.gz CNMVZTHBQUIVFL-LBPRGKRZSA-N 1 0 221.344 3.403 20 10 BGCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)CC ZINC000181119228 633909712 /nfs/dbraw/zinc/90/97/12/633909712.db2.gz CNMVZTHBQUIVFL-GFCCVEGCSA-N 1 0 221.344 3.403 20 10 BGCDRO CCC(C)(CC)[NH2+]Cc1cc(OC)ccc1O ZINC000182212234 168311726 /nfs/dbraw/zinc/31/17/26/168311726.db2.gz QEFFIJQBZBHJCG-UHFFFAOYSA-N 1 0 237.343 3.069 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC=C(C)C)c1 ZINC000182461535 175159925 /nfs/dbraw/zinc/15/99/25/175159925.db2.gz BVLMDOWYSYENRR-NSHDSACASA-N 1 0 235.327 3.018 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC=C(C)C)c1 ZINC000182461557 175160816 /nfs/dbraw/zinc/16/08/16/175160816.db2.gz BVLMDOWYSYENRR-LLVKDONJSA-N 1 0 235.327 3.018 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C=CCCC2)c1 ZINC000182464695 643024870 /nfs/dbraw/zinc/02/48/70/643024870.db2.gz AWRYSQQAZJTEOB-RYUDHWBXSA-N 1 0 247.338 3.160 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C=CCCC2)c1 ZINC000182464715 643025130 /nfs/dbraw/zinc/02/51/30/643025130.db2.gz AWRYSQQAZJTEOB-NEPJUHHUSA-N 1 0 247.338 3.160 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C=CCCC2)c1 ZINC000182464730 633947859 /nfs/dbraw/zinc/94/78/59/633947859.db2.gz AWRYSQQAZJTEOB-NWDGAFQWSA-N 1 0 247.338 3.160 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C=CCCC2)c1 ZINC000182464748 643023688 /nfs/dbraw/zinc/02/36/88/643023688.db2.gz AWRYSQQAZJTEOB-VXGBXAGGSA-N 1 0 247.338 3.160 20 10 BGCDRO Cc1cccc(C[NH2+]CCC2=CCCC2)c1O ZINC000182664199 179089661 /nfs/dbraw/zinc/08/96/61/179089661.db2.gz YRCQWIORIYWMOY-UHFFFAOYSA-N 1 0 231.339 3.291 20 10 BGCDRO C[N@H+](Cc1ccccc1)Cc1cc(F)ccc1O ZINC000183242471 643096667 /nfs/dbraw/zinc/09/66/67/643096667.db2.gz MTVJZTAPUQQHQP-UHFFFAOYSA-N 1 0 245.297 3.163 20 10 BGCDRO CCC[N@@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000183244187 643097225 /nfs/dbraw/zinc/09/72/25/643097225.db2.gz NRDKDSVNSVZBOH-UHFFFAOYSA-N 1 0 237.318 3.153 20 10 BGCDRO CC(C)[C@@H](C)[N@H+](Cc1ccccc1O)C1CC1 ZINC000183291836 643100148 /nfs/dbraw/zinc/10/01/48/643100148.db2.gz XYGIEMNAQJMUNL-GFCCVEGCSA-N 1 0 233.355 3.401 20 10 BGCDRO CC(C)[C@H](C)[N@H+](Cc1ccccc1O)C1CC1 ZINC000183291854 643101280 /nfs/dbraw/zinc/10/12/80/643101280.db2.gz XYGIEMNAQJMUNL-LBPRGKRZSA-N 1 0 233.355 3.401 20 10 BGCDRO CC[C@H]([NH2+]CC=C(C)C)c1ccccc1O ZINC000183347303 385753910 /nfs/dbraw/zinc/75/39/10/385753910.db2.gz QDZBJXBVPDILED-ZDUSSCGKSA-N 1 0 219.328 3.399 20 10 BGCDRO CC[C@@H]([NH2+]CC=C(C)C)c1ccccc1O ZINC000183347323 385754734 /nfs/dbraw/zinc/75/47/34/385754734.db2.gz QDZBJXBVPDILED-CYBMUJFWSA-N 1 0 219.328 3.399 20 10 BGCDRO Cc1cccc(C[N@H+](C)Cc2ccccc2)c1O ZINC000183369576 179065877 /nfs/dbraw/zinc/06/58/77/179065877.db2.gz VSRBPSPNSSMBOO-UHFFFAOYSA-N 1 0 241.334 3.333 20 10 BGCDRO CCC[N@@H+](Cc1cccc(C)c1O)CC1CC1 ZINC000183371496 643111324 /nfs/dbraw/zinc/11/13/24/643111324.db2.gz PQPGGPCYTYNWIV-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO CCC[N@@H+](Cc1cc(OC)ccc1O)CC1CC1 ZINC000183371578 169173123 /nfs/dbraw/zinc/17/31/23/169173123.db2.gz XEXZOZPBABNENN-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC(C)C1(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000183615802 643150578 /nfs/dbraw/zinc/15/05/78/643150578.db2.gz DXKWRVVKABWWOC-LBPRGKRZSA-N 1 0 233.355 3.479 20 10 BGCDRO CC(C)C1(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000183615819 643150447 /nfs/dbraw/zinc/15/04/47/643150447.db2.gz DXKWRVVKABWWOC-GFCCVEGCSA-N 1 0 233.355 3.479 20 10 BGCDRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccccc1O ZINC000183627376 387943296 /nfs/dbraw/zinc/94/32/96/387943296.db2.gz HPVHPLQPYAWGEH-NSHDSACASA-N 1 0 231.339 3.233 20 10 BGCDRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccccc1O ZINC000183627390 387943736 /nfs/dbraw/zinc/94/37/36/387943736.db2.gz HPVHPLQPYAWGEH-LLVKDONJSA-N 1 0 231.339 3.233 20 10 BGCDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1O ZINC000183722118 385791616 /nfs/dbraw/zinc/79/16/16/385791616.db2.gz UOMNCNOXPJNRRP-STQMWFEESA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1O ZINC000183722135 385791940 /nfs/dbraw/zinc/79/19/40/385791940.db2.gz UOMNCNOXPJNRRP-OLZOCXBDSA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1O ZINC000183722155 385793432 /nfs/dbraw/zinc/79/34/32/385793432.db2.gz UOMNCNOXPJNRRP-QWHCGFSZSA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1O ZINC000183722172 385791175 /nfs/dbraw/zinc/79/11/75/385791175.db2.gz UOMNCNOXPJNRRP-CHWSQXEVSA-N 1 0 249.354 3.002 20 10 BGCDRO CC/C=C/CC[N@H+](C)Cc1ccccc1O ZINC000184654807 187311082 /nfs/dbraw/zinc/31/10/82/187311082.db2.gz CUAFQPDZHMXICW-SNAWJCMRSA-N 1 0 219.328 3.180 20 10 BGCDRO CC/C=C/CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000184724113 643231834 /nfs/dbraw/zinc/23/18/34/643231834.db2.gz SMWUSBCXYVZWGD-FYJFLYSWSA-N 1 0 249.354 3.408 20 10 BGCDRO CC/C=C/CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000184724131 643232403 /nfs/dbraw/zinc/23/24/03/643232403.db2.gz SMWUSBCXYVZWGD-BTDICHCPSA-N 1 0 249.354 3.408 20 10 BGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)CC1 ZINC000184768773 643236157 /nfs/dbraw/zinc/23/61/57/643236157.db2.gz BNJMRNIZXHUZFB-OCCSQVGLSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2ccccc2O)CC1 ZINC000184768793 634017711 /nfs/dbraw/zinc/01/77/11/634017711.db2.gz BNJMRNIZXHUZFB-JSGCOSHPSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)CC1 ZINC000184768810 643237157 /nfs/dbraw/zinc/23/71/57/643237157.db2.gz BNJMRNIZXHUZFB-TZMCWYRMSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)CC1 ZINC000184768827 643235739 /nfs/dbraw/zinc/23/57/39/643235739.db2.gz BNJMRNIZXHUZFB-GXTWGEPZSA-N 1 0 233.355 3.451 20 10 BGCDRO CCC[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000184831400 643242469 /nfs/dbraw/zinc/24/24/69/643242469.db2.gz HMVYWDQDEGSPPC-NSHDSACASA-N 1 0 233.355 3.332 20 10 BGCDRO CCC[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000184831415 634021340 /nfs/dbraw/zinc/02/13/40/634021340.db2.gz HMVYWDQDEGSPPC-LLVKDONJSA-N 1 0 233.355 3.332 20 10 BGCDRO C[C@H]([NH2+]C1CC1)c1cc2c(cc1O)CCCC2 ZINC000184834270 384654085 /nfs/dbraw/zinc/65/40/85/384654085.db2.gz QCEOQDSMKCCQDL-JTQLQIEISA-N 1 0 231.339 3.084 20 10 BGCDRO C[C@@H]([NH2+]C1CC1)c1cc2c(cc1O)CCCC2 ZINC000184834293 384653720 /nfs/dbraw/zinc/65/37/20/384653720.db2.gz QCEOQDSMKCCQDL-SNVBAGLBSA-N 1 0 231.339 3.084 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CCCC3(CC3)C2)cc1C ZINC000184864047 643245300 /nfs/dbraw/zinc/24/53/00/643245300.db2.gz BHFLLGWULDPGTP-UHFFFAOYSA-N 1 0 245.366 3.385 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCC3(CC3)C2)c1 ZINC000184867443 634022834 /nfs/dbraw/zinc/02/28/34/634022834.db2.gz GPABJUBSELTEQL-UHFFFAOYSA-N 1 0 245.366 3.385 20 10 BGCDRO C[C@H]([NH2+]CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000184972458 643254929 /nfs/dbraw/zinc/25/49/29/643254929.db2.gz QLQVBHQLUAJRTK-NSHDSACASA-N 1 0 245.366 3.332 20 10 BGCDRO C[C@@H]([NH2+]CC1CC1)c1cc2c(cc1O)CCCC2 ZINC000184972474 643254607 /nfs/dbraw/zinc/25/46/07/643254607.db2.gz QLQVBHQLUAJRTK-LLVKDONJSA-N 1 0 245.366 3.332 20 10 BGCDRO CSCCCCC[NH2+]Cc1ccccc1O ZINC000185163859 643272090 /nfs/dbraw/zinc/27/20/90/643272090.db2.gz OZNAAOIZDUCUMN-UHFFFAOYSA-N 1 0 239.384 3.015 20 10 BGCDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000185921823 643414763 /nfs/dbraw/zinc/41/47/63/643414763.db2.gz DSGMMCYGJBPKKM-ZDUSSCGKSA-N 1 0 232.371 3.369 20 10 BGCDRO CC(C)=CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000185921844 643414411 /nfs/dbraw/zinc/41/44/11/643414411.db2.gz DSGMMCYGJBPKKM-CYBMUJFWSA-N 1 0 232.371 3.369 20 10 BGCDRO CCC1(C[NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000186093927 384821257 /nfs/dbraw/zinc/82/12/57/384821257.db2.gz AONVYHFTYSAYMN-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO CCC1(C[NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000186093947 384821480 /nfs/dbraw/zinc/82/14/80/384821480.db2.gz AONVYHFTYSAYMN-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO CCC1(C[NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000186094048 643440104 /nfs/dbraw/zinc/44/01/04/643440104.db2.gz KALWBEDMFDPRNE-JTQLQIEISA-N 1 0 237.318 3.372 20 10 BGCDRO CCC1(C[NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000186094065 643441014 /nfs/dbraw/zinc/44/10/14/643441014.db2.gz KALWBEDMFDPRNE-SNVBAGLBSA-N 1 0 237.318 3.372 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000186094208 175160089 /nfs/dbraw/zinc/16/00/89/175160089.db2.gz YQWKRBOJLPUPAN-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2(C)CCC2)c1 ZINC000186094225 175160852 /nfs/dbraw/zinc/16/08/52/175160852.db2.gz YQWKRBOJLPUPAN-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO C[C@H]([NH2+]CC1(C)CCC1)c1cc(F)ccc1O ZINC000186094333 643440737 /nfs/dbraw/zinc/44/07/37/643440737.db2.gz IYYZJVALOGJUDO-JTQLQIEISA-N 1 0 237.318 3.372 20 10 BGCDRO C[C@@H]([NH2+]CC1(C)CCC1)c1cc(F)ccc1O ZINC000186094350 643440341 /nfs/dbraw/zinc/44/03/41/643440341.db2.gz IYYZJVALOGJUDO-SNVBAGLBSA-N 1 0 237.318 3.372 20 10 BGCDRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1cc(F)ccc1O ZINC000186162235 386732353 /nfs/dbraw/zinc/73/23/53/386732353.db2.gz LBFAMGKUBZEDFQ-JTQLQIEISA-N 1 0 249.329 3.372 20 10 BGCDRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cc(F)ccc1O ZINC000186162252 386731143 /nfs/dbraw/zinc/73/11/43/386731143.db2.gz LBFAMGKUBZEDFQ-SNVBAGLBSA-N 1 0 249.329 3.372 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1O ZINC000186310178 385754885 /nfs/dbraw/zinc/75/48/85/385754885.db2.gz FSMDQIJGWUHIJM-OCCSQVGLSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@@H]([NH2+][C@@H]1CCCOCC1)c1ccccc1O ZINC000186310198 349420854 /nfs/dbraw/zinc/42/08/54/349420854.db2.gz FSMDQIJGWUHIJM-TZMCWYRMSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CCCOCC1)c1ccccc1O ZINC000186310213 171547607 /nfs/dbraw/zinc/54/76/07/171547607.db2.gz FSMDQIJGWUHIJM-JSGCOSHPSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@@H]([NH2+][C@H]1CCCOCC1)c1ccccc1O ZINC000186310233 349420831 /nfs/dbraw/zinc/42/08/31/349420831.db2.gz FSMDQIJGWUHIJM-GXTWGEPZSA-N 1 0 249.354 3.002 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000186407000 643698587 /nfs/dbraw/zinc/69/85/87/643698587.db2.gz MASDVTPDGFRJTK-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000186407015 643697527 /nfs/dbraw/zinc/69/75/27/643697527.db2.gz MASDVTPDGFRJTK-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO CN(C)c1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000186618140 644128243 /nfs/dbraw/zinc/12/82/43/644128243.db2.gz BNSICILWUZCXSY-UHFFFAOYSA-N 1 0 244.382 3.129 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCCC3(CC3)C2)c1O ZINC000186628510 179074114 /nfs/dbraw/zinc/07/41/14/179074114.db2.gz YQSLVCGOWKDVOH-UHFFFAOYSA-N 1 0 231.339 3.077 20 10 BGCDRO C[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000187516613 641295359 /nfs/dbraw/zinc/29/53/59/641295359.db2.gz OKXJWSWVELLTBY-GFCCVEGCSA-N 1 0 219.328 3.014 20 10 BGCDRO C[C@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000187516633 641294592 /nfs/dbraw/zinc/29/45/92/641294592.db2.gz OKXJWSWVELLTBY-LBPRGKRZSA-N 1 0 219.328 3.014 20 10 BGCDRO C[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000187516696 641295013 /nfs/dbraw/zinc/29/50/13/641295013.db2.gz MUMRGNLQJTUMPX-LLVKDONJSA-N 1 0 237.318 3.153 20 10 BGCDRO C[C@H]1CCCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000187516714 641295321 /nfs/dbraw/zinc/29/53/21/641295321.db2.gz MUMRGNLQJTUMPX-NSHDSACASA-N 1 0 237.318 3.153 20 10 BGCDRO COc1cccc(C[N@@H+]2CCCC[C@@H](C)C2)c1O ZINC000187518009 175256643 /nfs/dbraw/zinc/25/66/43/175256643.db2.gz UMKWDBJADCHXNG-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO COc1cccc(C[N@@H+]2CCCC[C@H](C)C2)c1O ZINC000187518030 175259025 /nfs/dbraw/zinc/25/90/25/175259025.db2.gz UMKWDBJADCHXNG-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO Cc1cccc(C[N@H+]2CCCC[C@H](C)C2)c1O ZINC000187519448 641301447 /nfs/dbraw/zinc/30/14/47/641301447.db2.gz AUQHEOAZNWVVIB-LBPRGKRZSA-N 1 0 233.355 3.323 20 10 BGCDRO Cc1cccc(C[N@H+]2CCCC[C@@H](C)C2)c1O ZINC000187519470 641301419 /nfs/dbraw/zinc/30/14/19/641301419.db2.gz AUQHEOAZNWVVIB-GFCCVEGCSA-N 1 0 233.355 3.323 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@@H](C)C2)c1 ZINC000187519697 641301245 /nfs/dbraw/zinc/30/12/45/641301245.db2.gz FNSVOTHMTWKAJY-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCCC[C@H](C)C2)c1 ZINC000187519716 641300453 /nfs/dbraw/zinc/30/04/53/641300453.db2.gz FNSVOTHMTWKAJY-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000187578193 171161149 /nfs/dbraw/zinc/16/11/49/171161149.db2.gz NYFYQBZNSFHVIJ-DGCLKSJQSA-N 1 0 219.328 3.013 20 10 BGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000187578210 386564627 /nfs/dbraw/zinc/56/46/27/386564627.db2.gz NYFYQBZNSFHVIJ-YPMHNXCESA-N 1 0 219.328 3.013 20 10 BGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000187578230 171156294 /nfs/dbraw/zinc/15/62/94/171156294.db2.gz NYFYQBZNSFHVIJ-WCQYABFASA-N 1 0 219.328 3.013 20 10 BGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccccc1O ZINC000187578252 386563223 /nfs/dbraw/zinc/56/32/23/386563223.db2.gz NYFYQBZNSFHVIJ-AAEUAGOBSA-N 1 0 219.328 3.013 20 10 BGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000187578278 641186311 /nfs/dbraw/zinc/18/63/11/641186311.db2.gz XCUOIJBCIWHPML-TZMCWYRMSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000187578295 641185742 /nfs/dbraw/zinc/18/57/42/641185742.db2.gz XCUOIJBCIWHPML-OCCSQVGLSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000187578317 641187478 /nfs/dbraw/zinc/18/74/78/641187478.db2.gz XCUOIJBCIWHPML-GXTWGEPZSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(C)ccc1O ZINC000187578341 641187614 /nfs/dbraw/zinc/18/76/14/641187614.db2.gz XCUOIJBCIWHPML-JSGCOSHPSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000187578366 641186149 /nfs/dbraw/zinc/18/61/49/641186149.db2.gz QLUJOOBTOQWNGW-ZWNOBZJWSA-N 1 0 237.318 3.152 20 10 BGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000187578385 641185916 /nfs/dbraw/zinc/18/59/16/641185916.db2.gz QLUJOOBTOQWNGW-MFKMUULPSA-N 1 0 237.318 3.152 20 10 BGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000187578405 641187569 /nfs/dbraw/zinc/18/75/69/641187569.db2.gz QLUJOOBTOQWNGW-GXFFZTMASA-N 1 0 237.318 3.152 20 10 BGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000187578423 641187360 /nfs/dbraw/zinc/18/73/60/641187360.db2.gz QLUJOOBTOQWNGW-GWCFXTLKSA-N 1 0 237.318 3.152 20 10 BGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000187580270 171161391 /nfs/dbraw/zinc/16/13/91/171161391.db2.gz HESCQITVGHWWHI-DGCLKSJQSA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000187580287 386564202 /nfs/dbraw/zinc/56/42/02/386564202.db2.gz HESCQITVGHWWHI-YPMHNXCESA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000187580302 171156338 /nfs/dbraw/zinc/15/63/38/171156338.db2.gz HESCQITVGHWWHI-WCQYABFASA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(OC)c1O ZINC000187580320 386563738 /nfs/dbraw/zinc/56/37/38/386563738.db2.gz HESCQITVGHWWHI-AAEUAGOBSA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C)c1O ZINC000187582800 631500841 /nfs/dbraw/zinc/50/08/41/631500841.db2.gz FCQLRBRXQFIUMW-BXUZGUMPSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cccc(C)c1O ZINC000187582820 631502081 /nfs/dbraw/zinc/50/20/81/631502081.db2.gz FCQLRBRXQFIUMW-RISCZKNCSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C)c1O ZINC000187582847 631502545 /nfs/dbraw/zinc/50/25/45/631502545.db2.gz FCQLRBRXQFIUMW-SMDDNHRTSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cccc(C)c1O ZINC000187582866 631502572 /nfs/dbraw/zinc/50/25/72/631502572.db2.gz FCQLRBRXQFIUMW-FZMZJTMJSA-N 1 0 233.355 3.321 20 10 BGCDRO C[C@H]([NH2+]CC1CCC1)c1ccc(F)c(F)c1[O-] ZINC000187668174 384971405 /nfs/dbraw/zinc/97/14/05/384971405.db2.gz NODQABJEBNORFQ-QMMMGPOBSA-N 1 0 241.281 3.121 20 10 BGCDRO C[C@@H]([NH2+]CC1CCC1)c1ccc(F)c(F)c1[O-] ZINC000187668194 384971820 /nfs/dbraw/zinc/97/18/20/384971820.db2.gz NODQABJEBNORFQ-MRVPVSSYSA-N 1 0 241.281 3.121 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1O ZINC000187845806 641729331 /nfs/dbraw/zinc/72/93/31/641729331.db2.gz NLLCTCSXRDNXDR-RYUDHWBXSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1O ZINC000187845859 641728872 /nfs/dbraw/zinc/72/88/72/641728872.db2.gz NLLCTCSXRDNXDR-NWDGAFQWSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1O ZINC000187845886 641729426 /nfs/dbraw/zinc/72/94/26/641729426.db2.gz NLLCTCSXRDNXDR-VXGBXAGGSA-N 1 0 249.354 3.000 20 10 BGCDRO CC(C)=CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000188444209 188348624 /nfs/dbraw/zinc/34/86/24/188348624.db2.gz DVYRTZKKTQYELV-GFCCVEGCSA-N 1 0 219.328 3.317 20 10 BGCDRO CC(C)=CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000188444234 188349017 /nfs/dbraw/zinc/34/90/17/188349017.db2.gz DVYRTZKKTQYELV-LBPRGKRZSA-N 1 0 219.328 3.317 20 10 BGCDRO CC(C)=CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000188447099 385050890 /nfs/dbraw/zinc/05/08/90/385050890.db2.gz KHHOTXZNBDNLEZ-JTQLQIEISA-N 1 0 223.291 3.148 20 10 BGCDRO CC(C)=CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000188447122 385050785 /nfs/dbraw/zinc/05/07/85/385050785.db2.gz KHHOTXZNBDNLEZ-SNVBAGLBSA-N 1 0 223.291 3.148 20 10 BGCDRO CC(C)=CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000188453006 385053913 /nfs/dbraw/zinc/05/39/13/385053913.db2.gz ZMACWJHORCLWRM-GFCCVEGCSA-N 1 0 219.328 3.317 20 10 BGCDRO CC(C)=CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000188453028 188001140 /nfs/dbraw/zinc/00/11/40/188001140.db2.gz ZMACWJHORCLWRM-LBPRGKRZSA-N 1 0 219.328 3.317 20 10 BGCDRO CC(C)C(C)(C)C[NH2+]Cc1ccccc1O ZINC000189472533 634181657 /nfs/dbraw/zinc/18/16/57/634181657.db2.gz UTRJFXDXAFPRPF-UHFFFAOYSA-N 1 0 221.344 3.164 20 10 BGCDRO CCC(C)(C)C[NH2+][C@@H](C)c1ccccc1O ZINC000189994545 168282272 /nfs/dbraw/zinc/28/22/72/168282272.db2.gz ZZJOPOOGJLNJOX-NSHDSACASA-N 1 0 221.344 3.479 20 10 BGCDRO CCC(C)(C)C[NH2+][C@H](C)c1ccccc1O ZINC000189994561 168282025 /nfs/dbraw/zinc/28/20/25/168282025.db2.gz ZZJOPOOGJLNJOX-LLVKDONJSA-N 1 0 221.344 3.479 20 10 BGCDRO CC(C)=CC[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000191614894 641934738 /nfs/dbraw/zinc/93/47/38/641934738.db2.gz CMHDDSDDAOUVOG-UHFFFAOYSA-N 1 0 239.746 3.410 20 10 BGCDRO CC(C)=CC[NH2+]Cc1cc(Cl)ccc1O ZINC000191629643 641934468 /nfs/dbraw/zinc/93/44/68/641934468.db2.gz SPIIVYJCKNSPKL-UHFFFAOYSA-N 1 0 225.719 3.101 20 10 BGCDRO CC(C)=CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000191631018 355757581 /nfs/dbraw/zinc/75/75/81/355757581.db2.gz WLRUZRITSVJXPM-UHFFFAOYSA-N 1 0 219.328 3.065 20 10 BGCDRO CCC(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000192026403 641958326 /nfs/dbraw/zinc/95/83/26/641958326.db2.gz ZITXUUSLDGJASZ-UHFFFAOYSA-N 1 0 225.307 3.057 20 10 BGCDRO Cc1cc(O)c(C[N@H+](C)C2CC2)cc1C(C)C ZINC000192562077 644164018 /nfs/dbraw/zinc/16/40/18/644164018.db2.gz VFDTUWHLASQLJC-UHFFFAOYSA-N 1 0 233.355 3.418 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000193213387 644223675 /nfs/dbraw/zinc/22/36/75/644223675.db2.gz WFGLPCPZPJEMEE-GFCCVEGCSA-N 1 0 245.366 3.113 20 10 BGCDRO C[C@H]1CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000193213401 644223397 /nfs/dbraw/zinc/22/33/97/644223397.db2.gz WFGLPCPZPJEMEE-LBPRGKRZSA-N 1 0 245.366 3.113 20 10 BGCDRO CC(C)[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000193951593 643084000 /nfs/dbraw/zinc/08/40/00/643084000.db2.gz LKBXXNBFWOFBJY-UHFFFAOYSA-N 1 0 232.371 3.125 20 10 BGCDRO CC(C)[NH+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000193951655 644289400 /nfs/dbraw/zinc/28/94/00/644289400.db2.gz ZBPDSBOZOUERLO-UHFFFAOYSA-N 1 0 234.387 3.371 20 10 BGCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000193988995 644291652 /nfs/dbraw/zinc/29/16/52/644291652.db2.gz BMZPGQAXOOKTQL-UHFFFAOYSA-N 1 0 232.371 3.127 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)C2CCCC2)cc1C ZINC000194570505 644328901 /nfs/dbraw/zinc/32/89/01/644328901.db2.gz MQJBJVVGSGUUBV-UHFFFAOYSA-N 1 0 233.355 3.383 20 10 BGCDRO COc1cc(C)cc(C[N@H+](C)C2CCCC2)c1O ZINC000194571582 644328988 /nfs/dbraw/zinc/32/89/88/644328988.db2.gz OMIPITJOVOHYBZ-UHFFFAOYSA-N 1 0 249.354 3.084 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)C2CCCC2)c1 ZINC000194571998 644328397 /nfs/dbraw/zinc/32/83/97/644328397.db2.gz FIFURJIIYLYMLS-UHFFFAOYSA-N 1 0 233.355 3.383 20 10 BGCDRO CCCN(Cc1ccco1)c1ccc(C[NH3+])cc1 ZINC000194977111 169178301 /nfs/dbraw/zinc/17/83/01/169178301.db2.gz SHLYUJREBLIRNO-UHFFFAOYSA-N 1 0 244.338 3.155 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)C1CC1 ZINC000194979210 644354019 /nfs/dbraw/zinc/35/40/19/644354019.db2.gz HWFQODUAERGBOT-LBPRGKRZSA-N 1 0 232.371 3.160 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)C1CC1 ZINC000194979228 644353966 /nfs/dbraw/zinc/35/39/66/644353966.db2.gz HWFQODUAERGBOT-GFCCVEGCSA-N 1 0 232.371 3.160 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)C1CC(C)C1 ZINC000194979688 644354671 /nfs/dbraw/zinc/35/46/71/644354671.db2.gz LHNKNFHOTDJPGI-UHFFFAOYSA-N 1 0 232.371 3.160 20 10 BGCDRO CN(C)c1ccc(C[N@H+](C)C2CCCC2)cc1 ZINC000195004500 711711699 /nfs/dbraw/zinc/71/16/99/711711699.db2.gz YZIINBCDVXFZEJ-UHFFFAOYSA-N 1 0 232.371 3.127 20 10 BGCDRO CC(C)[N@@H+](Cc1ccccc1O)CC1CCC1 ZINC000195079612 634350212 /nfs/dbraw/zinc/35/02/12/634350212.db2.gz RXOXYNVMUNBMIJ-UHFFFAOYSA-N 1 0 233.355 3.403 20 10 BGCDRO CC(C)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000211173950 591143023 /nfs/dbraw/zinc/14/30/23/591143023.db2.gz UZVNKIKOXJSVSQ-WAYWQWQTSA-N 1 0 232.371 3.011 20 10 BGCDRO CC1(C)CCC[N@H+](Cc2ccccc2O)CC1 ZINC000211397827 591164666 /nfs/dbraw/zinc/16/46/66/591164666.db2.gz KDHCTWJUHOTWRE-UHFFFAOYSA-N 1 0 233.355 3.404 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCCCC[C@H]2C)c1 ZINC000211415803 645837911 /nfs/dbraw/zinc/83/79/11/645837911.db2.gz ABWQHWAVTBWJRM-GFCCVEGCSA-N 1 0 249.354 3.165 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCCCC[C@@H]2C)c1 ZINC000211415872 645837759 /nfs/dbraw/zinc/83/77/59/645837759.db2.gz ABWQHWAVTBWJRM-LBPRGKRZSA-N 1 0 249.354 3.165 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCCCC[C@@H]2C)c1 ZINC000211433464 645837860 /nfs/dbraw/zinc/83/78/60/645837860.db2.gz DITQIHCRKSXQBF-ZDUSSCGKSA-N 1 0 233.355 3.465 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCCCC[C@H]2C)c1 ZINC000211433540 645837844 /nfs/dbraw/zinc/83/78/44/645837844.db2.gz DITQIHCRKSXQBF-CYBMUJFWSA-N 1 0 233.355 3.465 20 10 BGCDRO COc1cccc(C[N@@H+]2CCCCC[C@H]2C)c1O ZINC000211461872 591174875 /nfs/dbraw/zinc/17/48/75/591174875.db2.gz FOLVHKADAUHFAK-GFCCVEGCSA-N 1 0 249.354 3.165 20 10 BGCDRO COc1cccc(C[N@@H+]2CCCCC[C@@H]2C)c1O ZINC000211461940 591174898 /nfs/dbraw/zinc/17/48/98/591174898.db2.gz FOLVHKADAUHFAK-LBPRGKRZSA-N 1 0 249.354 3.165 20 10 BGCDRO CCC(C)(C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000211478592 168287244 /nfs/dbraw/zinc/28/72/44/168287244.db2.gz VDJHKKDTWDFNAP-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO CCC(C)(C)[N@H+](C)Cc1cccc(OC)c1O ZINC000211513272 591179465 /nfs/dbraw/zinc/17/94/65/591179465.db2.gz VOOLUESCNIDVJV-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H](C)CC2)c1 ZINC000211517895 591180418 /nfs/dbraw/zinc/18/04/18/591180418.db2.gz QHBZSVVZIWALSO-LBPRGKRZSA-N 1 0 233.355 3.323 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H](C)CC2)c1 ZINC000211517970 591180074 /nfs/dbraw/zinc/18/00/74/591180074.db2.gz QHBZSVVZIWALSO-GFCCVEGCSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000211524333 591194353 /nfs/dbraw/zinc/19/43/53/591194353.db2.gz MSURASZWSBGANO-CYBMUJFWSA-N 1 0 233.355 3.404 20 10 BGCDRO CC[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000211524415 591194512 /nfs/dbraw/zinc/19/45/12/591194512.db2.gz MSURASZWSBGANO-ZDUSSCGKSA-N 1 0 233.355 3.404 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(C)C)c1 ZINC000211625747 175157012 /nfs/dbraw/zinc/15/70/12/175157012.db2.gz HCIQBPSUALQKBT-AWEZNQCLSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(C)C)c1 ZINC000211625820 175157018 /nfs/dbraw/zinc/15/70/18/175157018.db2.gz HCIQBPSUALQKBT-CQSZACIVSA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@@H]2C(C)C)c1 ZINC000211648066 591228368 /nfs/dbraw/zinc/22/83/68/591228368.db2.gz ROKKHLCRIQGHIS-CQSZACIVSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCC[C@H]2C(C)C)c1 ZINC000211648143 591228137 /nfs/dbraw/zinc/22/81/37/591228137.db2.gz ROKKHLCRIQGHIS-AWEZNQCLSA-N 1 0 233.355 3.321 20 10 BGCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C(C)C)c1O ZINC000211682967 175258426 /nfs/dbraw/zinc/25/84/26/175258426.db2.gz GBPSXIOOTZGJES-ZDUSSCGKSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2C(C)C)c1O ZINC000211683043 175258835 /nfs/dbraw/zinc/25/88/35/175258835.db2.gz GBPSXIOOTZGJES-CYBMUJFWSA-N 1 0 249.354 3.021 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccccc1O ZINC000216226446 592014730 /nfs/dbraw/zinc/01/47/30/592014730.db2.gz VCUGTYAYVXFNST-DMDPSCGWSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccccc1O ZINC000216226493 592015038 /nfs/dbraw/zinc/01/50/38/592015038.db2.gz VCUGTYAYVXFNST-LOWVWBTDSA-N 1 0 219.328 3.231 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1 ZINC000217835552 592149028 /nfs/dbraw/zinc/14/90/28/592149028.db2.gz QXRMLYCESBXIAT-NEPJUHHUSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1 ZINC000217835636 592149041 /nfs/dbraw/zinc/14/90/41/592149041.db2.gz QXRMLYCESBXIAT-RYUDHWBXSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c1O ZINC000217836249 175258812 /nfs/dbraw/zinc/25/88/12/175258812.db2.gz SWJCEDHCGDXWIN-NEPJUHHUSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c1O ZINC000217836325 175258214 /nfs/dbraw/zinc/25/82/14/175258214.db2.gz SWJCEDHCGDXWIN-RYUDHWBXSA-N 1 0 249.354 3.021 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000217839314 177355825 /nfs/dbraw/zinc/35/58/25/177355825.db2.gz WBPYSVQZGZMMSX-NEPJUHHUSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000217839395 177165587 /nfs/dbraw/zinc/16/55/87/177165587.db2.gz WBPYSVQZGZMMSX-RYUDHWBXSA-N 1 0 219.328 3.013 20 10 BGCDRO COc1cccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)c1O ZINC000217842383 175259908 /nfs/dbraw/zinc/25/99/08/175259908.db2.gz SRJVWTFPWZDEOA-NEPJUHHUSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)c1O ZINC000217842483 175259689 /nfs/dbraw/zinc/25/96/89/175259689.db2.gz SRJVWTFPWZDEOA-RYUDHWBXSA-N 1 0 249.354 3.021 20 10 BGCDRO CC(C)C(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000218978015 711748034 /nfs/dbraw/zinc/74/80/34/711748034.db2.gz MNAQGFRXPQTRRI-UHFFFAOYSA-N 1 0 247.382 3.393 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)C(C)C)c1 ZINC000218978631 592202446 /nfs/dbraw/zinc/20/24/46/592202446.db2.gz DPWLMUHUMDRKBP-UHFFFAOYSA-N 1 0 235.371 3.472 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000219816775 592251206 /nfs/dbraw/zinc/25/12/06/592251206.db2.gz HMCCUEVNBLMOSZ-OLZOCXBDSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000219816851 592251060 /nfs/dbraw/zinc/25/10/60/592251060.db2.gz HMCCUEVNBLMOSZ-STQMWFEESA-N 1 0 233.355 3.179 20 10 BGCDRO Oc1ccccc1C[NH2+]C/C=C\c1ccccc1 ZINC000220114718 592279797 /nfs/dbraw/zinc/27/97/97/592279797.db2.gz UXXUKDBNZGZAFY-TWGQIWQCSA-N 1 0 239.318 3.195 20 10 BGCDRO CC(C)C(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000220931086 592379415 /nfs/dbraw/zinc/37/94/15/592379415.db2.gz WGCPMBYTNDNLDR-UHFFFAOYSA-N 1 0 239.334 3.303 20 10 BGCDRO Cc1cccc(C[NH2+]CC(C)(C)C(C)C)c1O ZINC000220931753 592379187 /nfs/dbraw/zinc/37/91/87/592379187.db2.gz AXEUYSVZMOSENW-UHFFFAOYSA-N 1 0 235.371 3.472 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000222039824 592465957 /nfs/dbraw/zinc/46/59/57/592465957.db2.gz XZUPAJUEFYKOPG-OCCSQVGLSA-N 1 0 246.398 3.449 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000222039877 592465905 /nfs/dbraw/zinc/46/59/05/592465905.db2.gz XZUPAJUEFYKOPG-JSGCOSHPSA-N 1 0 246.398 3.449 20 10 BGCDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000222039946 592466711 /nfs/dbraw/zinc/46/67/11/592466711.db2.gz XZUPAJUEFYKOPG-TZMCWYRMSA-N 1 0 246.398 3.449 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccc(N(C)C)cc1 ZINC000222039999 592466058 /nfs/dbraw/zinc/46/60/58/592466058.db2.gz XZUPAJUEFYKOPG-GXTWGEPZSA-N 1 0 246.398 3.449 20 10 BGCDRO C[C@@H]([NH2+]CC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000222182915 592471029 /nfs/dbraw/zinc/47/10/29/592471029.db2.gz GJVPHXOERMDXHY-GFCCVEGCSA-N 1 0 232.371 3.203 20 10 BGCDRO C[C@H]([NH2+]CC1(C)CC1)c1ccc(N(C)C)cc1 ZINC000222182964 592470839 /nfs/dbraw/zinc/47/08/39/592470839.db2.gz GJVPHXOERMDXHY-LBPRGKRZSA-N 1 0 232.371 3.203 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+]CC2(C)CC2)cc1 ZINC000224177655 640602149 /nfs/dbraw/zinc/60/21/49/640602149.db2.gz YSZSGXNZHICLLS-UHFFFAOYSA-N 1 0 246.398 3.423 20 10 BGCDRO CCC1(C[NH2+]Cc2cc(OC)ccc2O)CCC1 ZINC000224901550 387938339 /nfs/dbraw/zinc/93/83/39/387938339.db2.gz RZSDTXQZHWYABB-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO CCCC1(C[NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000224909981 398338935 /nfs/dbraw/zinc/33/89/35/398338935.db2.gz JYSHAEMGZROUNC-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)[C@@H](C)C1 ZINC000226163847 640737264 /nfs/dbraw/zinc/73/72/64/640737264.db2.gz WASSGIHDDLBBTQ-MBNYWOFBSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)[C@@H](C)C1 ZINC000226163859 635426704 /nfs/dbraw/zinc/42/67/04/635426704.db2.gz WASSGIHDDLBBTQ-DYEKYZERSA-N 1 0 233.355 3.307 20 10 BGCDRO COc1ccc(C[NH2+]C[C@@H]2CC2(C)C)cc1C ZINC000226254604 635431982 /nfs/dbraw/zinc/43/19/82/635431982.db2.gz TUYHOPCTEYBASF-ZDUSSCGKSA-N 1 0 233.355 3.139 20 10 BGCDRO COc1ccc(C[NH2+]C[C@H]2CC2(C)C)cc1C ZINC000226254613 635430673 /nfs/dbraw/zinc/43/06/73/635430673.db2.gz TUYHOPCTEYBASF-CYBMUJFWSA-N 1 0 233.355 3.139 20 10 BGCDRO CC1(C)C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000226255805 640744450 /nfs/dbraw/zinc/74/44/50/640744450.db2.gz WVVZFIMXASATJK-SNVBAGLBSA-N 1 0 239.746 3.181 20 10 BGCDRO CC1(C)C[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000226255814 640743045 /nfs/dbraw/zinc/74/30/45/640743045.db2.gz WVVZFIMXASATJK-JTQLQIEISA-N 1 0 239.746 3.181 20 10 BGCDRO Oc1ccc(F)cc1C[NH+]1CCCCCCC1 ZINC000226561622 640776592 /nfs/dbraw/zinc/77/65/92/640776592.db2.gz BIMZJCRWSYLQPS-UHFFFAOYSA-N 1 0 237.318 3.297 20 10 BGCDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000226562237 167367813 /nfs/dbraw/zinc/36/78/13/167367813.db2.gz GZYMYOLUHUDGEI-SNVBAGLBSA-N 1 0 225.307 3.008 20 10 BGCDRO CC(C)[C@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000226562243 188357798 /nfs/dbraw/zinc/35/77/98/188357798.db2.gz GZYMYOLUHUDGEI-JTQLQIEISA-N 1 0 225.307 3.008 20 10 BGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000226562286 635437674 /nfs/dbraw/zinc/43/76/74/635437674.db2.gz QMKYPIMKSKMGRV-ZDUSSCGKSA-N 1 0 237.318 3.152 20 10 BGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000226562293 635439143 /nfs/dbraw/zinc/43/91/43/635439143.db2.gz QMKYPIMKSKMGRV-CYBMUJFWSA-N 1 0 237.318 3.152 20 10 BGCDRO CCC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000226562316 640776368 /nfs/dbraw/zinc/77/63/68/640776368.db2.gz SSNGRPIHUNIBEY-SNVBAGLBSA-N 1 0 225.307 3.152 20 10 BGCDRO CCC[C@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000226562323 640776250 /nfs/dbraw/zinc/77/62/50/640776250.db2.gz SSNGRPIHUNIBEY-JTQLQIEISA-N 1 0 225.307 3.152 20 10 BGCDRO C[C@@H]([N@H+](C)Cc1cc(F)ccc1O)C(C)(C)C ZINC000226562358 640775379 /nfs/dbraw/zinc/77/53/79/640775379.db2.gz XXOWKBWNTRZFGG-SNVBAGLBSA-N 1 0 239.334 3.398 20 10 BGCDRO C[C@H]([N@H+](C)Cc1cc(F)ccc1O)C(C)(C)C ZINC000226562364 635438463 /nfs/dbraw/zinc/43/84/63/635438463.db2.gz XXOWKBWNTRZFGG-JTQLQIEISA-N 1 0 239.334 3.398 20 10 BGCDRO CCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000226562621 640776328 /nfs/dbraw/zinc/77/63/28/640776328.db2.gz UCYQKHGMADJFOH-UHFFFAOYSA-N 1 0 237.318 3.153 20 10 BGCDRO C[N@H+](Cc1cc(F)ccc1O)CC(C)(C)C ZINC000226562628 635436906 /nfs/dbraw/zinc/43/69/06/635436906.db2.gz WSLBKRWTQNCRHN-UHFFFAOYSA-N 1 0 225.307 3.009 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000226563820 640776842 /nfs/dbraw/zinc/77/68/42/640776842.db2.gz KIEDCQKMHCZLTK-FZMZJTMJSA-N 1 0 249.329 3.296 20 10 BGCDRO CC1(C)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000226564316 640776916 /nfs/dbraw/zinc/77/69/16/640776916.db2.gz NWSHRBNREZIFIK-UHFFFAOYSA-N 1 0 237.318 3.153 20 10 BGCDRO CCC(C)(C)[N@H+](C)Cc1cc(F)ccc1O ZINC000226564848 168287315 /nfs/dbraw/zinc/28/73/15/168287315.db2.gz HJZGVUQZAWAIOS-UHFFFAOYSA-N 1 0 225.307 3.152 20 10 BGCDRO C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000226565196 640776295 /nfs/dbraw/zinc/77/62/95/640776295.db2.gz XDFIGYUBQVJTJP-LLVKDONJSA-N 1 0 237.318 3.296 20 10 BGCDRO C[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1O ZINC000226565199 640775775 /nfs/dbraw/zinc/77/57/75/640775775.db2.gz XDFIGYUBQVJTJP-NSHDSACASA-N 1 0 237.318 3.296 20 10 BGCDRO CC[C@@H](C)C[N@H+](CC)Cc1cc(F)ccc1O ZINC000226568528 640773867 /nfs/dbraw/zinc/77/38/67/640773867.db2.gz CPPSNJHZAGXZNY-LLVKDONJSA-N 1 0 239.334 3.399 20 10 BGCDRO CC[C@H](C)C[N@H+](CC)Cc1cc(F)ccc1O ZINC000226568535 640774652 /nfs/dbraw/zinc/77/46/52/640774652.db2.gz CPPSNJHZAGXZNY-NSHDSACASA-N 1 0 239.334 3.399 20 10 BGCDRO CC(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000226576667 640776549 /nfs/dbraw/zinc/77/65/49/640776549.db2.gz XGLPXNGLDOHQKK-LLVKDONJSA-N 1 0 237.318 3.009 20 10 BGCDRO CC(C)CC[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226582190 640775693 /nfs/dbraw/zinc/77/56/93/640775693.db2.gz DNVXZCRDPWOUKA-LLVKDONJSA-N 1 0 239.334 3.446 20 10 BGCDRO CC(C)CC[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226582192 640778016 /nfs/dbraw/zinc/77/80/16/640778016.db2.gz DNVXZCRDPWOUKA-NSHDSACASA-N 1 0 239.334 3.446 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]CC1CCCCC1 ZINC000226582199 640778563 /nfs/dbraw/zinc/77/85/63/640778563.db2.gz ACNBTOMPMRGTSY-UHFFFAOYSA-N 1 0 237.318 3.201 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000226583751 640778097 /nfs/dbraw/zinc/77/80/97/640778097.db2.gz UJOCAUAGJDETFN-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO CCC(CC)C[NH2+]Cc1cc(F)ccc1O ZINC000226583796 640779037 /nfs/dbraw/zinc/77/90/37/640779037.db2.gz YJHLAMVCCCNGOB-UHFFFAOYSA-N 1 0 225.307 3.057 20 10 BGCDRO CC(C)CCC[NH2+]Cc1cc(F)ccc1O ZINC000226583820 640778435 /nfs/dbraw/zinc/77/84/35/640778435.db2.gz STQYTFIXCMXKJU-UHFFFAOYSA-N 1 0 225.307 3.057 20 10 BGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226583879 635438084 /nfs/dbraw/zinc/43/80/84/635438084.db2.gz KTLHSCMMIMCZJK-ZWNOBZJWSA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226583881 640778482 /nfs/dbraw/zinc/77/84/82/640778482.db2.gz KTLHSCMMIMCZJK-GXFFZTMASA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226583883 640778659 /nfs/dbraw/zinc/77/86/59/640778659.db2.gz KTLHSCMMIMCZJK-MFKMUULPSA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226583886 640778223 /nfs/dbraw/zinc/77/82/23/640778223.db2.gz KTLHSCMMIMCZJK-GWCFXTLKSA-N 1 0 237.318 3.200 20 10 BGCDRO CC(C)(C)CC[NH2+]Cc1cc(F)ccc1O ZINC000226583992 640778109 /nfs/dbraw/zinc/77/81/09/640778109.db2.gz PZDQEMMIFFKYIN-UHFFFAOYSA-N 1 0 225.307 3.057 20 10 BGCDRO CCC[C@@H](CC)[NH2+]Cc1cc(F)ccc1O ZINC000226607508 635436694 /nfs/dbraw/zinc/43/66/94/635436694.db2.gz WUCQHPCYWINSOK-GFCCVEGCSA-N 1 0 225.307 3.200 20 10 BGCDRO CCC[C@H](CC)[NH2+]Cc1cc(F)ccc1O ZINC000226607511 635436579 /nfs/dbraw/zinc/43/65/79/635436579.db2.gz WUCQHPCYWINSOK-LBPRGKRZSA-N 1 0 225.307 3.200 20 10 BGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(C)(C)C ZINC000226607987 640778404 /nfs/dbraw/zinc/77/84/04/640778404.db2.gz IFPNYVDPYLDYSO-SECBINFHSA-N 1 0 225.307 3.056 20 10 BGCDRO CC1(C[NH2+]Cc2cc(F)ccc2O)CCCC1 ZINC000226608087 640778801 /nfs/dbraw/zinc/77/88/01/640778801.db2.gz KBPSLNGNHDZYDL-UHFFFAOYSA-N 1 0 237.318 3.201 20 10 BGCDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)C(C)(C)C ZINC000226609382 640777760 /nfs/dbraw/zinc/77/77/60/640777760.db2.gz JYEMEMWOXMOZEU-JTQLQIEISA-N 1 0 239.334 3.303 20 10 BGCDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)C(C)(C)C ZINC000226609386 640778309 /nfs/dbraw/zinc/77/83/09/640778309.db2.gz JYEMEMWOXMOZEU-SNVBAGLBSA-N 1 0 239.334 3.303 20 10 BGCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000226609584 640777896 /nfs/dbraw/zinc/77/78/96/640777896.db2.gz AMGNVVBOXVJXDN-SNVBAGLBSA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCCC1 ZINC000226609589 640777643 /nfs/dbraw/zinc/77/76/43/640777643.db2.gz AMGNVVBOXVJXDN-JTQLQIEISA-N 1 0 237.318 3.200 20 10 BGCDRO CC[C@@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226612595 640780046 /nfs/dbraw/zinc/78/00/46/640780046.db2.gz HMBPCICDJZNIBG-GHMZBOCLSA-N 1 0 239.334 3.446 20 10 BGCDRO CC[C@H](C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226612603 640780584 /nfs/dbraw/zinc/78/05/84/640780584.db2.gz HMBPCICDJZNIBG-WDEREUQCSA-N 1 0 239.334 3.446 20 10 BGCDRO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226612606 640779943 /nfs/dbraw/zinc/77/99/43/640779943.db2.gz HMBPCICDJZNIBG-MNOVXSKESA-N 1 0 239.334 3.446 20 10 BGCDRO CC[C@H](C)C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226612612 640779904 /nfs/dbraw/zinc/77/99/04/640779904.db2.gz HMBPCICDJZNIBG-QWRGUYRKSA-N 1 0 239.334 3.446 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]CC(C1CC1)C1CC1 ZINC000226612875 640780238 /nfs/dbraw/zinc/78/02/38/640780238.db2.gz SRRDLSYHYYDVIB-UHFFFAOYSA-N 1 0 249.329 3.057 20 10 BGCDRO CC(C)C1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226613554 635435825 /nfs/dbraw/zinc/43/58/25/635435825.db2.gz UUTSVRABVVZHFO-UHFFFAOYSA-N 1 0 237.318 3.057 20 10 BGCDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226613901 640780393 /nfs/dbraw/zinc/78/03/93/640780393.db2.gz SATFAZQIZBMEJW-ZDUSSCGKSA-N 1 0 237.318 3.200 20 10 BGCDRO CC1(C)CCC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226613907 635436877 /nfs/dbraw/zinc/43/68/77/635436877.db2.gz SATFAZQIZBMEJW-CYBMUJFWSA-N 1 0 237.318 3.200 20 10 BGCDRO CCC1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000226614161 640780226 /nfs/dbraw/zinc/78/02/26/640780226.db2.gz UIYHHNMEXYDQJM-UHFFFAOYSA-N 1 0 237.318 3.201 20 10 BGCDRO CCCC1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226615788 640779950 /nfs/dbraw/zinc/77/99/50/640779950.db2.gz QQSFZZKKPCLMCJ-UHFFFAOYSA-N 1 0 237.318 3.201 20 10 BGCDRO CC(C)C[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226617035 635437601 /nfs/dbraw/zinc/43/76/01/635437601.db2.gz VQLUAPYBSLMQGN-SNVBAGLBSA-N 1 0 225.307 3.056 20 10 BGCDRO CC(C)C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226617039 640780528 /nfs/dbraw/zinc/78/05/28/640780528.db2.gz VQLUAPYBSLMQGN-JTQLQIEISA-N 1 0 225.307 3.056 20 10 BGCDRO CC1(C)CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226617653 640779809 /nfs/dbraw/zinc/77/98/09/640779809.db2.gz KFHIDCDDXASPGC-GFCCVEGCSA-N 1 0 237.318 3.200 20 10 BGCDRO CC1(C)CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226617662 640780012 /nfs/dbraw/zinc/78/00/12/640780012.db2.gz KFHIDCDDXASPGC-LBPRGKRZSA-N 1 0 237.318 3.200 20 10 BGCDRO CCOc1cccc(C[NH2+]CC2(CC)CC2)c1O ZINC000226785077 386391106 /nfs/dbraw/zinc/39/11/06/386391106.db2.gz HUFLCXNVUVXCBZ-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO CCOc1cccc(C[NH2+]CC2(C)CCC2)c1O ZINC000226787726 386390671 /nfs/dbraw/zinc/39/06/71/386390671.db2.gz BWNJJYVMEOMKDZ-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO Cc1ccc(F)c(C[NH2+]Cc2ccccc2O)c1 ZINC000227286349 640825353 /nfs/dbraw/zinc/82/53/53/640825353.db2.gz UZUCFTCIPKINSG-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO Oc1ccccc1C[NH2+]CCCC1CCCC1 ZINC000227435813 640833375 /nfs/dbraw/zinc/83/33/75/640833375.db2.gz BOYBMSIIBPEOPQ-UHFFFAOYSA-N 1 0 233.355 3.452 20 10 BGCDRO CC(C)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000227832191 640850541 /nfs/dbraw/zinc/85/05/41/640850541.db2.gz JNSSXVXLAJOHIB-UHFFFAOYSA-N 1 0 245.366 3.147 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CC2(C(C)C)CC2)c1 ZINC000227833241 632443458 /nfs/dbraw/zinc/44/34/58/632443458.db2.gz ORMLPJAPGPXBCT-UHFFFAOYSA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000228172154 635456856 /nfs/dbraw/zinc/45/68/56/635456856.db2.gz LIIMTGFMJSSMMH-DZGCQCFKSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000228172170 635455946 /nfs/dbraw/zinc/45/59/46/635455946.db2.gz LIIMTGFMJSSMMH-UKRRQHHQSA-N 1 0 245.366 3.465 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000228172294 350531886 /nfs/dbraw/zinc/53/18/86/350531886.db2.gz HIHVMJRQEJHGOA-GXTWGEPZSA-N 1 0 231.339 3.157 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000228172307 136278459 /nfs/dbraw/zinc/27/84/59/136278459.db2.gz HIHVMJRQEJHGOA-TZMCWYRMSA-N 1 0 231.339 3.157 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1O ZINC000228175107 711833908 /nfs/dbraw/zinc/83/39/08/711833908.db2.gz UGBLVNFEKFAOOB-DZGCQCFKSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1O ZINC000228175117 711833970 /nfs/dbraw/zinc/83/39/70/711833970.db2.gz UGBLVNFEKFAOOB-UKRRQHHQSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1 ZINC000228176785 711834002 /nfs/dbraw/zinc/83/40/02/711834002.db2.gz MADASBWVSCJTOW-CHWSQXEVSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1 ZINC000228176796 635459672 /nfs/dbraw/zinc/45/96/72/635459672.db2.gz MADASBWVSCJTOW-QWHCGFSZSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1cccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c1O ZINC000228177292 635458882 /nfs/dbraw/zinc/45/88/82/635458882.db2.gz FYQNMAZMUAGYGD-DGCLKSJQSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1cccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c1O ZINC000228177304 711834041 /nfs/dbraw/zinc/83/40/41/711834041.db2.gz FYQNMAZMUAGYGD-WCQYABFASA-N 1 0 233.355 3.321 20 10 BGCDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000228408356 711834732 /nfs/dbraw/zinc/83/47/32/711834732.db2.gz POUGYGRGLCUYDJ-BZPMIXESSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000228408370 711834642 /nfs/dbraw/zinc/83/46/42/711834642.db2.gz POUGYGRGLCUYDJ-DYEKYZERSA-N 1 0 233.355 3.307 20 10 BGCDRO COc1ccc(C[NH2+]CC2(C3CC3)CC2)cc1C ZINC000228717524 711835808 /nfs/dbraw/zinc/83/58/08/711835808.db2.gz OCCULKJPGSTGFE-UHFFFAOYSA-N 1 0 245.366 3.283 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccc1O ZINC000228796967 635464420 /nfs/dbraw/zinc/46/44/20/635464420.db2.gz LAZDZTQFPPXRRP-MNOVXSKESA-N 1 0 219.328 3.089 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccc1O ZINC000228796982 640896135 /nfs/dbraw/zinc/89/61/35/640896135.db2.gz LAZDZTQFPPXRRP-QWRGUYRKSA-N 1 0 219.328 3.089 20 10 BGCDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccccc1O ZINC000228796992 635466066 /nfs/dbraw/zinc/46/60/66/635466066.db2.gz LAZDZTQFPPXRRP-GHMZBOCLSA-N 1 0 219.328 3.089 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccccc1O ZINC000228797004 635465240 /nfs/dbraw/zinc/46/52/40/635465240.db2.gz LAZDZTQFPPXRRP-WDEREUQCSA-N 1 0 219.328 3.089 20 10 BGCDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000228839100 711836819 /nfs/dbraw/zinc/83/68/19/711836819.db2.gz POUGYGRGLCUYDJ-YRGRVCCFSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000228839122 711836824 /nfs/dbraw/zinc/83/68/24/711836824.db2.gz POUGYGRGLCUYDJ-MBNYWOFBSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000228907968 640904574 /nfs/dbraw/zinc/90/45/74/640904574.db2.gz QVLNQZFYYYBJAB-IJLUTSLNSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000228907984 640904727 /nfs/dbraw/zinc/90/47/27/640904727.db2.gz QVLNQZFYYYBJAB-UTUOFQBUSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1cc(F)ccc1O ZINC000228912880 640905025 /nfs/dbraw/zinc/90/50/25/640905025.db2.gz SGWDYKLULNRYOS-CKYFFXLPSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1cc(F)ccc1O ZINC000228912897 640904705 /nfs/dbraw/zinc/90/47/05/640904705.db2.gz SGWDYKLULNRYOS-FOGDFJRCSA-N 1 0 237.318 3.371 20 10 BGCDRO CC(C)C(C[NH2+]Cc1ccccc1O)C(C)C ZINC000229533429 640963980 /nfs/dbraw/zinc/96/39/80/640963980.db2.gz NYEMIWJVDBCYJY-UHFFFAOYSA-N 1 0 235.371 3.410 20 10 BGCDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000229553171 640966956 /nfs/dbraw/zinc/96/69/56/640966956.db2.gz HNLPPZUYFFYMLU-JHJVBQTASA-N 1 0 233.355 3.259 20 10 BGCDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2O)C1 ZINC000229553184 640966666 /nfs/dbraw/zinc/96/66/66/640966666.db2.gz HNLPPZUYFFYMLU-FRRDWIJNSA-N 1 0 233.355 3.259 20 10 BGCDRO CC[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccc1O ZINC000229561537 640968021 /nfs/dbraw/zinc/96/80/21/640968021.db2.gz KGWBCCSBMPEDDT-WCQYABFASA-N 1 0 233.355 3.479 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1CC1(C)C)c1ccccc1O ZINC000229561543 640968145 /nfs/dbraw/zinc/96/81/45/640968145.db2.gz KGWBCCSBMPEDDT-AAEUAGOBSA-N 1 0 233.355 3.479 20 10 BGCDRO CC[C@@H]([NH2+]C[C@H]1CC1(C)C)c1ccccc1O ZINC000229561553 640967962 /nfs/dbraw/zinc/96/79/62/640967962.db2.gz KGWBCCSBMPEDDT-DGCLKSJQSA-N 1 0 233.355 3.479 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccccc1O ZINC000229561564 640967849 /nfs/dbraw/zinc/96/78/49/640967849.db2.gz KGWBCCSBMPEDDT-YPMHNXCESA-N 1 0 233.355 3.479 20 10 BGCDRO CC[C@@H]([NH2+]CC1(C)CC1)c1ccccc1O ZINC000229563093 640967887 /nfs/dbraw/zinc/96/78/87/640967887.db2.gz LBPSUCUVRORASO-GFCCVEGCSA-N 1 0 219.328 3.233 20 10 BGCDRO CC[C@H]([NH2+]CC1(C)CC1)c1ccccc1O ZINC000229563102 640967726 /nfs/dbraw/zinc/96/77/26/640967726.db2.gz LBPSUCUVRORASO-LBPRGKRZSA-N 1 0 219.328 3.233 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1ccccc1O ZINC000229565654 385634621 /nfs/dbraw/zinc/63/46/21/385634621.db2.gz NWUAFRDBFLHTPJ-SCRDCRAPSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1ccccc1O ZINC000229565669 385635094 /nfs/dbraw/zinc/63/50/94/385635094.db2.gz NWUAFRDBFLHTPJ-OBJOEFQTSA-N 1 0 249.354 3.000 20 10 BGCDRO CC1(C[NH2+]Cc2ccccc2O)CCCCC1 ZINC000229587914 711838436 /nfs/dbraw/zinc/83/84/36/711838436.db2.gz YQOBWJWOGDMBEM-UHFFFAOYSA-N 1 0 233.355 3.452 20 10 BGCDRO CCCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000230157504 641033225 /nfs/dbraw/zinc/03/32/25/641033225.db2.gz JYCNEKODLHEFPB-UHFFFAOYSA-N 1 0 245.366 3.291 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c1 ZINC000230401832 641053768 /nfs/dbraw/zinc/05/37/68/641053768.db2.gz GCCCEYLCCKZJEO-DGCLKSJQSA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](C)C2)c1 ZINC000230401835 641053883 /nfs/dbraw/zinc/05/38/83/641053883.db2.gz GCCCEYLCCKZJEO-YPMHNXCESA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](C)C2)c1 ZINC000230401836 641053507 /nfs/dbraw/zinc/05/35/07/641053507.db2.gz GCCCEYLCCKZJEO-WCQYABFASA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](C)C2)c1 ZINC000230401839 641054243 /nfs/dbraw/zinc/05/42/43/641054243.db2.gz GCCCEYLCCKZJEO-AAEUAGOBSA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)c1O ZINC000230401853 641054023 /nfs/dbraw/zinc/05/40/23/641054023.db2.gz APOGTUQPFMVHPP-DGCLKSJQSA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)c1O ZINC000230401854 641054142 /nfs/dbraw/zinc/05/41/42/641054142.db2.gz APOGTUQPFMVHPP-YPMHNXCESA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)c1O ZINC000230401857 641054320 /nfs/dbraw/zinc/05/43/20/641054320.db2.gz APOGTUQPFMVHPP-WCQYABFASA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@H]2CC[C@H](C)C2)c1O ZINC000230401860 641053539 /nfs/dbraw/zinc/05/35/39/641053539.db2.gz APOGTUQPFMVHPP-AAEUAGOBSA-N 1 0 233.355 3.226 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000230404468 641053655 /nfs/dbraw/zinc/05/36/55/641053655.db2.gz ZQEZFSGPZDQMAF-JHJVBQTASA-N 1 0 233.355 3.479 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000230404469 641054013 /nfs/dbraw/zinc/05/40/13/641054013.db2.gz ZQEZFSGPZDQMAF-FRRDWIJNSA-N 1 0 233.355 3.479 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccccc1O ZINC000230404474 641054254 /nfs/dbraw/zinc/05/42/54/641054254.db2.gz ZQEZFSGPZDQMAF-AGIUHOORSA-N 1 0 233.355 3.479 20 10 BGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000230407377 641050260 /nfs/dbraw/zinc/05/02/60/641050260.db2.gz OSAMMCNQWCOOAN-UKRRQHHQSA-N 1 0 246.398 3.278 20 10 BGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000230407379 641050762 /nfs/dbraw/zinc/05/07/62/641050762.db2.gz OSAMMCNQWCOOAN-DZGCQCFKSA-N 1 0 246.398 3.278 20 10 BGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000230407380 641050449 /nfs/dbraw/zinc/05/04/49/641050449.db2.gz OSAMMCNQWCOOAN-HIFRSBDPSA-N 1 0 246.398 3.278 20 10 BGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000230407382 641051453 /nfs/dbraw/zinc/05/14/53/641051453.db2.gz OSAMMCNQWCOOAN-ZFWWWQNUSA-N 1 0 246.398 3.278 20 10 BGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000230409920 641052157 /nfs/dbraw/zinc/05/21/57/641052157.db2.gz NVAGCPYSSZVHAA-QWHCGFSZSA-N 1 0 245.366 3.147 20 10 BGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000230409923 641052426 /nfs/dbraw/zinc/05/24/26/641052426.db2.gz NVAGCPYSSZVHAA-OLZOCXBDSA-N 1 0 245.366 3.147 20 10 BGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000230409926 641052820 /nfs/dbraw/zinc/05/28/20/641052820.db2.gz NVAGCPYSSZVHAA-STQMWFEESA-N 1 0 245.366 3.147 20 10 BGCDRO CCC(C)(C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230651594 641075316 /nfs/dbraw/zinc/07/53/16/641075316.db2.gz NSLNLODJXQWFPK-UHFFFAOYSA-N 1 0 233.355 3.147 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@@H]2C)c1 ZINC000230653796 641075898 /nfs/dbraw/zinc/07/58/98/641075898.db2.gz KFVCQUCTCCFRJN-STQMWFEESA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2C)c1 ZINC000230653800 641075846 /nfs/dbraw/zinc/07/58/46/641075846.db2.gz KFVCQUCTCCFRJN-QWHCGFSZSA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2C)c1 ZINC000230653804 641076741 /nfs/dbraw/zinc/07/67/41/641076741.db2.gz KFVCQUCTCCFRJN-OLZOCXBDSA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@H]2C)c1 ZINC000230653809 641076379 /nfs/dbraw/zinc/07/63/79/641076379.db2.gz KFVCQUCTCCFRJN-CHWSQXEVSA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)c1O ZINC000230654592 641076355 /nfs/dbraw/zinc/07/63/55/641076355.db2.gz GDRUDXNXTNXSGD-AAEUAGOBSA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2C)c1O ZINC000230654598 641077686 /nfs/dbraw/zinc/07/76/86/641077686.db2.gz GDRUDXNXTNXSGD-WCQYABFASA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H]2C)c1O ZINC000230654604 641078371 /nfs/dbraw/zinc/07/83/71/641078371.db2.gz GDRUDXNXTNXSGD-YPMHNXCESA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@H]2CCC[C@H]2C)c1O ZINC000230654607 641078826 /nfs/dbraw/zinc/07/88/26/641078826.db2.gz GDRUDXNXTNXSGD-DGCLKSJQSA-N 1 0 233.355 3.226 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1ccccc1O ZINC000230655232 641077487 /nfs/dbraw/zinc/07/74/87/641077487.db2.gz HHTPUDXBLIUTPZ-AVGNSLFASA-N 1 0 233.355 3.479 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1ccccc1O ZINC000230655240 641072944 /nfs/dbraw/zinc/07/29/44/641072944.db2.gz HHTPUDXBLIUTPZ-RWMBFGLXSA-N 1 0 233.355 3.479 20 10 BGCDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230659351 641083288 /nfs/dbraw/zinc/08/32/88/641083288.db2.gz YFOUOWNXJWLSBU-UKRRQHHQSA-N 1 0 246.398 3.278 20 10 BGCDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230659354 641081922 /nfs/dbraw/zinc/08/19/22/641081922.db2.gz YFOUOWNXJWLSBU-DZGCQCFKSA-N 1 0 246.398 3.278 20 10 BGCDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230659359 636604030 /nfs/dbraw/zinc/60/40/30/636604030.db2.gz YFOUOWNXJWLSBU-HIFRSBDPSA-N 1 0 246.398 3.278 20 10 BGCDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000230659361 636604090 /nfs/dbraw/zinc/60/40/90/636604090.db2.gz YFOUOWNXJWLSBU-ZFWWWQNUSA-N 1 0 246.398 3.278 20 10 BGCDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230662353 641081798 /nfs/dbraw/zinc/08/17/98/641081798.db2.gz DUWMHCBDEZCKDO-IUODEOHRSA-N 1 0 245.366 3.147 20 10 BGCDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230662357 641082086 /nfs/dbraw/zinc/08/20/86/641082086.db2.gz DUWMHCBDEZCKDO-SWLSCSKDSA-N 1 0 245.366 3.147 20 10 BGCDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230662360 641082513 /nfs/dbraw/zinc/08/25/13/641082513.db2.gz DUWMHCBDEZCKDO-DOMZBBRYSA-N 1 0 245.366 3.147 20 10 BGCDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230662363 641083064 /nfs/dbraw/zinc/08/30/64/641083064.db2.gz DUWMHCBDEZCKDO-WFASDCNBSA-N 1 0 245.366 3.147 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)c1 ZINC000230666991 641077638 /nfs/dbraw/zinc/07/76/38/641077638.db2.gz PEXWHVLADKNGSL-NEPJUHHUSA-N 1 0 233.355 3.397 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC2(C)C)c1 ZINC000230666994 641078934 /nfs/dbraw/zinc/07/89/34/641078934.db2.gz PEXWHVLADKNGSL-RYUDHWBXSA-N 1 0 233.355 3.397 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC2(C)C)c1 ZINC000230666999 641078488 /nfs/dbraw/zinc/07/84/88/641078488.db2.gz PEXWHVLADKNGSL-VXGBXAGGSA-N 1 0 233.355 3.397 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC2(C)C)c1 ZINC000230667002 641078018 /nfs/dbraw/zinc/07/80/18/641078018.db2.gz PEXWHVLADKNGSL-NWDGAFQWSA-N 1 0 233.355 3.397 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)c1 ZINC000230667043 641077242 /nfs/dbraw/zinc/07/72/42/641077242.db2.gz JUXSEQPAAPXZBC-MNOVXSKESA-N 1 0 249.354 3.098 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CC2(C)C)c1 ZINC000230667047 641078003 /nfs/dbraw/zinc/07/80/03/641078003.db2.gz JUXSEQPAAPXZBC-QWRGUYRKSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CC2(C)C)c1 ZINC000230667052 641078817 /nfs/dbraw/zinc/07/88/17/641078817.db2.gz JUXSEQPAAPXZBC-GHMZBOCLSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CC2(C)C)c1 ZINC000230667055 641078659 /nfs/dbraw/zinc/07/86/59/641078659.db2.gz JUXSEQPAAPXZBC-WDEREUQCSA-N 1 0 249.354 3.098 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)c(O)c1 ZINC000230667062 641077322 /nfs/dbraw/zinc/07/73/22/641077322.db2.gz XTTAQCUZGPXWTM-NEPJUHHUSA-N 1 0 233.355 3.397 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC2(C)C)c(O)c1 ZINC000230667066 641077957 /nfs/dbraw/zinc/07/79/57/641077957.db2.gz XTTAQCUZGPXWTM-RYUDHWBXSA-N 1 0 233.355 3.397 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC2(C)C)c(O)c1 ZINC000230667069 641078217 /nfs/dbraw/zinc/07/82/17/641078217.db2.gz XTTAQCUZGPXWTM-VXGBXAGGSA-N 1 0 233.355 3.397 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC2(C)C)c(O)c1 ZINC000230667072 641077715 /nfs/dbraw/zinc/07/77/15/641077715.db2.gz XTTAQCUZGPXWTM-NWDGAFQWSA-N 1 0 233.355 3.397 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1CC1(C)C)c1cc(F)ccc1O ZINC000230667107 641078115 /nfs/dbraw/zinc/07/81/15/641078115.db2.gz ZWNOWRXWJVWTRR-ZJUUUORDSA-N 1 0 237.318 3.228 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1CC1(C)C)c1cc(F)ccc1O ZINC000230667112 641077407 /nfs/dbraw/zinc/07/74/07/641077407.db2.gz ZWNOWRXWJVWTRR-UWVGGRQHSA-N 1 0 237.318 3.228 20 10 BGCDRO C[C@@H]([NH2+]C[C@H]1CC1(C)C)c1cc(F)ccc1O ZINC000230667117 641078739 /nfs/dbraw/zinc/07/87/39/641078739.db2.gz ZWNOWRXWJVWTRR-NXEZZACHSA-N 1 0 237.318 3.228 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1CC1(C)C)c1cc(F)ccc1O ZINC000230667120 641077435 /nfs/dbraw/zinc/07/74/35/641077435.db2.gz ZWNOWRXWJVWTRR-VHSXEESVSA-N 1 0 237.318 3.228 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2(C)CC2)c1 ZINC000230667955 641078088 /nfs/dbraw/zinc/07/80/88/641078088.db2.gz OTDVOPWXKNWXGA-LLVKDONJSA-N 1 0 219.328 3.151 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2(C)CC2)c1 ZINC000230667959 641077219 /nfs/dbraw/zinc/07/72/19/641077219.db2.gz OTDVOPWXKNWXGA-NSHDSACASA-N 1 0 219.328 3.151 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC2)c(O)c1 ZINC000230668025 641077778 /nfs/dbraw/zinc/07/77/78/641077778.db2.gz KNSGNHWKPWFNSV-LLVKDONJSA-N 1 0 219.328 3.151 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC2(C)CC2)c(O)c1 ZINC000230668029 641078763 /nfs/dbraw/zinc/07/87/63/641078763.db2.gz KNSGNHWKPWFNSV-NSHDSACASA-N 1 0 219.328 3.151 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C2CC2)cc1 ZINC000230674340 641079674 /nfs/dbraw/zinc/07/96/74/641079674.db2.gz KINNAYHNGBYENX-UHFFFAOYSA-N 1 0 232.371 3.031 20 10 BGCDRO CC(C)([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000230674646 641080209 /nfs/dbraw/zinc/08/02/09/641080209.db2.gz XFMFORKCPWARDE-UHFFFAOYSA-N 1 0 239.746 3.324 20 10 BGCDRO CCOc1cccc(C[NH2+]C(C)(C)C2CC2)c1O ZINC000230674828 641080257 /nfs/dbraw/zinc/08/02/57/641080257.db2.gz PIWMNRPUFMHXII-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(C[NH2+]C(C)(C)C2CC2)cc1C ZINC000230674893 641080868 /nfs/dbraw/zinc/08/08/68/641080868.db2.gz VJDCPXKQFXWLIE-UHFFFAOYSA-N 1 0 233.355 3.282 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC(F)(F)F)c1 ZINC000231750534 641197879 /nfs/dbraw/zinc/19/78/79/641197879.db2.gz AYDFIWGBVRUASV-VIFPVBQESA-N 1 0 247.260 3.131 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC(F)(F)F)c1 ZINC000231750538 641196687 /nfs/dbraw/zinc/19/66/87/641196687.db2.gz AYDFIWGBVRUASV-SECBINFHSA-N 1 0 247.260 3.131 20 10 BGCDRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccccc1O ZINC000231791319 641203350 /nfs/dbraw/zinc/20/33/50/641203350.db2.gz PSSQYINZOWZBSD-IUCAKERBSA-N 1 0 247.260 3.384 20 10 BGCDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccccc1O ZINC000231791322 641202615 /nfs/dbraw/zinc/20/26/15/641202615.db2.gz PSSQYINZOWZBSD-BDAKNGLRSA-N 1 0 247.260 3.384 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccccc1O ZINC000231791326 641203121 /nfs/dbraw/zinc/20/31/21/641203121.db2.gz PSSQYINZOWZBSD-DTWKUNHWSA-N 1 0 247.260 3.384 20 10 BGCDRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccccc1O ZINC000231791327 641204249 /nfs/dbraw/zinc/20/42/49/641204249.db2.gz PSSQYINZOWZBSD-RKDXNWHRSA-N 1 0 247.260 3.384 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H](C)CC(F)(F)F)c1O ZINC000231901449 635508779 /nfs/dbraw/zinc/50/87/79/635508779.db2.gz DMCJJBHRPVGAPS-VIFPVBQESA-N 1 0 247.260 3.131 20 10 BGCDRO Cc1cccc(C[NH2+][C@H](C)CC(F)(F)F)c1O ZINC000231901451 641217058 /nfs/dbraw/zinc/21/70/58/641217058.db2.gz DMCJJBHRPVGAPS-SECBINFHSA-N 1 0 247.260 3.131 20 10 BGCDRO CC(C)C1CC([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000232538053 641297747 /nfs/dbraw/zinc/29/77/47/641297747.db2.gz WKZQHMOYIDCCHG-UHFFFAOYSA-N 1 0 246.398 3.277 20 10 BGCDRO CC(C)=CC[NH2+]Cc1c(O)cccc1Cl ZINC000232613142 641307294 /nfs/dbraw/zinc/30/72/94/641307294.db2.gz RBNJPRUCMQYGLV-UHFFFAOYSA-N 1 0 225.719 3.101 20 10 BGCDRO CCC[N@H+](Cc1cc(F)ccc1O)C(C)C ZINC000233073192 635526264 /nfs/dbraw/zinc/52/62/64/635526264.db2.gz DSCNBJKDZNASMV-UHFFFAOYSA-N 1 0 225.307 3.152 20 10 BGCDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1O ZINC000233921908 642707701 /nfs/dbraw/zinc/70/77/01/642707701.db2.gz VEPRNMPVUITZLH-GXFFZTMASA-N 1 0 237.318 3.294 20 10 BGCDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)ccc1O ZINC000233923296 642707343 /nfs/dbraw/zinc/70/73/43/642707343.db2.gz VEPRNMPVUITZLH-ZWNOBZJWSA-N 1 0 237.318 3.294 20 10 BGCDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1O ZINC000234049749 643358097 /nfs/dbraw/zinc/35/80/97/643358097.db2.gz VEPRNMPVUITZLH-GWCFXTLKSA-N 1 0 237.318 3.294 20 10 BGCDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)ccc1O ZINC000234052933 643357624 /nfs/dbraw/zinc/35/76/24/643357624.db2.gz VEPRNMPVUITZLH-MFKMUULPSA-N 1 0 237.318 3.294 20 10 BGCDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000235289347 632613432 /nfs/dbraw/zinc/61/34/32/632613432.db2.gz MZIWWNNUWJCDML-MNOVXSKESA-N 1 0 237.318 3.057 20 10 BGCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1O ZINC000235300840 632636317 /nfs/dbraw/zinc/63/63/17/632636317.db2.gz OKPWLONUURPVHT-YPMHNXCESA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1O ZINC000235306913 632655276 /nfs/dbraw/zinc/65/52/76/632655276.db2.gz OKPWLONUURPVHT-DGCLKSJQSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000235313266 632660012 /nfs/dbraw/zinc/66/00/12/632660012.db2.gz AGIQNFSHTRSQAN-GHMZBOCLSA-N 1 0 237.318 3.057 20 10 BGCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000235314928 632659054 /nfs/dbraw/zinc/65/90/54/632659054.db2.gz AGIQNFSHTRSQAN-MNOVXSKESA-N 1 0 237.318 3.057 20 10 BGCDRO CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000235383641 632682187 /nfs/dbraw/zinc/68/21/87/632682187.db2.gz UOMQYINGWUHFKT-JSGCOSHPSA-N 1 0 245.366 3.474 20 10 BGCDRO CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000235392164 635575091 /nfs/dbraw/zinc/57/50/91/635575091.db2.gz UOMQYINGWUHFKT-GXTWGEPZSA-N 1 0 245.366 3.474 20 10 BGCDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]Cc1ccccc1O ZINC000235538307 632779210 /nfs/dbraw/zinc/77/92/10/632779210.db2.gz OKPWLONUURPVHT-AAEUAGOBSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000235553538 632782097 /nfs/dbraw/zinc/78/20/97/632782097.db2.gz MZIWWNNUWJCDML-QWRGUYRKSA-N 1 0 237.318 3.057 20 10 BGCDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000235578277 632790699 /nfs/dbraw/zinc/79/06/99/632790699.db2.gz MZIWWNNUWJCDML-WDEREUQCSA-N 1 0 237.318 3.057 20 10 BGCDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]Cc1ccccc1O ZINC000235579519 632791114 /nfs/dbraw/zinc/79/11/14/632791114.db2.gz OKPWLONUURPVHT-WCQYABFASA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000235621594 632802762 /nfs/dbraw/zinc/80/27/62/632802762.db2.gz AGIQNFSHTRSQAN-QWRGUYRKSA-N 1 0 237.318 3.057 20 10 BGCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000235636734 632806494 /nfs/dbraw/zinc/80/64/94/632806494.db2.gz AGIQNFSHTRSQAN-WDEREUQCSA-N 1 0 237.318 3.057 20 10 BGCDRO CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000235670674 632813327 /nfs/dbraw/zinc/81/33/27/632813327.db2.gz UOMQYINGWUHFKT-OCCSQVGLSA-N 1 0 245.366 3.474 20 10 BGCDRO CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000235704810 635583303 /nfs/dbraw/zinc/58/33/03/635583303.db2.gz UOMQYINGWUHFKT-TZMCWYRMSA-N 1 0 245.366 3.474 20 10 BGCDRO CCCOc1ccc(C[NH2+][C@H](C)C2CC2)c(O)c1 ZINC000236840547 169318710 /nfs/dbraw/zinc/31/87/10/169318710.db2.gz TWBWYHGMUZTKKE-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)CC)c1 ZINC000236865611 386321534 /nfs/dbraw/zinc/32/15/34/386321534.db2.gz VQDMAYNBQKUBJR-UHFFFAOYSA-N 1 0 237.343 3.069 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CCCCC1 ZINC000237086531 635750723 /nfs/dbraw/zinc/75/07/23/635750723.db2.gz NWXGGZSNWCEOJG-UHFFFAOYSA-N 1 0 246.398 3.483 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000237384121 635613658 /nfs/dbraw/zinc/61/36/58/635613658.db2.gz QEAPDXHFNKBSTE-IUODEOHRSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000237390166 711796458 /nfs/dbraw/zinc/79/64/58/711796458.db2.gz QEAPDXHFNKBSTE-DOMZBBRYSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@H]1C ZINC000237416938 636769334 /nfs/dbraw/zinc/76/93/34/636769334.db2.gz KFDLBSMKZGFYKQ-WBMJQRKESA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@H]1C ZINC000237426429 636775070 /nfs/dbraw/zinc/77/50/70/636775070.db2.gz KFDLBSMKZGFYKQ-MLGOLLRUSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000237558786 642714851 /nfs/dbraw/zinc/71/48/51/642714851.db2.gz QEAPDXHFNKBSTE-SWLSCSKDSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000237564889 642714637 /nfs/dbraw/zinc/71/46/37/642714637.db2.gz QEAPDXHFNKBSTE-WFASDCNBSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC[C@@H]1C ZINC000237587573 642719874 /nfs/dbraw/zinc/71/98/74/642719874.db2.gz KFDLBSMKZGFYKQ-LRDDRELGSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC[C@@H]1C ZINC000237601360 642719522 /nfs/dbraw/zinc/71/95/22/642719522.db2.gz KFDLBSMKZGFYKQ-BLLLJJGKSA-N 1 0 246.398 3.339 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](C)[C@H]2C)c1 ZINC000245737141 644539435 /nfs/dbraw/zinc/53/94/35/644539435.db2.gz FTNARUFAHIGHBH-NWDGAFQWSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](C)[C@H]2C)c1 ZINC000245737143 644539020 /nfs/dbraw/zinc/53/90/20/644539020.db2.gz FTNARUFAHIGHBH-VXGBXAGGSA-N 1 0 249.354 3.021 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1C ZINC000245871380 386609003 /nfs/dbraw/zinc/60/90/03/386609003.db2.gz GWECJIAKJJSQLJ-NEPJUHHUSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1C ZINC000245871384 177102080 /nfs/dbraw/zinc/10/20/80/177102080.db2.gz GWECJIAKJJSQLJ-RYUDHWBXSA-N 1 0 219.328 3.013 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000245888626 644550067 /nfs/dbraw/zinc/55/00/67/644550067.db2.gz BYFOFXDPQRZVCP-BXUZGUMPSA-N 1 0 249.329 3.296 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000245888628 644550338 /nfs/dbraw/zinc/55/03/38/644550338.db2.gz BYFOFXDPQRZVCP-SMDDNHRTSA-N 1 0 249.329 3.296 20 10 BGCDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC000245940740 644557283 /nfs/dbraw/zinc/55/72/83/644557283.db2.gz JVACQOOQTHRJJO-MNOVXSKESA-N 1 0 237.318 3.152 20 10 BGCDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC000245940744 644556891 /nfs/dbraw/zinc/55/68/91/644556891.db2.gz JVACQOOQTHRJJO-QWRGUYRKSA-N 1 0 237.318 3.152 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC000246063118 644561553 /nfs/dbraw/zinc/56/15/53/644561553.db2.gz ZHHQDGAPCPLHJI-GHMZBOCLSA-N 1 0 237.318 3.009 20 10 BGCDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC000246063121 644561197 /nfs/dbraw/zinc/56/11/97/644561197.db2.gz ZHHQDGAPCPLHJI-WDEREUQCSA-N 1 0 237.318 3.009 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000246647944 644601572 /nfs/dbraw/zinc/60/15/72/644601572.db2.gz BRCFGHGQYKANEN-NEPJUHHUSA-N 1 0 245.366 3.111 20 10 BGCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)CCC3)[C@H]1C ZINC000246647952 644600306 /nfs/dbraw/zinc/60/03/06/644600306.db2.gz BRCFGHGQYKANEN-RYUDHWBXSA-N 1 0 245.366 3.111 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C)[C@H]2C)c1 ZINC000246701301 642316214 /nfs/dbraw/zinc/31/62/14/642316214.db2.gz NDAQORKMCMEYRT-DGCLKSJQSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C)[C@H]2C)c1 ZINC000246701319 644602686 /nfs/dbraw/zinc/60/26/86/644602686.db2.gz NDAQORKMCMEYRT-WCQYABFASA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H]2C)cc1C ZINC000246865457 644608214 /nfs/dbraw/zinc/60/82/14/644608214.db2.gz MEDQDQKBNOMPKC-GXFFZTMASA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H]2C)cc1C ZINC000246865490 643122566 /nfs/dbraw/zinc/12/25/66/643122566.db2.gz MEDQDQKBNOMPKC-ZWNOBZJWSA-N 1 0 233.355 3.239 20 10 BGCDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)[C@H]1C ZINC000247275451 642387691 /nfs/dbraw/zinc/38/76/91/642387691.db2.gz YHDPCGCJWUQJMH-UWVGGRQHSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H]2CCCC[C@@H]12 ZINC000248373398 644677884 /nfs/dbraw/zinc/67/78/84/644677884.db2.gz IQVRCOFEVLOMCW-SNPRPXQTSA-N 1 0 245.366 3.403 20 10 BGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H]2CCCC[C@H]21 ZINC000248373399 644677252 /nfs/dbraw/zinc/67/72/52/644677252.db2.gz IQVRCOFEVLOMCW-VHDGCEQUSA-N 1 0 245.366 3.403 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@H]1CCCO1 ZINC000248385212 644677726 /nfs/dbraw/zinc/67/77/26/644677726.db2.gz HPBYSTHTHVBLQU-OSAQELSMSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)[C@@H]1CCCO1 ZINC000248385213 644677300 /nfs/dbraw/zinc/67/73/00/644677300.db2.gz HPBYSTHTHVBLQU-ZLDLUXBVSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1O ZINC000248512046 387137614 /nfs/dbraw/zinc/13/76/14/387137614.db2.gz ABUHNKTXXFUPTP-CORIIIEPSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1O ZINC000248512049 387137862 /nfs/dbraw/zinc/13/78/62/387137862.db2.gz ABUHNKTXXFUPTP-OSAQELSMSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000249783562 171366462 /nfs/dbraw/zinc/36/64/62/171366462.db2.gz QRIMWYLEWQARFK-QJPTWQEYSA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000249783565 171390348 /nfs/dbraw/zinc/39/03/48/171390348.db2.gz QRIMWYLEWQARFK-SDDRHHMPSA-N 1 0 221.344 3.477 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1 ZINC000251180380 635703061 /nfs/dbraw/zinc/70/30/61/635703061.db2.gz VVKSQHOGQAKIPX-CHWSQXEVSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)c1ccccc1O ZINC000251217754 644799428 /nfs/dbraw/zinc/79/94/28/644799428.db2.gz ILGHQXPLEGUQLT-GZBFAFLISA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C[C@H]1C ZINC000251771500 644820019 /nfs/dbraw/zinc/82/00/19/644820019.db2.gz KRXPZERXFOVYRK-BZPMIXESSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C[C@H]1C ZINC000251771503 644819675 /nfs/dbraw/zinc/81/96/75/644819675.db2.gz KRXPZERXFOVYRK-YRGRVCCFSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2O)[C@H]1C ZINC000252179339 636767001 /nfs/dbraw/zinc/76/70/01/636767001.db2.gz PRTRSDQLFTYWPX-DYEKYZERSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2O)[C@H]1C ZINC000252179340 636767127 /nfs/dbraw/zinc/76/71/27/636767127.db2.gz PRTRSDQLFTYWPX-MBNYWOFBSA-N 1 0 233.355 3.307 20 10 BGCDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C[C@@H](C)C1 ZINC000252203064 636768041 /nfs/dbraw/zinc/76/80/41/636768041.db2.gz WQDNIOFSHHLTSY-IMRBUKKESA-N 1 0 233.355 3.307 20 10 BGCDRO Cc1cccc(C[N@H+]2CC[C@@H](C)C[C@H]2C)c1O ZINC000252732824 644893080 /nfs/dbraw/zinc/89/30/80/644893080.db2.gz WTIVWFYYCUKDEM-DGCLKSJQSA-N 1 0 233.355 3.321 20 10 BGCDRO CCOc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1O ZINC000252739990 711450870 /nfs/dbraw/zinc/45/08/70/711450870.db2.gz LWGCWDUXFLXSTD-NWDGAFQWSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1cccc(C[N@@H+]2C[C@H](C)C[C@H]2C)c1O ZINC000252739992 711450828 /nfs/dbraw/zinc/45/08/28/711450828.db2.gz LWGCWDUXFLXSTD-VXGBXAGGSA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000252803486 385660863 /nfs/dbraw/zinc/66/08/63/385660863.db2.gz BPBCPSIJCJSCQS-GRYCIOLGSA-N 1 0 219.328 3.007 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000252803487 385661984 /nfs/dbraw/zinc/66/19/84/385661984.db2.gz BPBCPSIJCJSCQS-WOPDTQHZSA-N 1 0 219.328 3.007 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c(O)c1 ZINC000252809597 385662577 /nfs/dbraw/zinc/66/25/77/385662577.db2.gz LVKMTCGCQOCOSD-GRYCIOLGSA-N 1 0 219.328 3.007 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c(O)c1 ZINC000252809599 385662048 /nfs/dbraw/zinc/66/20/48/385662048.db2.gz LVKMTCGCQOCOSD-WOPDTQHZSA-N 1 0 219.328 3.007 20 10 BGCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]Cc1ccccc1O ZINC000252892841 643137510 /nfs/dbraw/zinc/13/75/10/643137510.db2.gz OPWTZZHWIPONNN-JYAVWHMHSA-N 1 0 233.355 3.307 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccccc1O ZINC000252972364 385665088 /nfs/dbraw/zinc/66/50/88/385665088.db2.gz ZHMPBLDGFOWKQE-MDZLAQPJSA-N 1 0 219.328 3.089 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccccc1O ZINC000252972365 385664620 /nfs/dbraw/zinc/66/46/20/385664620.db2.gz ZHMPBLDGFOWKQE-WZRBSPASSA-N 1 0 219.328 3.089 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]C1CCCCC1)CC2 ZINC000258138846 183297217 /nfs/dbraw/zinc/29/72/17/183297217.db2.gz WICQIKWFRZWOBW-CYBMUJFWSA-N 1 0 231.339 3.302 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]C1CCCCC1)CC2 ZINC000258138847 183297570 /nfs/dbraw/zinc/29/75/70/183297570.db2.gz WICQIKWFRZWOBW-ZDUSSCGKSA-N 1 0 231.339 3.302 20 10 BGCDRO Cc1ccc(C[NH+]2Cc3ccccc3C2)c(O)c1 ZINC000258228805 634604551 /nfs/dbraw/zinc/60/45/51/634604551.db2.gz YGHXTTVZEVPNDI-UHFFFAOYSA-N 1 0 239.318 3.216 20 10 BGCDRO Cc1ccc(CCN(C)c2ccc(N)cc2)cc1 ZINC000260299407 635317885 /nfs/dbraw/zinc/31/78/85/635317885.db2.gz YSWUQYWMKZQKKB-UHFFFAOYSA-N 1 0 240.350 3.256 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+]C2(C)CCCC2)c1 ZINC000263932514 386193839 /nfs/dbraw/zinc/19/38/39/386193839.db2.gz BBNQTZZOPLCJNU-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO COc1ccc(C[NH2+]Cc2occc2C)cc1C ZINC000266186498 175107995 /nfs/dbraw/zinc/10/79/95/175107995.db2.gz HLLHRPSWWTUFOD-UHFFFAOYSA-N 1 0 245.322 3.195 20 10 BGCDRO CC(C)[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000268082401 188374409 /nfs/dbraw/zinc/37/44/09/188374409.db2.gz GVSJQWBCZFLGSX-UHFFFAOYSA-N 1 0 245.322 3.396 20 10 BGCDRO Cc1ccc(O)c(C[N@H+](C)Cc2cccs2)c1 ZINC000270983033 385766402 /nfs/dbraw/zinc/76/64/02/385766402.db2.gz DTRBGMUSGZVSMO-UHFFFAOYSA-N 1 0 247.363 3.394 20 10 BGCDRO CCCC[N@H+](Cc1cccc(OC)c1O)C1CC1 ZINC000271055497 385778937 /nfs/dbraw/zinc/77/89/37/385778937.db2.gz SVHFJGZHPWBCRU-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO COc1cccc(C[N@@H+]2C[C@H](C)CC2(C)C)c1O ZINC000271186987 175261039 /nfs/dbraw/zinc/26/10/39/175261039.db2.gz NLOHFVLMRAGPQX-LLVKDONJSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2C[C@@H](C)CC2(C)C)c1O ZINC000271186989 175259601 /nfs/dbraw/zinc/25/96/01/175259601.db2.gz NLOHFVLMRAGPQX-NSHDSACASA-N 1 0 249.354 3.021 20 10 BGCDRO CCCC[N@H+](Cc1ccccc1O)C1CC1 ZINC000271357723 385820550 /nfs/dbraw/zinc/82/05/50/385820550.db2.gz MSAPJUWTGUOFTD-UHFFFAOYSA-N 1 0 219.328 3.157 20 10 BGCDRO CC[C@H]([NH2+]C1CCC1)c1ccc(N(C)C)cc1 ZINC000271418480 385825548 /nfs/dbraw/zinc/82/55/48/385825548.db2.gz BEYCFTBVBPWAPI-HNNXBMFYSA-N 1 0 232.371 3.346 20 10 BGCDRO CC[C@@H]([NH2+]C1CCC1)c1ccc(N(C)C)cc1 ZINC000271418482 385826689 /nfs/dbraw/zinc/82/66/89/385826689.db2.gz BEYCFTBVBPWAPI-OAHLLOKOSA-N 1 0 232.371 3.346 20 10 BGCDRO CCN(C)c1ccc([C@@H](C)[NH2+]C2CCC2)cc1 ZINC000271464535 187848343 /nfs/dbraw/zinc/84/83/43/187848343.db2.gz KQAZTGOGUPONCO-GFCCVEGCSA-N 1 0 232.371 3.346 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C2CCC2)cc1 ZINC000271464541 385830412 /nfs/dbraw/zinc/83/04/12/385830412.db2.gz KQAZTGOGUPONCO-LBPRGKRZSA-N 1 0 232.371 3.346 20 10 BGCDRO CCSCCC[NH2+][C@H](C)c1ccccc1O ZINC000271726159 397971518 /nfs/dbraw/zinc/97/15/18/397971518.db2.gz YTDSOFXWURCVQO-LLVKDONJSA-N 1 0 239.384 3.186 20 10 BGCDRO CCSCCC[NH2+][C@@H](C)c1ccccc1O ZINC000271726162 397971451 /nfs/dbraw/zinc/97/14/51/397971451.db2.gz YTDSOFXWURCVQO-NSHDSACASA-N 1 0 239.384 3.186 20 10 BGCDRO Cc1cccc(C[N@H+](C)Cc2cccs2)c1O ZINC000271819190 179069219 /nfs/dbraw/zinc/06/92/19/179069219.db2.gz OQGZQALTNYIQGH-UHFFFAOYSA-N 1 0 247.363 3.394 20 10 BGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C(C)(C)C1 ZINC000272337629 177265787 /nfs/dbraw/zinc/26/57/87/177265787.db2.gz XXWVSNVAZUJWOL-LLVKDONJSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C(C)(C)C1 ZINC000272337631 176307501 /nfs/dbraw/zinc/30/75/01/176307501.db2.gz XXWVSNVAZUJWOL-NSHDSACASA-N 1 0 219.328 3.013 20 10 BGCDRO Cc1cc(O)c(CN2CCC=C(F)C2)cc1C ZINC000272740396 178195640 /nfs/dbraw/zinc/19/56/40/178195640.db2.gz IIVHURXDDMPBKD-UHFFFAOYSA-N 1 0 235.302 3.068 20 10 BGCDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000272829349 174740295 /nfs/dbraw/zinc/74/02/95/174740295.db2.gz HNUOLWLFLWMXJH-CORIIIEPSA-N 1 0 249.354 3.000 20 10 BGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000272829351 385940255 /nfs/dbraw/zinc/94/02/55/385940255.db2.gz HNUOLWLFLWMXJH-NJZAAPMLSA-N 1 0 249.354 3.000 20 10 BGCDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000272829353 385940483 /nfs/dbraw/zinc/94/04/83/385940483.db2.gz HNUOLWLFLWMXJH-OSAQELSMSA-N 1 0 249.354 3.000 20 10 BGCDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000272829355 385941183 /nfs/dbraw/zinc/94/11/83/385941183.db2.gz HNUOLWLFLWMXJH-UXIGCNINSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccccc1O ZINC000272919554 389035735 /nfs/dbraw/zinc/03/57/35/389035735.db2.gz XYQZTGLPPWVNRC-HUBLWGQQSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccccc1O ZINC000272919558 389035348 /nfs/dbraw/zinc/03/53/48/389035348.db2.gz XYQZTGLPPWVNRC-SLEUVZQESA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1CCCCO1 ZINC000272919562 389035108 /nfs/dbraw/zinc/03/51/08/389035108.db2.gz XYQZTGLPPWVNRC-YWPYICTPSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1CCCCO1 ZINC000272919565 389035994 /nfs/dbraw/zinc/03/59/94/389035994.db2.gz XYQZTGLPPWVNRC-ZOWXZIJZSA-N 1 0 249.354 3.000 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)c(O)c1C ZINC000273383865 385995954 /nfs/dbraw/zinc/99/59/54/385995954.db2.gz IVUJQSWXUYAAHT-NEPJUHHUSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)c(O)c1C ZINC000273383871 385993822 /nfs/dbraw/zinc/99/38/22/385993822.db2.gz IVUJQSWXUYAAHT-NWDGAFQWSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)c(O)c1C ZINC000273383875 385994134 /nfs/dbraw/zinc/99/41/34/385994134.db2.gz IVUJQSWXUYAAHT-RYUDHWBXSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)c(O)c1C ZINC000273383879 385995772 /nfs/dbraw/zinc/99/57/72/385995772.db2.gz IVUJQSWXUYAAHT-VXGBXAGGSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c(O)c1C ZINC000273420149 385997850 /nfs/dbraw/zinc/99/78/50/385997850.db2.gz RYBIWODLFCHHPF-DRZSPHRISA-N 1 0 233.355 3.316 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c(O)c1C ZINC000273420152 385998983 /nfs/dbraw/zinc/99/89/83/385998983.db2.gz RYBIWODLFCHHPF-KGYLQXTDSA-N 1 0 233.355 3.316 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c(O)c1C ZINC000273420153 385996549 /nfs/dbraw/zinc/99/65/49/385996549.db2.gz RYBIWODLFCHHPF-WCFLWFBJSA-N 1 0 233.355 3.316 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c(O)c1C ZINC000273420155 385997975 /nfs/dbraw/zinc/99/79/75/385997975.db2.gz RYBIWODLFCHHPF-WXHSDQCUSA-N 1 0 233.355 3.316 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccoc2)c(O)c1C ZINC000273429258 385997483 /nfs/dbraw/zinc/99/74/83/385997483.db2.gz VETHNGBQTNCCSM-GFCCVEGCSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccoc2)c(O)c1C ZINC000273429261 385997050 /nfs/dbraw/zinc/99/70/50/385997050.db2.gz VETHNGBQTNCCSM-LBPRGKRZSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccco2)c(O)c1C ZINC000273441648 386000297 /nfs/dbraw/zinc/00/02/97/386000297.db2.gz YQSGQDZDMFWOEV-GFCCVEGCSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]Cc2ccco2)c(O)c1C ZINC000273441653 386001011 /nfs/dbraw/zinc/00/10/11/386001011.db2.gz YQSGQDZDMFWOEV-LBPRGKRZSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)C2)c(O)c1C ZINC000273469486 386005342 /nfs/dbraw/zinc/00/53/42/386005342.db2.gz JMVXDICKZXUBMJ-BKDHPRRPSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C2CC(C)C2)c(O)c1C ZINC000273469487 386004143 /nfs/dbraw/zinc/00/41/43/386004143.db2.gz JMVXDICKZXUBMJ-YHECAPGISA-N 1 0 233.355 3.458 20 10 BGCDRO C[C@@H]([NH2+]C1CCC1)c1cc(Cl)ccc1O ZINC000273508648 389041250 /nfs/dbraw/zinc/04/12/50/389041250.db2.gz RICBPVWTCAMNGD-MRVPVSSYSA-N 1 0 225.719 3.249 20 10 BGCDRO C[C@H]([NH2+]C1CCC1)c1cc(Cl)ccc1O ZINC000273508650 389041229 /nfs/dbraw/zinc/04/12/29/389041229.db2.gz RICBPVWTCAMNGD-QMMMGPOBSA-N 1 0 225.719 3.249 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(C)CCCC2)c1 ZINC000273538189 175160048 /nfs/dbraw/zinc/16/00/48/175160048.db2.gz XQYQXVQKUIIVPO-LLVKDONJSA-N 1 0 249.354 3.384 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(C)CCCC2)c1 ZINC000273538193 175160210 /nfs/dbraw/zinc/16/02/10/175160210.db2.gz XQYQXVQKUIIVPO-NSHDSACASA-N 1 0 249.354 3.384 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C2CCC2)c(O)c1C ZINC000273546756 178838531 /nfs/dbraw/zinc/83/85/31/178838531.db2.gz ZNUAAFBNHFSLFG-LLVKDONJSA-N 1 0 219.328 3.212 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C2CCC2)c(O)c1C ZINC000273546759 389042412 /nfs/dbraw/zinc/04/24/12/389042412.db2.gz ZNUAAFBNHFSLFG-NSHDSACASA-N 1 0 219.328 3.212 20 10 BGCDRO Cc1cc(NCc2ccc(N(C)C)cc2)cc[nH+]1 ZINC000274325172 178172998 /nfs/dbraw/zinc/17/29/98/178172998.db2.gz DOWILYQGCVSJJK-UHFFFAOYSA-N 1 0 241.338 3.068 20 10 BGCDRO COc1cccc(C[NH2+][C@H](C)CCC2CC2)c1O ZINC000274451688 175266582 /nfs/dbraw/zinc/26/65/82/175266582.db2.gz WHWFPSVDVKNZTK-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@@H](C)CCC2CC2)c1O ZINC000274451693 175265301 /nfs/dbraw/zinc/26/53/01/175265301.db2.gz WHWFPSVDVKNZTK-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000274775920 386148785 /nfs/dbraw/zinc/14/87/85/386148785.db2.gz NWUAFRDBFLHTPJ-BZPMIXESSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1ccccc1O ZINC000274775924 386149729 /nfs/dbraw/zinc/14/97/29/386149729.db2.gz NWUAFRDBFLHTPJ-DYEKYZERSA-N 1 0 249.354 3.000 20 10 BGCDRO CC(C)=CCC[NH2+]Cc1cc(C)ccc1O ZINC000276619073 388349934 /nfs/dbraw/zinc/34/99/34/388349934.db2.gz KRKFBHCYBPOTMF-UHFFFAOYSA-N 1 0 219.328 3.147 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+]CCC=C(C)C)c1 ZINC000276636075 386358057 /nfs/dbraw/zinc/35/80/57/386358057.db2.gz PNMCBURDDMCUQX-UHFFFAOYSA-N 1 0 249.354 3.237 20 10 BGCDRO CC(C)=CCC[NH2+]Cc1cccc(C)c1O ZINC000276805941 388350687 /nfs/dbraw/zinc/35/06/87/388350687.db2.gz WSBRMNJZBUIHDT-UHFFFAOYSA-N 1 0 219.328 3.147 20 10 BGCDRO C[C@H]([NH2+]C1CC(C)C1)c1ccc(F)c(F)c1[O-] ZINC000276863343 168146449 /nfs/dbraw/zinc/14/64/49/168146449.db2.gz CXHHBQPJQIWWFL-MGURRDGZSA-N 1 0 241.281 3.120 20 10 BGCDRO C[C@@H]([NH2+]C1CC(C)C1)c1ccc(F)c(F)c1[O-] ZINC000276863351 168148426 /nfs/dbraw/zinc/14/84/26/168148426.db2.gz CXHHBQPJQIWWFL-QJAFJHJLSA-N 1 0 241.281 3.120 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC=C(C)C)c1 ZINC000276953705 175160368 /nfs/dbraw/zinc/16/03/68/175160368.db2.gz VTPORZNRKAQDTJ-GFCCVEGCSA-N 1 0 249.354 3.408 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC=C(C)C)c1 ZINC000276953708 175160540 /nfs/dbraw/zinc/16/05/40/175160540.db2.gz VTPORZNRKAQDTJ-LBPRGKRZSA-N 1 0 249.354 3.408 20 10 BGCDRO CC(C)=CCC[NH2+][C@H](C)c1ccccc1O ZINC000276972294 187238623 /nfs/dbraw/zinc/23/86/23/187238623.db2.gz YANDHEPWTAHKJZ-GFCCVEGCSA-N 1 0 219.328 3.399 20 10 BGCDRO CC(C)=CCC[NH2+][C@@H](C)c1ccccc1O ZINC000276972297 398172660 /nfs/dbraw/zinc/17/26/60/398172660.db2.gz YANDHEPWTAHKJZ-LBPRGKRZSA-N 1 0 219.328 3.399 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2CC(F)(F)C2)c1 ZINC000277000624 411443361 /nfs/dbraw/zinc/44/33/61/411443361.db2.gz AHGXAYVJYQFRRJ-SECBINFHSA-N 1 0 241.281 3.149 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2CC(F)(F)C2)c1 ZINC000277000626 411442993 /nfs/dbraw/zinc/44/29/93/411442993.db2.gz AHGXAYVJYQFRRJ-VIFPVBQESA-N 1 0 241.281 3.149 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C2CC(F)(F)C2)c(O)c1 ZINC000277000763 411442972 /nfs/dbraw/zinc/44/29/72/411442972.db2.gz AKDIAONIGQIHDG-SECBINFHSA-N 1 0 241.281 3.149 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C2CC(F)(F)C2)c(O)c1 ZINC000277001929 398025151 /nfs/dbraw/zinc/02/51/51/398025151.db2.gz AKDIAONIGQIHDG-VIFPVBQESA-N 1 0 241.281 3.149 20 10 BGCDRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1ccccc1O ZINC000277230712 386419336 /nfs/dbraw/zinc/41/93/36/386419336.db2.gz YTHGJDGGDGIDOT-LLVKDONJSA-N 1 0 241.281 3.231 20 10 BGCDRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1ccccc1O ZINC000277230714 386419773 /nfs/dbraw/zinc/41/97/73/386419773.db2.gz YTHGJDGGDGIDOT-NSHDSACASA-N 1 0 241.281 3.231 20 10 BGCDRO Oc1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000277523006 183301749 /nfs/dbraw/zinc/30/17/49/183301749.db2.gz XOONCJVBKPFXBF-UHFFFAOYSA-N 1 0 231.339 3.205 20 10 BGCDRO CC[C@@H]([NH2+]CC1CC1)c1ccc(C)cc1O ZINC000279949970 385236762 /nfs/dbraw/zinc/23/67/62/385236762.db2.gz BRZZSKUSHUVOAK-CYBMUJFWSA-N 1 0 219.328 3.151 20 10 BGCDRO CC[C@H]([NH2+]CC1CC1)c1ccc(C)cc1O ZINC000279949972 385236803 /nfs/dbraw/zinc/23/68/03/385236803.db2.gz BRZZSKUSHUVOAK-ZDUSSCGKSA-N 1 0 219.328 3.151 20 10 BGCDRO CCC[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000280056168 169288474 /nfs/dbraw/zinc/28/84/74/169288474.db2.gz JXXLBEHVAABOJR-GFCCVEGCSA-N 1 0 207.317 3.151 20 10 BGCDRO CCC[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000280056172 169277762 /nfs/dbraw/zinc/27/77/62/169277762.db2.gz JXXLBEHVAABOJR-LBPRGKRZSA-N 1 0 207.317 3.151 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000280069908 175159990 /nfs/dbraw/zinc/15/99/90/175159990.db2.gz KYZFVEWHQQBPKL-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CCC2(C)CC2)c1 ZINC000280069911 175160399 /nfs/dbraw/zinc/16/03/99/175160399.db2.gz KYZFVEWHQQBPKL-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO CC[C@@H]([NH2+]C1CCC1)c1ccc(C)cc1O ZINC000280084491 385254529 /nfs/dbraw/zinc/25/45/29/385254529.db2.gz LXFACQYNCGHHID-CYBMUJFWSA-N 1 0 219.328 3.294 20 10 BGCDRO CC[C@H]([NH2+]C1CCC1)c1ccc(C)cc1O ZINC000280084497 171515189 /nfs/dbraw/zinc/51/51/89/171515189.db2.gz LXFACQYNCGHHID-ZDUSSCGKSA-N 1 0 219.328 3.294 20 10 BGCDRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccccc1O ZINC000280140096 385265381 /nfs/dbraw/zinc/26/53/81/385265381.db2.gz POOXWEUBHSFTQA-LLVKDONJSA-N 1 0 219.328 3.233 20 10 BGCDRO C[C@H]([NH2+]CCC1(C)CC1)c1ccccc1O ZINC000280140098 385263939 /nfs/dbraw/zinc/26/39/39/385263939.db2.gz POOXWEUBHSFTQA-NSHDSACASA-N 1 0 219.328 3.233 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+]CCC2(C)CC2)c1 ZINC000280676667 386834091 /nfs/dbraw/zinc/83/40/91/386834091.db2.gz UQKAAVCPLSPBIW-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO C[C@H]([NH2+]CCF)c1ccc2ccccc2c1O ZINC000280886953 385615703 /nfs/dbraw/zinc/61/57/03/385615703.db2.gz BHCHRSHKXUNKRP-JTQLQIEISA-N 1 0 233.286 3.166 20 10 BGCDRO C[C@@H]([NH2+]CCF)c1ccc2ccccc2c1O ZINC000280886956 385615386 /nfs/dbraw/zinc/61/53/86/385615386.db2.gz BHCHRSHKXUNKRP-SNVBAGLBSA-N 1 0 233.286 3.166 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC23CCC3)cc1 ZINC000281995368 172554493 /nfs/dbraw/zinc/55/44/93/172554493.db2.gz CQMDYSDSZMZKOB-HNNXBMFYSA-N 1 0 244.382 3.175 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000281995370 385722830 /nfs/dbraw/zinc/72/28/30/385722830.db2.gz CQMDYSDSZMZKOB-OAHLLOKOSA-N 1 0 244.382 3.175 20 10 BGCDRO CCCC[N@H+](CCCF)Cc1ccccc1O ZINC000282402728 385758054 /nfs/dbraw/zinc/75/80/54/385758054.db2.gz HWWHNMFJPREAEQ-UHFFFAOYSA-N 1 0 239.334 3.354 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccoc2)c(O)c1 ZINC000283952777 385840429 /nfs/dbraw/zinc/84/04/29/385840429.db2.gz FVJCVZBXOXHSLV-GFCCVEGCSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccoc2)c(O)c1 ZINC000283952779 385841876 /nfs/dbraw/zinc/84/18/76/385841876.db2.gz FVJCVZBXOXHSLV-LBPRGKRZSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]Cc2ccco2)c(O)c1 ZINC000284044955 385846950 /nfs/dbraw/zinc/84/69/50/385846950.db2.gz JZJMDRWKWCJDCW-GFCCVEGCSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]Cc2ccco2)c(O)c1 ZINC000284044968 385847244 /nfs/dbraw/zinc/84/72/44/385847244.db2.gz JZJMDRWKWCJDCW-LBPRGKRZSA-N 1 0 245.322 3.453 20 10 BGCDRO C[N@@H+]1CCCC[C@H]1CCSc1nccs1 ZINC000284297032 173008333 /nfs/dbraw/zinc/00/83/33/173008333.db2.gz RJJLSFNNORFJDP-JTQLQIEISA-N 1 0 242.413 3.110 20 10 BGCDRO C[N@@H+]1CCCC[C@@H]1CCSc1nccs1 ZINC000284297035 173004868 /nfs/dbraw/zinc/00/48/68/173004868.db2.gz RJJLSFNNORFJDP-SNVBAGLBSA-N 1 0 242.413 3.110 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)C2CC2)c(O)c1 ZINC000284940956 487732885 /nfs/dbraw/zinc/73/28/85/487732885.db2.gz DVPLUKOTUVAUPU-NEPJUHHUSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)C2CC2)c(O)c1 ZINC000284940963 487732720 /nfs/dbraw/zinc/73/27/20/487732720.db2.gz DVPLUKOTUVAUPU-NWDGAFQWSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)C2CC2)c(O)c1 ZINC000284940969 177874567 /nfs/dbraw/zinc/87/45/67/177874567.db2.gz DVPLUKOTUVAUPU-RYUDHWBXSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)C2CC2)c(O)c1 ZINC000284940974 487732692 /nfs/dbraw/zinc/73/26/92/487732692.db2.gz DVPLUKOTUVAUPU-VXGBXAGGSA-N 1 0 233.355 3.458 20 10 BGCDRO CCC[N@H+](CCCCF)Cc1ccccc1O ZINC000286525832 169154746 /nfs/dbraw/zinc/15/47/46/169154746.db2.gz SQHLPICTFYDXPN-UHFFFAOYSA-N 1 0 239.334 3.354 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000287094815 175159970 /nfs/dbraw/zinc/15/99/70/175159970.db2.gz PRPJTXWKKZHZQS-HZMBPMFUSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000287094822 175160940 /nfs/dbraw/zinc/16/09/40/175160940.db2.gz PRPJTXWKKZHZQS-IINYFYTJSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c1 ZINC000287094829 175160648 /nfs/dbraw/zinc/16/06/48/175160648.db2.gz PRPJTXWKKZHZQS-QMTHXVAHSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCC2(C)C)c1 ZINC000287094836 175160265 /nfs/dbraw/zinc/16/02/65/175160265.db2.gz PRPJTXWKKZHZQS-YGRLFVJLSA-N 1 0 249.354 3.240 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1cc(F)ccc1O ZINC000287210110 387392102 /nfs/dbraw/zinc/39/21/02/387392102.db2.gz WXJSJMXTZWKMGR-NOZJJQNGSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1cc(F)ccc1O ZINC000287210113 387391787 /nfs/dbraw/zinc/39/17/87/387391787.db2.gz WXJSJMXTZWKMGR-RNCFNFMXSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1cc(F)ccc1O ZINC000287210116 387390661 /nfs/dbraw/zinc/39/06/61/387390661.db2.gz WXJSJMXTZWKMGR-TVQRCGJNSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1cc(F)ccc1O ZINC000287210118 387391909 /nfs/dbraw/zinc/39/19/09/387391909.db2.gz WXJSJMXTZWKMGR-ZANVPECISA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1O ZINC000287236618 387384515 /nfs/dbraw/zinc/38/45/15/387384515.db2.gz YMJSNEDRKIGZHS-GWCFXTLKSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1O ZINC000287236621 387386370 /nfs/dbraw/zinc/38/63/70/387386370.db2.gz YMJSNEDRKIGZHS-GXFFZTMASA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1O ZINC000287236624 387385457 /nfs/dbraw/zinc/38/54/57/387385457.db2.gz YMJSNEDRKIGZHS-MFKMUULPSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1O ZINC000287236627 387385312 /nfs/dbraw/zinc/38/53/12/387385312.db2.gz YMJSNEDRKIGZHS-ZWNOBZJWSA-N 1 0 219.328 3.231 20 10 BGCDRO CCOc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1O ZINC000290130307 386781537 /nfs/dbraw/zinc/78/15/37/386781537.db2.gz MUDBPQNXZUEUMU-CYBMUJFWSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@H]2CCC2(C)C)c1O ZINC000290130312 386781997 /nfs/dbraw/zinc/78/19/97/386781997.db2.gz MUDBPQNXZUEUMU-ZDUSSCGKSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000290155918 386401569 /nfs/dbraw/zinc/40/15/69/386401569.db2.gz PJOZHNPZLHDZJW-AWEZNQCLSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000290155922 386401234 /nfs/dbraw/zinc/40/12/34/386401234.db2.gz PJOZHNPZLHDZJW-CQSZACIVSA-N 1 0 249.354 3.069 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000290205872 183302436 /nfs/dbraw/zinc/30/24/36/183302436.db2.gz PZEUPLPFSZNKPU-CYBMUJFWSA-N 1 0 231.339 3.014 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000290205884 183302068 /nfs/dbraw/zinc/30/20/68/183302068.db2.gz PZEUPLPFSZNKPU-ZDUSSCGKSA-N 1 0 231.339 3.014 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000291483514 183301599 /nfs/dbraw/zinc/30/15/99/183301599.db2.gz FYZCZEXVEBHWLO-HNNXBMFYSA-N 1 0 243.350 3.157 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000291483523 183301086 /nfs/dbraw/zinc/30/10/86/183301086.db2.gz FYZCZEXVEBHWLO-OAHLLOKOSA-N 1 0 243.350 3.157 20 10 BGCDRO Cc1ccoc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000291674922 178197275 /nfs/dbraw/zinc/19/72/75/178197275.db2.gz GZNTXOZZXPWMGS-UHFFFAOYSA-N 1 0 245.322 3.200 20 10 BGCDRO Cc1ccoc1C[N@@H+](C)Cc1cc(F)ccc1O ZINC000292798821 386728150 /nfs/dbraw/zinc/72/81/50/386728150.db2.gz NHONAHZQDUHJKQ-UHFFFAOYSA-N 1 0 249.285 3.065 20 10 BGCDRO Oc1ccccc1C[NH+](C1CCC1)C1CCC1 ZINC000292813049 183301836 /nfs/dbraw/zinc/30/18/36/183301836.db2.gz PAANSUSIVHIBCN-UHFFFAOYSA-N 1 0 231.339 3.299 20 10 BGCDRO Cc1ccoc1C[N@@H+](C)Cc1cc(C)ccc1O ZINC000292816193 398109381 /nfs/dbraw/zinc/10/93/81/398109381.db2.gz PJNMSHRMXMTPMJ-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1Cc1c(O)cccc1Cl ZINC000292831956 171023444 /nfs/dbraw/zinc/02/34/44/171023444.db2.gz RJFDHVAFKTZSKK-SECBINFHSA-N 1 0 225.719 3.030 20 10 BGCDRO CC[C@H]1CC[N@@H+]1Cc1c(O)cccc1Cl ZINC000292831960 386733150 /nfs/dbraw/zinc/73/31/50/386733150.db2.gz RJFDHVAFKTZSKK-VIFPVBQESA-N 1 0 225.719 3.030 20 10 BGCDRO Cc1ccoc1C[N@@H+](C)Cc1cccc(C)c1O ZINC000292852146 386736668 /nfs/dbraw/zinc/73/66/68/386736668.db2.gz UERBBUDOSLAGOU-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO CC(C)C1([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000292856807 387584275 /nfs/dbraw/zinc/58/42/75/387584275.db2.gz AIPKHZABPFCKRN-UHFFFAOYSA-N 1 0 232.371 3.031 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+]C2(C(C)C)CC2)c1 ZINC000292902930 386746435 /nfs/dbraw/zinc/74/64/35/386746435.db2.gz DWDMHDZUCSMNRW-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+]C2(C(C)C)CC2)c1O ZINC000292974496 387339894 /nfs/dbraw/zinc/33/98/94/387339894.db2.gz KPTAAKVJPKFTNM-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1ccoc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000293215373 398179186 /nfs/dbraw/zinc/17/91/86/398179186.db2.gz AFUDOCJJVAGUIQ-JTQLQIEISA-N 1 0 249.285 3.284 20 10 BGCDRO Cc1ccoc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000293215383 179530095 /nfs/dbraw/zinc/53/00/95/179530095.db2.gz AFUDOCJJVAGUIQ-SNVBAGLBSA-N 1 0 249.285 3.284 20 10 BGCDRO Cc1ccoc1C[NH2+][C@H](C)c1ccccc1O ZINC000293252738 386790496 /nfs/dbraw/zinc/79/04/96/386790496.db2.gz BRNJCRCOLFUAGH-LLVKDONJSA-N 1 0 231.295 3.144 20 10 BGCDRO Cc1ccoc1C[NH2+][C@@H](C)c1ccccc1O ZINC000293252747 386789182 /nfs/dbraw/zinc/78/91/82/386789182.db2.gz BRNJCRCOLFUAGH-NSHDSACASA-N 1 0 231.295 3.144 20 10 BGCDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1O ZINC000293387509 386839794 /nfs/dbraw/zinc/83/97/94/386839794.db2.gz IQOZPJMTPWJBCO-SECBINFHSA-N 1 0 241.281 3.088 20 10 BGCDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1O ZINC000293387512 386841404 /nfs/dbraw/zinc/84/14/04/386841404.db2.gz IQOZPJMTPWJBCO-VIFPVBQESA-N 1 0 241.281 3.088 20 10 BGCDRO CC(C)C1([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000293634887 386852180 /nfs/dbraw/zinc/85/21/80/386852180.db2.gz GTLPMOQSYHPZFO-JTQLQIEISA-N 1 0 237.318 3.371 20 10 BGCDRO CC(C)C1([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000293634888 386851798 /nfs/dbraw/zinc/85/17/98/386851798.db2.gz GTLPMOQSYHPZFO-SNVBAGLBSA-N 1 0 237.318 3.371 20 10 BGCDRO COC1(CC[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000293694775 388359865 /nfs/dbraw/zinc/35/98/65/388359865.db2.gz CDGUSGBWYNXLHZ-GFCCVEGCSA-N 1 0 249.354 3.002 20 10 BGCDRO COC1(CC[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000293694779 388360082 /nfs/dbraw/zinc/36/00/82/388360082.db2.gz CDGUSGBWYNXLHZ-LBPRGKRZSA-N 1 0 249.354 3.002 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000293732017 175160804 /nfs/dbraw/zinc/16/08/04/175160804.db2.gz OMYZBQSQVUGJAS-LLVKDONJSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2(C(C)C)CC2)c1 ZINC000293732019 175160650 /nfs/dbraw/zinc/16/06/50/175160650.db2.gz OMYZBQSQVUGJAS-NSHDSACASA-N 1 0 249.354 3.240 20 10 BGCDRO CC(C)C1([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000293785655 166754535 /nfs/dbraw/zinc/75/45/35/166754535.db2.gz TYIMIECZCGJCRD-LLVKDONJSA-N 1 0 219.328 3.231 20 10 BGCDRO CC(C)C1([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000293785659 384107959 /nfs/dbraw/zinc/10/79/59/384107959.db2.gz TYIMIECZCGJCRD-NSHDSACASA-N 1 0 219.328 3.231 20 10 BGCDRO Cc1ccoc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000293813016 384600052 /nfs/dbraw/zinc/60/00/52/384600052.db2.gz VSJYEMHLQVKGBI-GFCCVEGCSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1ccoc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000293813020 384604991 /nfs/dbraw/zinc/60/49/91/384604991.db2.gz VSJYEMHLQVKGBI-LBPRGKRZSA-N 1 0 245.322 3.453 20 10 BGCDRO CCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000293867162 169287390 /nfs/dbraw/zinc/28/73/90/169287390.db2.gz UTJOYZRTKYWLRF-LLVKDONJSA-N 1 0 207.317 3.070 20 10 BGCDRO CCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000293867180 169275587 /nfs/dbraw/zinc/27/55/87/169275587.db2.gz UTJOYZRTKYWLRF-NSHDSACASA-N 1 0 207.317 3.070 20 10 BGCDRO Cc1ccoc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000293888168 384005667 /nfs/dbraw/zinc/00/56/67/384005667.db2.gz YZKUUGWMOSKTMF-GFCCVEGCSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1ccoc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000293888172 384005433 /nfs/dbraw/zinc/00/54/33/384005433.db2.gz YZKUUGWMOSKTMF-LBPRGKRZSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2CC2)c(O)c1 ZINC000293950572 388394519 /nfs/dbraw/zinc/39/45/19/388394519.db2.gz ZFEUWBUTUOQGBU-LLVKDONJSA-N 1 0 219.328 3.070 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2CC2)c(O)c1 ZINC000293950575 388393853 /nfs/dbraw/zinc/39/38/53/388393853.db2.gz ZFEUWBUTUOQGBU-NSHDSACASA-N 1 0 219.328 3.070 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000294111529 388394811 /nfs/dbraw/zinc/39/48/11/388394811.db2.gz CVRXKPXKASIHCQ-JTQLQIEISA-N 1 0 243.297 3.397 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(C)(F)F)c1 ZINC000294111537 388394974 /nfs/dbraw/zinc/39/49/74/388394974.db2.gz CVRXKPXKASIHCQ-SNVBAGLBSA-N 1 0 243.297 3.397 20 10 BGCDRO C[C@@H]([NH2+]CCC(C)(F)F)c1cc(F)ccc1O ZINC000294115469 384721849 /nfs/dbraw/zinc/72/18/49/384721849.db2.gz DFLVILDZXKNQEQ-MRVPVSSYSA-N 1 0 247.260 3.227 20 10 BGCDRO C[C@H]([NH2+]CCC(C)(F)F)c1cc(F)ccc1O ZINC000294115472 384721829 /nfs/dbraw/zinc/72/18/29/384721829.db2.gz DFLVILDZXKNQEQ-QMMMGPOBSA-N 1 0 247.260 3.227 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCC(C)(F)F)c(O)c1 ZINC000294256443 384701519 /nfs/dbraw/zinc/70/15/19/384701519.db2.gz QMHAHECDDILYRP-JTQLQIEISA-N 1 0 243.297 3.397 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCC(C)(F)F)c(O)c1 ZINC000294256445 384699642 /nfs/dbraw/zinc/69/96/42/384699642.db2.gz QMHAHECDDILYRP-SNVBAGLBSA-N 1 0 243.297 3.397 20 10 BGCDRO CC[C@@H]([NH2+]CCC(C)(F)F)c1ccccc1O ZINC000294269505 384711751 /nfs/dbraw/zinc/71/17/51/384711751.db2.gz RQTJBRSRGSEMHP-LLVKDONJSA-N 1 0 243.297 3.478 20 10 BGCDRO CC[C@H]([NH2+]CCC(C)(F)F)c1ccccc1O ZINC000294269512 384709560 /nfs/dbraw/zinc/70/95/60/384709560.db2.gz RQTJBRSRGSEMHP-NSHDSACASA-N 1 0 243.297 3.478 20 10 BGCDRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccccc1O ZINC000294275111 384714085 /nfs/dbraw/zinc/71/40/85/384714085.db2.gz SDXYYXUZIMGVBS-SECBINFHSA-N 1 0 229.270 3.088 20 10 BGCDRO C[C@H]([NH2+]CCC(C)(F)F)c1ccccc1O ZINC000294275116 176839990 /nfs/dbraw/zinc/83/99/90/176839990.db2.gz SDXYYXUZIMGVBS-VIFPVBQESA-N 1 0 229.270 3.088 20 10 BGCDRO CC(F)(F)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000294292671 384732519 /nfs/dbraw/zinc/73/25/19/384732519.db2.gz UIGYRUFSOLCRSA-JTQLQIEISA-N 1 0 241.281 3.014 20 10 BGCDRO CC(F)(F)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000294292678 384732616 /nfs/dbraw/zinc/73/26/16/384732616.db2.gz UIGYRUFSOLCRSA-SNVBAGLBSA-N 1 0 241.281 3.014 20 10 BGCDRO CC(F)(F)CC[NH2+]Cc1c(O)cccc1Cl ZINC000294302021 388398908 /nfs/dbraw/zinc/39/89/08/388398908.db2.gz VCYBSSLEZJHPIW-UHFFFAOYSA-N 1 0 249.688 3.181 20 10 BGCDRO CCC1([NH2+]Cc2ccccc2O)CCCC1 ZINC000294403863 384825485 /nfs/dbraw/zinc/82/54/85/384825485.db2.gz LPQSAHOZXBXGNA-UHFFFAOYSA-N 1 0 219.328 3.205 20 10 BGCDRO CCC1([NH2+]Cc2cccc(OC)c2O)CCCC1 ZINC000294412032 398344561 /nfs/dbraw/zinc/34/45/61/398344561.db2.gz NALOQUYJTMJACG-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO CCC1([NH2+]Cc2cc(OC)ccc2O)CCCC1 ZINC000294489701 384890286 /nfs/dbraw/zinc/89/02/86/384890286.db2.gz YIAGZEBYEKEAHA-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO Cc1cccc(C[NH2+]CCCC(C)(F)F)c1O ZINC000294658835 179089405 /nfs/dbraw/zinc/08/94/05/179089405.db2.gz AFAXGGLQCZNTFJ-UHFFFAOYSA-N 1 0 243.297 3.226 20 10 BGCDRO CCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1 ZINC000294812819 410580444 /nfs/dbraw/zinc/58/04/44/410580444.db2.gz OAVVAXJWQZEAPU-UHFFFAOYSA-N 1 0 219.328 3.036 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1O ZINC000294823847 171541067 /nfs/dbraw/zinc/54/10/67/171541067.db2.gz PEGXUPBCPGPXLY-GXTWGEPZSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1O ZINC000294823852 385244347 /nfs/dbraw/zinc/24/43/47/385244347.db2.gz PEGXUPBCPGPXLY-JSGCOSHPSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1O ZINC000294823857 170913853 /nfs/dbraw/zinc/91/38/53/170913853.db2.gz PEGXUPBCPGPXLY-OCCSQVGLSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1O ZINC000294823863 346290727 /nfs/dbraw/zinc/29/07/27/346290727.db2.gz PEGXUPBCPGPXLY-TZMCWYRMSA-N 1 0 249.354 3.000 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CC(C)C2)c(O)c1 ZINC000294886856 385909823 /nfs/dbraw/zinc/90/98/23/385909823.db2.gz VEGWVHTVRWUIBY-YDGIUTOCSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CC(C)C2)c(O)c1 ZINC000294886861 385908816 /nfs/dbraw/zinc/90/88/16/385908816.db2.gz VEGWVHTVRWUIBY-YXMLORGKSA-N 1 0 233.355 3.458 20 10 BGCDRO CCC1([NH2+]Cc2cc(C)c(C)cc2O)CC1 ZINC000294889677 385909726 /nfs/dbraw/zinc/90/97/26/385909726.db2.gz WJWFPPSMPMIPKM-UHFFFAOYSA-N 1 0 219.328 3.041 20 10 BGCDRO CC[C@@H]([NH2+]C1(CC)CC1)c1ccccc1O ZINC000294889734 385908982 /nfs/dbraw/zinc/90/89/82/385908982.db2.gz WKGPLRJUHFOAHE-GFCCVEGCSA-N 1 0 219.328 3.376 20 10 BGCDRO CC[C@H]([NH2+]C1(CC)CC1)c1ccccc1O ZINC000294889738 385909034 /nfs/dbraw/zinc/90/90/34/385909034.db2.gz WKGPLRJUHFOAHE-LBPRGKRZSA-N 1 0 219.328 3.376 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]C2CCC2)c(O)c1 ZINC000294897724 388405370 /nfs/dbraw/zinc/40/53/70/388405370.db2.gz VUGBBXZTGLAQDC-LLVKDONJSA-N 1 0 219.328 3.212 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]C2CCC2)c(O)c1 ZINC000294897725 388405331 /nfs/dbraw/zinc/40/53/31/388405331.db2.gz VUGBBXZTGLAQDC-NSHDSACASA-N 1 0 219.328 3.212 20 10 BGCDRO CC/C=C/C[NH2+][C@@H](CC)c1ccccc1O ZINC000295051371 385406500 /nfs/dbraw/zinc/40/65/00/385406500.db2.gz PPKNMNYCBWHQDY-LJLILKBBSA-N 1 0 219.328 3.399 20 10 BGCDRO CC/C=C/C[NH2+][C@H](CC)c1ccccc1O ZINC000295052955 385405933 /nfs/dbraw/zinc/40/59/33/385405933.db2.gz PPKNMNYCBWHQDY-OQHXTRMZSA-N 1 0 219.328 3.399 20 10 BGCDRO CC/C=C/C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000295105491 385439018 /nfs/dbraw/zinc/43/90/18/385439018.db2.gz VMHXNNBUZGQRFO-MVIFTORASA-N 1 0 235.327 3.018 20 10 BGCDRO CC/C=C/C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000295105494 385439997 /nfs/dbraw/zinc/43/99/97/385439997.db2.gz VMHXNNBUZGQRFO-QRGHLMKCSA-N 1 0 235.327 3.018 20 10 BGCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000295175410 385469003 /nfs/dbraw/zinc/46/90/03/385469003.db2.gz LYILYFOASJDDEQ-LLVKDONJSA-N 1 0 221.344 3.307 20 10 BGCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1O ZINC000295175412 385468792 /nfs/dbraw/zinc/46/87/92/385468792.db2.gz LYILYFOASJDDEQ-NSHDSACASA-N 1 0 221.344 3.307 20 10 BGCDRO Cc1sccc1C[N@@H+](C)Cc1ccccc1O ZINC000295415574 386029792 /nfs/dbraw/zinc/02/97/92/386029792.db2.gz RVTLAQWVYBPNRD-UHFFFAOYSA-N 1 0 247.363 3.394 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@](C)(F)C2)c1 ZINC000295580208 386056132 /nfs/dbraw/zinc/05/61/32/386056132.db2.gz BJRRMTXZXZWHDX-AWEZNQCLSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@](C)(F)C2)c1 ZINC000295580210 386056362 /nfs/dbraw/zinc/05/63/62/386056362.db2.gz BJRRMTXZXZWHDX-CQSZACIVSA-N 1 0 237.318 3.025 20 10 BGCDRO CC(C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295767255 388413440 /nfs/dbraw/zinc/41/34/40/388413440.db2.gz ABJKHGAEPNRMJM-GFCCVEGCSA-N 1 0 219.328 3.015 20 10 BGCDRO CC(C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295767257 388413551 /nfs/dbraw/zinc/41/35/51/388413551.db2.gz ABJKHGAEPNRMJM-LBPRGKRZSA-N 1 0 219.328 3.015 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000295797244 183297389 /nfs/dbraw/zinc/29/73/89/183297389.db2.gz BWKJCAKSHFBESM-CYBMUJFWSA-N 1 0 243.350 3.158 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]C(C1CC1)C1CC1)CC2 ZINC000295797247 183297171 /nfs/dbraw/zinc/29/71/71/183297171.db2.gz BWKJCAKSHFBESM-ZDUSSCGKSA-N 1 0 243.350 3.158 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccccc1)CC2 ZINC000295807341 183297151 /nfs/dbraw/zinc/29/71/51/183297151.db2.gz CLMCXHLBKBXKGS-AWEZNQCLSA-N 1 0 239.318 3.169 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccccc1)CC2 ZINC000295807343 183298250 /nfs/dbraw/zinc/29/82/50/183298250.db2.gz CLMCXHLBKBXKGS-CQSZACIVSA-N 1 0 239.318 3.169 20 10 BGCDRO CCC(CC)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295821805 168391623 /nfs/dbraw/zinc/39/16/23/168391623.db2.gz DIOQUGJPZIVVGG-GFCCVEGCSA-N 1 0 219.328 3.158 20 10 BGCDRO CCC(CC)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295821809 168394357 /nfs/dbraw/zinc/39/43/57/168394357.db2.gz DIOQUGJPZIVVGG-LBPRGKRZSA-N 1 0 219.328 3.158 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1ccsc1)CC2 ZINC000295821938 183299048 /nfs/dbraw/zinc/29/90/48/183299048.db2.gz DJLNRHJITKWQJG-GFCCVEGCSA-N 1 0 245.347 3.231 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1ccsc1)CC2 ZINC000295821941 183296945 /nfs/dbraw/zinc/29/69/45/183296945.db2.gz DJLNRHJITKWQJG-LBPRGKRZSA-N 1 0 245.347 3.231 20 10 BGCDRO CCC1([NH2+][C@H](C)c2ccc(F)cc2[O-])CC1 ZINC000295833224 386092592 /nfs/dbraw/zinc/09/25/92/386092592.db2.gz ABCHSWLVAFSWQJ-SECBINFHSA-N 1 0 223.291 3.125 20 10 BGCDRO CCC1([NH2+][C@@H](C)c2ccc(F)cc2[O-])CC1 ZINC000295833227 386093026 /nfs/dbraw/zinc/09/30/26/386093026.db2.gz ABCHSWLVAFSWQJ-VIFPVBQESA-N 1 0 223.291 3.125 20 10 BGCDRO CCC1([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000295841999 386092388 /nfs/dbraw/zinc/09/23/88/386092388.db2.gz ANSOOQTXVVMKHA-LLVKDONJSA-N 1 0 219.328 3.294 20 10 BGCDRO CCC1([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000295842004 386092692 /nfs/dbraw/zinc/09/26/92/386092692.db2.gz ANSOOQTXVVMKHA-NSHDSACASA-N 1 0 219.328 3.294 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000295882920 183298676 /nfs/dbraw/zinc/29/86/76/183298676.db2.gz HTUSZFHYMIOCQS-GXTWGEPZSA-N 1 0 243.350 3.325 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CC=CCC1)CC2 ZINC000295882926 183297529 /nfs/dbraw/zinc/29/75/29/183297529.db2.gz HTUSZFHYMIOCQS-JSGCOSHPSA-N 1 0 243.350 3.325 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000295882931 183296993 /nfs/dbraw/zinc/29/69/93/183296993.db2.gz HTUSZFHYMIOCQS-OCCSQVGLSA-N 1 0 243.350 3.325 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CC=CCC1)CC2 ZINC000295882937 183297301 /nfs/dbraw/zinc/29/73/01/183297301.db2.gz HTUSZFHYMIOCQS-TZMCWYRMSA-N 1 0 243.350 3.325 20 10 BGCDRO CC[C@@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000295891852 386101452 /nfs/dbraw/zinc/10/14/52/386101452.db2.gz IDNRRCCMLLTIGC-NEPJUHHUSA-N 1 0 221.344 3.458 20 10 BGCDRO CC[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000295891855 171348027 /nfs/dbraw/zinc/34/80/27/171348027.db2.gz IDNRRCCMLLTIGC-NWDGAFQWSA-N 1 0 221.344 3.458 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000295891858 171346520 /nfs/dbraw/zinc/34/65/20/171346520.db2.gz IDNRRCCMLLTIGC-RYUDHWBXSA-N 1 0 221.344 3.458 20 10 BGCDRO CC[C@@H](C)[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000295891862 386102095 /nfs/dbraw/zinc/10/20/95/386102095.db2.gz IDNRRCCMLLTIGC-VXGBXAGGSA-N 1 0 221.344 3.458 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]CC1CCCC1)CC2 ZINC000295967161 183296959 /nfs/dbraw/zinc/29/69/59/183296959.db2.gz MKKRLPRWCCCLRV-CYBMUJFWSA-N 1 0 231.339 3.159 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1CCCC1)CC2 ZINC000295967166 183296949 /nfs/dbraw/zinc/29/69/49/183296949.db2.gz MKKRLPRWCCCLRV-ZDUSSCGKSA-N 1 0 231.339 3.159 20 10 BGCDRO CC(F)(F)CCC[NH2+]Cc1cc(F)ccc1O ZINC000296021871 388416795 /nfs/dbraw/zinc/41/67/95/388416795.db2.gz MMGKOSPTPIBAQC-UHFFFAOYSA-N 1 0 247.260 3.056 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]Cc1cccs1)CC2 ZINC000296036827 183298790 /nfs/dbraw/zinc/29/87/90/183298790.db2.gz QKZMADVMDFNQBP-GFCCVEGCSA-N 1 0 245.347 3.231 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]Cc1cccs1)CC2 ZINC000296036829 183296687 /nfs/dbraw/zinc/29/66/87/183296687.db2.gz QKZMADVMDFNQBP-LBPRGKRZSA-N 1 0 245.347 3.231 20 10 BGCDRO CC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296061052 388417070 /nfs/dbraw/zinc/41/70/70/388417070.db2.gz RRCMSMWHMUCUJP-LLVKDONJSA-N 1 0 219.328 3.015 20 10 BGCDRO CC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296061056 166591445 /nfs/dbraw/zinc/59/14/45/166591445.db2.gz RRCMSMWHMUCUJP-NSHDSACASA-N 1 0 219.328 3.015 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@](C)(F)C2)c1O ZINC000296074630 179075977 /nfs/dbraw/zinc/07/59/77/179075977.db2.gz QCPQHAWWMXOWJG-AWEZNQCLSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@@](C)(F)C2)c1O ZINC000296074634 179075715 /nfs/dbraw/zinc/07/57/15/179075715.db2.gz QCPQHAWWMXOWJG-CQSZACIVSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CCC(C)(F)F)cc1C ZINC000296201150 178197343 /nfs/dbraw/zinc/19/73/43/178197343.db2.gz ZDTIZKGARINWKC-UHFFFAOYSA-N 1 0 243.297 3.144 20 10 BGCDRO CC/C=C/C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000296241591 398208292 /nfs/dbraw/zinc/20/82/92/398208292.db2.gz CNDXUYBHFCQKTD-ORAHPGNNSA-N 1 0 223.291 3.148 20 10 BGCDRO CC/C=C/C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000296241596 398208360 /nfs/dbraw/zinc/20/83/60/398208360.db2.gz CNDXUYBHFCQKTD-YEZKRMTDSA-N 1 0 223.291 3.148 20 10 BGCDRO CC/C=C/C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000296293289 410006530 /nfs/dbraw/zinc/00/65/30/410006530.db2.gz FOKVHAXWKKPFQG-BTDICHCPSA-N 1 0 219.328 3.317 20 10 BGCDRO CC/C=C/C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000296293293 410006038 /nfs/dbraw/zinc/00/60/38/410006038.db2.gz FOKVHAXWKKPFQG-FYJFLYSWSA-N 1 0 219.328 3.317 20 10 BGCDRO CC/C=C/C[NH2+][C@H](C)c1ccccc1O ZINC000296364039 388423028 /nfs/dbraw/zinc/42/30/28/388423028.db2.gz IWSZNBHEWHWLMY-TZOMUSMUSA-N 1 0 205.301 3.009 20 10 BGCDRO CC/C=C/C[NH2+][C@@H](C)c1ccccc1O ZINC000296364041 388423251 /nfs/dbraw/zinc/42/32/51/388423251.db2.gz IWSZNBHEWHWLMY-ZPMKCOPCSA-N 1 0 205.301 3.009 20 10 BGCDRO CC(C)=CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296438345 535357959 /nfs/dbraw/zinc/35/79/59/535357959.db2.gz MLYXMUULYVPUCO-CYBMUJFWSA-N 1 0 231.339 3.325 20 10 BGCDRO CC(C)=CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296438348 535358004 /nfs/dbraw/zinc/35/80/04/535358004.db2.gz MLYXMUULYVPUCO-ZDUSSCGKSA-N 1 0 231.339 3.325 20 10 BGCDRO CC1(CC[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296501009 168022591 /nfs/dbraw/zinc/02/25/91/168022591.db2.gz QBRZKDVZXCBEFY-GFCCVEGCSA-N 1 0 231.339 3.159 20 10 BGCDRO CC1(CC[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296501024 168021932 /nfs/dbraw/zinc/02/19/32/168021932.db2.gz QBRZKDVZXCBEFY-LBPRGKRZSA-N 1 0 231.339 3.159 20 10 BGCDRO CCC1([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000296620255 487790719 /nfs/dbraw/zinc/79/07/19/487790719.db2.gz WVHJZLNVJJEXRF-LLVKDONJSA-N 1 0 219.328 3.294 20 10 BGCDRO CCC1([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000296620259 487790244 /nfs/dbraw/zinc/79/02/44/487790244.db2.gz WVHJZLNVJJEXRF-NSHDSACASA-N 1 0 219.328 3.294 20 10 BGCDRO CC/C=C/C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000296622596 535244664 /nfs/dbraw/zinc/24/46/64/535244664.db2.gz WZOIMNOGJPLWRI-BTDICHCPSA-N 1 0 219.328 3.317 20 10 BGCDRO CC/C=C/C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000296622599 535245514 /nfs/dbraw/zinc/24/55/14/535245514.db2.gz WZOIMNOGJPLWRI-FYJFLYSWSA-N 1 0 219.328 3.317 20 10 BGCDRO CCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000296638864 388425196 /nfs/dbraw/zinc/42/51/96/388425196.db2.gz CSDMUXUONXFESL-GFCCVEGCSA-N 1 0 231.339 3.159 20 10 BGCDRO CCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000296638868 388425376 /nfs/dbraw/zinc/42/53/76/388425376.db2.gz CSDMUXUONXFESL-LBPRGKRZSA-N 1 0 231.339 3.159 20 10 BGCDRO CCC1([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000296660359 386189854 /nfs/dbraw/zinc/18/98/54/386189854.db2.gz ZSZJQFKUIAONOD-SECBINFHSA-N 1 0 223.291 3.125 20 10 BGCDRO CCC1([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000296660361 386190881 /nfs/dbraw/zinc/19/08/81/386190881.db2.gz ZSZJQFKUIAONOD-VIFPVBQESA-N 1 0 223.291 3.125 20 10 BGCDRO CCC1([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000296661307 386192688 /nfs/dbraw/zinc/19/26/88/386192688.db2.gz ZUNSTHFLXPSOIM-GFCCVEGCSA-N 1 0 232.371 3.346 20 10 BGCDRO CCC1([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000296661310 386192714 /nfs/dbraw/zinc/19/27/14/386192714.db2.gz ZUNSTHFLXPSOIM-LBPRGKRZSA-N 1 0 232.371 3.346 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]CC1(C3CC3)CC1)CC2 ZINC000296685990 183297190 /nfs/dbraw/zinc/29/71/90/183297190.db2.gz GVHGVSISMFAHAH-CYBMUJFWSA-N 1 0 243.350 3.159 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1(C3CC3)CC1)CC2 ZINC000296685992 183296616 /nfs/dbraw/zinc/29/66/16/183296616.db2.gz GVHGVSISMFAHAH-ZDUSSCGKSA-N 1 0 243.350 3.159 20 10 BGCDRO CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CCC1 ZINC000296814877 487813156 /nfs/dbraw/zinc/81/31/56/487813156.db2.gz LXWGDFWMRFSDAU-GFCCVEGCSA-N 1 0 231.339 3.159 20 10 BGCDRO CC1(C[NH2+][C@H]2CCc3cccc(O)c32)CCC1 ZINC000296814880 487812900 /nfs/dbraw/zinc/81/29/00/487812900.db2.gz LXWGDFWMRFSDAU-LBPRGKRZSA-N 1 0 231.339 3.159 20 10 BGCDRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296854865 176132253 /nfs/dbraw/zinc/13/22/53/176132253.db2.gz NKJYQKKCDYONEF-KGYLQXTDSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296854871 176150338 /nfs/dbraw/zinc/15/03/38/176150338.db2.gz NKJYQKKCDYONEF-RAIGVLPGSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296854877 176151316 /nfs/dbraw/zinc/15/13/16/176151316.db2.gz NKJYQKKCDYONEF-RTXFEEFZSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296854880 176133140 /nfs/dbraw/zinc/13/31/40/176133140.db2.gz NKJYQKKCDYONEF-WXHSDQCUSA-N 1 0 231.339 3.158 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CC=CCC1)CC2 ZINC000297037413 364788656 /nfs/dbraw/zinc/78/86/56/364788656.db2.gz VCLKZJGAUQPMTO-CHWSQXEVSA-N 1 0 229.323 3.078 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CC=CCC1)CC2 ZINC000297037416 364788297 /nfs/dbraw/zinc/78/82/97/364788297.db2.gz VCLKZJGAUQPMTO-OLZOCXBDSA-N 1 0 229.323 3.078 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CC=CCC1)CC2 ZINC000297037419 364788754 /nfs/dbraw/zinc/78/87/54/364788754.db2.gz VCLKZJGAUQPMTO-QWHCGFSZSA-N 1 0 229.323 3.078 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CC=CCC1)CC2 ZINC000297037423 364788534 /nfs/dbraw/zinc/78/85/34/364788534.db2.gz VCLKZJGAUQPMTO-STQMWFEESA-N 1 0 229.323 3.078 20 10 BGCDRO C[C@H]([NH2+]CCCC(C)(F)F)c1ccccc1O ZINC000297222761 384267784 /nfs/dbraw/zinc/26/77/84/384267784.db2.gz HJARRQRHAAIVAF-JTQLQIEISA-N 1 0 243.297 3.478 20 10 BGCDRO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccccc1O ZINC000297222764 384267766 /nfs/dbraw/zinc/26/77/66/384267766.db2.gz HJARRQRHAAIVAF-SNVBAGLBSA-N 1 0 243.297 3.478 20 10 BGCDRO CC(C)C1([NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000297245722 386235946 /nfs/dbraw/zinc/23/59/46/386235946.db2.gz IXFIPSKPXOPDRD-GFCCVEGCSA-N 1 0 231.339 3.158 20 10 BGCDRO CC(C)C1([NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000297245725 386236387 /nfs/dbraw/zinc/23/63/87/386236387.db2.gz IXFIPSKPXOPDRD-LBPRGKRZSA-N 1 0 231.339 3.158 20 10 BGCDRO Oc1ccccc1C[NH+]1CC2(C1)CCCCC2 ZINC000297287663 183302628 /nfs/dbraw/zinc/30/26/28/183302628.db2.gz AFBFRLUQZAOMLU-UHFFFAOYSA-N 1 0 231.339 3.158 20 10 BGCDRO CCC1(CC)C[NH+](Cc2cccc(OC)c2O)C1 ZINC000297369604 384629792 /nfs/dbraw/zinc/62/97/92/384629792.db2.gz HLKFUGWHDAYXAS-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO COC1(C[NH2+][C@H](C)c2ccccc2O)CCCC1 ZINC000297431646 174005215 /nfs/dbraw/zinc/00/52/15/174005215.db2.gz VJIWULPWDJPLNN-GFCCVEGCSA-N 1 0 249.354 3.002 20 10 BGCDRO COC1(C[NH2+][C@@H](C)c2ccccc2O)CCCC1 ZINC000297431649 174004043 /nfs/dbraw/zinc/00/40/43/174004043.db2.gz VJIWULPWDJPLNN-LBPRGKRZSA-N 1 0 249.354 3.002 20 10 BGCDRO CCOc1cccc(C[NH+]2CC(C)(CC)C2)c1O ZINC000297511910 386261996 /nfs/dbraw/zinc/26/19/96/386261996.db2.gz XIVTYFRGRWIHKC-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC(C)([NH2+]Cc1ccccc1O)c1ccccc1 ZINC000299527350 188121731 /nfs/dbraw/zinc/12/17/31/188121731.db2.gz FVXGOWKZIKKFGK-UHFFFAOYSA-N 1 0 241.334 3.417 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@H](C)C1 ZINC000300416164 592511796 /nfs/dbraw/zinc/51/17/96/592511796.db2.gz LVSUFJWTRCBXPK-GHMZBOCLSA-N 1 0 237.318 3.152 20 10 BGCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1O ZINC000300891774 585702917 /nfs/dbraw/zinc/70/29/17/585702917.db2.gz JZNMKPPNANRLNX-GFCCVEGCSA-N 1 0 221.344 3.164 20 10 BGCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccccc1O ZINC000300891776 585702803 /nfs/dbraw/zinc/70/28/03/585702803.db2.gz JZNMKPPNANRLNX-LBPRGKRZSA-N 1 0 221.344 3.164 20 10 BGCDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1ccccc1O ZINC000308751991 631564742 /nfs/dbraw/zinc/56/47/42/631564742.db2.gz NICPLQXJNWHGER-DOMZBBRYSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1ccccc1O ZINC000308751992 631361533 /nfs/dbraw/zinc/36/15/33/631361533.db2.gz NICPLQXJNWHGER-IUODEOHRSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1ccccc1O ZINC000308751993 631564000 /nfs/dbraw/zinc/56/40/00/631564000.db2.gz NICPLQXJNWHGER-SWLSCSKDSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1ccccc1O ZINC000308751994 631564353 /nfs/dbraw/zinc/56/43/53/631564353.db2.gz NICPLQXJNWHGER-WFASDCNBSA-N 1 0 233.355 3.451 20 10 BGCDRO C[C@@H]([NH2+]C/C(Cl)=C\Cl)c1ccccc1O ZINC000308826633 631870740 /nfs/dbraw/zinc/87/07/40/631870740.db2.gz AKLCWKJZEZTZRH-GTUWVTDSSA-N 1 0 246.137 3.362 20 10 BGCDRO C[C@H]([NH2+]C/C(Cl)=C/Cl)c1ccccc1O ZINC000308826637 631870778 /nfs/dbraw/zinc/87/07/78/631870778.db2.gz AKLCWKJZEZTZRH-HWPCKVLBSA-N 1 0 246.137 3.362 20 10 BGCDRO C[C@@H]([NH2+]C/C(Cl)=C/Cl)c1ccccc1O ZINC000308826642 631871654 /nfs/dbraw/zinc/87/16/54/631871654.db2.gz AKLCWKJZEZTZRH-WSQKDGNHSA-N 1 0 246.137 3.362 20 10 BGCDRO CCC[NH2+][C@H](C)c1cc(Cl)cc(C)c1O ZINC000309064419 631830064 /nfs/dbraw/zinc/83/00/64/631830064.db2.gz YLOKKJNKKGJWQG-SECBINFHSA-N 1 0 227.735 3.415 20 10 BGCDRO CCC[NH2+][C@@H](C)c1cc(Cl)cc(C)c1O ZINC000309064421 631830020 /nfs/dbraw/zinc/83/00/20/631830020.db2.gz YLOKKJNKKGJWQG-VIFPVBQESA-N 1 0 227.735 3.415 20 10 BGCDRO CC[C@@H]([NH2+]C/C=C/Cl)c1ccccc1O ZINC000309067029 631829789 /nfs/dbraw/zinc/82/97/89/631829789.db2.gz AAMYJNYQZLDVQZ-AYLMVEPYSA-N 1 0 225.719 3.185 20 10 BGCDRO CC[C@H]([NH2+]C/C=C/Cl)c1ccccc1O ZINC000309067030 631829946 /nfs/dbraw/zinc/82/99/46/631829946.db2.gz AAMYJNYQZLDVQZ-BWNDKRECSA-N 1 0 225.719 3.185 20 10 BGCDRO CC[C@H]([NH2+]C/C=C\Cl)c1ccccc1O ZINC000309067032 631831375 /nfs/dbraw/zinc/83/13/75/631831375.db2.gz AAMYJNYQZLDVQZ-OFSNVTPPSA-N 1 0 225.719 3.185 20 10 BGCDRO CC[C@@H]([NH2+]C/C=C\Cl)c1ccccc1O ZINC000309067033 631830430 /nfs/dbraw/zinc/83/04/30/631830430.db2.gz AAMYJNYQZLDVQZ-UIJKISKDSA-N 1 0 225.719 3.185 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCCF)c1 ZINC000309195169 632755578 /nfs/dbraw/zinc/75/55/78/632755578.db2.gz AGWIRZZDQSYATN-LLVKDONJSA-N 1 0 225.307 3.101 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCCF)c1 ZINC000309195172 632756846 /nfs/dbraw/zinc/75/68/46/632756846.db2.gz AGWIRZZDQSYATN-NSHDSACASA-N 1 0 225.307 3.101 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccccc1O ZINC000309200574 631969844 /nfs/dbraw/zinc/96/98/44/631969844.db2.gz LFZJZWFLZCEUJN-DRZSPHRISA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccccc1O ZINC000309200575 631969102 /nfs/dbraw/zinc/96/91/02/631969102.db2.gz LFZJZWFLZCEUJN-KGYLQXTDSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccccc1O ZINC000309200576 632792722 /nfs/dbraw/zinc/79/27/22/632792722.db2.gz LFZJZWFLZCEUJN-WCFLWFBJSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccccc1O ZINC000309200577 631970328 /nfs/dbraw/zinc/97/03/28/631970328.db2.gz LFZJZWFLZCEUJN-WXHSDQCUSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]([NH2+]CCCCF)c1ccccc1O ZINC000309221783 632824211 /nfs/dbraw/zinc/82/42/11/632824211.db2.gz GVPVRLIPEDKXSI-GFCCVEGCSA-N 1 0 225.307 3.183 20 10 BGCDRO CC[C@H]([NH2+]CCCCF)c1ccccc1O ZINC000309221785 631970271 /nfs/dbraw/zinc/97/02/71/631970271.db2.gz GVPVRLIPEDKXSI-LBPRGKRZSA-N 1 0 225.307 3.183 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c(O)c1 ZINC000309253743 711695744 /nfs/dbraw/zinc/69/57/44/711695744.db2.gz BWMPCYXFDLVUNC-GMXVVIOVSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c(O)c1 ZINC000309253744 632844003 /nfs/dbraw/zinc/84/40/03/632844003.db2.gz BWMPCYXFDLVUNC-GVXVVHGQSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c(O)c1 ZINC000309253745 631982493 /nfs/dbraw/zinc/98/24/93/631982493.db2.gz BWMPCYXFDLVUNC-MDZLAQPJSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c(O)c1 ZINC000309253746 632844770 /nfs/dbraw/zinc/84/47/70/632844770.db2.gz BWMPCYXFDLVUNC-NTZNESFSSA-N 1 0 219.328 3.150 20 10 BGCDRO CC(C)(C)C(C)(C)[NH2+]Cc1ccccc1O ZINC000309285853 632889672 /nfs/dbraw/zinc/88/96/72/632889672.db2.gz GMWLXIYSLVRGRO-UHFFFAOYSA-N 1 0 221.344 3.307 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCCCF)c(O)c1 ZINC000309293740 632898058 /nfs/dbraw/zinc/89/80/58/632898058.db2.gz WLLFVXHQIJEDKC-LLVKDONJSA-N 1 0 225.307 3.101 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCCCF)c(O)c1 ZINC000309293743 632898483 /nfs/dbraw/zinc/89/84/83/632898483.db2.gz WLLFVXHQIJEDKC-NSHDSACASA-N 1 0 225.307 3.101 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)C(C)C)c1 ZINC000309344810 633900187 /nfs/dbraw/zinc/90/01/87/633900187.db2.gz LKTADXCOTVXHIM-UHFFFAOYSA-N 1 0 221.344 3.225 20 10 BGCDRO CC(C)=CCC[NH2+]Cc1c(O)cccc1Cl ZINC000309417570 633039162 /nfs/dbraw/zinc/03/91/62/633039162.db2.gz ZAWNZKMBCLNJEQ-UHFFFAOYSA-N 1 0 239.746 3.492 20 10 BGCDRO C[C@@H]([NH2+]C/C=C\Cl)c1ccc(N(C)C)cc1 ZINC000309454461 633087706 /nfs/dbraw/zinc/08/77/06/633087706.db2.gz NHVWVOAVDMXKHB-KSHIFHCESA-N 1 0 238.762 3.156 20 10 BGCDRO C[C@H]([NH2+]C/C=C\Cl)c1ccc(N(C)C)cc1 ZINC000309454463 633088214 /nfs/dbraw/zinc/08/82/14/633088214.db2.gz NHVWVOAVDMXKHB-NJHLSQGMSA-N 1 0 238.762 3.156 20 10 BGCDRO C[C@@H]([NH2+]C/C=C/Cl)c1ccc(N(C)C)cc1 ZINC000309454464 633088043 /nfs/dbraw/zinc/08/80/43/633088043.db2.gz NHVWVOAVDMXKHB-VCFDLTMXSA-N 1 0 238.762 3.156 20 10 BGCDRO C[C@H]([NH2+]C/C=C/Cl)c1ccc(N(C)C)cc1 ZINC000309454465 633087288 /nfs/dbraw/zinc/08/72/88/633087288.db2.gz NHVWVOAVDMXKHB-VKJYCEFSSA-N 1 0 238.762 3.156 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC1(C)C)c1cc(Cl)ccc1O ZINC000309500276 711686868 /nfs/dbraw/zinc/68/68/68/711686868.db2.gz UUFRLIWFFXTGET-PELKAZGASA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC1(C)C)c1cc(Cl)ccc1O ZINC000309500280 633938116 /nfs/dbraw/zinc/93/81/16/633938116.db2.gz UUFRLIWFFXTGET-UFBFGSQYSA-N 1 0 239.746 3.495 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH2+]C1(C2CC2)CC1 ZINC000309530754 632474778 /nfs/dbraw/zinc/47/47/78/632474778.db2.gz VXOFKGCLCGWMEO-UHFFFAOYSA-N 1 0 237.730 3.078 20 10 BGCDRO C[C@@H]([NH2+][C@H]1C=CCCC1)c1ccccc1O ZINC000309542710 633193035 /nfs/dbraw/zinc/19/30/35/633193035.db2.gz GFSAETSHECUWTD-NEPJUHHUSA-N 1 0 217.312 3.152 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1O ZINC000309542712 633195052 /nfs/dbraw/zinc/19/50/52/633195052.db2.gz GFSAETSHECUWTD-NWDGAFQWSA-N 1 0 217.312 3.152 20 10 BGCDRO C[C@H]([NH2+][C@H]1C=CCCC1)c1ccccc1O ZINC000309542713 632481692 /nfs/dbraw/zinc/48/16/92/632481692.db2.gz GFSAETSHECUWTD-RYUDHWBXSA-N 1 0 217.312 3.152 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1C=CCCC1)c1ccccc1O ZINC000309542715 632480381 /nfs/dbraw/zinc/48/03/81/632480381.db2.gz GFSAETSHECUWTD-VXGBXAGGSA-N 1 0 217.312 3.152 20 10 BGCDRO C[C@@H]([NH2+]CC1(C)CC1)c1cc(Cl)ccc1O ZINC000309552196 632481677 /nfs/dbraw/zinc/48/16/77/632481677.db2.gz IOYRLSKMJBWLFC-SECBINFHSA-N 1 0 239.746 3.496 20 10 BGCDRO C[C@H]([NH2+]CC1(C)CC1)c1cc(Cl)ccc1O ZINC000309552198 632482106 /nfs/dbraw/zinc/48/21/06/632482106.db2.gz IOYRLSKMJBWLFC-VIFPVBQESA-N 1 0 239.746 3.496 20 10 BGCDRO CC[C@@H]([NH2+]CC(C)C)c1ccc(C)cc1O ZINC000309555784 711699235 /nfs/dbraw/zinc/69/92/35/711699235.db2.gz JPFVGNHCVNXZBZ-CYBMUJFWSA-N 1 0 221.344 3.397 20 10 BGCDRO CC[C@H]([NH2+]CC(C)C)c1ccc(C)cc1O ZINC000309555788 632493793 /nfs/dbraw/zinc/49/37/93/632493793.db2.gz JPFVGNHCVNXZBZ-ZDUSSCGKSA-N 1 0 221.344 3.397 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccccc1O ZINC000309583072 632551100 /nfs/dbraw/zinc/55/11/00/632551100.db2.gz QYBFLLIAEDBJSW-GHMZBOCLSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1O ZINC000309583073 633206542 /nfs/dbraw/zinc/20/65/42/633206542.db2.gz QYBFLLIAEDBJSW-MNOVXSKESA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccccc1O ZINC000309583074 633958688 /nfs/dbraw/zinc/95/86/88/633958688.db2.gz QYBFLLIAEDBJSW-QWRGUYRKSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1(C)CC1 ZINC000309583075 633959613 /nfs/dbraw/zinc/95/96/13/633959613.db2.gz QYBFLLIAEDBJSW-WDEREUQCSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1cc(Cl)ccc1O ZINC000309585306 632550625 /nfs/dbraw/zinc/55/06/25/632550625.db2.gz RPFZSBLHVCZPBB-AUTRQRHGSA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1cc(Cl)ccc1O ZINC000309585308 633207269 /nfs/dbraw/zinc/20/72/69/633207269.db2.gz RPFZSBLHVCZPBB-HOTUBEGUSA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1cc(Cl)ccc1O ZINC000309585309 633208200 /nfs/dbraw/zinc/20/82/00/633208200.db2.gz RPFZSBLHVCZPBB-PTRXPTGYSA-N 1 0 239.746 3.495 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1cc(Cl)ccc1O ZINC000309585311 633207354 /nfs/dbraw/zinc/20/73/54/633207354.db2.gz RPFZSBLHVCZPBB-VDDIYKPWSA-N 1 0 239.746 3.495 20 10 BGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CC2CC2)c1O ZINC000309593727 633964100 /nfs/dbraw/zinc/96/41/00/633964100.db2.gz VOJWHKNKGBDOTA-SECBINFHSA-N 1 0 239.746 3.415 20 10 BGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CC2CC2)c1O ZINC000309593728 633962948 /nfs/dbraw/zinc/96/29/48/633962948.db2.gz VOJWHKNKGBDOTA-VIFPVBQESA-N 1 0 239.746 3.415 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)C)c(O)c1 ZINC000309608118 633968531 /nfs/dbraw/zinc/96/85/31/633968531.db2.gz LWIWASOHFALGMJ-GFCCVEGCSA-N 1 0 221.344 3.316 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)C)c(O)c1 ZINC000309608120 633968657 /nfs/dbraw/zinc/96/86/57/633968657.db2.gz LWIWASOHFALGMJ-LBPRGKRZSA-N 1 0 221.344 3.316 20 10 BGCDRO Cc1cccc(C[NH2+]C(C)(C)C(C)C)c1O ZINC000309714482 632653989 /nfs/dbraw/zinc/65/39/89/632653989.db2.gz YGLXRYDNTLKIPW-UHFFFAOYSA-N 1 0 221.344 3.225 20 10 BGCDRO CC[C@@H]([NH2+]CC1CC1)c1cc(Cl)ccc1O ZINC000309717479 711700415 /nfs/dbraw/zinc/70/04/15/711700415.db2.gz UOIUCGAQBCAFJM-GFCCVEGCSA-N 1 0 239.746 3.496 20 10 BGCDRO CC[C@H]([NH2+]CC1CC1)c1cc(Cl)ccc1O ZINC000309717480 632655665 /nfs/dbraw/zinc/65/56/65/632655665.db2.gz UOIUCGAQBCAFJM-LBPRGKRZSA-N 1 0 239.746 3.496 20 10 BGCDRO CC1(C)C[C@@H]1[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000309754075 632665568 /nfs/dbraw/zinc/66/55/68/632665568.db2.gz HIACIAJXVVHPNJ-JTQLQIEISA-N 1 0 243.709 3.073 20 10 BGCDRO CC1(CC[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000309801859 633755676 /nfs/dbraw/zinc/75/56/76/633755676.db2.gz RIFJVUXOCXNDLF-UHFFFAOYSA-N 1 0 239.746 3.325 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+]CC2(C)CC2)c1O ZINC000309839597 633824411 /nfs/dbraw/zinc/82/44/11/633824411.db2.gz CLROAQUHDJAWMV-UHFFFAOYSA-N 1 0 239.746 3.244 20 10 BGCDRO CCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000309922401 632683696 /nfs/dbraw/zinc/68/36/96/632683696.db2.gz SVDXEMOWIQBYPB-PSASIEDQSA-N 1 0 223.291 3.079 20 10 BGCDRO CCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000309922402 633942465 /nfs/dbraw/zinc/94/24/65/633942465.db2.gz SVDXEMOWIQBYPB-SCZZXKLOSA-N 1 0 223.291 3.079 20 10 BGCDRO CCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000309922403 633941698 /nfs/dbraw/zinc/94/16/98/633941698.db2.gz SVDXEMOWIQBYPB-WCBMZHEXSA-N 1 0 223.291 3.079 20 10 BGCDRO CCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000309922404 633941676 /nfs/dbraw/zinc/94/16/76/633941676.db2.gz SVDXEMOWIQBYPB-WPRPVWTQSA-N 1 0 223.291 3.079 20 10 BGCDRO CC[C@@H]([NH2+]CCCF)c1cc(Cl)ccc1O ZINC000310005120 634067406 /nfs/dbraw/zinc/06/74/06/634067406.db2.gz GHLUQILFTDNOPO-LLVKDONJSA-N 1 0 245.725 3.446 20 10 BGCDRO CC[C@H]([NH2+]CCCF)c1cc(Cl)ccc1O ZINC000310005122 634066647 /nfs/dbraw/zinc/06/66/47/634066647.db2.gz GHLUQILFTDNOPO-NSHDSACASA-N 1 0 245.725 3.446 20 10 BGCDRO CC/C=C/CC[NH2+][C@@H](C)c1ccccc1O ZINC000310036000 634098678 /nfs/dbraw/zinc/09/86/78/634098678.db2.gz UIDXBMULORAPPM-ITKZLYELSA-N 1 0 219.328 3.399 20 10 BGCDRO CC/C=C\CC[NH2+][C@H](C)c1ccccc1O ZINC000310036002 634064303 /nfs/dbraw/zinc/06/43/03/634064303.db2.gz UIDXBMULORAPPM-QMAVJUDZSA-N 1 0 219.328 3.399 20 10 BGCDRO CC/C=C\CC[NH2+][C@@H](C)c1ccccc1O ZINC000310036003 634099085 /nfs/dbraw/zinc/09/90/85/634099085.db2.gz UIDXBMULORAPPM-RXNFCKPNSA-N 1 0 219.328 3.399 20 10 BGCDRO CC/C=C/CC[NH2+][C@H](C)c1ccccc1O ZINC000310036005 634098258 /nfs/dbraw/zinc/09/82/58/634098258.db2.gz UIDXBMULORAPPM-ZYOFXKKJSA-N 1 0 219.328 3.399 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CCC2(C)C)cc1C ZINC000310078954 711703016 /nfs/dbraw/zinc/70/30/16/711703016.db2.gz HUILYUANDMZDOX-AWEZNQCLSA-N 1 0 233.355 3.282 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1C ZINC000310078956 634204638 /nfs/dbraw/zinc/20/46/38/634204638.db2.gz HUILYUANDMZDOX-CQSZACIVSA-N 1 0 233.355 3.282 20 10 BGCDRO CCC(C)(C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310210632 635397262 /nfs/dbraw/zinc/39/72/62/635397262.db2.gz CJVNUQPHANROPJ-GFCCVEGCSA-N 1 0 233.355 3.405 20 10 BGCDRO CCC(C)(C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310210636 635397131 /nfs/dbraw/zinc/39/71/31/635397131.db2.gz CJVNUQPHANROPJ-LBPRGKRZSA-N 1 0 233.355 3.405 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000310224289 635425550 /nfs/dbraw/zinc/42/55/50/635425550.db2.gz FWFDNFZCXZNPOT-KGYLQXTDSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000310224290 632709339 /nfs/dbraw/zinc/70/93/39/632709339.db2.gz FWFDNFZCXZNPOT-RAIGVLPGSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000310224291 632708434 /nfs/dbraw/zinc/70/84/34/632708434.db2.gz FWFDNFZCXZNPOT-RTXFEEFZSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000310224292 632708059 /nfs/dbraw/zinc/70/80/59/632708059.db2.gz FWFDNFZCXZNPOT-WXHSDQCUSA-N 1 0 231.339 3.158 20 10 BGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310228046 632710545 /nfs/dbraw/zinc/71/05/45/632710545.db2.gz GNKPYKPRLLPTAI-DMDPSCGWSA-N 1 0 233.355 3.404 20 10 BGCDRO CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310228054 632709774 /nfs/dbraw/zinc/70/97/74/632709774.db2.gz GNKPYKPRLLPTAI-GMXVVIOVSA-N 1 0 233.355 3.404 20 10 BGCDRO CC[C@H](C)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310228062 635429880 /nfs/dbraw/zinc/42/98/80/635429880.db2.gz GNKPYKPRLLPTAI-GVXVVHGQSA-N 1 0 233.355 3.404 20 10 BGCDRO CC[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310228071 634098245 /nfs/dbraw/zinc/09/82/45/634098245.db2.gz GNKPYKPRLLPTAI-LOWVWBTDSA-N 1 0 233.355 3.404 20 10 BGCDRO C[C@@H]([NH2+]CCCCF)c1ccc(N(C)C)cc1 ZINC000310230617 635432849 /nfs/dbraw/zinc/43/28/49/635432849.db2.gz HKVVRSMEQRNKAQ-GFCCVEGCSA-N 1 0 238.350 3.153 20 10 BGCDRO C[C@H]([NH2+]CCCCF)c1ccc(N(C)C)cc1 ZINC000310230618 634096205 /nfs/dbraw/zinc/09/62/05/634096205.db2.gz HKVVRSMEQRNKAQ-LBPRGKRZSA-N 1 0 238.350 3.153 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCCC12CCCC2 ZINC000310294552 183301788 /nfs/dbraw/zinc/30/17/88/183301788.db2.gz ADKGRJVVBPCNDX-UHFFFAOYSA-N 1 0 231.339 3.301 20 10 BGCDRO CCC(CC)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310337953 634127330 /nfs/dbraw/zinc/12/73/30/634127330.db2.gz NFGYLFLWNJCXDO-CYBMUJFWSA-N 1 0 233.355 3.405 20 10 BGCDRO CCC(CC)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310337954 634127845 /nfs/dbraw/zinc/12/78/45/634127845.db2.gz NFGYLFLWNJCXDO-ZDUSSCGKSA-N 1 0 233.355 3.405 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccccc1O ZINC000310373110 635758745 /nfs/dbraw/zinc/75/87/45/635758745.db2.gz YKYFNQPSPSWSSP-NXEZZACHSA-N 1 0 241.281 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccccc1O ZINC000310373117 635758460 /nfs/dbraw/zinc/75/84/60/635758460.db2.gz YKYFNQPSPSWSSP-ZJUUUORDSA-N 1 0 241.281 3.231 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC2(C)C)cc1 ZINC000310424628 632738755 /nfs/dbraw/zinc/73/87/55/632738755.db2.gz ZTVZULRXKAXAOO-AWEZNQCLSA-N 1 0 232.371 3.031 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC2(C)C)cc1 ZINC000310424629 632737593 /nfs/dbraw/zinc/73/75/93/632737593.db2.gz ZTVZULRXKAXAOO-CQSZACIVSA-N 1 0 232.371 3.031 20 10 BGCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000310483635 632749575 /nfs/dbraw/zinc/74/95/75/632749575.db2.gz MHCBCUROISDVLV-GWCFXTLKSA-N 1 0 231.339 3.015 20 10 BGCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000310483637 634152309 /nfs/dbraw/zinc/15/23/09/634152309.db2.gz MHCBCUROISDVLV-GXFFZTMASA-N 1 0 231.339 3.015 20 10 BGCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000310483638 632749172 /nfs/dbraw/zinc/74/91/72/632749172.db2.gz MHCBCUROISDVLV-MFKMUULPSA-N 1 0 231.339 3.015 20 10 BGCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000310483639 632748823 /nfs/dbraw/zinc/74/88/23/632748823.db2.gz MHCBCUROISDVLV-ZWNOBZJWSA-N 1 0 231.339 3.015 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000310581208 632760503 /nfs/dbraw/zinc/76/05/03/632760503.db2.gz RDJOWMPBLXIVNL-ORHYLEIMSA-N 1 0 231.339 3.061 20 10 BGCDRO Oc1ccccc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000310581209 632759836 /nfs/dbraw/zinc/75/98/36/632759836.db2.gz RDJOWMPBLXIVNL-YIZWMMSDSA-N 1 0 231.339 3.061 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000310892965 633015192 /nfs/dbraw/zinc/01/51/92/633015192.db2.gz YUCZRHWMICRLMK-NUEKZKHPSA-N 1 0 244.382 3.031 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000310892966 633015620 /nfs/dbraw/zinc/01/56/20/633015620.db2.gz YUCZRHWMICRLMK-VNQPRFMTSA-N 1 0 244.382 3.031 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@@H]2C)cc1 ZINC000310911915 636685991 /nfs/dbraw/zinc/68/59/91/636685991.db2.gz HMRNWLKWKWTJSY-BBRMVZONSA-N 1 0 246.398 3.421 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC[C@H]2C)cc1 ZINC000310911916 636685900 /nfs/dbraw/zinc/68/59/00/636685900.db2.gz HMRNWLKWKWTJSY-CJNGLKHVSA-N 1 0 246.398 3.421 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@H]2C)cc1 ZINC000310911917 633016359 /nfs/dbraw/zinc/01/63/59/633016359.db2.gz HMRNWLKWKWTJSY-CZUORRHYSA-N 1 0 246.398 3.421 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C)cc1 ZINC000310911918 633015084 /nfs/dbraw/zinc/01/50/84/633015084.db2.gz HMRNWLKWKWTJSY-XJKSGUPXSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311054102 633060465 /nfs/dbraw/zinc/06/04/65/633060465.db2.gz IXZVWUOBYZFWAD-BNOWGMLFSA-N 1 0 245.366 3.405 20 10 BGCDRO C[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311054103 633061094 /nfs/dbraw/zinc/06/10/94/633061094.db2.gz IXZVWUOBYZFWAD-KWCYVHTRSA-N 1 0 245.366 3.405 20 10 BGCDRO C[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000311054104 637030688 /nfs/dbraw/zinc/03/06/88/637030688.db2.gz IXZVWUOBYZFWAD-MRVWCRGKSA-N 1 0 245.366 3.405 20 10 BGCDRO C[C@@H]1CCC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000311054105 637031007 /nfs/dbraw/zinc/03/10/07/637031007.db2.gz IXZVWUOBYZFWAD-XBFCOCLRSA-N 1 0 245.366 3.405 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CC3CCC2CC3)c1O ZINC000311064123 634209174 /nfs/dbraw/zinc/20/91/74/634209174.db2.gz KQYMJXPWGJRCFT-PIMMBPRGSA-N 1 0 245.366 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CC3CCC2CC3)c1O ZINC000311064135 634209716 /nfs/dbraw/zinc/20/97/16/634209716.db2.gz KQYMJXPWGJRCFT-SSDMNJCBSA-N 1 0 245.366 3.369 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@H](C)C(C)C ZINC000318998297 641601980 /nfs/dbraw/zinc/60/19/80/641601980.db2.gz MGSWPTNVCXJOPE-CYBMUJFWSA-N 1 0 234.387 3.406 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H](C)C(C)C ZINC000318998298 635486532 /nfs/dbraw/zinc/48/65/32/635486532.db2.gz MGSWPTNVCXJOPE-ZDUSSCGKSA-N 1 0 234.387 3.406 20 10 BGCDRO CCC[C@H]([NH2+]Cc1ccccc1O)C1CCC1 ZINC000322249707 636825934 /nfs/dbraw/zinc/82/59/34/636825934.db2.gz CKUYHSFGSPTKTF-AWEZNQCLSA-N 1 0 233.355 3.451 20 10 BGCDRO CCC[C@@H]([NH2+]Cc1ccccc1O)C1CCC1 ZINC000322249708 636826450 /nfs/dbraw/zinc/82/64/50/636826450.db2.gz CKUYHSFGSPTKTF-CQSZACIVSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccccc1O)C1CCC1 ZINC000322481710 636866473 /nfs/dbraw/zinc/86/64/73/636866473.db2.gz UHDPGNBCTLHPIL-CYBMUJFWSA-N 1 0 219.328 3.061 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccccc1O)C1CCC1 ZINC000322481711 636867485 /nfs/dbraw/zinc/86/74/85/636867485.db2.gz UHDPGNBCTLHPIL-ZDUSSCGKSA-N 1 0 219.328 3.061 20 10 BGCDRO CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)C1CC1 ZINC000323932586 641305763 /nfs/dbraw/zinc/30/57/63/641305763.db2.gz YGPFQYTZTUWGRJ-NOZJJQNGSA-N 1 0 237.318 3.371 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C1CC1 ZINC000323932587 641306838 /nfs/dbraw/zinc/30/68/38/641306838.db2.gz YGPFQYTZTUWGRJ-RNCFNFMXSA-N 1 0 237.318 3.371 20 10 BGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C1CC1 ZINC000323932588 641309303 /nfs/dbraw/zinc/30/93/03/641309303.db2.gz YGPFQYTZTUWGRJ-TVQRCGJNSA-N 1 0 237.318 3.371 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C1CC1 ZINC000323932589 641307887 /nfs/dbraw/zinc/30/78/87/641307887.db2.gz YGPFQYTZTUWGRJ-ZANVPECISA-N 1 0 237.318 3.371 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000323970248 641336606 /nfs/dbraw/zinc/33/66/06/641336606.db2.gz HOURSNYTUBQRSE-GWCFXTLKSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C1CC1 ZINC000323970249 641337715 /nfs/dbraw/zinc/33/77/15/641337715.db2.gz HOURSNYTUBQRSE-GXFFZTMASA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000323970251 641336727 /nfs/dbraw/zinc/33/67/27/641336727.db2.gz HOURSNYTUBQRSE-MFKMUULPSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C1CC1 ZINC000323970253 641337238 /nfs/dbraw/zinc/33/72/38/641337238.db2.gz HOURSNYTUBQRSE-ZWNOBZJWSA-N 1 0 219.328 3.231 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H](C(C)C)C2CC2)c1O ZINC000324094416 711850422 /nfs/dbraw/zinc/85/04/22/711850422.db2.gz IKZJUFZUCRRVCM-AWEZNQCLSA-N 1 0 233.355 3.225 20 10 BGCDRO CC(C)[C@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000324148693 641569440 /nfs/dbraw/zinc/56/94/40/641569440.db2.gz XUYYNFUUSNDQTC-AWEZNQCLSA-N 1 0 237.318 3.056 20 10 BGCDRO CC(C)[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000324148694 641569351 /nfs/dbraw/zinc/56/93/51/641569351.db2.gz XUYYNFUUSNDQTC-CQSZACIVSA-N 1 0 237.318 3.056 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C(C)C)C2CC2)c1 ZINC000324195707 641619829 /nfs/dbraw/zinc/61/98/29/641619829.db2.gz ZXUJLMALVUCEAR-HNNXBMFYSA-N 1 0 233.355 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C(C)C)C2CC2)c1 ZINC000324195709 641619783 /nfs/dbraw/zinc/61/97/83/641619783.db2.gz ZXUJLMALVUCEAR-OAHLLOKOSA-N 1 0 233.355 3.225 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000324290056 641696375 /nfs/dbraw/zinc/69/63/75/641696375.db2.gz JAOWESJYBPVYHH-HZMBPMFUSA-N 1 0 249.354 3.240 20 10 BGCDRO CC[C@@H]([NH2+][C@@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000324290057 641697242 /nfs/dbraw/zinc/69/72/42/641697242.db2.gz JAOWESJYBPVYHH-IINYFYTJSA-N 1 0 249.354 3.240 20 10 BGCDRO CC[C@@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000324290058 641695948 /nfs/dbraw/zinc/69/59/48/641695948.db2.gz JAOWESJYBPVYHH-QMTHXVAHSA-N 1 0 249.354 3.240 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)c1cc(OC)ccc1O)C1CC1 ZINC000324290059 641696704 /nfs/dbraw/zinc/69/67/04/641696704.db2.gz JAOWESJYBPVYHH-YGRLFVJLSA-N 1 0 249.354 3.240 20 10 BGCDRO CCOc1cccc(C[NH2+][C@H](CC)C2CC2)c1O ZINC000324317866 641696825 /nfs/dbraw/zinc/69/68/25/641696825.db2.gz NTTNMDWAWNKYJR-CYBMUJFWSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@@H](CC)C2CC2)c1O ZINC000324317867 641695894 /nfs/dbraw/zinc/69/58/94/641695894.db2.gz NTTNMDWAWNKYJR-ZDUSSCGKSA-N 1 0 249.354 3.069 20 10 BGCDRO CC[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000324467228 641876334 /nfs/dbraw/zinc/87/63/34/641876334.db2.gz MRGAJTXEEFTTKZ-CHWSQXEVSA-N 1 0 231.339 3.158 20 10 BGCDRO CC[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000324467229 641875892 /nfs/dbraw/zinc/87/58/92/641875892.db2.gz MRGAJTXEEFTTKZ-OLZOCXBDSA-N 1 0 231.339 3.158 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000324467230 641875932 /nfs/dbraw/zinc/87/59/32/641875932.db2.gz MRGAJTXEEFTTKZ-QWHCGFSZSA-N 1 0 231.339 3.158 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000324467231 641876266 /nfs/dbraw/zinc/87/62/66/641876266.db2.gz MRGAJTXEEFTTKZ-STQMWFEESA-N 1 0 231.339 3.158 20 10 BGCDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000324486873 641877368 /nfs/dbraw/zinc/87/73/68/641877368.db2.gz PMGYSZVJPWBKBZ-GFCCVEGCSA-N 1 0 239.746 3.324 20 10 BGCDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000324486874 641877540 /nfs/dbraw/zinc/87/75/40/641877540.db2.gz PMGYSZVJPWBKBZ-LBPRGKRZSA-N 1 0 239.746 3.324 20 10 BGCDRO CC(C)[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000324543769 641878990 /nfs/dbraw/zinc/87/89/90/641878990.db2.gz OMRSNSDYVVDVBO-BBRMVZONSA-N 1 0 245.366 3.404 20 10 BGCDRO CC(C)[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000324543770 641879167 /nfs/dbraw/zinc/87/91/67/641879167.db2.gz OMRSNSDYVVDVBO-CJNGLKHVSA-N 1 0 245.366 3.404 20 10 BGCDRO CC(C)[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CC1 ZINC000324543771 641878323 /nfs/dbraw/zinc/87/83/23/641878323.db2.gz OMRSNSDYVVDVBO-CZUORRHYSA-N 1 0 245.366 3.404 20 10 BGCDRO CC(C)[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CC1 ZINC000324543772 641877919 /nfs/dbraw/zinc/87/79/19/641877919.db2.gz OMRSNSDYVVDVBO-XJKSGUPXSA-N 1 0 245.366 3.404 20 10 BGCDRO CC(C)[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000324577359 641881630 /nfs/dbraw/zinc/88/16/30/641881630.db2.gz WOULPJUPBOORKX-INIZCTEOSA-N 1 0 245.366 3.146 20 10 BGCDRO CC(C)[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000324577360 641881028 /nfs/dbraw/zinc/88/10/28/641881028.db2.gz WOULPJUPBOORKX-MRXNPFEDSA-N 1 0 245.366 3.146 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324645623 641885285 /nfs/dbraw/zinc/88/52/85/641885285.db2.gz DRTCJHDIDGTULE-HNNXBMFYSA-N 1 0 249.329 3.200 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324645624 641885218 /nfs/dbraw/zinc/88/52/18/641885218.db2.gz DRTCJHDIDGTULE-OAHLLOKOSA-N 1 0 249.329 3.200 20 10 BGCDRO Oc1ccccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324687275 641979160 /nfs/dbraw/zinc/97/91/60/641979160.db2.gz SYSSPKPXIOFNQT-HNNXBMFYSA-N 1 0 231.339 3.061 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324687276 641979477 /nfs/dbraw/zinc/97/94/77/641979477.db2.gz SYSSPKPXIOFNQT-OAHLLOKOSA-N 1 0 231.339 3.061 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCC1 ZINC000324810442 711885412 /nfs/dbraw/zinc/88/54/12/711885412.db2.gz PHFSBEKNDPHZOW-HNNXBMFYSA-N 1 0 245.366 3.290 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCC1 ZINC000324810443 711885434 /nfs/dbraw/zinc/88/54/34/711885434.db2.gz PHFSBEKNDPHZOW-OAHLLOKOSA-N 1 0 245.366 3.290 20 10 BGCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)C1CCC1 ZINC000324858815 642873661 /nfs/dbraw/zinc/87/36/61/642873661.db2.gz ZVJLWQCMZKQEDS-AWEZNQCLSA-N 1 0 233.355 3.369 20 10 BGCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)C1CCC1 ZINC000324858817 642873433 /nfs/dbraw/zinc/87/34/33/642873433.db2.gz ZVJLWQCMZKQEDS-CQSZACIVSA-N 1 0 233.355 3.369 20 10 BGCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)C1CCC1 ZINC000324884032 642947125 /nfs/dbraw/zinc/94/71/25/642947125.db2.gz FBUZSLMJFFUGNO-CYBMUJFWSA-N 1 0 249.354 3.069 20 10 BGCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)C1CCC1 ZINC000324884034 642945876 /nfs/dbraw/zinc/94/58/76/642945876.db2.gz FBUZSLMJFFUGNO-ZDUSSCGKSA-N 1 0 249.354 3.069 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc(OC)cc1O)C1CCC1 ZINC000324893788 642948384 /nfs/dbraw/zinc/94/83/84/642948384.db2.gz GTJYSABGHAIITD-AWEZNQCLSA-N 1 0 249.354 3.069 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccc(OC)cc1O)C1CCC1 ZINC000324893789 642950209 /nfs/dbraw/zinc/95/02/09/642950209.db2.gz GTJYSABGHAIITD-CQSZACIVSA-N 1 0 249.354 3.069 20 10 BGCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)C1CCC1 ZINC000324898825 642949730 /nfs/dbraw/zinc/94/97/30/642949730.db2.gz HOXPMMAHYBRSNU-AWEZNQCLSA-N 1 0 249.354 3.069 20 10 BGCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)C1CCC1 ZINC000324898827 642949317 /nfs/dbraw/zinc/94/93/17/642949317.db2.gz HOXPMMAHYBRSNU-CQSZACIVSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000324920388 642952322 /nfs/dbraw/zinc/95/23/22/642952322.db2.gz LIYDYHPOEIDFRK-INIZCTEOSA-N 1 0 245.366 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000324920389 642953862 /nfs/dbraw/zinc/95/38/62/642953862.db2.gz LIYDYHPOEIDFRK-MRXNPFEDSA-N 1 0 245.366 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H](C2CC2)C2CCC2)c1O ZINC000324982447 640842279 /nfs/dbraw/zinc/84/22/79/640842279.db2.gz SYBHLBSACFHVFD-OAHLLOKOSA-N 1 0 245.366 3.369 20 10 BGCDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccccc1O ZINC000365445327 177067410 /nfs/dbraw/zinc/06/74/10/177067410.db2.gz VOMFPIURGXNFJE-LBPRGKRZSA-N 1 0 231.339 3.157 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC12CCCCC2 ZINC000365813196 183301527 /nfs/dbraw/zinc/30/15/27/183301527.db2.gz GMTQNWWCGJIWNM-UHFFFAOYSA-N 1 0 231.339 3.301 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC23CCC3)c1 ZINC000365838348 385822280 /nfs/dbraw/zinc/82/22/80/385822280.db2.gz QHFPOILYJPNMJZ-UHFFFAOYSA-N 1 0 231.339 3.219 20 10 BGCDRO Cc1cccc(C[NH2+]C23CCC(CC2)C3)c1O ZINC000366686309 179088035 /nfs/dbraw/zinc/08/80/35/179088035.db2.gz YZYPTJGXLWXQTJ-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3CCCC[C@H]32)c1 ZINC000367954646 386921727 /nfs/dbraw/zinc/92/17/27/386921727.db2.gz COJUGSPUTDJNGL-TZMCWYRMSA-N 1 0 231.339 3.075 20 10 BGCDRO Oc1ccccc1C[NH+]1CCC2(CCC2)CC1 ZINC000368046189 183301224 /nfs/dbraw/zinc/30/12/24/183301224.db2.gz ZGPKDVJGKPUPTA-UHFFFAOYSA-N 1 0 231.339 3.158 20 10 BGCDRO Oc1ccccc1C[NH+]1CCC(C2CC2)CC1 ZINC000368636634 183302475 /nfs/dbraw/zinc/30/24/75/183302475.db2.gz IKZGSSOFZOSQHY-UHFFFAOYSA-N 1 0 231.339 3.014 20 10 BGCDRO CC1(C)C[N@H+](Cc2ccccc2O)[C@H]1C1CC1 ZINC000368666145 356976468 /nfs/dbraw/zinc/97/64/68/356976468.db2.gz KDNBPDAPOCLWKL-AWEZNQCLSA-N 1 0 231.339 3.013 20 10 BGCDRO CC1(C)C[N@H+](Cc2ccccc2O)[C@@H]1C1CC1 ZINC000368666146 356976551 /nfs/dbraw/zinc/97/65/51/356976551.db2.gz KDNBPDAPOCLWKL-CQSZACIVSA-N 1 0 231.339 3.013 20 10 BGCDRO Cc1cccc(C[N@@H+]2C[C@H]3CCCC[C@H]32)c1O ZINC000368667002 179083981 /nfs/dbraw/zinc/08/39/81/179083981.db2.gz OXGLTGMJUJRZTD-TZMCWYRMSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCCC23CCC3)c1O ZINC000370655779 179074268 /nfs/dbraw/zinc/07/42/68/179074268.db2.gz IHGAVHFDLKNOQP-UHFFFAOYSA-N 1 0 231.339 3.219 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000371420404 387208666 /nfs/dbraw/zinc/20/86/66/387208666.db2.gz WSROQCPVUSJDCU-AWEZNQCLSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C2CC2)c1 ZINC000371420405 387208215 /nfs/dbraw/zinc/20/82/15/387208215.db2.gz WSROQCPVUSJDCU-CQSZACIVSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2C2CC2)c1O ZINC000371426382 179075623 /nfs/dbraw/zinc/07/56/23/179075623.db2.gz PRTJFMZIKCECSJ-AWEZNQCLSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2C2CC2)c1O ZINC000371426383 179075768 /nfs/dbraw/zinc/07/57/68/179075768.db2.gz PRTJFMZIKCECSJ-CQSZACIVSA-N 1 0 231.339 3.075 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C23CCC(CC2)C3)cc1 ZINC000371752079 387247440 /nfs/dbraw/zinc/24/74/40/387247440.db2.gz DTJZSDXLBRFVIZ-UHFFFAOYSA-N 1 0 244.382 3.175 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C23CCC(CC2)C3)c1 ZINC000371752192 387246871 /nfs/dbraw/zinc/24/68/71/387246871.db2.gz FRMUXOIRWREMDO-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000373496856 183300993 /nfs/dbraw/zinc/30/09/93/183300993.db2.gz QVPMFDGWLXBCDD-UHFFFAOYSA-N 1 0 231.339 3.158 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCC12CCC2 ZINC000377202390 183275308 /nfs/dbraw/zinc/27/53/08/183275308.db2.gz VCIJJUKKHGZIKL-UHFFFAOYSA-N 1 0 235.302 3.050 20 10 BGCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2CCCCC[C@H]21 ZINC000378500153 183302467 /nfs/dbraw/zinc/30/24/67/183302467.db2.gz WFUHGPOMAPMNQT-GXTWGEPZSA-N 1 0 231.339 3.157 20 10 BGCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2CCCCC[C@@H]21 ZINC000378500154 183301518 /nfs/dbraw/zinc/30/15/18/183301518.db2.gz WFUHGPOMAPMNQT-JSGCOSHPSA-N 1 0 231.339 3.157 20 10 BGCDRO Oc1ccccc1C[N@@H+]1C[C@H]2CCCCC[C@@H]21 ZINC000378500156 183301271 /nfs/dbraw/zinc/30/12/71/183301271.db2.gz WFUHGPOMAPMNQT-OCCSQVGLSA-N 1 0 231.339 3.157 20 10 BGCDRO Oc1ccccc1C[N@@H+]1C[C@H]2CCCCC[C@H]21 ZINC000378500158 183301666 /nfs/dbraw/zinc/30/16/66/183301666.db2.gz WFUHGPOMAPMNQT-TZMCWYRMSA-N 1 0 231.339 3.157 20 10 BGCDRO c1cc(C[NH2+]C23CCC(CC2)C3)cc2c1OCC2 ZINC000378645943 183367773 /nfs/dbraw/zinc/36/77/73/183367773.db2.gz FXPOKVMMSWMXLN-UHFFFAOYSA-N 1 0 243.350 3.044 20 10 BGCDRO CSCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000378668101 712356769 /nfs/dbraw/zinc/35/67/69/712356769.db2.gz HUKQQTRYEBWPEV-LLVKDONJSA-N 1 0 239.384 3.023 20 10 BGCDRO CSCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000378668102 712357004 /nfs/dbraw/zinc/35/70/04/712357004.db2.gz HUKQQTRYEBWPEV-NSHDSACASA-N 1 0 239.384 3.023 20 10 BGCDRO CC(C)C1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000378855273 712366687 /nfs/dbraw/zinc/36/66/87/712366687.db2.gz JPPKDVNMTLFLRJ-UHFFFAOYSA-N 1 0 239.746 3.324 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378905358 711509386 /nfs/dbraw/zinc/50/93/86/711509386.db2.gz YUCZRHWMICRLMK-KBMXLJTQSA-N 1 0 244.382 3.031 20 10 BGCDRO Cc1csc(C[NH2+]Cc2cc(C)ccc2O)c1 ZINC000379249996 712371722 /nfs/dbraw/zinc/37/17/22/712371722.db2.gz BOJZAJAHJCOFMP-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO c1cc(C[NH2+]CC2=CCCCC2)cc2c1OCC2 ZINC000379577358 712388627 /nfs/dbraw/zinc/38/86/27/712388627.db2.gz BYDZVRWMBBTHBE-UHFFFAOYSA-N 1 0 243.350 3.212 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1=CCCCC1)CC2 ZINC000379580063 712389064 /nfs/dbraw/zinc/38/90/64/712389064.db2.gz IQGWUDQLLSSTDN-AWEZNQCLSA-N 1 0 243.350 3.470 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]CC1=CCCCC1)CC2 ZINC000379580065 712389370 /nfs/dbraw/zinc/38/93/70/712389370.db2.gz IQGWUDQLLSSTDN-CQSZACIVSA-N 1 0 243.350 3.470 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]CC1=CCCCC1 ZINC000379589899 712389724 /nfs/dbraw/zinc/38/97/24/712389724.db2.gz SHOZYIQAKALHSK-UHFFFAOYSA-N 1 0 235.302 3.121 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CC2=CCCCC2)c1 ZINC000379590972 712389814 /nfs/dbraw/zinc/38/98/14/712389814.db2.gz VYFABKJJJHVTHI-UHFFFAOYSA-N 1 0 231.339 3.291 20 10 BGCDRO Cc1cccc(C[NH2+]CC2=CCCCC2)c1O ZINC000379591305 712389625 /nfs/dbraw/zinc/38/96/25/712389625.db2.gz WVORJBJTKITQNC-UHFFFAOYSA-N 1 0 231.339 3.291 20 10 BGCDRO CCC1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000379723069 712392948 /nfs/dbraw/zinc/39/29/48/712392948.db2.gz LWAUFWKFTRYLPS-UHFFFAOYSA-N 1 0 225.719 3.078 20 10 BGCDRO COc1ccc(C[NH2+]C2(C(C)C)CC2)cc1C ZINC000379735067 712392961 /nfs/dbraw/zinc/39/29/61/712392961.db2.gz HTVNCDLMWXBXNN-UHFFFAOYSA-N 1 0 233.355 3.282 20 10 BGCDRO CCC[N@@H+](Cc1cc(F)ccc1O)CC(C)C ZINC000379787577 712399248 /nfs/dbraw/zinc/39/92/48/712399248.db2.gz ZUYXVETYUTVEKH-UHFFFAOYSA-N 1 0 239.334 3.399 20 10 BGCDRO CC(C)C[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000379844193 712616441 /nfs/dbraw/zinc/61/64/41/712616441.db2.gz HSBWFQJKASALDH-DGCLKSJQSA-N 1 0 233.355 3.404 20 10 BGCDRO CC(C)C[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000379844194 712616474 /nfs/dbraw/zinc/61/64/74/712616474.db2.gz HSBWFQJKASALDH-WCQYABFASA-N 1 0 233.355 3.404 20 10 BGCDRO CC(C)C[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000379844195 712616452 /nfs/dbraw/zinc/61/64/52/712616452.db2.gz HSBWFQJKASALDH-YPMHNXCESA-N 1 0 233.355 3.404 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000379870923 712619491 /nfs/dbraw/zinc/61/94/91/712619491.db2.gz XSVITSUVSOOZNJ-AAEUAGOBSA-N 1 0 233.355 3.261 20 10 BGCDRO CC(C)[C@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000379870926 712619519 /nfs/dbraw/zinc/61/95/19/712619519.db2.gz XSVITSUVSOOZNJ-DGCLKSJQSA-N 1 0 233.355 3.261 20 10 BGCDRO CC(C)[C@@H](C)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000379870928 712619546 /nfs/dbraw/zinc/61/95/46/712619546.db2.gz XSVITSUVSOOZNJ-WCQYABFASA-N 1 0 233.355 3.261 20 10 BGCDRO CC(C)[C@H](C)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000379870929 712619488 /nfs/dbraw/zinc/61/94/88/712619488.db2.gz XSVITSUVSOOZNJ-YPMHNXCESA-N 1 0 233.355 3.261 20 10 BGCDRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000379901307 712622063 /nfs/dbraw/zinc/62/20/63/712622063.db2.gz IVOIYCGKAJTANB-AAEUAGOBSA-N 1 0 231.339 3.158 20 10 BGCDRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000379901308 712622072 /nfs/dbraw/zinc/62/20/72/712622072.db2.gz IVOIYCGKAJTANB-DGCLKSJQSA-N 1 0 231.339 3.158 20 10 BGCDRO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000379901310 712622084 /nfs/dbraw/zinc/62/20/84/712622084.db2.gz IVOIYCGKAJTANB-WCQYABFASA-N 1 0 231.339 3.158 20 10 BGCDRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000379901311 712622086 /nfs/dbraw/zinc/62/20/86/712622086.db2.gz IVOIYCGKAJTANB-YPMHNXCESA-N 1 0 231.339 3.158 20 10 BGCDRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000379903620 712622641 /nfs/dbraw/zinc/62/26/41/712622641.db2.gz JLVPSTDNKVMVGA-NEPJUHHUSA-N 1 0 231.339 3.015 20 10 BGCDRO CC1(C)C[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000379903622 712622636 /nfs/dbraw/zinc/62/26/36/712622636.db2.gz JLVPSTDNKVMVGA-NWDGAFQWSA-N 1 0 231.339 3.015 20 10 BGCDRO CC1(C)C[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000379903624 712622632 /nfs/dbraw/zinc/62/26/32/712622632.db2.gz JLVPSTDNKVMVGA-RYUDHWBXSA-N 1 0 231.339 3.015 20 10 BGCDRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000379903629 712622653 /nfs/dbraw/zinc/62/26/53/712622653.db2.gz JLVPSTDNKVMVGA-VXGBXAGGSA-N 1 0 231.339 3.015 20 10 BGCDRO CC1(C[NH2+]CCCSc2nccs2)CC1 ZINC000379943611 712634635 /nfs/dbraw/zinc/63/46/35/712634635.db2.gz CQZUVDPCWQLBTC-UHFFFAOYSA-N 1 0 242.413 3.015 20 10 BGCDRO CC[C@@H]([NH2+]C1CC1)c1cc(Cl)ccc1O ZINC000379959436 712636650 /nfs/dbraw/zinc/63/66/50/712636650.db2.gz WLSICDBNIFVUSJ-LLVKDONJSA-N 1 0 225.719 3.249 20 10 BGCDRO CC[C@H]([NH2+]C1CC1)c1cc(Cl)ccc1O ZINC000379959448 712636659 /nfs/dbraw/zinc/63/66/59/712636659.db2.gz WLSICDBNIFVUSJ-NSHDSACASA-N 1 0 225.719 3.249 20 10 BGCDRO CC(C)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000380047297 712684205 /nfs/dbraw/zinc/68/42/05/712684205.db2.gz UIJVFZGJXTZVFG-CYBMUJFWSA-N 1 0 233.355 3.405 20 10 BGCDRO CC(C)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000380047298 712684309 /nfs/dbraw/zinc/68/43/09/712684309.db2.gz UIJVFZGJXTZVFG-ZDUSSCGKSA-N 1 0 233.355 3.405 20 10 BGCDRO C[C@@H]1CC[C@H]1[NH2+]CCCSc1nccs1 ZINC000380076450 712685185 /nfs/dbraw/zinc/68/51/85/712685185.db2.gz FMHCQTZFULJLET-NXEZZACHSA-N 1 0 242.413 3.013 20 10 BGCDRO C[C@H]1CC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000380076453 712685186 /nfs/dbraw/zinc/68/51/86/712685186.db2.gz FMHCQTZFULJLET-UWVGGRQHSA-N 1 0 242.413 3.013 20 10 BGCDRO C[C@H]1CC[C@H]1[NH2+]CCCSc1nccs1 ZINC000380076455 712685187 /nfs/dbraw/zinc/68/51/87/712685187.db2.gz FMHCQTZFULJLET-VHSXEESVSA-N 1 0 242.413 3.013 20 10 BGCDRO C[C@@H]1CC[C@@H]1[NH2+]CCCSc1nccs1 ZINC000380076456 712685188 /nfs/dbraw/zinc/68/51/88/712685188.db2.gz FMHCQTZFULJLET-ZJUUUORDSA-N 1 0 242.413 3.013 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]CCC1CCC1)CC2 ZINC000380131756 712691332 /nfs/dbraw/zinc/69/13/32/712691332.db2.gz OPTXNKNXURRWPH-CYBMUJFWSA-N 1 0 231.339 3.159 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]CCC1CCC1)CC2 ZINC000380131762 712691312 /nfs/dbraw/zinc/69/13/12/712691312.db2.gz OPTXNKNXURRWPH-ZDUSSCGKSA-N 1 0 231.339 3.159 20 10 BGCDRO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1O ZINC000380230721 712834475 /nfs/dbraw/zinc/83/44/75/712834475.db2.gz QSHZEWFBBWISBY-GXTWGEPZSA-N 1 0 247.338 3.126 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1ccccc1O ZINC000380230723 712834457 /nfs/dbraw/zinc/83/44/57/712834457.db2.gz QSHZEWFBBWISBY-JSGCOSHPSA-N 1 0 247.338 3.126 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1O ZINC000380230724 712834465 /nfs/dbraw/zinc/83/44/65/712834465.db2.gz QSHZEWFBBWISBY-OCCSQVGLSA-N 1 0 247.338 3.126 20 10 BGCDRO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1ccccc1O ZINC000380230725 712834480 /nfs/dbraw/zinc/83/44/80/712834480.db2.gz QSHZEWFBBWISBY-TZMCWYRMSA-N 1 0 247.338 3.126 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)c(O)c1 ZINC000380239287 712843030 /nfs/dbraw/zinc/84/30/30/712843030.db2.gz UVGVVZYLWUSDAO-CHWSQXEVSA-N 1 0 247.338 3.044 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)c(O)c1 ZINC000380239297 712843004 /nfs/dbraw/zinc/84/30/04/712843004.db2.gz UVGVVZYLWUSDAO-OLZOCXBDSA-N 1 0 247.338 3.044 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)c(O)c1 ZINC000380239299 712843017 /nfs/dbraw/zinc/84/30/17/712843017.db2.gz UVGVVZYLWUSDAO-QWHCGFSZSA-N 1 0 247.338 3.044 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c(O)c1 ZINC000380239301 712843026 /nfs/dbraw/zinc/84/30/26/712843026.db2.gz UVGVVZYLWUSDAO-STQMWFEESA-N 1 0 247.338 3.044 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2CCC=CO2)c1 ZINC000380242935 712843212 /nfs/dbraw/zinc/84/32/12/712843212.db2.gz WJMYWOPSSZORPT-CHWSQXEVSA-N 1 0 247.338 3.044 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000380242947 712843206 /nfs/dbraw/zinc/84/32/06/712843206.db2.gz WJMYWOPSSZORPT-OLZOCXBDSA-N 1 0 247.338 3.044 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2CCC=CO2)c1 ZINC000380242959 712843125 /nfs/dbraw/zinc/84/31/25/712843125.db2.gz WJMYWOPSSZORPT-QWHCGFSZSA-N 1 0 247.338 3.044 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000380242963 712843123 /nfs/dbraw/zinc/84/31/23/712843123.db2.gz WJMYWOPSSZORPT-STQMWFEESA-N 1 0 247.338 3.044 20 10 BGCDRO CC[C@H]([NH2+]CCF)c1cc(Cl)ccc1O ZINC000380332961 712887194 /nfs/dbraw/zinc/88/71/94/712887194.db2.gz OWMYIKFLWRSPKQ-JTQLQIEISA-N 1 0 231.698 3.056 20 10 BGCDRO CC[C@@H]([NH2+]CCF)c1cc(Cl)ccc1O ZINC000380332962 712887244 /nfs/dbraw/zinc/88/72/44/712887244.db2.gz OWMYIKFLWRSPKQ-SNVBAGLBSA-N 1 0 231.698 3.056 20 10 BGCDRO CC[N@H+](Cc1ccccc1O)CC(C)(C)C ZINC000380671483 712394519 /nfs/dbraw/zinc/39/45/19/712394519.db2.gz BJWVWJBBMYJICS-UHFFFAOYSA-N 1 0 221.344 3.260 20 10 BGCDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000380684707 712902496 /nfs/dbraw/zinc/90/24/96/712902496.db2.gz RPBVWISWOTWGQC-BBRMVZONSA-N 1 0 244.382 3.175 20 10 BGCDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000380684708 712902534 /nfs/dbraw/zinc/90/25/34/712902534.db2.gz RPBVWISWOTWGQC-CJNGLKHVSA-N 1 0 244.382 3.175 20 10 BGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000380684709 712902555 /nfs/dbraw/zinc/90/25/55/712902555.db2.gz RPBVWISWOTWGQC-CZUORRHYSA-N 1 0 244.382 3.175 20 10 BGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000380684713 712902621 /nfs/dbraw/zinc/90/26/21/712902621.db2.gz RPBVWISWOTWGQC-XJKSGUPXSA-N 1 0 244.382 3.175 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@@H]1C ZINC000380733615 712902740 /nfs/dbraw/zinc/90/27/40/712902740.db2.gz KYFAKYBIQLCMBB-NXEZZACHSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@H]1C ZINC000380733616 712902826 /nfs/dbraw/zinc/90/28/26/712902826.db2.gz KYFAKYBIQLCMBB-UWVGGRQHSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(O)cccc1Cl ZINC000380733617 712902685 /nfs/dbraw/zinc/90/26/85/712902685.db2.gz KYFAKYBIQLCMBB-VHSXEESVSA-N 1 0 239.746 3.276 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)[C@H]1C ZINC000380733618 712902870 /nfs/dbraw/zinc/90/28/70/712902870.db2.gz KYFAKYBIQLCMBB-ZJUUUORDSA-N 1 0 239.746 3.276 20 10 BGCDRO CC(C)SCC[NH2+][C@H](C)c1ccccc1O ZINC000380801344 710591218 /nfs/dbraw/zinc/59/12/18/710591218.db2.gz HMXCJCHSRKTXRD-LLVKDONJSA-N 1 0 239.384 3.184 20 10 BGCDRO CC(C)SCC[NH2+][C@@H](C)c1ccccc1O ZINC000380801345 710591333 /nfs/dbraw/zinc/59/13/33/710591333.db2.gz HMXCJCHSRKTXRD-NSHDSACASA-N 1 0 239.384 3.184 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000380940802 710595913 /nfs/dbraw/zinc/59/59/13/710595913.db2.gz MAAFJCQIFHKOKW-PIMMBPRGSA-N 1 0 245.366 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000380940804 710595893 /nfs/dbraw/zinc/59/58/93/710595893.db2.gz MAAFJCQIFHKOKW-SSDMNJCBSA-N 1 0 245.366 3.369 20 10 BGCDRO CCCC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000380967452 710596309 /nfs/dbraw/zinc/59/63/09/710596309.db2.gz DHWAWBADRXDWJR-GFCCVEGCSA-N 1 0 221.344 3.403 20 10 BGCDRO CCCC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000380967454 710596032 /nfs/dbraw/zinc/59/60/32/710596032.db2.gz DHWAWBADRXDWJR-LBPRGKRZSA-N 1 0 221.344 3.403 20 10 BGCDRO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000381025926 710597578 /nfs/dbraw/zinc/59/75/78/710597578.db2.gz QQIUGOIFFNKCFY-BZPMIXESSA-N 1 0 245.366 3.405 20 10 BGCDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000381025928 710596580 /nfs/dbraw/zinc/59/65/80/710596580.db2.gz QQIUGOIFFNKCFY-DYEKYZERSA-N 1 0 245.366 3.405 20 10 BGCDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000381025929 710597333 /nfs/dbraw/zinc/59/73/33/710597333.db2.gz QQIUGOIFFNKCFY-MBNYWOFBSA-N 1 0 245.366 3.405 20 10 BGCDRO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000381025930 710597429 /nfs/dbraw/zinc/59/74/29/710597429.db2.gz QQIUGOIFFNKCFY-YRGRVCCFSA-N 1 0 245.366 3.405 20 10 BGCDRO CC(C)C(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000381131036 710603447 /nfs/dbraw/zinc/60/34/47/710603447.db2.gz KSEAXNLFUJUMAD-UHFFFAOYSA-N 1 0 225.307 3.056 20 10 BGCDRO CC1CC([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000381225436 710610642 /nfs/dbraw/zinc/61/06/42/710610642.db2.gz JTAAQZGWFJJCGI-UHFFFAOYSA-N 1 0 243.709 3.073 20 10 BGCDRO CC(C)=CCC[NH2+]Cc1cc(Cl)ccc1O ZINC000381255457 710612687 /nfs/dbraw/zinc/61/26/87/710612687.db2.gz QPWNLIHNJVTGKR-UHFFFAOYSA-N 1 0 239.746 3.492 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@H]2C)c1O ZINC000381362910 710628179 /nfs/dbraw/zinc/62/81/79/710628179.db2.gz FMIHXXRPLSATOU-PELKAZGASA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@H]2C)c1O ZINC000381362917 710628234 /nfs/dbraw/zinc/62/82/34/710628234.db2.gz FMIHXXRPLSATOU-PRHODGIISA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+][C@@H]2CC[C@@H]2C)c1O ZINC000381362924 710628284 /nfs/dbraw/zinc/62/82/84/710628284.db2.gz FMIHXXRPLSATOU-QPUJVOFHSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2CC[C@@H]2C)c1O ZINC000381362925 710628044 /nfs/dbraw/zinc/62/80/44/710628044.db2.gz FMIHXXRPLSATOU-UFBFGSQYSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(C[NH2+]Cc2cc(C)ccc2O)cs1 ZINC000381379632 710629356 /nfs/dbraw/zinc/62/93/56/710629356.db2.gz LEUDWHDOOYLOTR-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO CC[C@@H]([NH2+]CCCF)c1ccc(C)cc1O ZINC000381402692 710632890 /nfs/dbraw/zinc/63/28/90/710632890.db2.gz RNOKCCXCVFECJA-GFCCVEGCSA-N 1 0 225.307 3.101 20 10 BGCDRO CC[C@H]([NH2+]CCCF)c1ccc(C)cc1O ZINC000381402701 710632802 /nfs/dbraw/zinc/63/28/02/710632802.db2.gz RNOKCCXCVFECJA-LBPRGKRZSA-N 1 0 225.307 3.101 20 10 BGCDRO CC[C@@H]([NH2+]CCSC)c1ccc(C)cc1O ZINC000381404427 710633508 /nfs/dbraw/zinc/63/35/08/710633508.db2.gz SAMPHNBXXAAZSI-GFCCVEGCSA-N 1 0 239.384 3.104 20 10 BGCDRO CC[C@H]([NH2+]CCSC)c1ccc(C)cc1O ZINC000381404428 710633482 /nfs/dbraw/zinc/63/34/82/710633482.db2.gz SAMPHNBXXAAZSI-LBPRGKRZSA-N 1 0 239.384 3.104 20 10 BGCDRO C[C@@H]([NH2+]CCCCF)c1cc(Cl)ccc1O ZINC000381438657 710636656 /nfs/dbraw/zinc/63/66/56/710636656.db2.gz DKNVLDXQALRCRC-SECBINFHSA-N 1 0 245.725 3.446 20 10 BGCDRO C[C@H]([NH2+]CCCCF)c1cc(Cl)ccc1O ZINC000381438658 710636542 /nfs/dbraw/zinc/63/65/42/710636542.db2.gz DKNVLDXQALRCRC-VIFPVBQESA-N 1 0 245.725 3.446 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+]CCCCF)c1O ZINC000381549223 710654585 /nfs/dbraw/zinc/65/45/85/710654585.db2.gz LVOYEMMQQWQKFT-UHFFFAOYSA-N 1 0 245.725 3.193 20 10 BGCDRO C[N@H+](Cc1cc(Cl)ccc1O)C(C)(C)C ZINC000381901488 710758582 /nfs/dbraw/zinc/75/85/82/710758582.db2.gz CIEYJYRUCDVUDN-UHFFFAOYSA-N 1 0 227.735 3.276 20 10 BGCDRO C[C@@H](F)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000382003284 710764172 /nfs/dbraw/zinc/76/41/72/710764172.db2.gz AEYJDLMFHVAPDP-BDAKNGLRSA-N 1 0 245.725 3.444 20 10 BGCDRO C[C@@H]([NH2+]CC[C@H](C)F)c1cc(Cl)ccc1O ZINC000382003288 710763917 /nfs/dbraw/zinc/76/39/17/710763917.db2.gz AEYJDLMFHVAPDP-DTWKUNHWSA-N 1 0 245.725 3.444 20 10 BGCDRO C[C@H](F)CC[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000382003292 710764726 /nfs/dbraw/zinc/76/47/26/710764726.db2.gz AEYJDLMFHVAPDP-IUCAKERBSA-N 1 0 245.725 3.444 20 10 BGCDRO C[C@@H](F)CC[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000382003293 710764420 /nfs/dbraw/zinc/76/44/20/710764420.db2.gz AEYJDLMFHVAPDP-RKDXNWHRSA-N 1 0 245.725 3.444 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCF)c(O)c1 ZINC000382024044 710767358 /nfs/dbraw/zinc/76/73/58/710767358.db2.gz AFMYJKHVFANLDY-LLVKDONJSA-N 1 0 225.307 3.019 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCF)c(O)c1 ZINC000382024045 710767298 /nfs/dbraw/zinc/76/72/98/710767298.db2.gz AFMYJKHVFANLDY-NSHDSACASA-N 1 0 225.307 3.019 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)F)c1 ZINC000382095474 710775082 /nfs/dbraw/zinc/77/50/82/710775082.db2.gz DNWUVRNBPMMAMZ-GHMZBOCLSA-N 1 0 225.307 3.099 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)F)c1 ZINC000382095481 710775013 /nfs/dbraw/zinc/77/50/13/710775013.db2.gz DNWUVRNBPMMAMZ-MNOVXSKESA-N 1 0 225.307 3.099 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000382095484 710775629 /nfs/dbraw/zinc/77/56/29/710775629.db2.gz DNWUVRNBPMMAMZ-QWRGUYRKSA-N 1 0 225.307 3.099 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)F)c1 ZINC000382095498 710775364 /nfs/dbraw/zinc/77/53/64/710775364.db2.gz DNWUVRNBPMMAMZ-WDEREUQCSA-N 1 0 225.307 3.099 20 10 BGCDRO CC(F)(F)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000382205301 711554572 /nfs/dbraw/zinc/55/45/72/711554572.db2.gz UHVTYXMQVFSJIX-UHFFFAOYSA-N 1 0 249.688 3.181 20 10 BGCDRO Cc1csc(C[NH2+]Cc2ccccc2O)c1 ZINC000382290898 711621347 /nfs/dbraw/zinc/62/13/47/711621347.db2.gz QWGZDZXSYKMDGN-UHFFFAOYSA-N 1 0 233.336 3.052 20 10 BGCDRO CCOc1cccc(C[N@H+](C)C(C)(C)C)c1O ZINC000382308354 711659072 /nfs/dbraw/zinc/65/90/72/711659072.db2.gz TUMUZJKEEHZRDS-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO CCC[NH2+][C@H](CC)c1cc(Cl)ccc1O ZINC000382353150 711490495 /nfs/dbraw/zinc/49/04/95/711490495.db2.gz QYABTJINHORUSZ-LLVKDONJSA-N 1 0 227.735 3.496 20 10 BGCDRO CCC[NH2+][C@@H](CC)c1cc(Cl)ccc1O ZINC000382353151 711490836 /nfs/dbraw/zinc/49/08/36/711490836.db2.gz QYABTJINHORUSZ-NSHDSACASA-N 1 0 227.735 3.496 20 10 BGCDRO CCC1([NH2+]Cc2ccc3c(c2)CCO3)CCCC1 ZINC000382575480 710972829 /nfs/dbraw/zinc/97/28/29/710972829.db2.gz TWIYEKZRKMZTSE-UHFFFAOYSA-N 1 0 245.366 3.434 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c1 ZINC000382586966 711475318 /nfs/dbraw/zinc/47/53/18/711475318.db2.gz CLDNRLVFUIAULM-GMXVVIOVSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c1 ZINC000382586968 711475431 /nfs/dbraw/zinc/47/54/31/711475431.db2.gz CLDNRLVFUIAULM-GVXVVHGQSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC[C@H]2C)c1 ZINC000382586969 711475513 /nfs/dbraw/zinc/47/55/13/711475513.db2.gz CLDNRLVFUIAULM-MDZLAQPJSA-N 1 0 219.328 3.150 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c1 ZINC000382586971 711475452 /nfs/dbraw/zinc/47/54/52/711475452.db2.gz CLDNRLVFUIAULM-NTZNESFSSA-N 1 0 219.328 3.150 20 10 BGCDRO CCC1([NH2+]Cc2cc(F)ccc2O)CCCC1 ZINC000382607768 710973792 /nfs/dbraw/zinc/97/37/92/710973792.db2.gz VTAUBFVQSKDUJX-UHFFFAOYSA-N 1 0 237.318 3.344 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000383471266 710981269 /nfs/dbraw/zinc/98/12/69/710981269.db2.gz POFHYVRZXYZZHZ-HUBLWGQQSA-N 1 0 232.371 3.202 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000383471271 710981339 /nfs/dbraw/zinc/98/13/39/710981339.db2.gz POFHYVRZXYZZHZ-SLEUVZQESA-N 1 0 232.371 3.202 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000383471293 710982077 /nfs/dbraw/zinc/98/20/77/710982077.db2.gz POFHYVRZXYZZHZ-TYNCELHUSA-N 1 0 232.371 3.202 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1ccc(N(C)C)cc1 ZINC000383471305 710982143 /nfs/dbraw/zinc/98/21/43/710982143.db2.gz POFHYVRZXYZZHZ-XUJVJEKNSA-N 1 0 232.371 3.202 20 10 BGCDRO CC(C)(C)C(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000383663973 710984426 /nfs/dbraw/zinc/98/44/26/710984426.db2.gz KDMIFGKZTAWMRX-UHFFFAOYSA-N 1 0 239.334 3.446 20 10 BGCDRO CC(C)(C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000383687838 710832864 /nfs/dbraw/zinc/83/28/64/710832864.db2.gz SFGQQCIXZGBYKE-GFCCVEGCSA-N 1 0 233.355 3.405 20 10 BGCDRO CC(C)(C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000383687842 710832672 /nfs/dbraw/zinc/83/26/72/710832672.db2.gz SFGQQCIXZGBYKE-LBPRGKRZSA-N 1 0 233.355 3.405 20 10 BGCDRO CC[N@H+](Cc1cc(F)ccc1O)CC(C)(C)C ZINC000383808383 710944959 /nfs/dbraw/zinc/94/49/59/710944959.db2.gz UXDGZJKSKBCYSD-UHFFFAOYSA-N 1 0 239.334 3.399 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000384005807 710988182 /nfs/dbraw/zinc/98/81/82/710988182.db2.gz NNYRCDMGXMGTTD-PWSUYJOCSA-N 1 0 233.355 3.404 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(C)(C)C ZINC000384005811 712891734 /nfs/dbraw/zinc/89/17/34/712891734.db2.gz NNYRCDMGXMGTTD-ZYHUDNBSSA-N 1 0 233.355 3.404 20 10 BGCDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000384519972 710915848 /nfs/dbraw/zinc/91/58/48/710915848.db2.gz WTDJBIYLURDTAY-JTQLQIEISA-N 1 0 239.334 3.446 20 10 BGCDRO C[C@H](CC(C)(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000384520198 710916973 /nfs/dbraw/zinc/91/69/73/710916973.db2.gz WTDJBIYLURDTAY-SNVBAGLBSA-N 1 0 239.334 3.446 20 10 BGCDRO CC/C=C\C[NH2+]Cc1c(O)cccc1Cl ZINC000384843101 710998370 /nfs/dbraw/zinc/99/83/70/710998370.db2.gz JLSJTLNDXSWCAC-ARJAWSKDSA-N 1 0 225.719 3.101 20 10 BGCDRO CC/C=C/C[NH2+]Cc1c(O)cccc1Cl ZINC000384843102 710998333 /nfs/dbraw/zinc/99/83/33/710998333.db2.gz JLSJTLNDXSWCAC-ONEGZZNKSA-N 1 0 225.719 3.101 20 10 BGCDRO CC/C=C\C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000384898221 710999235 /nfs/dbraw/zinc/99/92/35/710999235.db2.gz MYSJPCGRTAKWFO-FMFIFOJESA-N 1 0 232.371 3.369 20 10 BGCDRO CC/C=C\C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000384898222 711000391 /nfs/dbraw/zinc/00/03/91/711000391.db2.gz MYSJPCGRTAKWFO-FWWRYZNZSA-N 1 0 232.371 3.369 20 10 BGCDRO CC/C=C/C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000384898223 711000333 /nfs/dbraw/zinc/00/03/33/711000333.db2.gz MYSJPCGRTAKWFO-KTRBRXNASA-N 1 0 232.371 3.369 20 10 BGCDRO CC/C=C/C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000384898224 711000394 /nfs/dbraw/zinc/00/03/94/711000394.db2.gz MYSJPCGRTAKWFO-YBJDMEARSA-N 1 0 232.371 3.369 20 10 BGCDRO C/C=C\C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000384934525 710999637 /nfs/dbraw/zinc/99/96/37/710999637.db2.gz DGRFFTWNSYFJTE-IHWYPQMZSA-N 1 0 244.382 3.343 20 10 BGCDRO C/C=C/C[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000384934528 711000345 /nfs/dbraw/zinc/00/03/45/711000345.db2.gz DGRFFTWNSYFJTE-NSCUHMNNSA-N 1 0 244.382 3.343 20 10 BGCDRO CC(C)(C[NH2+]Cc1ccccc1O)C1CCC1 ZINC000385007849 711003287 /nfs/dbraw/zinc/00/32/87/711003287.db2.gz XBFXPEXECQPILL-UHFFFAOYSA-N 1 0 233.355 3.308 20 10 BGCDRO Oc1ccccc1C[NH2+]C(C1CCC1)C1CCC1 ZINC000385043789 711003803 /nfs/dbraw/zinc/00/38/03/711003803.db2.gz LGRIYIUAEUAURB-UHFFFAOYSA-N 1 0 245.366 3.451 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000385542919 711015410 /nfs/dbraw/zinc/01/54/10/711015410.db2.gz DYLSJIVALFLJGO-AYGWYOGXSA-N 1 0 249.354 3.096 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000385542920 711014767 /nfs/dbraw/zinc/01/47/67/711014767.db2.gz DYLSJIVALFLJGO-BBGACYKPSA-N 1 0 249.354 3.096 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000385542923 711014782 /nfs/dbraw/zinc/01/47/82/711014782.db2.gz DYLSJIVALFLJGO-NJBDSQKTSA-N 1 0 249.354 3.096 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000385542926 711014826 /nfs/dbraw/zinc/01/48/26/711014826.db2.gz DYLSJIVALFLJGO-YAMSLAJTSA-N 1 0 249.354 3.096 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000385626389 711742884 /nfs/dbraw/zinc/74/28/84/711742884.db2.gz JUSWJFJRJDQURW-KBVBSXBZSA-N 1 0 239.746 3.180 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@@H]1C ZINC000385626876 711016655 /nfs/dbraw/zinc/01/66/55/711016655.db2.gz JUSWJFJRJDQURW-LNLATYFQSA-N 1 0 239.746 3.180 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]1C ZINC000385626878 711015966 /nfs/dbraw/zinc/01/59/66/711015966.db2.gz JUSWJFJRJDQURW-PTRXPTGYSA-N 1 0 239.746 3.180 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)[C@H]1C ZINC000385626880 711016521 /nfs/dbraw/zinc/01/65/21/711016521.db2.gz JUSWJFJRJDQURW-VDDIYKPWSA-N 1 0 239.746 3.180 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H]2CC(C)C)c1 ZINC000385806374 711018214 /nfs/dbraw/zinc/01/82/14/711018214.db2.gz HMDXBZBGQJNJMT-TZMCWYRMSA-N 1 0 233.355 3.225 20 10 BGCDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000385823488 711018074 /nfs/dbraw/zinc/01/80/74/711018074.db2.gz KFPLURGTEHKMAV-ZWNOBZJWSA-N 1 0 237.318 3.056 20 10 BGCDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000385833125 711017643 /nfs/dbraw/zinc/01/76/43/711017643.db2.gz MBAIWBYDGRDHEH-OUCADQQQSA-N 1 0 233.355 3.477 20 10 BGCDRO CC(C)C[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000385833130 711018200 /nfs/dbraw/zinc/01/82/00/711018200.db2.gz MBAIWBYDGRDHEH-YRGRVCCFSA-N 1 0 233.355 3.477 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2C[C@H]2CC(C)C)c1O ZINC000385856691 711018754 /nfs/dbraw/zinc/01/87/54/711018754.db2.gz RAIBENOZKXZWKM-ZIAGYGMSSA-N 1 0 233.355 3.225 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)o1 ZINC000386557712 711032620 /nfs/dbraw/zinc/03/26/20/711032620.db2.gz UYRRGLLJEQGWOD-CYBMUJFWSA-N 1 0 243.306 3.071 20 10 BGCDRO Cc1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)o1 ZINC000386557716 711584421 /nfs/dbraw/zinc/58/44/21/711584421.db2.gz UYRRGLLJEQGWOD-ZDUSSCGKSA-N 1 0 243.306 3.071 20 10 BGCDRO Cc1ccoc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000386586548 711032651 /nfs/dbraw/zinc/03/26/51/711032651.db2.gz BWJBYHSPIGHOQX-GFCCVEGCSA-N 1 0 243.306 3.071 20 10 BGCDRO Cc1ccoc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000386586550 711032998 /nfs/dbraw/zinc/03/29/98/711032998.db2.gz BWJBYHSPIGHOQX-LBPRGKRZSA-N 1 0 243.306 3.071 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000386720611 711036164 /nfs/dbraw/zinc/03/61/64/711036164.db2.gz XZQFPFPWWMIWSG-MGULZYLOSA-N 1 0 249.329 3.200 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000386720619 711036089 /nfs/dbraw/zinc/03/60/89/711036089.db2.gz XZQFPFPWWMIWSG-QIMFLAQGSA-N 1 0 249.329 3.200 20 10 BGCDRO c1cc(C[NH2+][C@H]2CC23CCCC3)cc2c1OCC2 ZINC000386907284 711038093 /nfs/dbraw/zinc/03/80/93/711038093.db2.gz MVGKBAKHUWNHSV-HNNXBMFYSA-N 1 0 243.350 3.044 20 10 BGCDRO c1cc(C[NH2+][C@@H]2CC23CCCC3)cc2c1OCC2 ZINC000386907286 711038157 /nfs/dbraw/zinc/03/81/57/711038157.db2.gz MVGKBAKHUWNHSV-OAHLLOKOSA-N 1 0 243.350 3.044 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC23CCCC3)cc1 ZINC000386931913 711039026 /nfs/dbraw/zinc/03/90/26/711039026.db2.gz RQTWIKLRPDQYBD-HNNXBMFYSA-N 1 0 244.382 3.175 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000386931916 711039461 /nfs/dbraw/zinc/03/94/61/711039461.db2.gz RQTWIKLRPDQYBD-OAHLLOKOSA-N 1 0 244.382 3.175 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1C ZINC000386931974 711828534 /nfs/dbraw/zinc/82/85/34/711828534.db2.gz RRXHFPURKILUKB-HNNXBMFYSA-N 1 0 245.366 3.426 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1C ZINC000386931975 711828718 /nfs/dbraw/zinc/82/87/18/711828718.db2.gz RRXHFPURKILUKB-OAHLLOKOSA-N 1 0 245.366 3.426 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccccc1O ZINC000386968263 711038985 /nfs/dbraw/zinc/03/89/85/711038985.db2.gz AXWCXVSJDJWHHV-BXUZGUMPSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccccc1O ZINC000386968265 711039596 /nfs/dbraw/zinc/03/95/96/711039596.db2.gz AXWCXVSJDJWHHV-FZMZJTMJSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccccc1O ZINC000386968268 711038960 /nfs/dbraw/zinc/03/89/60/711038960.db2.gz AXWCXVSJDJWHHV-RISCZKNCSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccccc1O ZINC000386968269 711038774 /nfs/dbraw/zinc/03/87/74/711038774.db2.gz AXWCXVSJDJWHHV-SMDDNHRTSA-N 1 0 231.339 3.376 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CC23CCCC3)c1O ZINC000387095298 711040262 /nfs/dbraw/zinc/04/02/62/711040262.db2.gz DTQNWUVPIBSHQP-CYBMUJFWSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CC23CCCC3)c1O ZINC000387095580 711040441 /nfs/dbraw/zinc/04/04/41/711040441.db2.gz DTQNWUVPIBSHQP-ZDUSSCGKSA-N 1 0 231.339 3.123 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000387540502 711043947 /nfs/dbraw/zinc/04/39/47/711043947.db2.gz FVYTYWSBXGGMJP-AWEZNQCLSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000387540509 711043986 /nfs/dbraw/zinc/04/39/86/711043986.db2.gz FVYTYWSBXGGMJP-CQSZACIVSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000387699093 711045787 /nfs/dbraw/zinc/04/57/87/711045787.db2.gz KEUZDPKZPMBNDN-AXFHLTTASA-N 1 0 237.318 3.228 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000387699098 711967742 /nfs/dbraw/zinc/96/77/42/711967742.db2.gz KEUZDPKZPMBNDN-MXWKQRLJSA-N 1 0 237.318 3.228 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000387787708 711046802 /nfs/dbraw/zinc/04/68/02/711046802.db2.gz FLYIJEYEBHNUGM-TUAOUCFPSA-N 1 0 249.354 3.098 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000387787709 711046614 /nfs/dbraw/zinc/04/66/14/711046614.db2.gz FLYIJEYEBHNUGM-UTUOFQBUSA-N 1 0 249.354 3.098 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000387889433 711048505 /nfs/dbraw/zinc/04/85/05/711048505.db2.gz YDJRZZGYGHCIKQ-TUAOUCFPSA-N 1 0 219.328 3.089 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000387889440 711048346 /nfs/dbraw/zinc/04/83/46/711048346.db2.gz YDJRZZGYGHCIKQ-UTUOFQBUSA-N 1 0 219.328 3.089 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000387920917 711047978 /nfs/dbraw/zinc/04/79/78/711047978.db2.gz QLWVDUZVJAGOBL-KGLIPLIRSA-N 1 0 233.355 3.139 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1CC)c1ccccc1O ZINC000387924320 711047573 /nfs/dbraw/zinc/04/75/73/711047573.db2.gz SGGARCFVTYDDEV-DYEKYZERSA-N 1 0 233.355 3.479 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000387969466 711050248 /nfs/dbraw/zinc/05/02/48/711050248.db2.gz FUGKPFACHXYIFW-ZJUUUORDSA-N 1 0 239.746 3.181 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000388006419 711833071 /nfs/dbraw/zinc/83/30/71/711833071.db2.gz MWZLAIJVJPDNJP-ZJUUUORDSA-N 1 0 239.746 3.181 20 10 BGCDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1CC)c1ccccc1O ZINC000388247468 711054725 /nfs/dbraw/zinc/05/47/25/711054725.db2.gz SGGARCFVTYDDEV-MBNYWOFBSA-N 1 0 233.355 3.479 20 10 BGCDRO CC1(C)CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000389059038 711072407 /nfs/dbraw/zinc/07/24/07/711072407.db2.gz KCOBEKAWWNQXFL-CYBMUJFWSA-N 1 0 233.355 3.308 20 10 BGCDRO CC1(C)CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000389059039 711072493 /nfs/dbraw/zinc/07/24/93/711072493.db2.gz KCOBEKAWWNQXFL-ZDUSSCGKSA-N 1 0 233.355 3.308 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCCC(C)(F)F)c1 ZINC000390114266 711106405 /nfs/dbraw/zinc/10/64/05/711106405.db2.gz ZBCHYIUBLQAYJR-UHFFFAOYSA-N 1 0 243.297 3.226 20 10 BGCDRO CC1(C)CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000390456172 711118756 /nfs/dbraw/zinc/11/87/56/711118756.db2.gz ACNFUYZDCDNVKA-GFCCVEGCSA-N 1 0 239.746 3.324 20 10 BGCDRO CC1(C)CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000390456175 711119219 /nfs/dbraw/zinc/11/92/19/711119219.db2.gz ACNFUYZDCDNVKA-LBPRGKRZSA-N 1 0 239.746 3.324 20 10 BGCDRO CC1(CC[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000390483241 711120362 /nfs/dbraw/zinc/12/03/62/711120362.db2.gz NQYABDNPQBABNL-UHFFFAOYSA-N 1 0 239.746 3.325 20 10 BGCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCF)c1O ZINC000390498431 711121368 /nfs/dbraw/zinc/12/13/68/711121368.db2.gz SWAGRPXPHACYBB-SECBINFHSA-N 1 0 245.725 3.364 20 10 BGCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCCF)c1O ZINC000390498433 711121671 /nfs/dbraw/zinc/12/16/71/711121671.db2.gz SWAGRPXPHACYBB-VIFPVBQESA-N 1 0 245.725 3.364 20 10 BGCDRO Cc1sccc1C[NH2+]Cc1ccccc1O ZINC000390508333 712419838 /nfs/dbraw/zinc/41/98/38/712419838.db2.gz XWUIBTCYKZVSOI-UHFFFAOYSA-N 1 0 233.336 3.052 20 10 BGCDRO C[C@@H]([NH2+]CCCCCF)c1ccccc1O ZINC000390542105 712420536 /nfs/dbraw/zinc/42/05/36/712420536.db2.gz LTVKTSPDPYOLOX-LLVKDONJSA-N 1 0 225.307 3.183 20 10 BGCDRO C[C@H]([NH2+]CCCCCF)c1ccccc1O ZINC000390542106 712420546 /nfs/dbraw/zinc/42/05/46/712420546.db2.gz LTVKTSPDPYOLOX-NSHDSACASA-N 1 0 225.307 3.183 20 10 BGCDRO CC1(C)CC[C@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000390676658 711131827 /nfs/dbraw/zinc/13/18/27/711131827.db2.gz VRHPROOKUOIFEJ-GFCCVEGCSA-N 1 0 239.746 3.324 20 10 BGCDRO CC1(C)CC[C@@H]1[NH2+]Cc1c(O)cccc1Cl ZINC000390676659 711132455 /nfs/dbraw/zinc/13/24/55/711132455.db2.gz VRHPROOKUOIFEJ-LBPRGKRZSA-N 1 0 239.746 3.324 20 10 BGCDRO CCCC[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000390770474 711133675 /nfs/dbraw/zinc/13/36/75/711133675.db2.gz VPJJZPMGGFFSAQ-GFCCVEGCSA-N 1 0 221.344 3.460 20 10 BGCDRO CCCC[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000390770475 711133279 /nfs/dbraw/zinc/13/32/79/711133279.db2.gz VPJJZPMGGFFSAQ-LBPRGKRZSA-N 1 0 221.344 3.460 20 10 BGCDRO CCC[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000390800323 711134340 /nfs/dbraw/zinc/13/43/40/711134340.db2.gz XUBAJOPPOUBXGF-CMPLNLGQSA-N 1 0 219.328 3.158 20 10 BGCDRO CCC[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000390800324 711135073 /nfs/dbraw/zinc/13/50/73/711135073.db2.gz XUBAJOPPOUBXGF-JQWIXIFHSA-N 1 0 219.328 3.158 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000390800325 711134887 /nfs/dbraw/zinc/13/48/87/711134887.db2.gz XUBAJOPPOUBXGF-PWSUYJOCSA-N 1 0 219.328 3.158 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000390800326 711134581 /nfs/dbraw/zinc/13/45/81/711134581.db2.gz XUBAJOPPOUBXGF-ZYHUDNBSSA-N 1 0 219.328 3.158 20 10 BGCDRO CC(C)(CC[NH2+]Cc1ccccc1O)C1CC1 ZINC000392813341 711151538 /nfs/dbraw/zinc/15/15/38/711151538.db2.gz JUTSKSCTPDUCGE-UHFFFAOYSA-N 1 0 233.355 3.308 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)c(O)c1 ZINC000393471382 711160282 /nfs/dbraw/zinc/16/02/82/711160282.db2.gz GHAIDTPDCUKLBN-GHMZBOCLSA-N 1 0 225.307 3.099 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)c(O)c1 ZINC000393471384 711160253 /nfs/dbraw/zinc/16/02/53/711160253.db2.gz GHAIDTPDCUKLBN-MNOVXSKESA-N 1 0 225.307 3.099 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)F)c(O)c1 ZINC000393471386 710606278 /nfs/dbraw/zinc/60/62/78/710606278.db2.gz GHAIDTPDCUKLBN-QWRGUYRKSA-N 1 0 225.307 3.099 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)c(O)c1 ZINC000393471388 710607194 /nfs/dbraw/zinc/60/71/94/710607194.db2.gz GHAIDTPDCUKLBN-WDEREUQCSA-N 1 0 225.307 3.099 20 10 BGCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1(C)CC1 ZINC000393756493 711172303 /nfs/dbraw/zinc/17/23/03/711172303.db2.gz XLQOYZASLQQYRO-SECBINFHSA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1(C)CC1 ZINC000393756495 711172407 /nfs/dbraw/zinc/17/24/07/711172407.db2.gz XLQOYZASLQQYRO-VIFPVBQESA-N 1 0 239.746 3.324 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCC1 ZINC000393848166 711176715 /nfs/dbraw/zinc/17/67/15/711176715.db2.gz BTPKIKHJEZWCFQ-GWCFXTLKSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCC1 ZINC000393848167 711176684 /nfs/dbraw/zinc/17/66/84/711176684.db2.gz BTPKIKHJEZWCFQ-GXFFZTMASA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1CCC1 ZINC000393848168 711177400 /nfs/dbraw/zinc/17/74/00/711177400.db2.gz BTPKIKHJEZWCFQ-MFKMUULPSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1CCC1 ZINC000393848169 711177369 /nfs/dbraw/zinc/17/73/69/711177369.db2.gz BTPKIKHJEZWCFQ-ZWNOBZJWSA-N 1 0 231.339 3.158 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]CCCC1CC1)CC2 ZINC000393870186 711679385 /nfs/dbraw/zinc/67/93/85/711679385.db2.gz XLIIIANILKBGRU-CYBMUJFWSA-N 1 0 231.339 3.159 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]CCCC1CC1)CC2 ZINC000393870188 711178525 /nfs/dbraw/zinc/17/85/25/711178525.db2.gz XLIIIANILKBGRU-ZDUSSCGKSA-N 1 0 231.339 3.159 20 10 BGCDRO Cc1csc(C[NH2+]Cc2cccc(C)c2O)c1 ZINC000393964793 710832445 /nfs/dbraw/zinc/83/24/45/710832445.db2.gz YHKFSWCDZSBJGN-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO CC(C)C1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000394112342 711184803 /nfs/dbraw/zinc/18/48/03/711184803.db2.gz RQLUJHOUEDIPEE-CYBMUJFWSA-N 1 0 245.366 3.405 20 10 BGCDRO CC(C)C1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000394112344 711184532 /nfs/dbraw/zinc/18/45/32/711184532.db2.gz RQLUJHOUEDIPEE-ZDUSSCGKSA-N 1 0 245.366 3.405 20 10 BGCDRO Oc1ccccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000394816355 711197205 /nfs/dbraw/zinc/19/72/05/711197205.db2.gz NLNYCNPJZYBVDF-AWEZNQCLSA-N 1 0 231.339 3.205 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394816358 711197923 /nfs/dbraw/zinc/19/79/23/711197923.db2.gz NLNYCNPJZYBVDF-CQSZACIVSA-N 1 0 231.339 3.205 20 10 BGCDRO CC/C=C\C[NH2+]Cc1cc(Cl)ccc1O ZINC000395024882 711691947 /nfs/dbraw/zinc/69/19/47/711691947.db2.gz OPCGCFLZGGUTFF-ARJAWSKDSA-N 1 0 225.719 3.101 20 10 BGCDRO CC/C=C/C[NH2+]Cc1cc(Cl)ccc1O ZINC000395024883 711199515 /nfs/dbraw/zinc/19/95/15/711199515.db2.gz OPCGCFLZGGUTFF-ONEGZZNKSA-N 1 0 225.719 3.101 20 10 BGCDRO CC/C=C/C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000395108095 711201822 /nfs/dbraw/zinc/20/18/22/711201822.db2.gz IBQSGVKZGMSXMB-AATRIKPKSA-N 1 0 219.328 3.059 20 10 BGCDRO CC/C=C\C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000395108097 711201945 /nfs/dbraw/zinc/20/19/45/711201945.db2.gz IBQSGVKZGMSXMB-WAYWQWQTSA-N 1 0 219.328 3.059 20 10 BGCDRO CC1(C)CC([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000395162631 711203063 /nfs/dbraw/zinc/20/30/63/711203063.db2.gz ALSLLDCDHLBEBF-UHFFFAOYSA-N 1 0 239.746 3.324 20 10 BGCDRO COc1ccc(C[NH2+]C2CC(C)(C)C2)cc1C ZINC000395165936 711201802 /nfs/dbraw/zinc/20/18/02/711201802.db2.gz CODSQLLRMPBDFK-UHFFFAOYSA-N 1 0 233.355 3.282 20 10 BGCDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1O ZINC000395168075 711203266 /nfs/dbraw/zinc/20/32/66/711203266.db2.gz DWPOEGLNAYTBEQ-JTQLQIEISA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1O ZINC000395168078 711203997 /nfs/dbraw/zinc/20/39/97/711203997.db2.gz DWPOEGLNAYTBEQ-SNVBAGLBSA-N 1 0 219.328 3.231 20 10 BGCDRO CC1(C)CC([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000395187149 711205331 /nfs/dbraw/zinc/20/53/31/711205331.db2.gz UCWDNJWLOUMAOR-UHFFFAOYSA-N 1 0 239.746 3.324 20 10 BGCDRO CCOc1cccc(C[NH2+]C2CC(C)(C)C2)c1O ZINC000395188033 711693154 /nfs/dbraw/zinc/69/31/54/711693154.db2.gz VEXJBTHYPPLQRY-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1cc(F)ccc1O ZINC000395189110 711204513 /nfs/dbraw/zinc/20/45/13/711204513.db2.gz WFSAOOHLBSBROH-SECBINFHSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1cc(F)ccc1O ZINC000395189113 711205265 /nfs/dbraw/zinc/20/52/65/711205265.db2.gz WFSAOOHLBSBROH-VIFPVBQESA-N 1 0 237.318 3.371 20 10 BGCDRO CC1(C)CC([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000395192816 711205302 /nfs/dbraw/zinc/20/53/02/711205302.db2.gz YZTFOIXWEZUSCE-GFCCVEGCSA-N 1 0 231.339 3.158 20 10 BGCDRO CC1(C)CC([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000395192817 711204599 /nfs/dbraw/zinc/20/45/99/711204599.db2.gz YZTFOIXWEZUSCE-LBPRGKRZSA-N 1 0 231.339 3.158 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000395229386 711693244 /nfs/dbraw/zinc/69/32/44/711693244.db2.gz UAHYDIPJNXPYCH-JTQLQIEISA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C2CC(C)(C)C2)c1 ZINC000395229390 711693240 /nfs/dbraw/zinc/69/32/40/711693240.db2.gz UAHYDIPJNXPYCH-SNVBAGLBSA-N 1 0 249.354 3.240 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C2CC(C)(C)C2)cc1 ZINC000395297395 711207577 /nfs/dbraw/zinc/20/75/77/711207577.db2.gz ODHVQHHCBNZRJU-UHFFFAOYSA-N 1 0 232.371 3.031 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CC13CCCC3)CC2 ZINC000395652316 711214496 /nfs/dbraw/zinc/21/44/96/711214496.db2.gz SIPSFNHHLNJLNX-GXTWGEPZSA-N 1 0 243.350 3.302 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CC13CCCC3)CC2 ZINC000395652317 711214739 /nfs/dbraw/zinc/21/47/39/711214739.db2.gz SIPSFNHHLNJLNX-JSGCOSHPSA-N 1 0 243.350 3.302 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CC13CCCC3)CC2 ZINC000395652318 711214610 /nfs/dbraw/zinc/21/46/10/711214610.db2.gz SIPSFNHHLNJLNX-OCCSQVGLSA-N 1 0 243.350 3.302 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CC13CCCC3)CC2 ZINC000395652319 711214858 /nfs/dbraw/zinc/21/48/58/711214858.db2.gz SIPSFNHHLNJLNX-TZMCWYRMSA-N 1 0 243.350 3.302 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1O ZINC000396525118 711222855 /nfs/dbraw/zinc/22/28/55/711222855.db2.gz IAMDPZQRBYJJJC-AAEUAGOBSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1O ZINC000396525121 711222094 /nfs/dbraw/zinc/22/20/94/711222094.db2.gz IAMDPZQRBYJJJC-DGCLKSJQSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1ccccc1O ZINC000396525123 711221993 /nfs/dbraw/zinc/22/19/93/711221993.db2.gz IAMDPZQRBYJJJC-WCQYABFASA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1ccccc1O ZINC000396525126 711222940 /nfs/dbraw/zinc/22/29/40/711222940.db2.gz IAMDPZQRBYJJJC-YPMHNXCESA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H](C[NH2+]Cc1ccccc1O)CC(F)(F)F ZINC000396975367 711704462 /nfs/dbraw/zinc/70/44/62/711704462.db2.gz FKVDMMYZQMCXDZ-SECBINFHSA-N 1 0 247.260 3.070 20 10 BGCDRO C[C@H](C[NH2+]Cc1ccccc1O)CC(F)(F)F ZINC000396975372 711374328 /nfs/dbraw/zinc/37/43/28/711374328.db2.gz FKVDMMYZQMCXDZ-VIFPVBQESA-N 1 0 247.260 3.070 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000397632762 711388673 /nfs/dbraw/zinc/38/86/73/711388673.db2.gz NPOGNHBDXCNKSQ-MHEUCROKSA-N 1 0 244.382 3.202 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(N(C)C)cc1 ZINC000397632764 711388357 /nfs/dbraw/zinc/38/83/57/711388357.db2.gz NPOGNHBDXCNKSQ-REBRKWNGSA-N 1 0 244.382 3.202 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CC1(C)C ZINC000397634332 711388478 /nfs/dbraw/zinc/38/84/78/711388478.db2.gz WNWPHGPMFQEXKC-BXUZGUMPSA-N 1 0 245.366 3.146 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CC1(C)C ZINC000397634335 711388460 /nfs/dbraw/zinc/38/84/60/711388460.db2.gz WNWPHGPMFQEXKC-FZMZJTMJSA-N 1 0 245.366 3.146 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1CC1(C)C ZINC000397634337 711388637 /nfs/dbraw/zinc/38/86/37/711388637.db2.gz WNWPHGPMFQEXKC-RISCZKNCSA-N 1 0 245.366 3.146 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1CC1(C)C ZINC000397634339 711388584 /nfs/dbraw/zinc/38/85/84/711388584.db2.gz WNWPHGPMFQEXKC-SMDDNHRTSA-N 1 0 245.366 3.146 20 10 BGCDRO COc1ccc(C[NH2+]CCC=C(C)C)cc1C ZINC000397640464 711386300 /nfs/dbraw/zinc/38/63/00/711386300.db2.gz ALQLXTOKMIDMFQ-UHFFFAOYSA-N 1 0 233.355 3.450 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)c1 ZINC000397682533 710908857 /nfs/dbraw/zinc/90/88/57/710908857.db2.gz UJXYYVRMUFPTGF-AAEUAGOBSA-N 1 0 233.355 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H]2CC2(C)C)c1 ZINC000397682535 710908974 /nfs/dbraw/zinc/90/89/74/710908974.db2.gz UJXYYVRMUFPTGF-DGCLKSJQSA-N 1 0 233.355 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H]2CC2(C)C)c1 ZINC000397682537 710908324 /nfs/dbraw/zinc/90/83/24/710908324.db2.gz UJXYYVRMUFPTGF-WCQYABFASA-N 1 0 233.355 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2CC2(C)C)c1 ZINC000397682539 710909385 /nfs/dbraw/zinc/90/93/85/710909385.db2.gz UJXYYVRMUFPTGF-YPMHNXCESA-N 1 0 233.355 3.225 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CC1(C)C ZINC000397683744 711389256 /nfs/dbraw/zinc/38/92/56/711389256.db2.gz USQSCCDSYZKMRG-CHWSQXEVSA-N 1 0 233.355 3.307 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@H]1CC1(C)C ZINC000397683746 711389659 /nfs/dbraw/zinc/38/96/59/711389659.db2.gz USQSCCDSYZKMRG-OLZOCXBDSA-N 1 0 233.355 3.307 20 10 BGCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CC1(C)C ZINC000397683750 711388794 /nfs/dbraw/zinc/38/87/94/711388794.db2.gz USQSCCDSYZKMRG-QWHCGFSZSA-N 1 0 233.355 3.307 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CC1(C)C ZINC000397683752 711389021 /nfs/dbraw/zinc/38/90/21/711389021.db2.gz USQSCCDSYZKMRG-STQMWFEESA-N 1 0 233.355 3.307 20 10 BGCDRO CC(C)=CCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000397688780 711388766 /nfs/dbraw/zinc/38/87/66/711388766.db2.gz YMEILPZJTDFUCG-UHFFFAOYSA-N 1 0 232.371 3.199 20 10 BGCDRO CCOc1cccc(C[NH2+]CCC=C(C)C)c1O ZINC000397809666 711393025 /nfs/dbraw/zinc/39/30/25/711393025.db2.gz IKLDYKSJWXAZEW-UHFFFAOYSA-N 1 0 249.354 3.237 20 10 BGCDRO CC(C)=CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000397826818 711393245 /nfs/dbraw/zinc/39/32/45/711393245.db2.gz JKRHIALCKLDUSY-UHFFFAOYSA-N 1 0 231.339 3.067 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CC1(C)C ZINC000397851611 711394213 /nfs/dbraw/zinc/39/42/13/711394213.db2.gz WDEVWYFRYLGDDS-DOMZBBRYSA-N 1 0 246.398 3.277 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CC1(C)C ZINC000397851613 711393673 /nfs/dbraw/zinc/39/36/73/711393673.db2.gz WDEVWYFRYLGDDS-IUODEOHRSA-N 1 0 246.398 3.277 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H]1CC1(C)C ZINC000397851614 711393971 /nfs/dbraw/zinc/39/39/71/711393971.db2.gz WDEVWYFRYLGDDS-SWLSCSKDSA-N 1 0 246.398 3.277 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@@H]1CC1(C)C ZINC000397851616 711707415 /nfs/dbraw/zinc/70/74/15/711707415.db2.gz WDEVWYFRYLGDDS-WFASDCNBSA-N 1 0 246.398 3.277 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(O)c1 ZINC000397895640 711395408 /nfs/dbraw/zinc/39/54/08/711395408.db2.gz VBOZCKHHIBRUGS-FVCCEPFGSA-N 1 0 231.339 3.150 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(O)c1 ZINC000397895644 711395491 /nfs/dbraw/zinc/39/54/91/711395491.db2.gz VBOZCKHHIBRUGS-RVMXOQNASA-N 1 0 231.339 3.150 20 10 BGCDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1O ZINC000397900276 711395253 /nfs/dbraw/zinc/39/52/53/711395253.db2.gz XHDVODNTLWITSD-GFQSEFKGSA-N 1 0 231.339 3.231 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1O ZINC000397900279 711395902 /nfs/dbraw/zinc/39/59/02/711395902.db2.gz XHDVODNTLWITSD-OPDFLTKYSA-N 1 0 231.339 3.231 20 10 BGCDRO COc1ccc(C[NH2+][C@H](C)CCC2CC2)c(O)c1 ZINC000398030646 711400150 /nfs/dbraw/zinc/40/01/50/711400150.db2.gz JSBTXHGSORAEBB-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(C[NH2+][C@@H](C)CCC2CC2)c(O)c1 ZINC000398030648 711399976 /nfs/dbraw/zinc/39/99/76/711399976.db2.gz JSBTXHGSORAEBB-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO C[C@H](CCC1CC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000398055440 711400731 /nfs/dbraw/zinc/40/07/31/711400731.db2.gz YKFFODZVSNWXIO-CYBMUJFWSA-N 1 0 246.398 3.421 20 10 BGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000398055442 711401287 /nfs/dbraw/zinc/40/12/87/711401287.db2.gz YKFFODZVSNWXIO-ZDUSSCGKSA-N 1 0 246.398 3.421 20 10 BGCDRO CC(C)([NH2+]Cc1cc(F)ccc1O)C1CCC1 ZINC000398057182 711400758 /nfs/dbraw/zinc/40/07/58/711400758.db2.gz ZFZIWLSRBZOEBM-UHFFFAOYSA-N 1 0 237.318 3.200 20 10 BGCDRO CC(C)([NH2+]Cc1ccccc1O)C1CCC1 ZINC000398133949 711401971 /nfs/dbraw/zinc/40/19/71/711401971.db2.gz XBZDHIVIQXZANV-UHFFFAOYSA-N 1 0 219.328 3.061 20 10 BGCDRO C[C@@H](CCC1CC1)[NH2+]Cc1cc(F)ccc1O ZINC000398134454 711402068 /nfs/dbraw/zinc/40/20/68/711402068.db2.gz XEZYAPHTJXWMOH-JTQLQIEISA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@H](CCC1CC1)[NH2+]Cc1cc(F)ccc1O ZINC000398134456 711402202 /nfs/dbraw/zinc/40/22/02/711402202.db2.gz XEZYAPHTJXWMOH-SNVBAGLBSA-N 1 0 237.318 3.200 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1 ZINC000398137004 711402142 /nfs/dbraw/zinc/40/21/42/711402142.db2.gz NWFYDMPXEOIYQW-UHFFFAOYSA-N 1 0 244.382 3.175 20 10 BGCDRO Cc1cccc(C[NH2+][C@H](C)CCC2CC2)c1O ZINC000398138876 711403385 /nfs/dbraw/zinc/40/33/85/711403385.db2.gz INEYWRANAZBRDU-GFCCVEGCSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H](C)CCC2CC2)c1O ZINC000398138878 711403411 /nfs/dbraw/zinc/40/34/11/711403411.db2.gz INEYWRANAZBRDU-LBPRGKRZSA-N 1 0 233.355 3.369 20 10 BGCDRO COc1ccc(O)c(C[NH2+]C(C)(C)C2CCC2)c1 ZINC000398152585 711403108 /nfs/dbraw/zinc/40/31/08/711403108.db2.gz OAHXUMVORFHJMD-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1cccc(C[NH2+]C(C)(C)C2CCC2)c1O ZINC000398152678 711403325 /nfs/dbraw/zinc/40/33/25/711403325.db2.gz HDRPSCZSVBRNBJ-UHFFFAOYSA-N 1 0 233.355 3.369 20 10 BGCDRO COc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1C ZINC000398161071 711403151 /nfs/dbraw/zinc/40/31/51/711403151.db2.gz ZMMLCPMPIDRJGU-UHFFFAOYSA-N 1 0 245.366 3.426 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCC2CC2)c1 ZINC000398179435 711403905 /nfs/dbraw/zinc/40/39/05/711403905.db2.gz WUQJINIVJWZMOJ-GFCCVEGCSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCC2CC2)c1 ZINC000398179436 711404421 /nfs/dbraw/zinc/40/44/21/711404421.db2.gz WUQJINIVJWZMOJ-LBPRGKRZSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)C2CCC2)c1 ZINC000398195337 711404450 /nfs/dbraw/zinc/40/44/50/711404450.db2.gz YYLHDZHTFYSFQL-UHFFFAOYSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+]C2(C3(C)CC3)CC2)c1O ZINC000398207187 711404431 /nfs/dbraw/zinc/40/44/31/711404431.db2.gz DFSSEHWFDRSXAV-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C(C)(C)C2CCC2)cc1 ZINC000398208111 711403947 /nfs/dbraw/zinc/40/39/47/711403947.db2.gz IALJKKKFVCSWJC-UHFFFAOYSA-N 1 0 246.398 3.421 20 10 BGCDRO COc1cccc(C[NH2+]C(C)(C)C2CCC2)c1O ZINC000398214520 711405037 /nfs/dbraw/zinc/40/50/37/711405037.db2.gz LBXQNJYJSZSASO-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO CC(C)([NH2+]Cc1ccc2c(c1)CCO2)C1CCC1 ZINC000398214589 711405633 /nfs/dbraw/zinc/40/56/33/711405633.db2.gz LIQGQMRVDILTAX-UHFFFAOYSA-N 1 0 245.366 3.290 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1ccccc1O ZINC000398216699 711405503 /nfs/dbraw/zinc/40/55/03/711405503.db2.gz MHFJPMDAPUKECF-BZPMIXESSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1ccccc1O ZINC000398216700 711405647 /nfs/dbraw/zinc/40/56/47/711405647.db2.gz MHFJPMDAPUKECF-DYEKYZERSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1ccccc1O ZINC000398216701 711405675 /nfs/dbraw/zinc/40/56/75/711405675.db2.gz MHFJPMDAPUKECF-OBJOEFQTSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1ccccc1O ZINC000398216703 711405783 /nfs/dbraw/zinc/40/57/83/711405783.db2.gz MHFJPMDAPUKECF-SCRDCRAPSA-N 1 0 249.354 3.000 20 10 BGCDRO CC1(C2([NH2+]Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC000398220383 711405020 /nfs/dbraw/zinc/40/50/20/711405020.db2.gz OMISAJWJDFFFRF-UHFFFAOYSA-N 1 0 243.350 3.044 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2(C3(C)CC3)CC2)c1 ZINC000398226965 711405622 /nfs/dbraw/zinc/40/56/22/711405622.db2.gz UXVYMZKPJVLJHD-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cccc(C[NH2+][C@@]2(C)CC=CCC2)c1O ZINC000398288204 711407232 /nfs/dbraw/zinc/40/72/32/711407232.db2.gz HBSYPXWUIZQBOH-HNNXBMFYSA-N 1 0 231.339 3.289 20 10 BGCDRO Cc1cccc(C[NH2+][C@]2(C)CC=CCC2)c1O ZINC000398288206 711407063 /nfs/dbraw/zinc/40/70/63/711407063.db2.gz HBSYPXWUIZQBOH-OAHLLOKOSA-N 1 0 231.339 3.289 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@]2(C)CC=CCC2)c1 ZINC000398307043 711407505 /nfs/dbraw/zinc/40/75/05/711407505.db2.gz PVVFOTUZFXCDSY-HNNXBMFYSA-N 1 0 231.339 3.289 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@]2(C)CC=CCC2)c1 ZINC000398307045 711407688 /nfs/dbraw/zinc/40/76/88/711407688.db2.gz PVVFOTUZFXCDSY-OAHLLOKOSA-N 1 0 231.339 3.289 20 10 BGCDRO C[C@]1([NH2+]Cc2cc(F)ccc2O)CC=CCC1 ZINC000398339834 711407590 /nfs/dbraw/zinc/40/75/90/711407590.db2.gz RBTGMKLROORDSL-AWEZNQCLSA-N 1 0 235.302 3.120 20 10 BGCDRO C[C@@]1([NH2+]Cc2cc(F)ccc2O)CC=CCC1 ZINC000398339840 711408370 /nfs/dbraw/zinc/40/83/70/711408370.db2.gz RBTGMKLROORDSL-CQSZACIVSA-N 1 0 235.302 3.120 20 10 BGCDRO C[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CC=CCC1 ZINC000398362137 711409564 /nfs/dbraw/zinc/40/95/64/711409564.db2.gz DYNZYSWWESLUGL-INIZCTEOSA-N 1 0 243.350 3.210 20 10 BGCDRO C[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CC=CCC1 ZINC000398362140 711409092 /nfs/dbraw/zinc/40/90/92/711409092.db2.gz DYNZYSWWESLUGL-MRXNPFEDSA-N 1 0 243.350 3.210 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CC=CCC2)cc1 ZINC000398424804 711409706 /nfs/dbraw/zinc/40/97/06/711409706.db2.gz RLLQMHAFURNIIY-INIZCTEOSA-N 1 0 244.382 3.341 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@]2(C)CC=CCC2)cc1 ZINC000398424806 711409398 /nfs/dbraw/zinc/40/93/98/711409398.db2.gz RLLQMHAFURNIIY-MRXNPFEDSA-N 1 0 244.382 3.341 20 10 BGCDRO Oc1cccc(Cl)c1C[NH+]1C2CCC1CC2 ZINC000398865650 711415771 /nfs/dbraw/zinc/41/57/71/711415771.db2.gz CBBFHGSUTWTPCY-UHFFFAOYSA-N 1 0 237.730 3.172 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH+]1C2CCC1CC2 ZINC000398935304 711742093 /nfs/dbraw/zinc/74/20/93/711742093.db2.gz ZXEPENPLEDZJRE-UHFFFAOYSA-N 1 0 237.730 3.172 20 10 BGCDRO CC[C@@]1(C)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000399358197 711747167 /nfs/dbraw/zinc/74/71/67/711747167.db2.gz OZJOBNSYJJUIPY-HNNXBMFYSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[C@]1(C)CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000399358198 711746997 /nfs/dbraw/zinc/74/69/97/711746997.db2.gz OZJOBNSYJJUIPY-OAHLLOKOSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[C@@]1(C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000399363680 711429512 /nfs/dbraw/zinc/42/95/12/711429512.db2.gz RCQYPPFWBNJXAP-HNNXBMFYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@]1(C)CC[N@H+](Cc2cccc(OC)c2O)C1 ZINC000399363684 711429009 /nfs/dbraw/zinc/42/90/09/711429009.db2.gz RCQYPPFWBNJXAP-OAHLLOKOSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000399365226 711428273 /nfs/dbraw/zinc/42/82/73/711428273.db2.gz RTKGTKORXMEVKX-AWEZNQCLSA-N 1 0 219.328 3.014 20 10 BGCDRO CC[C@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000399365229 711429107 /nfs/dbraw/zinc/42/91/07/711429107.db2.gz RTKGTKORXMEVKX-CQSZACIVSA-N 1 0 219.328 3.014 20 10 BGCDRO CC[C@@]1(C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000399369798 710911201 /nfs/dbraw/zinc/91/12/01/710911201.db2.gz UMGFDEJVPHFYIP-HNNXBMFYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@]1(C)CC[N@H+](Cc2cc(OC)ccc2O)C1 ZINC000399369800 710910450 /nfs/dbraw/zinc/91/04/50/710910450.db2.gz UMGFDEJVPHFYIP-OAHLLOKOSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@@]1(C)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000399374258 711747102 /nfs/dbraw/zinc/74/71/02/711747102.db2.gz WPBVMOPVQZXWAC-HNNXBMFYSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[C@]1(C)CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000399374259 711428901 /nfs/dbraw/zinc/42/89/01/711428901.db2.gz WPBVMOPVQZXWAC-OAHLLOKOSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000399374963 711429397 /nfs/dbraw/zinc/42/93/97/711429397.db2.gz WVSNFKCJMYKMQJ-AWEZNQCLSA-N 1 0 237.318 3.153 20 10 BGCDRO CC[C@]1(C)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000399374964 711428375 /nfs/dbraw/zinc/42/83/75/711428375.db2.gz WVSNFKCJMYKMQJ-CQSZACIVSA-N 1 0 237.318 3.153 20 10 BGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc(OC)c1O ZINC000399501694 711429902 /nfs/dbraw/zinc/42/99/02/711429902.db2.gz BNERDQABMVXSTQ-AAEUAGOBSA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(OC)c1O ZINC000399501697 711429797 /nfs/dbraw/zinc/42/97/97/711429797.db2.gz BNERDQABMVXSTQ-DGCLKSJQSA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(OC)c1O ZINC000399501700 711430190 /nfs/dbraw/zinc/43/01/90/711430190.db2.gz BNERDQABMVXSTQ-WCQYABFASA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(OC)c1O ZINC000399501703 711430538 /nfs/dbraw/zinc/43/05/38/711430538.db2.gz BNERDQABMVXSTQ-YPMHNXCESA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)ccc1O ZINC000399505469 711430181 /nfs/dbraw/zinc/43/01/81/711430181.db2.gz CIGQWNDJEFSCKU-AAEUAGOBSA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)ccc1O ZINC000399505472 711430254 /nfs/dbraw/zinc/43/02/54/711430254.db2.gz CIGQWNDJEFSCKU-DGCLKSJQSA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)ccc1O ZINC000399505475 711430642 /nfs/dbraw/zinc/43/06/42/711430642.db2.gz CIGQWNDJEFSCKU-WCQYABFASA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)ccc1O ZINC000399505478 711430831 /nfs/dbraw/zinc/43/08/31/711430831.db2.gz CIGQWNDJEFSCKU-YPMHNXCESA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1cccc(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1O ZINC000399518468 711429856 /nfs/dbraw/zinc/42/98/56/711429856.db2.gz BQQDRVWQNWWHKX-AVGNSLFASA-N 1 0 233.355 3.177 20 10 BGCDRO Cc1cccc(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1O ZINC000399518470 711430228 /nfs/dbraw/zinc/43/02/28/711430228.db2.gz BQQDRVWQNWWHKX-RWMBFGLXSA-N 1 0 233.355 3.177 20 10 BGCDRO Cc1cccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1O ZINC000399518472 711430705 /nfs/dbraw/zinc/43/07/05/711430705.db2.gz BQQDRVWQNWWHKX-XQQFMLRXSA-N 1 0 233.355 3.177 20 10 BGCDRO Cc1cccc(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1O ZINC000399518474 711430678 /nfs/dbraw/zinc/43/06/78/711430678.db2.gz BQQDRVWQNWWHKX-YNEHKIRRSA-N 1 0 233.355 3.177 20 10 BGCDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cc(F)ccc2O)C[C@H]1C ZINC000399587173 711432595 /nfs/dbraw/zinc/43/25/95/711432595.db2.gz UESWGKNGKBMEAJ-GMTAPVOTSA-N 1 0 237.318 3.008 20 10 BGCDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cc(F)ccc2O)[C@H]1C ZINC000399587174 711433105 /nfs/dbraw/zinc/43/31/05/711433105.db2.gz UESWGKNGKBMEAJ-MXWKQRLJSA-N 1 0 237.318 3.008 20 10 BGCDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000399587175 711433087 /nfs/dbraw/zinc/43/30/87/711433087.db2.gz UESWGKNGKBMEAJ-OUAUKWLOSA-N 1 0 237.318 3.008 20 10 BGCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)[C@@H](C)[C@H]1C ZINC000399587176 711433002 /nfs/dbraw/zinc/43/30/02/711433002.db2.gz UESWGKNGKBMEAJ-VWYCJHECSA-N 1 0 237.318 3.008 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)c1 ZINC000399588858 711433077 /nfs/dbraw/zinc/43/30/77/711433077.db2.gz UREILPVPBWPPKC-AVGNSLFASA-N 1 0 233.355 3.177 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)c1 ZINC000399588860 711432983 /nfs/dbraw/zinc/43/29/83/711432983.db2.gz UREILPVPBWPPKC-RWMBFGLXSA-N 1 0 233.355 3.177 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)c1 ZINC000399588863 711433050 /nfs/dbraw/zinc/43/30/50/711433050.db2.gz UREILPVPBWPPKC-XQQFMLRXSA-N 1 0 233.355 3.177 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)c1 ZINC000399588864 711433015 /nfs/dbraw/zinc/43/30/15/711433015.db2.gz UREILPVPBWPPKC-YNEHKIRRSA-N 1 0 233.355 3.177 20 10 BGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1O ZINC000399591307 711432776 /nfs/dbraw/zinc/43/27/76/711432776.db2.gz MWBLYUWJRQHNHT-AAEUAGOBSA-N 1 0 219.328 3.013 20 10 BGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccccc1O ZINC000399591309 711432819 /nfs/dbraw/zinc/43/28/19/711432819.db2.gz MWBLYUWJRQHNHT-DGCLKSJQSA-N 1 0 219.328 3.013 20 10 BGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccccc1O ZINC000399591311 711432960 /nfs/dbraw/zinc/43/29/60/711432960.db2.gz MWBLYUWJRQHNHT-WCQYABFASA-N 1 0 219.328 3.013 20 10 BGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccccc1O ZINC000399591313 711433058 /nfs/dbraw/zinc/43/30/58/711433058.db2.gz MWBLYUWJRQHNHT-YPMHNXCESA-N 1 0 219.328 3.013 20 10 BGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000399616208 711433116 /nfs/dbraw/zinc/43/31/16/711433116.db2.gz RBCXGPSFALCQHH-GWCFXTLKSA-N 1 0 237.318 3.152 20 10 BGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000399616209 711432583 /nfs/dbraw/zinc/43/25/83/711432583.db2.gz RBCXGPSFALCQHH-GXFFZTMASA-N 1 0 237.318 3.152 20 10 BGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000399616210 711756775 /nfs/dbraw/zinc/75/67/75/711756775.db2.gz RBCXGPSFALCQHH-MFKMUULPSA-N 1 0 237.318 3.152 20 10 BGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000399616211 711432721 /nfs/dbraw/zinc/43/27/21/711432721.db2.gz RBCXGPSFALCQHH-ZWNOBZJWSA-N 1 0 237.318 3.152 20 10 BGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(C)c1O ZINC000399625867 711432917 /nfs/dbraw/zinc/43/29/17/711432917.db2.gz SWSFDIYFKSUVKB-BXUZGUMPSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cccc(C)c1O ZINC000399625870 711432518 /nfs/dbraw/zinc/43/25/18/711432518.db2.gz SWSFDIYFKSUVKB-FZMZJTMJSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cccc(C)c1O ZINC000399625872 711432953 /nfs/dbraw/zinc/43/29/53/711432953.db2.gz SWSFDIYFKSUVKB-RISCZKNCSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cccc(C)c1O ZINC000399625880 711433024 /nfs/dbraw/zinc/43/30/24/711433024.db2.gz SWSFDIYFKSUVKB-SMDDNHRTSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)ccc1O ZINC000399632135 711433083 /nfs/dbraw/zinc/43/30/83/711433083.db2.gz VCWPNEUCWRNROX-GXTWGEPZSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(C)ccc1O ZINC000399632139 711432710 /nfs/dbraw/zinc/43/27/10/711432710.db2.gz VCWPNEUCWRNROX-JSGCOSHPSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)ccc1O ZINC000399632140 711432789 /nfs/dbraw/zinc/43/27/89/711432789.db2.gz VCWPNEUCWRNROX-OCCSQVGLSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(C)ccc1O ZINC000399632142 711432807 /nfs/dbraw/zinc/43/28/07/711432807.db2.gz VCWPNEUCWRNROX-TZMCWYRMSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1scc(C[NH2+]Cc2ccccc2O)c1C ZINC000399793124 711434726 /nfs/dbraw/zinc/43/47/26/711434726.db2.gz YJMRZMACMJAABN-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403175136 322981038 /nfs/dbraw/zinc/98/10/38/322981038.db2.gz DUGNBBZFIKWLFW-GRYCIOLGSA-N 1 0 249.329 3.057 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403175141 322981019 /nfs/dbraw/zinc/98/10/19/322981019.db2.gz DUGNBBZFIKWLFW-UTUOFQBUSA-N 1 0 249.329 3.057 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403329938 322946391 /nfs/dbraw/zinc/94/63/91/322946391.db2.gz BYQLYUXPABKBCO-HZSPNIEDSA-N 1 0 245.366 3.226 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403329939 322946352 /nfs/dbraw/zinc/94/63/52/322946352.db2.gz BYQLYUXPABKBCO-MCIONIFRSA-N 1 0 245.366 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1O ZINC000403431611 323002527 /nfs/dbraw/zinc/00/25/27/323002527.db2.gz YDRQGBSJLNPOSX-NFAWXSAZSA-N 1 0 245.366 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1O ZINC000403431614 323002308 /nfs/dbraw/zinc/00/23/08/323002308.db2.gz YDRQGBSJLNPOSX-VNHYZAJKSA-N 1 0 245.366 3.226 20 10 BGCDRO Cc1c2ccccc2n(C)c1C[NH2+]CC1(F)CC1 ZINC000527237434 387545567 /nfs/dbraw/zinc/54/55/67/387545567.db2.gz LFEKHMQXOGTTMY-UHFFFAOYSA-N 1 0 246.329 3.078 20 10 BGCDRO COc1ccc(C[NH2+]CC2CC=CC2)cc1C ZINC000527750018 323676791 /nfs/dbraw/zinc/67/67/91/323676791.db2.gz CTIKYSKGPXJOHY-UHFFFAOYSA-N 1 0 231.339 3.059 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC2CC=CC2)cc1C ZINC000527750043 323676618 /nfs/dbraw/zinc/67/66/18/323676618.db2.gz DSFOMZYXCOXZBJ-UHFFFAOYSA-N 1 0 231.339 3.065 20 10 BGCDRO Oc1cccc(Cl)c1C[NH2+]CC1CC=CC1 ZINC000527751657 387692625 /nfs/dbraw/zinc/69/26/25/387692625.db2.gz XSVYWOZOOKBYQC-UHFFFAOYSA-N 1 0 237.730 3.101 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1CC=CC1 ZINC000527751741 387692080 /nfs/dbraw/zinc/69/20/80/387692080.db2.gz YXDRKPVSASBYIK-UHFFFAOYSA-N 1 0 237.730 3.101 20 10 BGCDRO CCC([NH2+]Cc1ccccc1O)(C1CC1)C1CC1 ZINC000527763217 387699603 /nfs/dbraw/zinc/69/96/03/387699603.db2.gz LKJXGRXXWMVEHR-UHFFFAOYSA-N 1 0 245.366 3.451 20 10 BGCDRO Oc1ccccc1C[NH2+]CC[C@@H]1CC=CCC1 ZINC000527789805 387714594 /nfs/dbraw/zinc/71/45/94/387714594.db2.gz OKFKMPIFVRSJMP-CYBMUJFWSA-N 1 0 231.339 3.228 20 10 BGCDRO Oc1ccccc1C[NH2+]CC[C@H]1CC=CCC1 ZINC000527789808 262882240 /nfs/dbraw/zinc/88/22/40/262882240.db2.gz OKFKMPIFVRSJMP-ZDUSSCGKSA-N 1 0 231.339 3.228 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CC=CC2)c(O)c1 ZINC000527943985 323722988 /nfs/dbraw/zinc/72/29/88/323722988.db2.gz AYNWSUFGQCGSRZ-GFCCVEGCSA-N 1 0 231.339 3.317 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC2CC=CC2)c(O)c1 ZINC000527943988 323723299 /nfs/dbraw/zinc/72/32/99/323723299.db2.gz AYNWSUFGQCGSRZ-LBPRGKRZSA-N 1 0 231.339 3.317 20 10 BGCDRO C[C@H]([NH2+]CC1CC=CC1)c1cc(F)ccc1O ZINC000527947436 323724093 /nfs/dbraw/zinc/72/40/93/323724093.db2.gz IUXBIJWACNHCPW-JTQLQIEISA-N 1 0 235.302 3.148 20 10 BGCDRO C[C@@H]([NH2+]CC1CC=CC1)c1cc(F)ccc1O ZINC000527947438 323724149 /nfs/dbraw/zinc/72/41/49/323724149.db2.gz IUXBIJWACNHCPW-SNVBAGLBSA-N 1 0 235.302 3.148 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2CC=CC2)c1 ZINC000527949347 323724796 /nfs/dbraw/zinc/72/47/96/323724796.db2.gz MYVUYLLLAUIEAQ-GFCCVEGCSA-N 1 0 231.339 3.317 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2CC=CC2)c1 ZINC000527949348 323725341 /nfs/dbraw/zinc/72/53/41/323725341.db2.gz MYVUYLLLAUIEAQ-LBPRGKRZSA-N 1 0 231.339 3.317 20 10 BGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](CC)c1ccccc1O ZINC000527979812 387798723 /nfs/dbraw/zinc/79/87/23/387798723.db2.gz OXQCAWVYKXHXGT-CFVMTHIKSA-N 1 0 249.354 3.000 20 10 BGCDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](CC)c1ccccc1O ZINC000527979823 387798569 /nfs/dbraw/zinc/79/85/69/387798569.db2.gz OXQCAWVYKXHXGT-YUELXQCFSA-N 1 0 249.354 3.000 20 10 BGCDRO C[N@@H+](Cc1ccccc1O)CC1CC(C)(C)C1 ZINC000528421058 323096950 /nfs/dbraw/zinc/09/69/50/323096950.db2.gz ZPPCTVWLLCXCHJ-UHFFFAOYSA-N 1 0 233.355 3.260 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H]1CC=CCC1 ZINC000529665980 324373423 /nfs/dbraw/zinc/37/34/23/324373423.db2.gz HPPPWMBXMWKMDT-GFCCVEGCSA-N 1 0 249.329 3.367 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H]1CC=CCC1 ZINC000529665981 324373414 /nfs/dbraw/zinc/37/34/14/324373414.db2.gz HPPPWMBXMWKMDT-LBPRGKRZSA-N 1 0 249.329 3.367 20 10 BGCDRO COc1ccc2c(c1)CCCN2CCC(C)C ZINC000584650721 358305058 /nfs/dbraw/zinc/30/50/58/358305058.db2.gz VODKYSLLMNTKRQ-UHFFFAOYSA-N 1 0 233.355 3.494 20 10 BGCDRO C[C@@H](C[NH2+][C@H](C)c1ccccc1O)CC(F)F ZINC000700028724 711983482 /nfs/dbraw/zinc/98/34/82/711983482.db2.gz GMZOLTIAUJQQDT-NXEZZACHSA-N 1 0 243.297 3.334 20 10 BGCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)CC(F)F ZINC000700028726 711983744 /nfs/dbraw/zinc/98/37/44/711983744.db2.gz GMZOLTIAUJQQDT-UWVGGRQHSA-N 1 0 243.297 3.334 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccccc1O ZINC000700028728 711983428 /nfs/dbraw/zinc/98/34/28/711983428.db2.gz GMZOLTIAUJQQDT-VHSXEESVSA-N 1 0 243.297 3.334 20 10 BGCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)CC(F)F ZINC000700028729 711983274 /nfs/dbraw/zinc/98/32/74/711983274.db2.gz GMZOLTIAUJQQDT-ZJUUUORDSA-N 1 0 243.297 3.334 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000700066183 711985416 /nfs/dbraw/zinc/98/54/16/711985416.db2.gz YDLKBNRSSFKIHU-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2(C3CCC3)CC2)c1 ZINC000700098664 711986057 /nfs/dbraw/zinc/98/60/57/711986057.db2.gz XSDXHHGHPXFBBQ-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO c1cc(C[NH2+]C2CC3(CCC3)C2)cc2c1OCC2 ZINC000700192752 711987278 /nfs/dbraw/zinc/98/72/78/711987278.db2.gz SCRJNUQTKZNTEY-UHFFFAOYSA-N 1 0 243.350 3.044 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCC(C)(C)F)c1 ZINC000700506090 711995063 /nfs/dbraw/zinc/99/50/63/711995063.db2.gz XWKKRGLESPIJRU-LLVKDONJSA-N 1 0 239.334 3.489 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCC(C)(C)F)c1 ZINC000700506091 711995530 /nfs/dbraw/zinc/99/55/30/711995530.db2.gz XWKKRGLESPIJRU-NSHDSACASA-N 1 0 239.334 3.489 20 10 BGCDRO CC1CC(C[NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000700795645 711852493 /nfs/dbraw/zinc/85/24/93/711852493.db2.gz WDLVFFFYOFNXCW-UHFFFAOYSA-N 1 0 239.746 3.181 20 10 BGCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCC1CCC1 ZINC000700808741 712006878 /nfs/dbraw/zinc/00/68/78/712006878.db2.gz LUMZLXFGHIJLTL-UHFFFAOYSA-N 1 0 244.382 3.088 20 10 BGCDRO CC(C)=CCCN1CCCc2cc(C[NH3+])ccc21 ZINC000700851050 712008403 /nfs/dbraw/zinc/00/84/03/712008403.db2.gz PRJDBWMLOPREMM-UHFFFAOYSA-N 1 0 244.382 3.254 20 10 BGCDRO CC1(CN2CCCc3cc(C[NH3+])ccc32)CCC1 ZINC000700924272 712010516 /nfs/dbraw/zinc/01/05/16/712010516.db2.gz JZMSDXONVCCHKG-UHFFFAOYSA-N 1 0 244.382 3.088 20 10 BGCDRO CC[C@](C)([NH2+]Cc1cc(C)ccc1O)C1CC1 ZINC000701099865 712014824 /nfs/dbraw/zinc/01/48/24/712014824.db2.gz SHGBASDEBYETSG-HNNXBMFYSA-N 1 0 233.355 3.369 20 10 BGCDRO CC[C@@](C)([NH2+]Cc1cc(C)ccc1O)C1CC1 ZINC000701099866 712014713 /nfs/dbraw/zinc/01/47/13/712014713.db2.gz SHGBASDEBYETSG-OAHLLOKOSA-N 1 0 233.355 3.369 20 10 BGCDRO C[C@H]([NH2+]CCc1ccoc1)c1cc(F)ccc1O ZINC000701314582 712019897 /nfs/dbraw/zinc/01/98/97/712019897.db2.gz RXJLKZSZIWBRKW-JTQLQIEISA-N 1 0 249.285 3.018 20 10 BGCDRO C[C@@H]([NH2+]CCc1ccoc1)c1cc(F)ccc1O ZINC000701314583 712019973 /nfs/dbraw/zinc/01/99/73/712019973.db2.gz RXJLKZSZIWBRKW-SNVBAGLBSA-N 1 0 249.285 3.018 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccoc2)c(O)c1 ZINC000701418871 712022755 /nfs/dbraw/zinc/02/27/55/712022755.db2.gz BXOGMJHAZQIMRA-GFCCVEGCSA-N 1 0 245.322 3.187 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccoc2)c(O)c1 ZINC000701418872 712022813 /nfs/dbraw/zinc/02/28/13/712022813.db2.gz BXOGMJHAZQIMRA-LBPRGKRZSA-N 1 0 245.322 3.187 20 10 BGCDRO CC(C)CC1([NH2+]Cc2ccccc2O)CC1 ZINC000701448846 712023346 /nfs/dbraw/zinc/02/33/46/712023346.db2.gz DQMRWFCHINJCJS-UHFFFAOYSA-N 1 0 219.328 3.061 20 10 BGCDRO CC(C)CC1([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000701449437 712023455 /nfs/dbraw/zinc/02/34/55/712023455.db2.gz NTQKAAPWZMJTPJ-UHFFFAOYSA-N 1 0 245.366 3.290 20 10 BGCDRO COc1cccc(C[NH2+]C2(CC(C)C)CC2)c1O ZINC000701459165 712023574 /nfs/dbraw/zinc/02/35/74/712023574.db2.gz BOUGOFWVXCSTMH-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+]C2(CC(C)C)CC2)c1 ZINC000701459892 712023764 /nfs/dbraw/zinc/02/37/64/712023764.db2.gz FKTSZCXDXDCWEU-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2(CC(C)C)CC2)c1 ZINC000701467388 712024053 /nfs/dbraw/zinc/02/40/53/712024053.db2.gz CEAXJGXLHMVDEJ-UHFFFAOYSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1cccc(C[NH2+]C2(CC(C)C)CC2)c1O ZINC000701467838 712023978 /nfs/dbraw/zinc/02/39/78/712023978.db2.gz INVFAMYGJAFQQT-UHFFFAOYSA-N 1 0 233.355 3.369 20 10 BGCDRO CC(C)CC1([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000701483591 712024197 /nfs/dbraw/zinc/02/41/97/712024197.db2.gz TUDGHAPLMFOANX-UHFFFAOYSA-N 1 0 237.318 3.200 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccccc1O ZINC000701494034 712025106 /nfs/dbraw/zinc/02/51/06/712025106.db2.gz RKLWVJUAZQUWQO-AGIUHOORSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccccc1O ZINC000701494035 712024772 /nfs/dbraw/zinc/02/47/72/712024772.db2.gz RKLWVJUAZQUWQO-FRRDWIJNSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccccc1O ZINC000701494036 712024836 /nfs/dbraw/zinc/02/48/36/712024836.db2.gz RKLWVJUAZQUWQO-JHJVBQTASA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccccc1O ZINC000701494037 712025057 /nfs/dbraw/zinc/02/50/57/712025057.db2.gz RKLWVJUAZQUWQO-UPJWGTAASA-N 1 0 249.354 3.000 20 10 BGCDRO CC1(C)CC(C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000701662514 712027002 /nfs/dbraw/zinc/02/70/02/712027002.db2.gz UTPPPQHWWGPBIE-UHFFFAOYSA-N 1 0 245.366 3.147 20 10 BGCDRO CC1(C)CC(C[NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000701662563 712026873 /nfs/dbraw/zinc/02/68/73/712026873.db2.gz XRNMTQLZBMRIRY-CYBMUJFWSA-N 1 0 245.366 3.405 20 10 BGCDRO CC1(C)CC(C[NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000701662564 712026851 /nfs/dbraw/zinc/02/68/51/712026851.db2.gz XRNMTQLZBMRIRY-ZDUSSCGKSA-N 1 0 245.366 3.405 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CC2CC(C)(C)C2)c1 ZINC000701688774 712027914 /nfs/dbraw/zinc/02/79/14/712027914.db2.gz JCBVQPOZAKVMOR-UHFFFAOYSA-N 1 0 233.355 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]CC2CC(C)(C)C2)c1O ZINC000701689245 712028066 /nfs/dbraw/zinc/02/80/66/712028066.db2.gz NWOZCUDVVHXNRV-UHFFFAOYSA-N 1 0 233.355 3.226 20 10 BGCDRO CN(C)c1ccc(C[NH2+]CC2CC(C)(C)C2)cc1 ZINC000701694585 712027612 /nfs/dbraw/zinc/02/76/12/712027612.db2.gz PPBIFJGGLZIVDY-UHFFFAOYSA-N 1 0 246.398 3.278 20 10 BGCDRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccccc1O ZINC000701934620 712032759 /nfs/dbraw/zinc/03/27/59/712032759.db2.gz ICQDBRMYKTWLDB-NXEZZACHSA-N 1 0 241.281 3.088 20 10 BGCDRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccccc1O ZINC000701934621 712032462 /nfs/dbraw/zinc/03/24/62/712032462.db2.gz ICQDBRMYKTWLDB-UWVGGRQHSA-N 1 0 241.281 3.088 20 10 BGCDRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccccc1O ZINC000701934622 712032467 /nfs/dbraw/zinc/03/24/67/712032467.db2.gz ICQDBRMYKTWLDB-VHSXEESVSA-N 1 0 241.281 3.088 20 10 BGCDRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccccc1O ZINC000701934623 712032815 /nfs/dbraw/zinc/03/28/15/712032815.db2.gz ICQDBRMYKTWLDB-ZJUUUORDSA-N 1 0 241.281 3.088 20 10 BGCDRO CCc1cccc(C[NH2+][C@@]2(C)CC2(C)C)c1O ZINC000701975296 712033820 /nfs/dbraw/zinc/03/38/20/712033820.db2.gz ZFVHIAVQTFPUMB-HNNXBMFYSA-N 1 0 233.355 3.233 20 10 BGCDRO CCc1cccc(C[NH2+][C@]2(C)CC2(C)C)c1O ZINC000701975297 712033830 /nfs/dbraw/zinc/03/38/30/712033830.db2.gz ZFVHIAVQTFPUMB-OAHLLOKOSA-N 1 0 233.355 3.233 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CC2(C)C)cc1 ZINC000702021662 712036784 /nfs/dbraw/zinc/03/67/84/712036784.db2.gz BEAYAISYHXLHCQ-HNNXBMFYSA-N 1 0 232.371 3.031 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@]2(C)CC2(C)C)cc1 ZINC000702021663 712036800 /nfs/dbraw/zinc/03/68/00/712036800.db2.gz BEAYAISYHXLHCQ-OAHLLOKOSA-N 1 0 232.371 3.031 20 10 BGCDRO CCOc1cccc(C[NH2+][C@@]2(C)CC2(C)C)c1O ZINC000702023514 712036792 /nfs/dbraw/zinc/03/67/92/712036792.db2.gz QXGLMIQVHQIHEA-HNNXBMFYSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@]2(C)CC2(C)C)c1O ZINC000702023517 712036369 /nfs/dbraw/zinc/03/63/69/712036369.db2.gz QXGLMIQVHQIHEA-OAHLLOKOSA-N 1 0 249.354 3.069 20 10 BGCDRO CC1([NH2+]Cc2cc(Cl)ccc2O)CC=CC1 ZINC000702112985 712039562 /nfs/dbraw/zinc/03/95/62/712039562.db2.gz DJQBFLJLSZMJNZ-UHFFFAOYSA-N 1 0 237.730 3.244 20 10 BGCDRO COc1ccc(C[NH2+]C2(C)CC=CC2)cc1C ZINC000702154797 712040361 /nfs/dbraw/zinc/04/03/61/712040361.db2.gz ASBDYDSBCCDPNT-UHFFFAOYSA-N 1 0 231.339 3.202 20 10 BGCDRO CCc1cccc(C[NH2+]C2(C)CC=CC2)c1O ZINC000702157120 712040336 /nfs/dbraw/zinc/04/03/36/712040336.db2.gz PLTOASCNXSBMRU-UHFFFAOYSA-N 1 0 231.339 3.153 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2=CCCC2)c1 ZINC000702326448 712047114 /nfs/dbraw/zinc/04/71/14/712047114.db2.gz QNOQGVRKYXWWFK-LLVKDONJSA-N 1 0 247.338 3.162 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2=CCCC2)c1 ZINC000702326451 712047235 /nfs/dbraw/zinc/04/72/35/712047235.db2.gz QNOQGVRKYXWWFK-NSHDSACASA-N 1 0 247.338 3.162 20 10 BGCDRO C[C@@H]([NH2+]CC1=CCCC1)c1ccccc1O ZINC000702344781 712045504 /nfs/dbraw/zinc/04/55/04/712045504.db2.gz CXAIESCJEAWWMX-LLVKDONJSA-N 1 0 217.312 3.153 20 10 BGCDRO C[C@H]([NH2+]CC1=CCCC1)c1ccccc1O ZINC000702344782 712045788 /nfs/dbraw/zinc/04/57/88/712045788.db2.gz CXAIESCJEAWWMX-NSHDSACASA-N 1 0 217.312 3.153 20 10 BGCDRO CCc1cccc(C[NH2+]CC2=CCCC2)c1O ZINC000702363112 712048527 /nfs/dbraw/zinc/04/85/27/712048527.db2.gz LKGGFDQBHJKFNE-UHFFFAOYSA-N 1 0 231.339 3.155 20 10 BGCDRO Oc1cccc(Cl)c1C[NH2+]CC1=CCCC1 ZINC000702375523 712049131 /nfs/dbraw/zinc/04/91/31/712049131.db2.gz OKCSCEHBOUXAPP-UHFFFAOYSA-N 1 0 237.730 3.246 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2=CCCC2)c1 ZINC000702401489 712050839 /nfs/dbraw/zinc/05/08/39/712050839.db2.gz BZPHSKYJQKJKFW-GFCCVEGCSA-N 1 0 231.339 3.462 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2=CCCC2)c1 ZINC000702401490 712051085 /nfs/dbraw/zinc/05/10/85/712051085.db2.gz BZPHSKYJQKJKFW-LBPRGKRZSA-N 1 0 231.339 3.462 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC2=CCCC2)c(O)c1 ZINC000702402229 712050943 /nfs/dbraw/zinc/05/09/43/712050943.db2.gz HLPWMNYRNXGNLY-GFCCVEGCSA-N 1 0 231.339 3.462 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC2=CCCC2)c(O)c1 ZINC000702402230 712050729 /nfs/dbraw/zinc/05/07/29/712050729.db2.gz HLPWMNYRNXGNLY-LBPRGKRZSA-N 1 0 231.339 3.462 20 10 BGCDRO COc1ccc(C[NH2+]CC2=CCCC2)cc1C ZINC000702402245 712050904 /nfs/dbraw/zinc/05/09/04/712050904.db2.gz ICFUYOALMIKWPX-UHFFFAOYSA-N 1 0 231.339 3.204 20 10 BGCDRO C[C@H]([NH2+]CC1=CCCC1)c1cc(F)ccc1O ZINC000702412070 712051903 /nfs/dbraw/zinc/05/19/03/712051903.db2.gz VZGGNYYRRPXOHE-JTQLQIEISA-N 1 0 235.302 3.292 20 10 BGCDRO C[C@@H]([NH2+]CC1=CCCC1)c1cc(F)ccc1O ZINC000702412071 712051621 /nfs/dbraw/zinc/05/16/21/712051621.db2.gz VZGGNYYRRPXOHE-SNVBAGLBSA-N 1 0 235.302 3.292 20 10 BGCDRO Cc1cccc(C[NH2+]CCC2(F)CCC2)c1O ZINC000702483275 712053838 /nfs/dbraw/zinc/05/38/38/712053838.db2.gz PFAACOIXXUIQLX-UHFFFAOYSA-N 1 0 237.318 3.073 20 10 BGCDRO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccccc1O ZINC000702483976 712053682 /nfs/dbraw/zinc/05/36/82/712053682.db2.gz RGOCXCJTEUPAQN-LLVKDONJSA-N 1 0 237.318 3.325 20 10 BGCDRO C[C@H]([NH2+]CCC1(F)CCC1)c1ccccc1O ZINC000702483977 712053929 /nfs/dbraw/zinc/05/39/29/712053929.db2.gz RGOCXCJTEUPAQN-NSHDSACASA-N 1 0 237.318 3.325 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCC2(F)CCC2)c1 ZINC000702485079 712052969 /nfs/dbraw/zinc/05/29/69/712052969.db2.gz UZJJHAZEWCENFS-UHFFFAOYSA-N 1 0 237.318 3.073 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]CCC1(F)CCC1)CC2 ZINC000702538636 712055256 /nfs/dbraw/zinc/05/52/56/712055256.db2.gz YEGDJTQJEQWGIY-GFCCVEGCSA-N 1 0 249.329 3.251 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]CCC1(F)CCC1)CC2 ZINC000702538637 712055199 /nfs/dbraw/zinc/05/51/99/712055199.db2.gz YEGDJTQJEQWGIY-LBPRGKRZSA-N 1 0 249.329 3.251 20 10 BGCDRO C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000702632016 712057442 /nfs/dbraw/zinc/05/74/42/712057442.db2.gz FNGJLRCEIJWQOB-NEPJUHHUSA-N 1 0 238.350 3.151 20 10 BGCDRO C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(N(C)C)cc1 ZINC000702632017 712057204 /nfs/dbraw/zinc/05/72/04/712057204.db2.gz FNGJLRCEIJWQOB-NWDGAFQWSA-N 1 0 238.350 3.151 20 10 BGCDRO C[C@H](F)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000702632018 712057490 /nfs/dbraw/zinc/05/74/90/712057490.db2.gz FNGJLRCEIJWQOB-RYUDHWBXSA-N 1 0 238.350 3.151 20 10 BGCDRO C[C@@H](F)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000702632019 712057182 /nfs/dbraw/zinc/05/71/82/712057182.db2.gz FNGJLRCEIJWQOB-VXGBXAGGSA-N 1 0 238.350 3.151 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000702766624 712060432 /nfs/dbraw/zinc/06/04/32/712060432.db2.gz JZCIFRDQIWQPHL-UHFFFAOYSA-N 1 0 241.281 3.013 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCCC[C@@H](C)C2)c1 ZINC000703197945 712067965 /nfs/dbraw/zinc/06/79/65/712067965.db2.gz DBPLHIBJAZDIDL-CYBMUJFWSA-N 1 0 233.355 3.323 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CCCC[C@H](C)C2)c1 ZINC000703197948 712067949 /nfs/dbraw/zinc/06/79/49/712067949.db2.gz DBPLHIBJAZDIDL-ZDUSSCGKSA-N 1 0 233.355 3.323 20 10 BGCDRO C[C@@H]1CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000703199996 712067614 /nfs/dbraw/zinc/06/76/14/712067614.db2.gz NSCVJHLDTOYUGP-LLVKDONJSA-N 1 0 237.318 3.153 20 10 BGCDRO C[C@H]1CCCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000703200000 712067791 /nfs/dbraw/zinc/06/77/91/712067791.db2.gz NSCVJHLDTOYUGP-NSHDSACASA-N 1 0 237.318 3.153 20 10 BGCDRO COC1CCC([NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000703803725 712088455 /nfs/dbraw/zinc/08/84/55/712088455.db2.gz BBGVPAKNYPZANF-HIFPTAJRSA-N 1 0 249.354 3.000 20 10 BGCDRO COC1CCC([NH2+][C@H](C)c2ccccc2O)CC1 ZINC000703803727 712088232 /nfs/dbraw/zinc/08/82/32/712088232.db2.gz BBGVPAKNYPZANF-PNESKVBLSA-N 1 0 249.354 3.000 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]CC1=CCCC1)CC2 ZINC000705288963 712127764 /nfs/dbraw/zinc/12/77/64/712127764.db2.gz NPNBKBQSIZDQAH-CYBMUJFWSA-N 1 0 229.323 3.079 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]CC1=CCCC1)CC2 ZINC000705288968 712127927 /nfs/dbraw/zinc/12/79/27/712127927.db2.gz NPNBKBQSIZDQAH-ZDUSSCGKSA-N 1 0 229.323 3.079 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH2+]CC1=CCCC1 ZINC000705408812 712131483 /nfs/dbraw/zinc/13/14/83/712131483.db2.gz ZTYMCALDRTWSOY-UHFFFAOYSA-N 1 0 237.730 3.246 20 10 BGCDRO Oc1ccccc1C[NH2+]C[C@H]1CCCC12CC2 ZINC000706237422 712143319 /nfs/dbraw/zinc/14/33/19/712143319.db2.gz QZMNDBQHJPPEDT-CYBMUJFWSA-N 1 0 231.339 3.062 20 10 BGCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC000706237427 712143375 /nfs/dbraw/zinc/14/33/75/712143375.db2.gz QZMNDBQHJPPEDT-ZDUSSCGKSA-N 1 0 231.339 3.062 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCC23CC3)c1O ZINC000706254628 712142802 /nfs/dbraw/zinc/14/28/02/712142802.db2.gz ALRMXGQPXGYRFG-AWEZNQCLSA-N 1 0 245.366 3.371 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@H]2CCCC23CC3)c1O ZINC000706254637 712142838 /nfs/dbraw/zinc/14/28/38/712142838.db2.gz ALRMXGQPXGYRFG-CQSZACIVSA-N 1 0 245.366 3.371 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCCC12CC2 ZINC000706277685 712142839 /nfs/dbraw/zinc/14/28/39/712142839.db2.gz HLZBUKMLBHQPHF-GFCCVEGCSA-N 1 0 249.329 3.201 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC000706277687 712142678 /nfs/dbraw/zinc/14/26/78/712142678.db2.gz HLZBUKMLBHQPHF-LBPRGKRZSA-N 1 0 249.329 3.201 20 10 BGCDRO CC1(C)CC(C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000706489288 712147563 /nfs/dbraw/zinc/14/75/63/712147563.db2.gz XPRMNKRZCLXXKK-UHFFFAOYSA-N 1 0 237.318 3.057 20 10 BGCDRO CC1(C)C[C@@]1(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000706499381 712147183 /nfs/dbraw/zinc/14/71/83/712147183.db2.gz LEPAFMZDUHSMBZ-CYBMUJFWSA-N 1 0 239.746 3.324 20 10 BGCDRO CC1(C)C[C@]1(C)[NH2+]Cc1cc(Cl)ccc1O ZINC000706499382 712148190 /nfs/dbraw/zinc/14/81/90/712148190.db2.gz LEPAFMZDUHSMBZ-ZDUSSCGKSA-N 1 0 239.746 3.324 20 10 BGCDRO CCc1cccc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1O ZINC000706507376 712148194 /nfs/dbraw/zinc/14/81/94/712148194.db2.gz UHOQGVZTTSFLNM-RYUDHWBXSA-N 1 0 233.355 3.327 20 10 BGCDRO CCc1cccc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000706507379 712148121 /nfs/dbraw/zinc/14/81/21/712148121.db2.gz UHOQGVZTTSFLNM-TXEJJXNPSA-N 1 0 233.355 3.327 20 10 BGCDRO CCc1cccc(C[NH+]2[C@H](C)CC[C@H]2C)c1O ZINC000706507381 712147925 /nfs/dbraw/zinc/14/79/25/712147925.db2.gz UHOQGVZTTSFLNM-VXGBXAGGSA-N 1 0 233.355 3.327 20 10 BGCDRO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccccc1O ZINC000706523805 712149233 /nfs/dbraw/zinc/14/92/33/712149233.db2.gz DGLMARSDMJPTNT-LLVKDONJSA-N 1 0 233.355 3.479 20 10 BGCDRO C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccccc1O ZINC000706523806 712149350 /nfs/dbraw/zinc/14/93/50/712149350.db2.gz DGLMARSDMJPTNT-NSHDSACASA-N 1 0 233.355 3.479 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCC23CC3)cc1 ZINC000706597197 712150564 /nfs/dbraw/zinc/15/05/64/712150564.db2.gz RHKLYYSVYUEJGZ-HNNXBMFYSA-N 1 0 244.382 3.175 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000706597198 712150700 /nfs/dbraw/zinc/15/07/00/712150700.db2.gz RHKLYYSVYUEJGZ-OAHLLOKOSA-N 1 0 244.382 3.175 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1O ZINC000706902991 712159392 /nfs/dbraw/zinc/15/93/92/712159392.db2.gz MMMFHTIMQOZEEA-CYBMUJFWSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cccc(C[NH2+][C@H]2CCCC23CC3)c1O ZINC000706902992 712159490 /nfs/dbraw/zinc/15/94/90/712159490.db2.gz MMMFHTIMQOZEEA-ZDUSSCGKSA-N 1 0 231.339 3.123 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000706903414 712160455 /nfs/dbraw/zinc/16/04/55/712160455.db2.gz NZXXUIRTKVJBHZ-GHMZBOCLSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000706903416 712160384 /nfs/dbraw/zinc/16/03/84/712160384.db2.gz NZXXUIRTKVJBHZ-MNOVXSKESA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000706903418 712160402 /nfs/dbraw/zinc/16/04/02/712160402.db2.gz NZXXUIRTKVJBHZ-QWRGUYRKSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C2(C)CC2)c1 ZINC000706903420 712160176 /nfs/dbraw/zinc/16/01/76/712160176.db2.gz NZXXUIRTKVJBHZ-WDEREUQCSA-N 1 0 249.354 3.240 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1ccccc1O ZINC000706903924 712160425 /nfs/dbraw/zinc/16/04/25/712160425.db2.gz QCXHWOQYAYYDMV-BXUZGUMPSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1ccccc1O ZINC000706903927 712159999 /nfs/dbraw/zinc/15/99/99/712159999.db2.gz QCXHWOQYAYYDMV-FZMZJTMJSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccccc1O ZINC000706903929 712160085 /nfs/dbraw/zinc/16/00/85/712160085.db2.gz QCXHWOQYAYYDMV-RISCZKNCSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccccc1O ZINC000706903931 712160019 /nfs/dbraw/zinc/16/00/19/712160019.db2.gz QCXHWOQYAYYDMV-SMDDNHRTSA-N 1 0 231.339 3.376 20 10 BGCDRO CCOc1cccc(C[NH2+][C@H](C)C2(C)CC2)c1O ZINC000706905343 712160471 /nfs/dbraw/zinc/16/04/71/712160471.db2.gz WZBKEZOPXBASRW-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1O ZINC000706905345 712160220 /nfs/dbraw/zinc/16/02/20/712160220.db2.gz WZBKEZOPXBASRW-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000706905622 712160258 /nfs/dbraw/zinc/16/02/58/712160258.db2.gz ZPIGNNWJPFKYPY-AWEZNQCLSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000706905625 712160406 /nfs/dbraw/zinc/16/04/06/712160406.db2.gz ZPIGNNWJPFKYPY-CQSZACIVSA-N 1 0 231.339 3.123 20 10 BGCDRO CCc1cccc(C[NH2+][C@H](C)C2(C)CC2)c1O ZINC000706933764 712161694 /nfs/dbraw/zinc/16/16/94/712161694.db2.gz AXNILLTXTZNDIC-LLVKDONJSA-N 1 0 233.355 3.233 20 10 BGCDRO CCc1cccc(C[NH2+][C@@H](C)C2(C)CC2)c1O ZINC000706933766 712161887 /nfs/dbraw/zinc/16/18/87/712161887.db2.gz AXNILLTXTZNDIC-NSHDSACASA-N 1 0 233.355 3.233 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1(C)CC1 ZINC000706934625 712162200 /nfs/dbraw/zinc/16/22/00/712162200.db2.gz ZBDJBNLEJVZZPI-CMPLNLGQSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C1(C)CC1 ZINC000706934627 712162113 /nfs/dbraw/zinc/16/21/13/712162113.db2.gz ZBDJBNLEJVZZPI-JQWIXIFHSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C1(C)CC1 ZINC000706934630 712162061 /nfs/dbraw/zinc/16/20/61/712162061.db2.gz ZBDJBNLEJVZZPI-PWSUYJOCSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)C1(C)CC1 ZINC000706934632 712162417 /nfs/dbraw/zinc/16/24/17/712162417.db2.gz ZBDJBNLEJVZZPI-ZYHUDNBSSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1cc(F)ccc1O ZINC000706942396 712162561 /nfs/dbraw/zinc/16/25/61/712162561.db2.gz NJCORHNINGMMDL-NXEZZACHSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(F)ccc1O ZINC000706942401 712162496 /nfs/dbraw/zinc/16/24/96/712162496.db2.gz NJCORHNINGMMDL-UWVGGRQHSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C1(C)CC1 ZINC000706942403 712162284 /nfs/dbraw/zinc/16/22/84/712162284.db2.gz NJCORHNINGMMDL-VHSXEESVSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1cc(F)ccc1O ZINC000706942407 712162378 /nfs/dbraw/zinc/16/23/78/712162378.db2.gz NJCORHNINGMMDL-ZJUUUORDSA-N 1 0 237.318 3.371 20 10 BGCDRO c1cc(C[NH2+][C@H]2CCCC23CC3)cc2c1OCC2 ZINC000706947467 712163073 /nfs/dbraw/zinc/16/30/73/712163073.db2.gz KMHOIXSDQVQLLD-HNNXBMFYSA-N 1 0 243.350 3.044 20 10 BGCDRO c1cc(C[NH2+][C@@H]2CCCC23CC3)cc2c1OCC2 ZINC000706947468 712162994 /nfs/dbraw/zinc/16/29/94/712162994.db2.gz KMHOIXSDQVQLLD-OAHLLOKOSA-N 1 0 243.350 3.044 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCC13CC3)CC2 ZINC000706947477 712163114 /nfs/dbraw/zinc/16/31/14/712163114.db2.gz KXWXSXKGXRBDPS-GXTWGEPZSA-N 1 0 243.350 3.302 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCCC13CC3)CC2 ZINC000706947478 712163093 /nfs/dbraw/zinc/16/30/93/712163093.db2.gz KXWXSXKGXRBDPS-JSGCOSHPSA-N 1 0 243.350 3.302 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCCC13CC3)CC2 ZINC000706947479 712163157 /nfs/dbraw/zinc/16/31/57/712163157.db2.gz KXWXSXKGXRBDPS-OCCSQVGLSA-N 1 0 243.350 3.302 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCC13CC3)CC2 ZINC000706947480 712162732 /nfs/dbraw/zinc/16/27/32/712162732.db2.gz KXWXSXKGXRBDPS-TZMCWYRMSA-N 1 0 243.350 3.302 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1C ZINC000706953908 712163141 /nfs/dbraw/zinc/16/31/41/712163141.db2.gz HKWVMNOFRRXNIH-HNNXBMFYSA-N 1 0 245.366 3.426 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1C ZINC000706953909 712163143 /nfs/dbraw/zinc/16/31/43/712163143.db2.gz HKWVMNOFRRXNIH-OAHLLOKOSA-N 1 0 245.366 3.426 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000707045649 712163993 /nfs/dbraw/zinc/16/39/93/712163993.db2.gz WTSLMKRLKUYBNE-AWEZNQCLSA-N 1 0 245.366 3.371 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000707045654 712163966 /nfs/dbraw/zinc/16/39/66/712163966.db2.gz WTSLMKRLKUYBNE-CQSZACIVSA-N 1 0 245.366 3.371 20 10 BGCDRO Oc1ccccc1C[NH+]1C2CCCC1CCC2 ZINC000707154006 712166216 /nfs/dbraw/zinc/16/62/16/712166216.db2.gz ZWZHCJRMFYLYCB-UHFFFAOYSA-N 1 0 231.339 3.299 20 10 BGCDRO Oc1ccc(F)cc1C[NH+]1C2CCCC1CCC2 ZINC000707154417 712165471 /nfs/dbraw/zinc/16/54/71/712165471.db2.gz HFSSNIYBDLBBBM-UHFFFAOYSA-N 1 0 249.329 3.438 20 10 BGCDRO CCC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000708468510 712195528 /nfs/dbraw/zinc/19/55/28/712195528.db2.gz VUYLJIOZUTXPPB-CYBMUJFWSA-N 1 0 233.355 3.404 20 10 BGCDRO CCC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000708468513 712195610 /nfs/dbraw/zinc/19/56/10/712195610.db2.gz VUYLJIOZUTXPPB-ZDUSSCGKSA-N 1 0 233.355 3.404 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000708860688 712201310 /nfs/dbraw/zinc/20/13/10/712201310.db2.gz BVUBPBFGAANLQC-AWEZNQCLSA-N 1 0 245.366 3.404 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000708860690 712201241 /nfs/dbraw/zinc/20/12/41/712201241.db2.gz BVUBPBFGAANLQC-CQSZACIVSA-N 1 0 245.366 3.404 20 10 BGCDRO CCCC[N@H+](C)Cc1cccc(CC)c1O ZINC000709327545 712219848 /nfs/dbraw/zinc/21/98/48/712219848.db2.gz WTSUGCXLXADDSN-UHFFFAOYSA-N 1 0 221.344 3.187 20 10 BGCDRO CCCCC[NH2+]Cc1cccc(CC)c1O ZINC000709395865 712220836 /nfs/dbraw/zinc/22/08/36/712220836.db2.gz BGYPCPXEMHDZMH-UHFFFAOYSA-N 1 0 221.344 3.234 20 10 BGCDRO CCc1cccc(C[NH2+]CCC(C)C)c1O ZINC000709401233 712220900 /nfs/dbraw/zinc/22/09/00/712220900.db2.gz MZOCEQINIKHOHJ-UHFFFAOYSA-N 1 0 221.344 3.090 20 10 BGCDRO CCc1cccc(C[NH2+]C2CC(C)(C)C2)c1O ZINC000709401313 712220902 /nfs/dbraw/zinc/22/09/02/712220902.db2.gz NVSKWSBRFLGIHZ-UHFFFAOYSA-N 1 0 233.355 3.233 20 10 BGCDRO CC/C=C/C[NH2+]Cc1cccc(CC)c1O ZINC000709429995 712221831 /nfs/dbraw/zinc/22/18/31/712221831.db2.gz YVCHJLAUVMVERO-AATRIKPKSA-N 1 0 219.328 3.010 20 10 BGCDRO CC/C=C\C[NH2+]Cc1cccc(CC)c1O ZINC000709429996 712221860 /nfs/dbraw/zinc/22/18/60/712221860.db2.gz YVCHJLAUVMVERO-WAYWQWQTSA-N 1 0 219.328 3.010 20 10 BGCDRO CCc1cccc(C[NH2+][C@@H](CC)C2CC2)c1O ZINC000709433385 712221856 /nfs/dbraw/zinc/22/18/56/712221856.db2.gz TYBCKQTXBPOMTF-AWEZNQCLSA-N 1 0 233.355 3.233 20 10 BGCDRO CCc1cccc(C[NH2+][C@H](CC)C2CC2)c1O ZINC000709433386 712221824 /nfs/dbraw/zinc/22/18/24/712221824.db2.gz TYBCKQTXBPOMTF-CQSZACIVSA-N 1 0 233.355 3.233 20 10 BGCDRO CCc1cccc(C[NH2+]C[C@@H](C)C2CC2)c1O ZINC000709434315 712221871 /nfs/dbraw/zinc/22/18/71/712221871.db2.gz YDFKQMPBRIJLMM-LLVKDONJSA-N 1 0 233.355 3.090 20 10 BGCDRO CCc1cccc(C[NH2+]C[C@H](C)C2CC2)c1O ZINC000709434317 712221730 /nfs/dbraw/zinc/22/17/30/712221730.db2.gz YDFKQMPBRIJLMM-NSHDSACASA-N 1 0 233.355 3.090 20 10 BGCDRO CCc1cccc(C[NH2+]C(C)(C)C2CC2)c1O ZINC000709434647 712221775 /nfs/dbraw/zinc/22/17/75/712221775.db2.gz HIRZUJIESQAHGE-UHFFFAOYSA-N 1 0 233.355 3.233 20 10 BGCDRO CCc1cccc(C[NH2+]CC2(C)CCC2)c1O ZINC000709435762 712222062 /nfs/dbraw/zinc/22/20/62/712222062.db2.gz OCEWWXQAUXHLGO-UHFFFAOYSA-N 1 0 233.355 3.234 20 10 BGCDRO CCc1cccc(C[NH2+]C2(C)CCCC2)c1O ZINC000709436518 712221993 /nfs/dbraw/zinc/22/19/93/712221993.db2.gz UZMYTOOEADUDEO-UHFFFAOYSA-N 1 0 233.355 3.377 20 10 BGCDRO CC[C@H]([NH2+]CCOC1CCC1)c1ccccc1O ZINC000709829625 712228870 /nfs/dbraw/zinc/22/88/70/712228870.db2.gz CSUSZZCKQUNQGI-AWEZNQCLSA-N 1 0 249.354 3.002 20 10 BGCDRO CC[C@@H]([NH2+]CCOC1CCC1)c1ccccc1O ZINC000709829627 712228908 /nfs/dbraw/zinc/22/89/08/712228908.db2.gz CSUSZZCKQUNQGI-CQSZACIVSA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@H](CC1CCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710192671 712248297 /nfs/dbraw/zinc/24/82/97/712248297.db2.gz UDTGPBLVYAYELS-GFCCVEGCSA-N 1 0 245.366 3.290 20 10 BGCDRO C[C@@H](CC1CCC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710192675 712248186 /nfs/dbraw/zinc/24/81/86/712248186.db2.gz UDTGPBLVYAYELS-LBPRGKRZSA-N 1 0 245.366 3.290 20 10 BGCDRO COc1cccc(C[NH2+][C@H](C)CC2CCC2)c1O ZINC000710194072 712248288 /nfs/dbraw/zinc/24/82/88/712248288.db2.gz GWGQSTXSACGKHZ-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(C[NH2+][C@@H](C)CC2CCC2)c1O ZINC000710194074 712248115 /nfs/dbraw/zinc/24/81/15/712248115.db2.gz GWGQSTXSACGKHZ-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@H](C)CC2CCC2)c1 ZINC000710194740 712248072 /nfs/dbraw/zinc/24/80/72/712248072.db2.gz IJHVIWCPDOOBJN-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CC2CCC2)c1 ZINC000710194744 712248458 /nfs/dbraw/zinc/24/84/58/712248458.db2.gz IJHVIWCPDOOBJN-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(C[NH2+][C@H](C)CC2CCC2)c(O)c1 ZINC000710195812 712248479 /nfs/dbraw/zinc/24/84/79/712248479.db2.gz NHJVNQDRHHGNSB-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1ccc(C[NH2+][C@@H](C)CC2CCC2)c(O)c1 ZINC000710195815 712248233 /nfs/dbraw/zinc/24/82/33/712248233.db2.gz NHJVNQDRHHGNSB-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC2CCC2)c1 ZINC000710260200 712249655 /nfs/dbraw/zinc/24/96/55/712249655.db2.gz WJHANHVGVYNEIV-GFCCVEGCSA-N 1 0 233.355 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC2CCC2)c1 ZINC000710260201 712249740 /nfs/dbraw/zinc/24/97/40/712249740.db2.gz WJHANHVGVYNEIV-LBPRGKRZSA-N 1 0 233.355 3.369 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000710368416 712253184 /nfs/dbraw/zinc/25/31/84/712253184.db2.gz KHEXGGWMRCBTAA-ZWNOBZJWSA-N 1 0 237.730 3.078 20 10 BGCDRO Oc1ccccc1C[NH2+]C[C@@]12C[C@@H]1CCCC2 ZINC000710484236 712253752 /nfs/dbraw/zinc/25/37/52/712253752.db2.gz TYXBUIMHOWNDSI-DZGCQCFKSA-N 1 0 231.339 3.062 20 10 BGCDRO Oc1ccccc1C[NH2+]C[C@]12C[C@H]1CCCC2 ZINC000710484239 712253739 /nfs/dbraw/zinc/25/37/39/712253739.db2.gz TYXBUIMHOWNDSI-HIFRSBDPSA-N 1 0 231.339 3.062 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000710594120 712264052 /nfs/dbraw/zinc/26/40/52/712264052.db2.gz FMWFRFLLBYDPKM-IPYPFGDCSA-N 1 0 245.366 3.226 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1O ZINC000710594125 712263852 /nfs/dbraw/zinc/26/38/52/712263852.db2.gz FMWFRFLLBYDPKM-KCQAQPDRSA-N 1 0 245.366 3.226 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000710606274 712264122 /nfs/dbraw/zinc/26/41/22/712264122.db2.gz FUHQVHQULGOANX-UZGDPCLZSA-N 1 0 231.339 3.231 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000710632189 712264242 /nfs/dbraw/zinc/26/42/42/712264242.db2.gz BAEDIZLWHVRKRM-COPLHBTASA-N 1 0 249.329 3.057 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000710632200 712264011 /nfs/dbraw/zinc/26/40/11/712264011.db2.gz BAEDIZLWHVRKRM-SUNKGSAMSA-N 1 0 249.329 3.057 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C=CCC2)c1 ZINC000711680884 712316686 /nfs/dbraw/zinc/31/66/86/712316686.db2.gz SBGIBVAPYWCKAB-NEPJUHHUSA-N 1 0 247.338 3.018 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C=CCC2)c1 ZINC000711680886 712316498 /nfs/dbraw/zinc/31/64/98/712316498.db2.gz SBGIBVAPYWCKAB-NWDGAFQWSA-N 1 0 247.338 3.018 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C=CCC2)c1 ZINC000711680888 712316468 /nfs/dbraw/zinc/31/64/68/712316468.db2.gz SBGIBVAPYWCKAB-RYUDHWBXSA-N 1 0 247.338 3.018 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C=CCC2)c1 ZINC000711680891 712316659 /nfs/dbraw/zinc/31/66/59/712316659.db2.gz SBGIBVAPYWCKAB-VXGBXAGGSA-N 1 0 247.338 3.018 20 10 BGCDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccccc1O ZINC000711685849 712317589 /nfs/dbraw/zinc/31/75/89/712317589.db2.gz MQFGVRXBOCTFKF-NEPJUHHUSA-N 1 0 217.312 3.009 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccccc1O ZINC000711685851 712317405 /nfs/dbraw/zinc/31/74/05/712317405.db2.gz MQFGVRXBOCTFKF-NWDGAFQWSA-N 1 0 217.312 3.009 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1ccccc1O ZINC000711685855 712317179 /nfs/dbraw/zinc/31/71/79/712317179.db2.gz MQFGVRXBOCTFKF-RYUDHWBXSA-N 1 0 217.312 3.009 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccccc1O ZINC000711685858 712317232 /nfs/dbraw/zinc/31/72/32/712317232.db2.gz MQFGVRXBOCTFKF-VXGBXAGGSA-N 1 0 217.312 3.009 20 10 BGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1C=CCC1 ZINC000711748080 712323806 /nfs/dbraw/zinc/32/38/06/712323806.db2.gz FNQSLXQSKCCUBW-JTQLQIEISA-N 1 0 237.730 3.101 20 10 BGCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1C=CCC1 ZINC000711748081 712324384 /nfs/dbraw/zinc/32/43/84/712324384.db2.gz FNQSLXQSKCCUBW-SNVBAGLBSA-N 1 0 237.730 3.101 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1C=CCC1 ZINC000711749957 712324064 /nfs/dbraw/zinc/32/40/64/712324064.db2.gz MQKVVSKCSHZCBB-JTQLQIEISA-N 1 0 237.730 3.101 20 10 BGCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711749961 712323956 /nfs/dbraw/zinc/32/39/56/712323956.db2.gz MQKVVSKCSHZCBB-SNVBAGLBSA-N 1 0 237.730 3.101 20 10 BGCDRO CCc1cccc(C[NH2+]C[C@@H]2C=CCC2)c1O ZINC000711756751 712325497 /nfs/dbraw/zinc/32/54/97/712325497.db2.gz BQAIHIKMYLPKHQ-GFCCVEGCSA-N 1 0 231.339 3.010 20 10 BGCDRO CCc1cccc(C[NH2+]C[C@H]2C=CCC2)c1O ZINC000711756754 712325408 /nfs/dbraw/zinc/32/54/08/712325408.db2.gz BQAIHIKMYLPKHQ-LBPRGKRZSA-N 1 0 231.339 3.010 20 10 BGCDRO CC[C@@H]([NH2+]C[C@H]1C=CCC1)c1ccccc1O ZINC000711765569 712327398 /nfs/dbraw/zinc/32/73/98/712327398.db2.gz FIOSXCDQJFTLOV-GXTWGEPZSA-N 1 0 231.339 3.399 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1C=CCC1)c1ccccc1O ZINC000711765573 712327308 /nfs/dbraw/zinc/32/73/08/712327308.db2.gz FIOSXCDQJFTLOV-JSGCOSHPSA-N 1 0 231.339 3.399 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1C=CCC1)c1ccccc1O ZINC000711765575 712327224 /nfs/dbraw/zinc/32/72/24/712327224.db2.gz FIOSXCDQJFTLOV-OCCSQVGLSA-N 1 0 231.339 3.399 20 10 BGCDRO CC[C@@H]([NH2+]C[C@@H]1C=CCC1)c1ccccc1O ZINC000711765579 712327017 /nfs/dbraw/zinc/32/70/17/712327017.db2.gz FIOSXCDQJFTLOV-TZMCWYRMSA-N 1 0 231.339 3.399 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C=CCC2)c(O)c1 ZINC000711769617 712327966 /nfs/dbraw/zinc/32/79/66/712327966.db2.gz WGHWOUAXOSLLBH-CHWSQXEVSA-N 1 0 231.339 3.317 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2C=CCC2)c(O)c1 ZINC000711769619 712327925 /nfs/dbraw/zinc/32/79/25/712327925.db2.gz WGHWOUAXOSLLBH-OLZOCXBDSA-N 1 0 231.339 3.317 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C=CCC2)c(O)c1 ZINC000711769620 712327896 /nfs/dbraw/zinc/32/78/96/712327896.db2.gz WGHWOUAXOSLLBH-QWHCGFSZSA-N 1 0 231.339 3.317 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2C=CCC2)c(O)c1 ZINC000711769622 712327801 /nfs/dbraw/zinc/32/78/01/712327801.db2.gz WGHWOUAXOSLLBH-STQMWFEESA-N 1 0 231.339 3.317 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C=CCC2)c1 ZINC000711776868 712327874 /nfs/dbraw/zinc/32/78/74/712327874.db2.gz ITVNFHILMCYOFE-CHWSQXEVSA-N 1 0 231.339 3.317 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H]2C=CCC2)c1 ZINC000711776869 712327742 /nfs/dbraw/zinc/32/77/42/712327742.db2.gz ITVNFHILMCYOFE-OLZOCXBDSA-N 1 0 231.339 3.317 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2C=CCC2)c1 ZINC000711776870 712327808 /nfs/dbraw/zinc/32/78/08/712327808.db2.gz ITVNFHILMCYOFE-QWHCGFSZSA-N 1 0 231.339 3.317 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H]2C=CCC2)c1 ZINC000711776871 712327819 /nfs/dbraw/zinc/32/78/19/712327819.db2.gz ITVNFHILMCYOFE-STQMWFEESA-N 1 0 231.339 3.317 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1cc(F)ccc1O ZINC000711790055 712331065 /nfs/dbraw/zinc/33/10/65/712331065.db2.gz WPLAWAFDDNTEMN-GHMZBOCLSA-N 1 0 235.302 3.148 20 10 BGCDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1cc(F)ccc1O ZINC000711790057 712330922 /nfs/dbraw/zinc/33/09/22/712330922.db2.gz WPLAWAFDDNTEMN-MNOVXSKESA-N 1 0 235.302 3.148 20 10 BGCDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1cc(F)ccc1O ZINC000711790059 712331161 /nfs/dbraw/zinc/33/11/61/712331161.db2.gz WPLAWAFDDNTEMN-QWRGUYRKSA-N 1 0 235.302 3.148 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1cc(F)ccc1O ZINC000711790060 712330880 /nfs/dbraw/zinc/33/08/80/712330880.db2.gz WPLAWAFDDNTEMN-WDEREUQCSA-N 1 0 235.302 3.148 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1C[C@@H]2CCCC[C@H]12 ZINC000712360155 712403170 /nfs/dbraw/zinc/40/31/70/712403170.db2.gz LDGJTKMZKHLOTC-FPMFFAJLSA-N 1 0 231.339 3.061 20 10 BGCDRO C[C@@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000712665255 712439908 /nfs/dbraw/zinc/43/99/08/712439908.db2.gz CCACFEPHAZDUFN-KYOSRNDESA-N 1 0 245.366 3.479 20 10 BGCDRO C[C@H]([NH2+]CC[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000712665256 712439996 /nfs/dbraw/zinc/43/99/96/712439996.db2.gz CCACFEPHAZDUFN-LNSITVRQSA-N 1 0 245.366 3.479 20 10 BGCDRO CCCN(CC(C)(C)C)c1ccc(C[NH3+])cc1 ZINC000713269653 712457404 /nfs/dbraw/zinc/45/74/04/712457404.db2.gz QSAMKXNSUOWAHO-UHFFFAOYSA-N 1 0 234.387 3.408 20 10 BGCDRO C=C/C=C/CC[NH2+][C@@H](C)c1ccccc1O ZINC000713471491 712461222 /nfs/dbraw/zinc/46/12/22/712461222.db2.gz PBHKCILTEYAQGS-ITKZLYELSA-N 1 0 217.312 3.175 20 10 BGCDRO C=C/C=C\CC[NH2+][C@H](C)c1ccccc1O ZINC000713471492 711692296 /nfs/dbraw/zinc/69/22/96/711692296.db2.gz PBHKCILTEYAQGS-QMAVJUDZSA-N 1 0 217.312 3.175 20 10 BGCDRO C=C/C=C\CC[NH2+][C@@H](C)c1ccccc1O ZINC000713471493 712461388 /nfs/dbraw/zinc/46/13/88/712461388.db2.gz PBHKCILTEYAQGS-RXNFCKPNSA-N 1 0 217.312 3.175 20 10 BGCDRO C=C/C=C/CC[NH2+][C@H](C)c1ccccc1O ZINC000713471494 712461126 /nfs/dbraw/zinc/46/11/26/712461126.db2.gz PBHKCILTEYAQGS-ZYOFXKKJSA-N 1 0 217.312 3.175 20 10 BGCDRO C=C/C=C\CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000713489753 711692622 /nfs/dbraw/zinc/69/26/22/711692622.db2.gz BEECESAVWHQFRJ-CFHLNLSMSA-N 1 0 231.339 3.484 20 10 BGCDRO C=C/C=C/CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000713489754 712462273 /nfs/dbraw/zinc/46/22/73/712462273.db2.gz BEECESAVWHQFRJ-GFUIURDCSA-N 1 0 231.339 3.484 20 10 BGCDRO C=C/C=C\CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000713489755 712462027 /nfs/dbraw/zinc/46/20/27/712462027.db2.gz BEECESAVWHQFRJ-SZZPACECSA-N 1 0 231.339 3.484 20 10 BGCDRO C=C/C=C/CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000713489756 712462069 /nfs/dbraw/zinc/46/20/69/712462069.db2.gz BEECESAVWHQFRJ-URWSZGRFSA-N 1 0 231.339 3.484 20 10 BGCDRO C=C/C=C\CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000713491388 711692631 /nfs/dbraw/zinc/69/26/31/711692631.db2.gz PPUCDSFIXCPERK-CFHLNLSMSA-N 1 0 231.339 3.484 20 10 BGCDRO C=C/C=C/CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000713491390 711692608 /nfs/dbraw/zinc/69/26/08/711692608.db2.gz PPUCDSFIXCPERK-GFUIURDCSA-N 1 0 231.339 3.484 20 10 BGCDRO C=C/C=C\CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000713491391 712462567 /nfs/dbraw/zinc/46/25/67/712462567.db2.gz PPUCDSFIXCPERK-SZZPACECSA-N 1 0 231.339 3.484 20 10 BGCDRO C=C/C=C/CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000713491392 711692459 /nfs/dbraw/zinc/69/24/59/711692459.db2.gz PPUCDSFIXCPERK-URWSZGRFSA-N 1 0 231.339 3.484 20 10 BGCDRO C=C/C=C\CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000713492128 711692616 /nfs/dbraw/zinc/69/26/16/711692616.db2.gz WVARSGNCWUCBHV-DHCBQETCSA-N 1 0 229.323 3.101 20 10 BGCDRO C=C/C=C/CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000713492132 712462471 /nfs/dbraw/zinc/46/24/71/712462471.db2.gz WVARSGNCWUCBHV-ITDFMYJTSA-N 1 0 229.323 3.101 20 10 BGCDRO C=C/C=C/CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000713492137 711692558 /nfs/dbraw/zinc/69/25/58/711692558.db2.gz WVARSGNCWUCBHV-OOPCZODUSA-N 1 0 229.323 3.101 20 10 BGCDRO C=C/C=C\CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000713492141 712462718 /nfs/dbraw/zinc/46/27/18/712462718.db2.gz WVARSGNCWUCBHV-SCOBNMCVSA-N 1 0 229.323 3.101 20 10 BGCDRO C=C/C=C\CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000713494933 712462738 /nfs/dbraw/zinc/46/27/38/712462738.db2.gz FDXBNNYTFRTOMA-DOGVGXBMSA-N 1 0 235.302 3.314 20 10 BGCDRO C=C/C=C/CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000713494936 711692590 /nfs/dbraw/zinc/69/25/90/711692590.db2.gz FDXBNNYTFRTOMA-SGUJLRQBSA-N 1 0 235.302 3.314 20 10 BGCDRO C=C/C=C\CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000713494941 712462504 /nfs/dbraw/zinc/46/25/04/712462504.db2.gz FDXBNNYTFRTOMA-WYGGZMRJSA-N 1 0 235.302 3.314 20 10 BGCDRO C=C/C=C/CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000713494943 712462657 /nfs/dbraw/zinc/46/26/57/712462657.db2.gz FDXBNNYTFRTOMA-ZWNMCFTASA-N 1 0 235.302 3.314 20 10 BGCDRO C=C/C=C/CC[NH2+]Cc1cccc(OCC)c1O ZINC000713500184 712463448 /nfs/dbraw/zinc/46/34/48/712463448.db2.gz XYNCWXXKXHZKDX-AATRIKPKSA-N 1 0 247.338 3.013 20 10 BGCDRO C=C/C=C\CC[NH2+]Cc1cccc(OCC)c1O ZINC000713500186 712463424 /nfs/dbraw/zinc/46/34/24/712463424.db2.gz XYNCWXXKXHZKDX-WAYWQWQTSA-N 1 0 247.338 3.013 20 10 BGCDRO C=C/C=C/CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000713500517 712463358 /nfs/dbraw/zinc/46/33/58/712463358.db2.gz ZUJYUNOBNPPPNN-BTDICHCPSA-N 1 0 247.338 3.184 20 10 BGCDRO C=C/C=C\CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000713500520 711692539 /nfs/dbraw/zinc/69/25/39/711692539.db2.gz ZUJYUNOBNPPPNN-FJOGCWAESA-N 1 0 247.338 3.184 20 10 BGCDRO C=C/C=C\CC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000713500543 712463512 /nfs/dbraw/zinc/46/35/12/712463512.db2.gz ZUJYUNOBNPPPNN-FOQNGQEVSA-N 1 0 247.338 3.184 20 10 BGCDRO C=C/C=C/CC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000713500546 712463646 /nfs/dbraw/zinc/46/36/46/712463646.db2.gz ZUJYUNOBNPPPNN-FYJFLYSWSA-N 1 0 247.338 3.184 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2CC(C(C)C)C2)c1 ZINC000714596472 712488445 /nfs/dbraw/zinc/48/84/45/712488445.db2.gz BCWHUUNKJQKEOL-UHFFFAOYSA-N 1 0 233.355 3.225 20 10 BGCDRO CC(C)C1CC([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000714603078 712488150 /nfs/dbraw/zinc/48/81/50/712488150.db2.gz PFPTZSCPZZLSGO-HIFPTAJRSA-N 1 0 233.355 3.477 20 10 BGCDRO CC(C)C1CC([NH2+][C@H](C)c2ccccc2O)C1 ZINC000714603081 712488252 /nfs/dbraw/zinc/48/82/52/712488252.db2.gz PFPTZSCPZZLSGO-PNESKVBLSA-N 1 0 233.355 3.477 20 10 BGCDRO CC(C)C1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000714666222 712495518 /nfs/dbraw/zinc/49/55/18/712495518.db2.gz LFCIPDZYCSRKBV-UHFFFAOYSA-N 1 0 245.366 3.146 20 10 BGCDRO CN(CC[C@@H]1C[C@H]1C1CC1)c1ccc(N)cc1 ZINC000714829925 712501311 /nfs/dbraw/zinc/50/13/11/712501311.db2.gz IRAOKIXQRLROJI-DOMZBBRYSA-N 1 0 230.355 3.141 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CC23CC3)cc1 ZINC000715283696 712515806 /nfs/dbraw/zinc/51/58/06/712515806.db2.gz LNDQULKVXMXIEJ-HNNXBMFYSA-N 1 0 244.382 3.175 20 10 BGCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CC23CC3)cc1 ZINC000715283700 712515919 /nfs/dbraw/zinc/51/59/19/712515919.db2.gz LNDQULKVXMXIEJ-OAHLLOKOSA-N 1 0 244.382 3.175 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccns1 ZINC000715925725 712543154 /nfs/dbraw/zinc/54/31/54/712543154.db2.gz GUEWATZVNSTYGW-NXEZZACHSA-N 1 0 248.351 3.261 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccns1 ZINC000715925727 712543123 /nfs/dbraw/zinc/54/31/23/712543123.db2.gz GUEWATZVNSTYGW-UWVGGRQHSA-N 1 0 248.351 3.261 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccns1 ZINC000715925729 712542983 /nfs/dbraw/zinc/54/29/83/712542983.db2.gz GUEWATZVNSTYGW-VHSXEESVSA-N 1 0 248.351 3.261 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccccc1O ZINC000715925731 712543187 /nfs/dbraw/zinc/54/31/87/712543187.db2.gz GUEWATZVNSTYGW-ZJUUUORDSA-N 1 0 248.351 3.261 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ccns2)c1 ZINC000715927192 712543087 /nfs/dbraw/zinc/54/30/87/712543087.db2.gz MTMSZJNFHOBFPJ-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ccns2)c1 ZINC000715927193 712543386 /nfs/dbraw/zinc/54/33/86/712543386.db2.gz MTMSZJNFHOBFPJ-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H](C)c2ccns2)c1O ZINC000715929046 712543675 /nfs/dbraw/zinc/54/36/75/712543675.db2.gz XGMNBMNYZICVHJ-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cccc(C[NH2+][C@H](C)c2ccns2)c1O ZINC000715929049 712543772 /nfs/dbraw/zinc/54/37/72/712543772.db2.gz XGMNBMNYZICVHJ-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO COc1ccc(O)c(C[NH2+]CCCCC2CC2)c1 ZINC000716400194 712558364 /nfs/dbraw/zinc/55/83/64/712558364.db2.gz IYJUGEKWQFVMHY-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO COc1cccc(C[NH2+]CCCCC2CC2)c1O ZINC000716400936 712558314 /nfs/dbraw/zinc/55/83/14/712558314.db2.gz OFTDGRYIVQONJE-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO Oc1ccccc1C[NH2+]CCCCC1CC1 ZINC000716416985 712559701 /nfs/dbraw/zinc/55/97/01/712559701.db2.gz LKXRHWBJHLHKHT-UHFFFAOYSA-N 1 0 219.328 3.062 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C)c1ccccc1O ZINC000716610791 712567570 /nfs/dbraw/zinc/56/75/70/712567570.db2.gz WSIZBRASBDRCOH-JVSQWTDWSA-N 1 0 245.366 3.335 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C)c1ccccc1O ZINC000716610793 712567594 /nfs/dbraw/zinc/56/75/94/712567594.db2.gz WSIZBRASBDRCOH-NUNXZZDCSA-N 1 0 245.366 3.335 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C)c1ccccc1O ZINC000716610795 712567588 /nfs/dbraw/zinc/56/75/88/712567588.db2.gz WSIZBRASBDRCOH-SQLGEJSKSA-N 1 0 245.366 3.335 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C)c1ccccc1O ZINC000716610796 712567623 /nfs/dbraw/zinc/56/76/23/712567623.db2.gz WSIZBRASBDRCOH-YLXLXVFQSA-N 1 0 245.366 3.335 20 10 BGCDRO C[C@H]([NH2+]CC[C@@H]1CC[C@H]2C[C@H]21)c1ccccc1O ZINC000717117338 712632776 /nfs/dbraw/zinc/63/27/76/712632776.db2.gz BSCQIFVGPQWVJQ-ABHRYQDASA-N 1 0 245.366 3.479 20 10 BGCDRO C[C@H]([NH2+]CC[C@@H]1CC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000717117342 712632796 /nfs/dbraw/zinc/63/27/96/712632796.db2.gz BSCQIFVGPQWVJQ-RMRHIDDWSA-N 1 0 245.366 3.479 20 10 BGCDRO CC[C@H]([NH2+]CC1CC=CC1)c1ccccc1O ZINC000717275852 712642233 /nfs/dbraw/zinc/64/22/33/712642233.db2.gz GEVGOVMFQYODCP-AWEZNQCLSA-N 1 0 231.339 3.399 20 10 BGCDRO CC[C@@H]([NH2+]CC1CC=CC1)c1ccccc1O ZINC000717275855 712642298 /nfs/dbraw/zinc/64/22/98/712642298.db2.gz GEVGOVMFQYODCP-CQSZACIVSA-N 1 0 231.339 3.399 20 10 BGCDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccc(N(C)C)cc1 ZINC000717322653 712648993 /nfs/dbraw/zinc/64/89/93/712648993.db2.gz PDMZUZIAUBCOCR-CYBMUJFWSA-N 1 0 244.382 3.369 20 10 BGCDRO C[C@H]([NH2+]CC1CC=CC1)c1ccc(N(C)C)cc1 ZINC000717322655 712648913 /nfs/dbraw/zinc/64/89/13/712648913.db2.gz PDMZUZIAUBCOCR-ZDUSSCGKSA-N 1 0 244.382 3.369 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2CC=CC2)c1 ZINC000717326832 712648829 /nfs/dbraw/zinc/64/88/29/712648829.db2.gz BVDBCLBOWXOIQQ-LLVKDONJSA-N 1 0 247.338 3.018 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2CC=CC2)c1 ZINC000717326836 712648926 /nfs/dbraw/zinc/64/89/26/712648926.db2.gz BVDBCLBOWXOIQQ-NSHDSACASA-N 1 0 247.338 3.018 20 10 BGCDRO C[C@@H]([NH2+]CC1CC=CC1)c1ccccc1O ZINC000717355698 712650262 /nfs/dbraw/zinc/65/02/62/712650262.db2.gz JQFFUEYAMJZSMY-LLVKDONJSA-N 1 0 217.312 3.009 20 10 BGCDRO C[C@H]([NH2+]CC1CC=CC1)c1ccccc1O ZINC000717355699 712650238 /nfs/dbraw/zinc/65/02/38/712650238.db2.gz JQFFUEYAMJZSMY-NSHDSACASA-N 1 0 217.312 3.009 20 10 BGCDRO CCc1cccc(C[NH2+]CC2CC=CC2)c1O ZINC000717384562 712653120 /nfs/dbraw/zinc/65/31/20/712653120.db2.gz DOPDXXBVJGXLAO-UHFFFAOYSA-N 1 0 231.339 3.010 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2(C3CC3)CCC2)c1 ZINC000717809552 712680533 /nfs/dbraw/zinc/68/05/33/712680533.db2.gz CPELXSMHGNVKBQ-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cccc(C[NH2+]C2(C3CC3)CCC2)c1O ZINC000717810326 712680179 /nfs/dbraw/zinc/68/01/79/712680179.db2.gz HLCNJAKBKBZVTL-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Oc1ccccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000717851826 712694720 /nfs/dbraw/zinc/69/47/20/712694720.db2.gz LKJSEWMADXFRQH-UHFFFAOYSA-N 1 0 231.339 3.205 20 10 BGCDRO c1cc(C[NH2+]C2(C3CC3)CCC2)cc2c1OCC2 ZINC000717857365 712629225 /nfs/dbraw/zinc/62/92/25/712629225.db2.gz JSTHZSUCIAKESL-UHFFFAOYSA-N 1 0 243.350 3.044 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C2(C3CC3)CCC2)cc1 ZINC000717862741 712639081 /nfs/dbraw/zinc/63/90/81/712639081.db2.gz JDECGVRDJNXCCW-UHFFFAOYSA-N 1 0 244.382 3.175 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C1(C2CCC2)CCC1 ZINC000717884701 712731133 /nfs/dbraw/zinc/73/11/33/712731133.db2.gz KDXVIKBKZBAKJM-UHFFFAOYSA-N 1 0 249.329 3.344 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]C1CCC=CCC1)CC2 ZINC000718040664 712738226 /nfs/dbraw/zinc/73/82/26/712738226.db2.gz SZMLYSLAQIBJMU-AWEZNQCLSA-N 1 0 243.350 3.468 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]C1CCC=CCC1)CC2 ZINC000718040666 712738138 /nfs/dbraw/zinc/73/81/38/712738138.db2.gz SZMLYSLAQIBJMU-CQSZACIVSA-N 1 0 243.350 3.468 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C2CCC=CCC2)c1 ZINC000718099915 712742658 /nfs/dbraw/zinc/74/26/58/712742658.db2.gz WZWAGWBDYQSLOI-UHFFFAOYSA-N 1 0 231.339 3.289 20 10 BGCDRO Cc1cccc(C[NH2+]C2CCC=CCC2)c1O ZINC000718100414 712742742 /nfs/dbraw/zinc/74/27/42/712742742.db2.gz YVNKTUZCCVRPPE-UHFFFAOYSA-N 1 0 231.339 3.289 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C1CCC=CCC1 ZINC000718125345 712745823 /nfs/dbraw/zinc/74/58/23/712745823.db2.gz WCIMCZRIMSCPGI-UHFFFAOYSA-N 1 0 235.302 3.120 20 10 BGCDRO C[C@H]1CC([NH2+]CCc2ccc(N)cc2)C[C@H](C)C1 ZINC000719350484 712805511 /nfs/dbraw/zinc/80/55/11/712805511.db2.gz UJDZKXKWGGCIAN-CHWSQXEVSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC([NH2+]CCc2ccc(N)cc2)C[C@@H](C)C1 ZINC000719350487 712805513 /nfs/dbraw/zinc/80/55/13/712805513.db2.gz UJDZKXKWGGCIAN-STQMWFEESA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)C[C@@H](C)C1 ZINC000719350488 712805307 /nfs/dbraw/zinc/80/53/07/712805307.db2.gz UJDZKXKWGGCIAN-VIKVFOODSA-N 1 0 246.398 3.226 20 10 BGCDRO C[N@H+](Cc1ccccc1O)C1(C)CCCC1 ZINC000720374547 712836587 /nfs/dbraw/zinc/83/65/87/712836587.db2.gz PDRFFDDYYUXOLZ-UHFFFAOYSA-N 1 0 219.328 3.157 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)C2(C)CCCC2)c1 ZINC000720375430 712836693 /nfs/dbraw/zinc/83/66/93/712836693.db2.gz SCBHJCONKXVBEF-UHFFFAOYSA-N 1 0 233.355 3.465 20 10 BGCDRO C[N@H+](Cc1cc(F)ccc1O)C1(C)CCCC1 ZINC000720376408 712837199 /nfs/dbraw/zinc/83/71/99/712837199.db2.gz UZQQIGUSBBBNBJ-UHFFFAOYSA-N 1 0 237.318 3.296 20 10 BGCDRO Cc1cccc(C[N@@H+](C)C2(C)CCCC2)c1O ZINC000720376876 712837255 /nfs/dbraw/zinc/83/72/55/712837255.db2.gz ZJTCRQPBULVCDK-UHFFFAOYSA-N 1 0 233.355 3.465 20 10 BGCDRO COc1cccc(C[N@H+](C)C2(C)CCCC2)c1O ZINC000720386562 712838030 /nfs/dbraw/zinc/83/80/30/712838030.db2.gz VISIHAVKKQYTDT-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO COc1ccc(O)c(C[N@H+](C)C2(C)CCCC2)c1 ZINC000720386572 712837808 /nfs/dbraw/zinc/83/78/08/712837808.db2.gz VWWJOTVKDOYIJS-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO CCCN(C[C@H]1C[C@@H]1C)c1ccc(C[NH3+])cc1 ZINC000722631175 710719580 /nfs/dbraw/zinc/71/95/80/710719580.db2.gz XTNUODRVKATMBK-GXTWGEPZSA-N 1 0 232.371 3.018 20 10 BGCDRO CCCN(C[C@@H]1C[C@@H]1C)c1ccc(C[NH3+])cc1 ZINC000722631177 710719576 /nfs/dbraw/zinc/71/95/76/710719576.db2.gz XTNUODRVKATMBK-JSGCOSHPSA-N 1 0 232.371 3.018 20 10 BGCDRO CCCN(C[C@@H]1C[C@H]1C)c1ccc(C[NH3+])cc1 ZINC000722631179 710719428 /nfs/dbraw/zinc/71/94/28/710719428.db2.gz XTNUODRVKATMBK-OCCSQVGLSA-N 1 0 232.371 3.018 20 10 BGCDRO CCCN(C[C@H]1C[C@H]1C)c1ccc(C[NH3+])cc1 ZINC000722631181 710719651 /nfs/dbraw/zinc/71/96/51/710719651.db2.gz XTNUODRVKATMBK-TZMCWYRMSA-N 1 0 232.371 3.018 20 10 BGCDRO CCCN(Cc1ccoc1)c1ccc(C[NH3+])cc1 ZINC000723733436 710731533 /nfs/dbraw/zinc/73/15/33/710731533.db2.gz QDKWJQFGUCJESH-UHFFFAOYSA-N 1 0 244.338 3.155 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]CCC1CC=CC1)CC2 ZINC000724204252 711569736 /nfs/dbraw/zinc/56/97/36/711569736.db2.gz ZZKBTOIEJKYRHQ-AWEZNQCLSA-N 1 0 243.350 3.325 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]CCC1CC=CC1)CC2 ZINC000724204253 711569877 /nfs/dbraw/zinc/56/98/77/711569877.db2.gz ZZKBTOIEJKYRHQ-CQSZACIVSA-N 1 0 243.350 3.325 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCC2CC=CC2)c1 ZINC000724204636 711569854 /nfs/dbraw/zinc/56/98/54/711569854.db2.gz FPRYTQKBWVSTMO-UHFFFAOYSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1cccc(C[NH2+]CCC2CC=CC2)c1O ZINC000724205625 711569956 /nfs/dbraw/zinc/56/99/56/711569956.db2.gz QVXRINXKZFGEPB-UHFFFAOYSA-N 1 0 231.339 3.147 20 10 BGCDRO C[C@@H]([NH2+]CCC1CC=CC1)c1ccccc1O ZINC000724205883 711570128 /nfs/dbraw/zinc/57/01/28/711570128.db2.gz UAGFGRJWKGYAJF-GFCCVEGCSA-N 1 0 231.339 3.399 20 10 BGCDRO C[C@H]([NH2+]CCC1CC=CC1)c1ccccc1O ZINC000724205885 711570401 /nfs/dbraw/zinc/57/04/01/711570401.db2.gz UAGFGRJWKGYAJF-LBPRGKRZSA-N 1 0 231.339 3.399 20 10 BGCDRO CCOc1ccc(C[NH2+][C@H](C)C2(C)CC2)c(O)c1 ZINC000725848857 582904579 /nfs/dbraw/zinc/90/45/79/582904579.db2.gz ADUWYNBLIHOBSS-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(C[NH2+][C@@H](C)C2(C)CC2)c(O)c1 ZINC000725848858 582904589 /nfs/dbraw/zinc/90/45/89/582904589.db2.gz ADUWYNBLIHOBSS-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)C2(C)CC2)c1 ZINC000725849810 582908804 /nfs/dbraw/zinc/90/88/04/582908804.db2.gz YBYASTPHIHXQQA-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000725849811 582909052 /nfs/dbraw/zinc/90/90/52/582909052.db2.gz YBYASTPHIHXQQA-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO CCC[N@H+](CC)Cc1cc2c(cc1O)CCC2 ZINC000727820901 583777613 /nfs/dbraw/zinc/77/76/13/583777613.db2.gz QXYNKUOMRIHYNE-UHFFFAOYSA-N 1 0 233.355 3.113 20 10 BGCDRO CCC[N@H+](CC)Cc1c(O)ccc2ccncc21 ZINC000727821393 583777704 /nfs/dbraw/zinc/77/77/04/583777704.db2.gz ZARBCASPSPNAAA-UHFFFAOYSA-N 1 0 244.338 3.172 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000727824486 583778919 /nfs/dbraw/zinc/77/89/19/583778919.db2.gz QIKJDWIOKBWCCJ-HNNXBMFYSA-N 1 0 245.366 3.255 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000727824487 583778945 /nfs/dbraw/zinc/77/89/45/583778945.db2.gz QIKJDWIOKBWCCJ-OAHLLOKOSA-N 1 0 245.366 3.255 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000727825337 583779722 /nfs/dbraw/zinc/77/97/22/583779722.db2.gz ZHVIOWUGHFSLNF-AWEZNQCLSA-N 1 0 233.355 3.383 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C)c(C)cc1O ZINC000727825338 583779612 /nfs/dbraw/zinc/77/96/12/583779612.db2.gz ZHVIOWUGHFSLNF-CQSZACIVSA-N 1 0 233.355 3.383 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2C2CC2)cc1C ZINC000728562359 583897643 /nfs/dbraw/zinc/89/76/43/583897643.db2.gz MVHVRLCNPKCIFB-HNNXBMFYSA-N 1 0 245.366 3.383 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C2CC2)cc1C ZINC000728562360 583898085 /nfs/dbraw/zinc/89/80/85/583898085.db2.gz MVHVRLCNPKCIFB-OAHLLOKOSA-N 1 0 245.366 3.383 20 10 BGCDRO CC[C@@H](C)C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000732183653 584934257 /nfs/dbraw/zinc/93/42/57/584934257.db2.gz SSGXDOJJBGZFDS-GFCCVEGCSA-N 1 0 247.382 3.359 20 10 BGCDRO CC[C@H](C)C[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000732183654 584934458 /nfs/dbraw/zinc/93/44/58/584934458.db2.gz SSGXDOJJBGZFDS-LBPRGKRZSA-N 1 0 247.382 3.359 20 10 BGCDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000732184489 584934294 /nfs/dbraw/zinc/93/42/94/584934294.db2.gz UNESOKMMNMRWPS-LLVKDONJSA-N 1 0 235.371 3.487 20 10 BGCDRO CC[C@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000732184491 584934334 /nfs/dbraw/zinc/93/43/34/584934334.db2.gz UNESOKMMNMRWPS-NSHDSACASA-N 1 0 235.371 3.487 20 10 BGCDRO CC(C)([NH2+]Cc1ccccc1O)c1cccs1 ZINC000735085941 584972653 /nfs/dbraw/zinc/97/26/53/584972653.db2.gz JYTLEJMJMRIADQ-UHFFFAOYSA-N 1 0 247.363 3.479 20 10 BGCDRO CC[N@H+](Cc1cc2c(cc1O)CCC2)C1CCC1 ZINC000738056695 585040581 /nfs/dbraw/zinc/04/05/81/585040581.db2.gz YQALWLGNXLPOAN-UHFFFAOYSA-N 1 0 245.366 3.255 20 10 BGCDRO CC[N@H+](Cc1cc(C)c(C)cc1O)C1CCC1 ZINC000738058107 583424981 /nfs/dbraw/zinc/42/49/81/583424981.db2.gz TXDKVOODDQZQDH-UHFFFAOYSA-N 1 0 233.355 3.383 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)CC(C)(C)C)cc1C ZINC000738091172 583839809 /nfs/dbraw/zinc/83/98/09/583839809.db2.gz WJOSCQWUVDADAJ-UHFFFAOYSA-N 1 0 235.371 3.487 20 10 BGCDRO C[N@H+](Cc1cc2c(cc1O)CCC2)CC(C)(C)C ZINC000738097714 585040844 /nfs/dbraw/zinc/04/08/44/585040844.db2.gz DMIVJTOLHHKQQN-UHFFFAOYSA-N 1 0 247.382 3.359 20 10 BGCDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000740858226 585107753 /nfs/dbraw/zinc/10/77/53/585107753.db2.gz DGZHGGPWRMWKEB-NEPJUHHUSA-N 1 0 245.366 3.111 20 10 BGCDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(cc1O)CCC2 ZINC000740858228 585107403 /nfs/dbraw/zinc/10/74/03/585107403.db2.gz DGZHGGPWRMWKEB-NWDGAFQWSA-N 1 0 245.366 3.111 20 10 BGCDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000740858230 585107765 /nfs/dbraw/zinc/10/77/65/585107765.db2.gz DGZHGGPWRMWKEB-RYUDHWBXSA-N 1 0 245.366 3.111 20 10 BGCDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000740858232 585107559 /nfs/dbraw/zinc/10/75/59/585107559.db2.gz DGZHGGPWRMWKEB-VXGBXAGGSA-N 1 0 245.366 3.111 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)cc1C ZINC000740860312 585107451 /nfs/dbraw/zinc/10/74/51/585107451.db2.gz PHXHPMSTWLLKAL-GWCFXTLKSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2C)cc1C ZINC000740860313 585107419 /nfs/dbraw/zinc/10/74/19/585107419.db2.gz PHXHPMSTWLLKAL-GXFFZTMASA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@@H]2C)cc1C ZINC000740860314 585107465 /nfs/dbraw/zinc/10/74/65/585107465.db2.gz PHXHPMSTWLLKAL-MFKMUULPSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](C)C[C@H]2C)cc1C ZINC000740860315 585107551 /nfs/dbraw/zinc/10/75/51/585107551.db2.gz PHXHPMSTWLLKAL-ZWNOBZJWSA-N 1 0 233.355 3.239 20 10 BGCDRO CCCCCC[N@H+](C)Cc1ccccc1O ZINC000740878074 644563956 /nfs/dbraw/zinc/56/39/56/644563956.db2.gz UFYQGIRLGQSUTH-UHFFFAOYSA-N 1 0 221.344 3.404 20 10 BGCDRO CCN(C)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000741752898 585117487 /nfs/dbraw/zinc/11/74/87/585117487.db2.gz HPVBYSXRXSDCEU-UHFFFAOYSA-N 1 0 232.371 3.129 20 10 BGCDRO CCCC[N@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000741752969 585117456 /nfs/dbraw/zinc/11/74/56/585117456.db2.gz LLKGORVXXDNPLV-UHFFFAOYSA-N 1 0 234.387 3.375 20 10 BGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000741753405 585117469 /nfs/dbraw/zinc/11/74/69/585117469.db2.gz XNGIJADNNRHRHL-AWEZNQCLSA-N 1 0 246.398 3.375 20 10 BGCDRO CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000741753406 585117449 /nfs/dbraw/zinc/11/74/49/585117449.db2.gz XNGIJADNNRHRHL-CQSZACIVSA-N 1 0 246.398 3.375 20 10 BGCDRO CCN(C)c1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000741753450 585117668 /nfs/dbraw/zinc/11/76/68/585117668.db2.gz ZFSHRIKDUHMCOA-UHFFFAOYSA-N 1 0 246.398 3.375 20 10 BGCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000741754143 585117617 /nfs/dbraw/zinc/11/76/17/585117617.db2.gz JQXKPSURSOOPRC-CYBMUJFWSA-N 1 0 234.387 3.373 20 10 BGCDRO CC[C@H](C)[N@H+](C)Cc1ccc(N(C)CC)cc1 ZINC000741754144 585117674 /nfs/dbraw/zinc/11/76/74/585117674.db2.gz JQXKPSURSOOPRC-ZDUSSCGKSA-N 1 0 234.387 3.373 20 10 BGCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)C2CC2)cc1 ZINC000741754891 585117499 /nfs/dbraw/zinc/11/74/99/585117499.db2.gz ZXZKTQYBQRIOKQ-CYBMUJFWSA-N 1 0 246.398 3.373 20 10 BGCDRO CCN(C)c1ccc(C[N@H+](C)[C@@H](C)C2CC2)cc1 ZINC000741754892 585117520 /nfs/dbraw/zinc/11/75/20/585117520.db2.gz ZXZKTQYBQRIOKQ-ZDUSSCGKSA-N 1 0 246.398 3.373 20 10 BGCDRO Cc1occc1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000742367523 585125043 /nfs/dbraw/zinc/12/50/43/585125043.db2.gz BEKDCDZQUFNZFI-UHFFFAOYSA-N 1 0 245.322 3.200 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C2(C)CC2)cc1C ZINC000742368435 585125017 /nfs/dbraw/zinc/12/50/17/585125017.db2.gz AZFWZIWHGVPTCK-GFCCVEGCSA-N 1 0 233.355 3.287 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2(C)CCCC2)cc1C ZINC000742369900 585125148 /nfs/dbraw/zinc/12/51/48/585125148.db2.gz ZZMGKXBPYJKSDH-UHFFFAOYSA-N 1 0 233.355 3.431 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CC2(C)C)cc1C ZINC000742370660 585125000 /nfs/dbraw/zinc/12/50/00/585125000.db2.gz HGZKAHCLURMDIY-CYBMUJFWSA-N 1 0 233.355 3.145 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CC2(C)C)cc1C ZINC000742370661 585125180 /nfs/dbraw/zinc/12/51/80/585125180.db2.gz HGZKAHCLURMDIY-ZDUSSCGKSA-N 1 0 233.355 3.145 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CCCC2CC2)cc1C ZINC000742371815 585125190 /nfs/dbraw/zinc/12/51/90/585125190.db2.gz FIFUFEJJJFQNCV-UHFFFAOYSA-N 1 0 233.355 3.289 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+]C(C)(C)C2CC2)c1 ZINC000742372598 585125019 /nfs/dbraw/zinc/12/50/19/585125019.db2.gz GAOQBDSMHAJWCP-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)C2CC2)cc1C ZINC000742373991 585125168 /nfs/dbraw/zinc/12/51/68/585125168.db2.gz NIDVFLTXMHZXMI-UHFFFAOYSA-N 1 0 233.355 3.287 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000742378413 641163815 /nfs/dbraw/zinc/16/38/15/641163815.db2.gz HTVKJPBSTPXOTD-GZBFAFLISA-N 1 0 245.366 3.451 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000742378414 641163772 /nfs/dbraw/zinc/16/37/72/641163772.db2.gz HTVKJPBSTPXOTD-KCQAQPDRSA-N 1 0 245.366 3.451 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000742378415 641162576 /nfs/dbraw/zinc/16/25/76/641162576.db2.gz HTVKJPBSTPXOTD-UMVBOHGHSA-N 1 0 245.366 3.451 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000742378416 641163255 /nfs/dbraw/zinc/16/32/55/641163255.db2.gz HTVKJPBSTPXOTD-VNHYZAJKSA-N 1 0 245.366 3.451 20 10 BGCDRO Cc1cccc(F)c1C[NH2+]Cc1ccccc1O ZINC000742380775 585125599 /nfs/dbraw/zinc/12/55/99/585125599.db2.gz KTRCYFHDGALGAS-UHFFFAOYSA-N 1 0 245.297 3.130 20 10 BGCDRO CC1(C)CC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000743390792 585136593 /nfs/dbraw/zinc/13/65/93/585136593.db2.gz GYBZDNHNQGPNPS-UHFFFAOYSA-N 1 0 245.366 3.113 20 10 BGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)CC1CCC1 ZINC000743839814 585140131 /nfs/dbraw/zinc/14/01/31/585140131.db2.gz BDIVKCSYXVHTJZ-UHFFFAOYSA-N 1 0 246.398 3.375 20 10 BGCDRO CC[N@H+](CCC1CC1)Cc1ccc(N(C)C)cc1 ZINC000743840033 585140228 /nfs/dbraw/zinc/14/02/28/585140228.db2.gz RCKXBEGWSBSLJH-UHFFFAOYSA-N 1 0 246.398 3.375 20 10 BGCDRO CCOc1ccc(N(C)CC2CCC2)cc1 ZINC000743850819 585140955 /nfs/dbraw/zinc/14/09/55/585140955.db2.gz BJKUZSYFCJNXIH-UHFFFAOYSA-N 1 0 219.328 3.322 20 10 BGCDRO CCOc1ccc(N(C)CCC2CC2)cc1 ZINC000743850886 585140611 /nfs/dbraw/zinc/14/06/11/585140611.db2.gz FOMVRFHNUFGUHZ-UHFFFAOYSA-N 1 0 219.328 3.322 20 10 BGCDRO CCC[N@H+](CCC1CC1)Cc1ccccc1O ZINC000743870044 582860825 /nfs/dbraw/zinc/86/08/25/582860825.db2.gz FWJXQGKSWFZKPN-UHFFFAOYSA-N 1 0 233.355 3.404 20 10 BGCDRO CC(C)C[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000744152094 585144557 /nfs/dbraw/zinc/14/45/57/585144557.db2.gz XQLIWRIPYQXBJL-UHFFFAOYSA-N 1 0 244.338 3.028 20 10 BGCDRO CCN(CC(C)C)c1ccc(OC)cc1 ZINC000746107430 585163135 /nfs/dbraw/zinc/16/31/35/585163135.db2.gz GJSGZCCOAZFCIH-UHFFFAOYSA-N 1 0 207.317 3.178 20 10 BGCDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000746154466 585164187 /nfs/dbraw/zinc/16/41/87/585164187.db2.gz RBIGGSAZLNFMQY-CYBMUJFWSA-N 1 0 234.387 3.373 20 10 BGCDRO CC[C@H](C)[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000746154473 585163970 /nfs/dbraw/zinc/16/39/70/585163970.db2.gz RBIGGSAZLNFMQY-ZDUSSCGKSA-N 1 0 234.387 3.373 20 10 BGCDRO C[N@H+](CCC1CC1)Cc1cc2c(cc1O)CCC2 ZINC000746637107 585171305 /nfs/dbraw/zinc/17/13/05/585171305.db2.gz FUSPKYOXSXUHSM-UHFFFAOYSA-N 1 0 245.366 3.113 20 10 BGCDRO CCOc1ccc(C[NH2+]C2(CC)CCC2)c(O)c1 ZINC000748099445 585186927 /nfs/dbraw/zinc/18/69/27/585186927.db2.gz WLZBXEHIDRCKTH-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000749923836 585208306 /nfs/dbraw/zinc/20/83/06/585208306.db2.gz MAUKLQBBRFPROF-ATCWAGBWSA-N 1 0 245.366 3.146 20 10 BGCDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000749923838 585208155 /nfs/dbraw/zinc/20/81/55/585208155.db2.gz MAUKLQBBRFPROF-RYUDHWBXSA-N 1 0 245.366 3.146 20 10 BGCDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000749923840 585208172 /nfs/dbraw/zinc/20/81/72/585208172.db2.gz MAUKLQBBRFPROF-VXGBXAGGSA-N 1 0 245.366 3.146 20 10 BGCDRO C[C@@H]1CC[C@@H](C)C1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000749923857 585208165 /nfs/dbraw/zinc/20/81/65/585208165.db2.gz MESUDMTYRQXGBI-CHWSQXEVSA-N 1 0 246.398 3.277 20 10 BGCDRO C[C@H]1CC[C@H](C)C1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000749923859 585208356 /nfs/dbraw/zinc/20/83/56/585208356.db2.gz MESUDMTYRQXGBI-STQMWFEESA-N 1 0 246.398 3.277 20 10 BGCDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000749923861 585208229 /nfs/dbraw/zinc/20/82/29/585208229.db2.gz MESUDMTYRQXGBI-VIKVFOODSA-N 1 0 246.398 3.277 20 10 BGCDRO CCC[N@H+](CC)Cc1cc(C)c(C)cc1O ZINC000750601817 585217766 /nfs/dbraw/zinc/21/77/66/585217766.db2.gz GUEHUPCMMMFMPS-UHFFFAOYSA-N 1 0 221.344 3.241 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](C)C2)cc1C ZINC000751928269 585239213 /nfs/dbraw/zinc/23/92/13/585239213.db2.gz MIBMJNORFNLIBI-BETUJISGSA-N 1 0 233.355 3.097 20 10 BGCDRO Cc1cc(O)c(C[NH+]2C[C@@H](C)[C@H](C)C2)cc1C ZINC000751928287 585239292 /nfs/dbraw/zinc/23/92/92/585239292.db2.gz MIBMJNORFNLIBI-CHWSQXEVSA-N 1 0 233.355 3.097 20 10 BGCDRO Cc1cc(O)c(C[NH+]2C[C@H](C)[C@@H](C)C2)cc1C ZINC000751928289 585239521 /nfs/dbraw/zinc/23/95/21/585239521.db2.gz MIBMJNORFNLIBI-STQMWFEESA-N 1 0 233.355 3.097 20 10 BGCDRO Cc1cccc(C[N@H+](C)C[C@H]2CC=CCC2)c1O ZINC000753574140 585262376 /nfs/dbraw/zinc/26/23/76/585262376.db2.gz AGKBDPAIGIGUHR-AWEZNQCLSA-N 1 0 245.366 3.489 20 10 BGCDRO Cc1cccc(C[N@H+](C)C[C@@H]2CC=CCC2)c1O ZINC000753574177 585262274 /nfs/dbraw/zinc/26/22/74/585262274.db2.gz AGKBDPAIGIGUHR-CQSZACIVSA-N 1 0 245.366 3.489 20 10 BGCDRO Cc1ccc(O)c(C[N@H+](C)C[C@H]2CC=CCC2)c1 ZINC000753574352 585262281 /nfs/dbraw/zinc/26/22/81/585262281.db2.gz CVLUSYJINKDCMK-AWEZNQCLSA-N 1 0 245.366 3.489 20 10 BGCDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H]2CC=CCC2)c1 ZINC000753574353 585262203 /nfs/dbraw/zinc/26/22/03/585262203.db2.gz CVLUSYJINKDCMK-CQSZACIVSA-N 1 0 245.366 3.489 20 10 BGCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC(C)(C)C1 ZINC000753575506 585262246 /nfs/dbraw/zinc/26/22/46/585262246.db2.gz JXJYHXVSIMBJSI-GFCCVEGCSA-N 1 0 233.355 3.260 20 10 BGCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC(C)(C)C1 ZINC000753575508 641325463 /nfs/dbraw/zinc/32/54/63/641325463.db2.gz JXJYHXVSIMBJSI-LBPRGKRZSA-N 1 0 233.355 3.260 20 10 BGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CC=CCC1 ZINC000753576532 585262207 /nfs/dbraw/zinc/26/22/07/585262207.db2.gz NMMJLMUSFMXQPZ-GFCCVEGCSA-N 1 0 249.329 3.319 20 10 BGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CC=CCC1 ZINC000753576533 585262231 /nfs/dbraw/zinc/26/22/31/585262231.db2.gz NMMJLMUSFMXQPZ-LBPRGKRZSA-N 1 0 249.329 3.319 20 10 BGCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCC(C)(C)C1 ZINC000753966570 585273804 /nfs/dbraw/zinc/27/38/04/585273804.db2.gz ZHCKSJQJDJGGCH-CYBMUJFWSA-N 1 0 233.355 3.403 20 10 BGCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCC(C)(C)C1 ZINC000753966572 585274031 /nfs/dbraw/zinc/27/40/31/585274031.db2.gz ZHCKSJQJDJGGCH-ZDUSSCGKSA-N 1 0 233.355 3.403 20 10 BGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1C[C@@H]1C ZINC000754099881 585278174 /nfs/dbraw/zinc/27/81/74/585278174.db2.gz BUAGCYVBXFFURS-GXTWGEPZSA-N 1 0 233.355 3.260 20 10 BGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@@H]1C ZINC000754099883 585278449 /nfs/dbraw/zinc/27/84/49/585278449.db2.gz BUAGCYVBXFFURS-JSGCOSHPSA-N 1 0 233.355 3.260 20 10 BGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H]1C[C@H]1C ZINC000754099885 585278213 /nfs/dbraw/zinc/27/82/13/585278213.db2.gz BUAGCYVBXFFURS-OCCSQVGLSA-N 1 0 233.355 3.260 20 10 BGCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H]1C[C@H]1C ZINC000754099887 585278245 /nfs/dbraw/zinc/27/82/45/585278245.db2.gz BUAGCYVBXFFURS-TZMCWYRMSA-N 1 0 233.355 3.260 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(C)C ZINC000754121859 584913286 /nfs/dbraw/zinc/91/32/86/584913286.db2.gz LMILZGJOZXTSSO-UHFFFAOYSA-N 1 0 234.387 3.197 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)CC(C)C)c1 ZINC000754720825 585289819 /nfs/dbraw/zinc/28/98/19/585289819.db2.gz RMGGHHDVIZNJSU-UHFFFAOYSA-N 1 0 221.344 3.097 20 10 BGCDRO Cc1cc(C)c(O)c(C[NH+]2C3CCC2CC3)c1 ZINC000754723517 585290063 /nfs/dbraw/zinc/29/00/63/585290063.db2.gz OAQVKWMZGTXAKN-UHFFFAOYSA-N 1 0 231.339 3.136 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)CCC(C)C)c1 ZINC000754724178 585289832 /nfs/dbraw/zinc/28/98/32/585289832.db2.gz ZPONPUUQGSYHAW-UHFFFAOYSA-N 1 0 235.371 3.487 20 10 BGCDRO CC[N@@H+](Cc1cc(C)cc(C)c1O)CC(C)C ZINC000754725797 585289905 /nfs/dbraw/zinc/28/99/05/585289905.db2.gz FZBJEWDVNVQDTR-UHFFFAOYSA-N 1 0 235.371 3.487 20 10 BGCDRO CC[C@@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000754726059 585289944 /nfs/dbraw/zinc/28/99/44/585289944.db2.gz KXKJQPHLWGCLEI-LLVKDONJSA-N 1 0 235.371 3.487 20 10 BGCDRO CC[C@H](C)C[N@H+](C)Cc1cc(C)cc(C)c1O ZINC000754726061 585289877 /nfs/dbraw/zinc/28/98/77/585289877.db2.gz KXKJQPHLWGCLEI-NSHDSACASA-N 1 0 235.371 3.487 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCC[C@H]2C2CC2)c1 ZINC000754726166 585289842 /nfs/dbraw/zinc/28/98/42/585289842.db2.gz FJQRQLBJIMIPQB-HNNXBMFYSA-N 1 0 245.366 3.383 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000754726438 585289882 /nfs/dbraw/zinc/28/98/82/585289882.db2.gz IJAQOLQUMUKVDZ-AWEZNQCLSA-N 1 0 233.355 3.383 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(C)c1O ZINC000754726439 585289888 /nfs/dbraw/zinc/28/98/88/585289888.db2.gz IJAQOLQUMUKVDZ-CQSZACIVSA-N 1 0 233.355 3.383 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@H](C)C(C)C)c1 ZINC000754726553 585290045 /nfs/dbraw/zinc/29/00/45/585290045.db2.gz RDPLHPORJDEDCO-CYBMUJFWSA-N 1 0 235.371 3.485 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000754726569 585289834 /nfs/dbraw/zinc/28/98/34/585289834.db2.gz RDPLHPORJDEDCO-ZDUSSCGKSA-N 1 0 235.371 3.485 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000754727491 585290136 /nfs/dbraw/zinc/29/01/36/585290136.db2.gz YUJHVJJKFQCMDQ-CYBMUJFWSA-N 1 0 249.354 3.084 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1cc(C)cc(OC)c1O ZINC000754727492 585290250 /nfs/dbraw/zinc/29/02/50/585290250.db2.gz YUJHVJJKFQCMDQ-ZDUSSCGKSA-N 1 0 249.354 3.084 20 10 BGCDRO CCC[N@H+](CC)Cc1cc(C)cc(C)c1O ZINC000754729763 585290132 /nfs/dbraw/zinc/29/01/32/585290132.db2.gz FUTWTXLCHFTPGI-UHFFFAOYSA-N 1 0 221.344 3.241 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000754731441 585290311 /nfs/dbraw/zinc/29/03/11/585290311.db2.gz CJAOEACRILCPKE-UHFFFAOYSA-N 1 0 235.371 3.487 20 10 BGCDRO CC[N@H+](Cc1cc(C)cc(C)c1O)C1CCC1 ZINC000754732628 585290189 /nfs/dbraw/zinc/29/01/89/585290189.db2.gz RJQHXLLUYNMWHV-UHFFFAOYSA-N 1 0 233.355 3.383 20 10 BGCDRO CC[N@H+](Cc1cc(C)cc(OC)c1O)C1CCC1 ZINC000754732674 585290219 /nfs/dbraw/zinc/29/02/19/585290219.db2.gz UGEXTUQSZYKQAI-UHFFFAOYSA-N 1 0 249.354 3.084 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000754735795 585290286 /nfs/dbraw/zinc/29/02/86/585290286.db2.gz BTQFYWNVOAJAGH-BETUJISGSA-N 1 0 233.355 3.097 20 10 BGCDRO Cc1cc(C)c(O)c(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000754735797 585290146 /nfs/dbraw/zinc/29/01/46/585290146.db2.gz BTQFYWNVOAJAGH-CHWSQXEVSA-N 1 0 233.355 3.097 20 10 BGCDRO Cc1cc(C)c(O)c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000754735799 585290319 /nfs/dbraw/zinc/29/03/19/585290319.db2.gz BTQFYWNVOAJAGH-STQMWFEESA-N 1 0 233.355 3.097 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C(C)C)C2)c1 ZINC000754739111 585290209 /nfs/dbraw/zinc/29/02/09/585290209.db2.gz JYRPLYAIJHTIOL-AWEZNQCLSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C(C)C)C2)c1 ZINC000754739114 585290186 /nfs/dbraw/zinc/29/01/86/585290186.db2.gz JYRPLYAIJHTIOL-CQSZACIVSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)C[C@@H]2C)c1 ZINC000754741003 585290159 /nfs/dbraw/zinc/29/01/59/585290159.db2.gz KNLYMENLGAZSIM-AAEUAGOBSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)C[C@H]2C)c1 ZINC000754741004 585290182 /nfs/dbraw/zinc/29/01/82/585290182.db2.gz KNLYMENLGAZSIM-DGCLKSJQSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2C)c1 ZINC000754741005 585290240 /nfs/dbraw/zinc/29/02/40/585290240.db2.gz KNLYMENLGAZSIM-WCQYABFASA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2C[C@H](C)C[C@@H]2C)c1 ZINC000754741006 585290094 /nfs/dbraw/zinc/29/00/94/585290094.db2.gz KNLYMENLGAZSIM-YPMHNXCESA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC=C(C)CC2)c1 ZINC000755768661 585306283 /nfs/dbraw/zinc/30/62/83/585306283.db2.gz QOEOVJZCTMNXHC-UHFFFAOYSA-N 1 0 231.339 3.161 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC=C(C)CC2)cc1C ZINC000755771793 585306580 /nfs/dbraw/zinc/30/65/80/585306580.db2.gz ZHIWLXBRSNLEFM-UHFFFAOYSA-N 1 0 231.339 3.161 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C(C)C)C2)cc1C ZINC000755924592 585310664 /nfs/dbraw/zinc/31/06/64/585310664.db2.gz OKHWDZNZMGGQHZ-AWEZNQCLSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C(C)C)C2)cc1C ZINC000755924595 585310685 /nfs/dbraw/zinc/31/06/85/585310685.db2.gz OKHWDZNZMGGQHZ-CQSZACIVSA-N 1 0 247.382 3.487 20 10 BGCDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000756040336 585313549 /nfs/dbraw/zinc/31/35/49/585313549.db2.gz OSBWDQCETJIZSS-CYBMUJFWSA-N 1 0 234.387 3.231 20 10 BGCDRO CC[C@H](C)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000756040340 585313497 /nfs/dbraw/zinc/31/34/97/585313497.db2.gz OSBWDQCETJIZSS-ZDUSSCGKSA-N 1 0 234.387 3.231 20 10 BGCDRO Cc1cc(C[NH2+][C@H]2CCC[C@H]2C)ccc1N(C)C ZINC000756116681 585314748 /nfs/dbraw/zinc/31/47/48/585314748.db2.gz AGTFAQLGCSSJPN-DOMZBBRYSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(C[NH2+][C@@H]2CCC[C@H]2C)ccc1N(C)C ZINC000756116682 585314679 /nfs/dbraw/zinc/31/46/79/585314679.db2.gz AGTFAQLGCSSJPN-IUODEOHRSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)ccc1N(C)C ZINC000756116683 585314489 /nfs/dbraw/zinc/31/44/89/585314489.db2.gz AGTFAQLGCSSJPN-SWLSCSKDSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(C[NH2+][C@H]2CCC[C@@H]2C)ccc1N(C)C ZINC000756116685 585314521 /nfs/dbraw/zinc/31/45/21/585314521.db2.gz AGTFAQLGCSSJPN-WFASDCNBSA-N 1 0 246.398 3.339 20 10 BGCDRO CCOc1ccc(C[NH2+]CCC2CCC2)c(O)c1 ZINC000756135726 585314885 /nfs/dbraw/zinc/31/48/85/585314885.db2.gz DUTQUFVIBFVFFN-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756344383 585317899 /nfs/dbraw/zinc/31/78/99/585317899.db2.gz UGCKFOOVQYRGMQ-ATZCPNFKSA-N 1 0 237.318 3.468 20 10 BGCDRO CC[C@H](C)[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756344395 585318044 /nfs/dbraw/zinc/31/80/44/585318044.db2.gz UGCKFOOVQYRGMQ-QXEWZRGKSA-N 1 0 237.318 3.468 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756344397 585317902 /nfs/dbraw/zinc/31/79/02/585317902.db2.gz UGCKFOOVQYRGMQ-WCABBAIRSA-N 1 0 237.318 3.468 20 10 BGCDRO CC[C@H](C)[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756344399 585318020 /nfs/dbraw/zinc/31/80/20/585318020.db2.gz UGCKFOOVQYRGMQ-YWVKMMECSA-N 1 0 237.318 3.468 20 10 BGCDRO CCCC[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756345269 644625293 /nfs/dbraw/zinc/62/52/93/644625293.db2.gz WKIWZGKCWGOJGI-GXSJLCMTSA-N 1 0 237.318 3.469 20 10 BGCDRO CCCC[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756345271 644625681 /nfs/dbraw/zinc/62/56/81/644625681.db2.gz WKIWZGKCWGOJGI-KOLCDFICSA-N 1 0 237.318 3.469 20 10 BGCDRO CCCC[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756345273 644624950 /nfs/dbraw/zinc/62/49/50/644624950.db2.gz WKIWZGKCWGOJGI-MWLCHTKSSA-N 1 0 237.318 3.469 20 10 BGCDRO CCCC[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756345275 644625633 /nfs/dbraw/zinc/62/56/33/644625633.db2.gz WKIWZGKCWGOJGI-ONGXEEELSA-N 1 0 237.318 3.469 20 10 BGCDRO CC(C)C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756345889 644624711 /nfs/dbraw/zinc/62/47/11/644624711.db2.gz ZOBGWUXSOUPULN-GXSJLCMTSA-N 1 0 237.318 3.325 20 10 BGCDRO CC(C)C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756345890 644624785 /nfs/dbraw/zinc/62/47/85/644624785.db2.gz ZOBGWUXSOUPULN-KOLCDFICSA-N 1 0 237.318 3.325 20 10 BGCDRO CC(C)C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756345893 644625261 /nfs/dbraw/zinc/62/52/61/644625261.db2.gz ZOBGWUXSOUPULN-MWLCHTKSSA-N 1 0 237.318 3.325 20 10 BGCDRO CC(C)C[NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000756345896 644625517 /nfs/dbraw/zinc/62/55/17/644625517.db2.gz ZOBGWUXSOUPULN-ONGXEEELSA-N 1 0 237.318 3.325 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756361666 585318202 /nfs/dbraw/zinc/31/82/02/585318202.db2.gz HHJFJRMUMCXSGF-KBVBSXBZSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756361670 585318315 /nfs/dbraw/zinc/31/83/15/585318315.db2.gz HHJFJRMUMCXSGF-LNLATYFQSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@H]([NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756361674 585318360 /nfs/dbraw/zinc/31/83/60/585318360.db2.gz HHJFJRMUMCXSGF-PTRXPTGYSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000756361677 585318219 /nfs/dbraw/zinc/31/82/19/585318219.db2.gz HHJFJRMUMCXSGF-VDDIYKPWSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@H]1C[C@@H]([NH2+]CC2CC2)c2c1c(F)ccc2O ZINC000756394724 585319099 /nfs/dbraw/zinc/31/90/99/585319099.db2.gz ZROKZLPXQYKJQG-GZMMTYOYSA-N 1 0 235.302 3.079 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+]CC2CC2)c2c1c(F)ccc2O ZINC000756394727 585319072 /nfs/dbraw/zinc/31/90/72/585319072.db2.gz ZROKZLPXQYKJQG-KCJUWKMLSA-N 1 0 235.302 3.079 20 10 BGCDRO C[C@H]1C[C@H]([NH2+]CC2CC2)c2c1c(F)ccc2O ZINC000756394729 585319017 /nfs/dbraw/zinc/31/90/17/585319017.db2.gz ZROKZLPXQYKJQG-KWQFWETISA-N 1 0 235.302 3.079 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+]CC2CC2)c2c1c(F)ccc2O ZINC000756394731 585319139 /nfs/dbraw/zinc/31/91/39/585319139.db2.gz ZROKZLPXQYKJQG-LDYMZIIASA-N 1 0 235.302 3.079 20 10 BGCDRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756466952 585320094 /nfs/dbraw/zinc/32/00/94/585320094.db2.gz RPPZFIUIWDHCAR-BFLSOPEQSA-N 1 0 249.329 3.325 20 10 BGCDRO C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756466953 585320028 /nfs/dbraw/zinc/32/00/28/585320028.db2.gz RPPZFIUIWDHCAR-SVDPJWKOSA-N 1 0 249.329 3.325 20 10 BGCDRO C[C@H]1C[C@H]1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756466954 585319987 /nfs/dbraw/zinc/31/99/87/585319987.db2.gz RPPZFIUIWDHCAR-WYFGTUCQSA-N 1 0 249.329 3.325 20 10 BGCDRO C[C@H]1C[C@@H]1C[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000756466955 585319891 /nfs/dbraw/zinc/31/98/91/585319891.db2.gz RPPZFIUIWDHCAR-XNDJQWLSSA-N 1 0 249.329 3.325 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC2CCC2)c(O)c1C ZINC000756473344 585319918 /nfs/dbraw/zinc/31/99/18/585319918.db2.gz BDUCDVHVFRKKKB-GFCCVEGCSA-N 1 0 233.355 3.460 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC2CCC2)c(O)c1C ZINC000756473345 585319985 /nfs/dbraw/zinc/31/99/85/585319985.db2.gz BDUCDVHVFRKKKB-LBPRGKRZSA-N 1 0 233.355 3.460 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+]CC2CCC2)c2c1c(F)ccc2O ZINC000756476351 585319923 /nfs/dbraw/zinc/31/99/23/585319923.db2.gz SZUUOPIGIVMPQY-BXKDBHETSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@H]1C[C@H]([NH2+]CC2CCC2)c2c1c(F)ccc2O ZINC000756476352 585319972 /nfs/dbraw/zinc/31/99/72/585319972.db2.gz SZUUOPIGIVMPQY-CABZTGNLSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@H]1C[C@@H]([NH2+]CC2CCC2)c2c1c(F)ccc2O ZINC000756476353 585319915 /nfs/dbraw/zinc/31/99/15/585319915.db2.gz SZUUOPIGIVMPQY-JOYOIKCWSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+]CC2CCC2)c2c1c(F)ccc2O ZINC000756476354 585319983 /nfs/dbraw/zinc/31/99/83/585319983.db2.gz SZUUOPIGIVMPQY-SKDRFNHKSA-N 1 0 249.329 3.469 20 10 BGCDRO Cc1occc1C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000756481047 585320274 /nfs/dbraw/zinc/32/02/74/585320274.db2.gz AHATWEFHVRKZGP-LLVKDONJSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1occc1C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000756481049 585320166 /nfs/dbraw/zinc/32/01/66/585320166.db2.gz AHATWEFHVRKZGP-NSHDSACASA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1occc1C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000756482781 585320135 /nfs/dbraw/zinc/32/01/35/585320135.db2.gz LNDQQHZEBDLVGT-SECBINFHSA-N 1 0 249.285 3.284 20 10 BGCDRO Cc1occc1C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000756482782 585320168 /nfs/dbraw/zinc/32/01/68/585320168.db2.gz LNDQQHZEBDLVGT-VIFPVBQESA-N 1 0 249.285 3.284 20 10 BGCDRO Cc1occc1C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000756483124 585320225 /nfs/dbraw/zinc/32/02/25/585320225.db2.gz NJOIZCQPBZEUDD-LLVKDONJSA-N 1 0 245.322 3.453 20 10 BGCDRO Cc1occc1C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000756483125 585320253 /nfs/dbraw/zinc/32/02/53/585320253.db2.gz NJOIZCQPBZEUDD-NSHDSACASA-N 1 0 245.322 3.453 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+]C2CC=CC2)c2c1c(F)ccc2O ZINC000756645263 585322078 /nfs/dbraw/zinc/32/20/78/585322078.db2.gz FIGCABICIQLKHH-BXKDBHETSA-N 1 0 247.313 3.388 20 10 BGCDRO C[C@H]1C[C@H]([NH2+]C2CC=CC2)c2c1c(F)ccc2O ZINC000756645269 585322071 /nfs/dbraw/zinc/32/20/71/585322071.db2.gz FIGCABICIQLKHH-CABZTGNLSA-N 1 0 247.313 3.388 20 10 BGCDRO C[C@H]1C[C@@H]([NH2+]C2CC=CC2)c2c1c(F)ccc2O ZINC000756645274 585322091 /nfs/dbraw/zinc/32/20/91/585322091.db2.gz FIGCABICIQLKHH-JOYOIKCWSA-N 1 0 247.313 3.388 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+]C2CC=CC2)c2c1c(F)ccc2O ZINC000756645276 585322089 /nfs/dbraw/zinc/32/20/89/585322089.db2.gz FIGCABICIQLKHH-SKDRFNHKSA-N 1 0 247.313 3.388 20 10 BGCDRO C[C@@H]([NH2+]C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000756703410 585322362 /nfs/dbraw/zinc/32/23/62/585322362.db2.gz AQLPOXMTGAQDEQ-LLVKDONJSA-N 1 0 245.366 3.474 20 10 BGCDRO C[C@H]([NH2+]C1CCC1)c1cc2c(cc1O)CCCC2 ZINC000756703411 585322499 /nfs/dbraw/zinc/32/24/99/585322499.db2.gz AQLPOXMTGAQDEQ-NSHDSACASA-N 1 0 245.366 3.474 20 10 BGCDRO C[C@H]1C[C@@H]([NH2+]C2CCC2)c2c1c(F)ccc2O ZINC000756708517 585322524 /nfs/dbraw/zinc/32/25/24/585322524.db2.gz TXRQIQNBUNZAIL-GZMMTYOYSA-N 1 0 235.302 3.222 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+]C2CCC2)c2c1c(F)ccc2O ZINC000756708521 585322374 /nfs/dbraw/zinc/32/23/74/585322374.db2.gz TXRQIQNBUNZAIL-KCJUWKMLSA-N 1 0 235.302 3.222 20 10 BGCDRO C[C@H]1C[C@H]([NH2+]C2CCC2)c2c1c(F)ccc2O ZINC000756708525 585322479 /nfs/dbraw/zinc/32/24/79/585322479.db2.gz TXRQIQNBUNZAIL-KWQFWETISA-N 1 0 235.302 3.222 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+]C2CCC2)c2c1c(F)ccc2O ZINC000756708530 585322465 /nfs/dbraw/zinc/32/24/65/585322465.db2.gz TXRQIQNBUNZAIL-LDYMZIIASA-N 1 0 235.302 3.222 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+]CCC2CC2)c2c1c(F)ccc2O ZINC000756730642 712407328 /nfs/dbraw/zinc/40/73/28/712407328.db2.gz BJIGAUNHOCPZRD-BXKDBHETSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@H]1C[C@H]([NH2+]CCC2CC2)c2c1c(F)ccc2O ZINC000756730696 712407271 /nfs/dbraw/zinc/40/72/71/712407271.db2.gz BJIGAUNHOCPZRD-CABZTGNLSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@H]1C[C@@H]([NH2+]CCC2CC2)c2c1c(F)ccc2O ZINC000756730731 712407267 /nfs/dbraw/zinc/40/72/67/712407267.db2.gz BJIGAUNHOCPZRD-JOYOIKCWSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+]CCC2CC2)c2c1c(F)ccc2O ZINC000756730733 712407182 /nfs/dbraw/zinc/40/71/82/712407182.db2.gz BJIGAUNHOCPZRD-SKDRFNHKSA-N 1 0 249.329 3.469 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCC2CC2)c(O)c1C ZINC000756734165 712407306 /nfs/dbraw/zinc/40/73/06/712407306.db2.gz VEMAIVFHPFNDCC-GFCCVEGCSA-N 1 0 233.355 3.460 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCC2CC2)c(O)c1C ZINC000756734166 712407308 /nfs/dbraw/zinc/40/73/08/712407308.db2.gz VEMAIVFHPFNDCC-LBPRGKRZSA-N 1 0 233.355 3.460 20 10 BGCDRO CC1CC([NH2+][C@@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756735653 644629873 /nfs/dbraw/zinc/62/98/73/644629873.db2.gz GLVRTYOKRTXTJI-LCLYSXEGSA-N 1 0 249.329 3.468 20 10 BGCDRO CC1CC([NH2+][C@H]2C[C@@H](C)c3c2c(O)ccc3F)C1 ZINC000756735655 644629488 /nfs/dbraw/zinc/62/94/88/644629488.db2.gz GLVRTYOKRTXTJI-MAGXCGIYSA-N 1 0 249.329 3.468 20 10 BGCDRO CC1CC([NH2+][C@@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756735657 644629658 /nfs/dbraw/zinc/62/96/58/644629658.db2.gz GLVRTYOKRTXTJI-RVOVVPELSA-N 1 0 249.329 3.468 20 10 BGCDRO CC1CC([NH2+][C@H]2C[C@H](C)c3c2c(O)ccc3F)C1 ZINC000756735659 644629887 /nfs/dbraw/zinc/62/98/87/644629887.db2.gz GLVRTYOKRTXTJI-WPAICRMJSA-N 1 0 249.329 3.468 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CC2)c(O)c1C ZINC000756737415 644629904 /nfs/dbraw/zinc/62/99/04/644629904.db2.gz URDKEZOKKIXJSP-GFCCVEGCSA-N 1 0 233.355 3.460 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC2(C)CC2)c(O)c1C ZINC000756737418 644629825 /nfs/dbraw/zinc/62/98/25/644629825.db2.gz URDKEZOKKIXJSP-LBPRGKRZSA-N 1 0 233.355 3.460 20 10 BGCDRO C[C@H]1C[C@@H]([NH2+]CC2(C)CC2)c2c1c(F)ccc2O ZINC000756737918 644629526 /nfs/dbraw/zinc/62/95/26/644629526.db2.gz ZFPLCBDOKBVRAD-GXSJLCMTSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+]CC2(C)CC2)c2c1c(F)ccc2O ZINC000756737923 644629386 /nfs/dbraw/zinc/62/93/86/644629386.db2.gz ZFPLCBDOKBVRAD-KOLCDFICSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+]CC2(C)CC2)c2c1c(F)ccc2O ZINC000756737926 644629917 /nfs/dbraw/zinc/62/99/17/644629917.db2.gz ZFPLCBDOKBVRAD-MWLCHTKSSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@H]1C[C@H]([NH2+]CC2(C)CC2)c2c1c(F)ccc2O ZINC000756737930 644629279 /nfs/dbraw/zinc/62/92/79/644629279.db2.gz ZFPLCBDOKBVRAD-ONGXEEELSA-N 1 0 249.329 3.469 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+]CCCF)c2c1c(F)ccc2O ZINC000756764785 585322879 /nfs/dbraw/zinc/32/28/79/585322879.db2.gz KOXULBADOMBRNG-PSASIEDQSA-N 1 0 241.281 3.029 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+]CCCF)c2c1c(F)ccc2O ZINC000756764789 585323066 /nfs/dbraw/zinc/32/30/66/585323066.db2.gz KOXULBADOMBRNG-SCZZXKLOSA-N 1 0 241.281 3.029 20 10 BGCDRO C[C@H]1C[C@@H]([NH2+]CCCF)c2c1c(F)ccc2O ZINC000756764794 585323006 /nfs/dbraw/zinc/32/30/06/585323006.db2.gz KOXULBADOMBRNG-WCBMZHEXSA-N 1 0 241.281 3.029 20 10 BGCDRO C[C@H]1C[C@H]([NH2+]CCCF)c2c1c(F)ccc2O ZINC000756764798 585322765 /nfs/dbraw/zinc/32/27/65/585322765.db2.gz KOXULBADOMBRNG-WPRPVWTQSA-N 1 0 241.281 3.029 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c(O)c1 ZINC000756784322 585323088 /nfs/dbraw/zinc/32/30/88/585323088.db2.gz MLDKIVPFILWSRG-NEPJUHHUSA-N 1 0 244.338 3.441 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)c(O)c1 ZINC000756784323 585323099 /nfs/dbraw/zinc/32/30/99/585323099.db2.gz MLDKIVPFILWSRG-NWDGAFQWSA-N 1 0 244.338 3.441 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c(O)c1 ZINC000756784325 585323285 /nfs/dbraw/zinc/32/32/85/585323285.db2.gz MLDKIVPFILWSRG-RYUDHWBXSA-N 1 0 244.338 3.441 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)c(O)c1 ZINC000756784334 585323176 /nfs/dbraw/zinc/32/31/76/585323176.db2.gz MLDKIVPFILWSRG-VXGBXAGGSA-N 1 0 244.338 3.441 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000756785096 585323295 /nfs/dbraw/zinc/32/32/95/585323295.db2.gz SARHYJFMVSQZHT-NEPJUHHUSA-N 1 0 244.338 3.441 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000756785099 585323301 /nfs/dbraw/zinc/32/33/01/585323301.db2.gz SARHYJFMVSQZHT-NWDGAFQWSA-N 1 0 244.338 3.441 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)c1 ZINC000756785101 585323102 /nfs/dbraw/zinc/32/31/02/585323102.db2.gz SARHYJFMVSQZHT-RYUDHWBXSA-N 1 0 244.338 3.441 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)c1 ZINC000756785104 585323238 /nfs/dbraw/zinc/32/32/38/585323238.db2.gz SARHYJFMVSQZHT-VXGBXAGGSA-N 1 0 244.338 3.441 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)c1cc(F)ccc1O)c1ccc[nH]1 ZINC000756786075 585323084 /nfs/dbraw/zinc/32/30/84/585323084.db2.gz XIEGDISKFPQUBN-NXEZZACHSA-N 1 0 248.301 3.271 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc[nH]1 ZINC000756786076 585028566 /nfs/dbraw/zinc/02/85/66/585028566.db2.gz XIEGDISKFPQUBN-UWVGGRQHSA-N 1 0 248.301 3.271 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1O)c1ccc[nH]1 ZINC000756786079 585028583 /nfs/dbraw/zinc/02/85/83/585028583.db2.gz XIEGDISKFPQUBN-VHSXEESVSA-N 1 0 248.301 3.271 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cc(F)ccc1O ZINC000756786084 585028563 /nfs/dbraw/zinc/02/85/63/585028563.db2.gz XIEGDISKFPQUBN-ZJUUUORDSA-N 1 0 248.301 3.271 20 10 BGCDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1cc(F)ccc1O ZINC000756839398 585324235 /nfs/dbraw/zinc/32/42/35/585324235.db2.gz RFCINBATMXDUJS-SECBINFHSA-N 1 0 235.302 3.125 20 10 BGCDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1cc(F)ccc1O ZINC000756839399 585324089 /nfs/dbraw/zinc/32/40/89/585324089.db2.gz RFCINBATMXDUJS-VIFPVBQESA-N 1 0 235.302 3.125 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)c(O)c1 ZINC000756839815 585324245 /nfs/dbraw/zinc/32/42/45/585324245.db2.gz UCOIWURVRNTNDQ-LLVKDONJSA-N 1 0 231.339 3.294 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)c(O)c1 ZINC000756840028 585324130 /nfs/dbraw/zinc/32/41/30/585324130.db2.gz UCOIWURVRNTNDQ-NSHDSACASA-N 1 0 231.339 3.294 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000756840547 585324208 /nfs/dbraw/zinc/32/42/08/585324208.db2.gz WPJNHXQOKGXFCZ-LLVKDONJSA-N 1 0 231.339 3.294 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]C2(C3CC3)CC2)c1 ZINC000756840548 585324256 /nfs/dbraw/zinc/32/42/56/585324256.db2.gz WPJNHXQOKGXFCZ-NSHDSACASA-N 1 0 231.339 3.294 20 10 BGCDRO Oc1ccccc1C[NH2+]CC12CCC(CC1)C2 ZINC000756988742 585326236 /nfs/dbraw/zinc/32/62/36/585326236.db2.gz CLDUFKOPUGFKKL-UHFFFAOYSA-N 1 0 231.339 3.062 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CC23CCC(CC2)C3)c1 ZINC000756988863 585326291 /nfs/dbraw/zinc/32/62/91/585326291.db2.gz DSQJWRLSNHMEFX-UHFFFAOYSA-N 1 0 245.366 3.371 20 10 BGCDRO CC(C)=CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000758341544 585353926 /nfs/dbraw/zinc/35/39/26/585353926.db2.gz JSYLEYVZWJVLBD-UHFFFAOYSA-N 1 0 232.371 3.117 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC23CCCC3)cc1C ZINC000758525550 585356650 /nfs/dbraw/zinc/35/66/50/585356650.db2.gz MJUGMMDPIWPAAG-HNNXBMFYSA-N 1 0 245.366 3.431 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC23CCCC3)cc1C ZINC000758525553 585356634 /nfs/dbraw/zinc/35/66/34/585356634.db2.gz MJUGMMDPIWPAAG-OAHLLOKOSA-N 1 0 245.366 3.431 20 10 BGCDRO Oc1ccccc1C[N@H+](CCF)C1CCCC1 ZINC000759343208 585369756 /nfs/dbraw/zinc/36/97/56/585369756.db2.gz RUUXEXMDRPFMIV-UHFFFAOYSA-N 1 0 237.318 3.106 20 10 BGCDRO CCN(CC)c1ccc(C[N@H+](C)C(C)C)cc1 ZINC000759645337 585377840 /nfs/dbraw/zinc/37/78/40/585377840.db2.gz YXICLGVGJXASQE-UHFFFAOYSA-N 1 0 234.387 3.373 20 10 BGCDRO CC(C)Oc1ccc(N(C)CC2CC2)cc1 ZINC000759914124 585382638 /nfs/dbraw/zinc/38/26/38/585382638.db2.gz IEOBOZQVEDLENJ-UHFFFAOYSA-N 1 0 219.328 3.320 20 10 BGCDRO CCCN(C)c1ccc(OC(C)C)cc1 ZINC000759932283 585382744 /nfs/dbraw/zinc/38/27/44/585382744.db2.gz AMTWXQXBSBKLAA-UHFFFAOYSA-N 1 0 207.317 3.320 20 10 BGCDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1O ZINC000760647688 585394964 /nfs/dbraw/zinc/39/49/64/585394964.db2.gz ATFLGRMTFYHERY-JTQLQIEISA-N 1 0 247.260 3.213 20 10 BGCDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1O ZINC000760647690 585395200 /nfs/dbraw/zinc/39/52/00/585395200.db2.gz ATFLGRMTFYHERY-SNVBAGLBSA-N 1 0 247.260 3.213 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2(C3CC3)CC2)cc1C ZINC000760711728 585395979 /nfs/dbraw/zinc/39/59/79/585395979.db2.gz ZBTOVGFOKQVRBO-UHFFFAOYSA-N 1 0 231.339 3.041 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CC1(C)C ZINC000761225889 585412596 /nfs/dbraw/zinc/41/25/96/585412596.db2.gz MHUHDZXAWFEFIO-GFCCVEGCSA-N 1 0 233.355 3.260 20 10 BGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CC1(C)C ZINC000761225891 585412542 /nfs/dbraw/zinc/41/25/42/585412542.db2.gz MHUHDZXAWFEFIO-LBPRGKRZSA-N 1 0 233.355 3.260 20 10 BGCDRO CC[N@H+](CCC1CC1)Cc1cc(OC)ccc1O ZINC000761225941 585412427 /nfs/dbraw/zinc/41/24/27/585412427.db2.gz JYBKWZSFJLGVJZ-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[N@H+](CCC1CC1)Cc1cccc(OC)c1O ZINC000761225951 585412515 /nfs/dbraw/zinc/41/25/15/585412515.db2.gz KDLCTACAUDJUPN-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[N@H+](CCC1CC1)Cc1cc(F)ccc1O ZINC000761225993 585412601 /nfs/dbraw/zinc/41/26/01/585412601.db2.gz LRNNOVRQTFSAAJ-UHFFFAOYSA-N 1 0 237.318 3.153 20 10 BGCDRO CC[N@H+](CCC1CC1)Cc1ccccc1O ZINC000761226252 585412301 /nfs/dbraw/zinc/41/23/01/585412301.db2.gz MYAMFKGNTQSHQR-UHFFFAOYSA-N 1 0 219.328 3.014 20 10 BGCDRO CC[N@H+](CCC1CC1)Cc1cccc(C)c1O ZINC000761226262 585412569 /nfs/dbraw/zinc/41/25/69/585412569.db2.gz NLARLOVVGXBIGH-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[N@H+](CCC1CC1)Cc1cc(C)ccc1O ZINC000761226316 585412296 /nfs/dbraw/zinc/41/22/96/585412296.db2.gz OMCGYLHNQLUFOQ-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[N@H+](CCC1CC1)Cc1c(O)cccc1OC ZINC000761226372 585412469 /nfs/dbraw/zinc/41/24/69/585412469.db2.gz QFTUYXDAEPWXAX-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000761435074 585415650 /nfs/dbraw/zinc/41/56/50/585415650.db2.gz NNFBSVMQYLINHS-SECBINFHSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ncc([C@H](C)[NH2+]Cc2ccccc2O)s1 ZINC000761435075 585415562 /nfs/dbraw/zinc/41/55/62/585415562.db2.gz NNFBSVMQYLINHS-VIFPVBQESA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000763331440 585446609 /nfs/dbraw/zinc/44/66/09/585446609.db2.gz GSFRSDPUBPLPML-AWEZNQCLSA-N 1 0 245.366 3.241 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000763331449 585446667 /nfs/dbraw/zinc/44/66/67/585446667.db2.gz GSFRSDPUBPLPML-CQSZACIVSA-N 1 0 245.366 3.241 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C3CC3)C2)cc1C ZINC000763332301 585446574 /nfs/dbraw/zinc/44/65/74/585446574.db2.gz MCPBFBMMMLRAJM-AWEZNQCLSA-N 1 0 245.366 3.241 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1C ZINC000763332303 585446753 /nfs/dbraw/zinc/44/67/53/585446753.db2.gz MCPBFBMMMLRAJM-CQSZACIVSA-N 1 0 245.366 3.241 20 10 BGCDRO CCN(CC)c1ccc(C[N@H+](C)CC2CC2)cc1 ZINC000763395999 585447554 /nfs/dbraw/zinc/44/75/54/585447554.db2.gz NCRJHNYIORFIQM-UHFFFAOYSA-N 1 0 246.398 3.375 20 10 BGCDRO CN(C)c1ccc(C[N@H+](CC2CC2)C2CC2)cc1 ZINC000763396213 585447586 /nfs/dbraw/zinc/44/75/86/585447586.db2.gz CQMORTUTNCHVGW-UHFFFAOYSA-N 1 0 244.382 3.127 20 10 BGCDRO CC(C)[N@@H+](Cc1ccc(N(C)C)cc1)CC1CC1 ZINC000763396766 585447589 /nfs/dbraw/zinc/44/75/89/585447589.db2.gz FMALQGADJSORKH-UHFFFAOYSA-N 1 0 246.398 3.373 20 10 BGCDRO CCOc1ccc(N(CC)CC2CC2)cc1 ZINC000763518584 585449070 /nfs/dbraw/zinc/44/90/70/585449070.db2.gz ZIPZBNVBZVECRJ-UHFFFAOYSA-N 1 0 219.328 3.322 20 10 BGCDRO Cc1cccc(C[N@H+]2CC3(CCC3)C[C@H]2C)c1O ZINC000763644864 585451513 /nfs/dbraw/zinc/45/15/13/585451513.db2.gz AQDMTUZFGLRZOL-CYBMUJFWSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1cccc(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1O ZINC000763644872 585451517 /nfs/dbraw/zinc/45/15/17/585451517.db2.gz AQDMTUZFGLRZOL-ZDUSSCGKSA-N 1 0 245.366 3.465 20 10 BGCDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cc(F)ccc1O ZINC000763648892 585451781 /nfs/dbraw/zinc/45/17/81/585451781.db2.gz TWCYVAJICIWBSU-LLVKDONJSA-N 1 0 249.329 3.296 20 10 BGCDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cc(F)ccc1O ZINC000763648893 585451826 /nfs/dbraw/zinc/45/18/26/585451826.db2.gz TWCYVAJICIWBSU-NSHDSACASA-N 1 0 249.329 3.296 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)C[C@H]2C)c1 ZINC000763649983 585451758 /nfs/dbraw/zinc/45/17/58/585451758.db2.gz WPUXLVJHXQGGCU-CYBMUJFWSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CC3(CCC3)C[C@@H]2C)c1 ZINC000763649984 585451609 /nfs/dbraw/zinc/45/16/09/585451609.db2.gz WPUXLVJHXQGGCU-ZDUSSCGKSA-N 1 0 245.366 3.465 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000765338124 585484021 /nfs/dbraw/zinc/48/40/21/585484021.db2.gz VLQZKLZFJPZFGO-BJJXKVORSA-N 1 0 246.398 3.449 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000765338125 585484071 /nfs/dbraw/zinc/48/40/71/585484071.db2.gz VLQZKLZFJPZFGO-INWMFGNUSA-N 1 0 246.398 3.449 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(N(C)C)cc1 ZINC000765338126 585484085 /nfs/dbraw/zinc/48/40/85/585484085.db2.gz VLQZKLZFJPZFGO-NOLJZWGESA-N 1 0 246.398 3.449 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(N(C)C)cc1 ZINC000765338127 585484116 /nfs/dbraw/zinc/48/41/16/585484116.db2.gz VLQZKLZFJPZFGO-XPKDYRNWSA-N 1 0 246.398 3.449 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1 ZINC000765338326 585483936 /nfs/dbraw/zinc/48/39/36/585483936.db2.gz YIGKBZDBQAXEGI-IPYPFGDCSA-N 1 0 246.398 3.449 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1 ZINC000765338327 585484099 /nfs/dbraw/zinc/48/40/99/585484099.db2.gz YIGKBZDBQAXEGI-KCQAQPDRSA-N 1 0 246.398 3.449 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1 ZINC000765338329 585483923 /nfs/dbraw/zinc/48/39/23/585483923.db2.gz YIGKBZDBQAXEGI-VNHYZAJKSA-N 1 0 246.398 3.449 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1 ZINC000765338330 585483965 /nfs/dbraw/zinc/48/39/65/585483965.db2.gz YIGKBZDBQAXEGI-YDHLFZDLSA-N 1 0 246.398 3.449 20 10 BGCDRO CCC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766027936 585496504 /nfs/dbraw/zinc/49/65/04/585496504.db2.gz BJAQEXHVKUIJGL-CYBMUJFWSA-N 1 0 234.387 3.339 20 10 BGCDRO CCC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000766027937 585496569 /nfs/dbraw/zinc/49/65/69/585496569.db2.gz BJAQEXHVKUIJGL-ZDUSSCGKSA-N 1 0 234.387 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)C1CCC1 ZINC000766030015 585496598 /nfs/dbraw/zinc/49/65/98/585496598.db2.gz SHWZQHCNVISNLA-CYBMUJFWSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)C1CCC1 ZINC000766030016 585496464 /nfs/dbraw/zinc/49/64/64/585496464.db2.gz SHWZQHCNVISNLA-ZDUSSCGKSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(C)CCC1 ZINC000766213564 585498952 /nfs/dbraw/zinc/49/89/52/585498952.db2.gz GVTHGTISMMHXMH-UHFFFAOYSA-N 1 0 246.398 3.341 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@H](C)C2)cc1C ZINC000766379161 585501371 /nfs/dbraw/zinc/50/13/71/585501371.db2.gz AVCLFPRBCAMTOS-BXUZGUMPSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@@H](C)C2)cc1C ZINC000766379162 585501468 /nfs/dbraw/zinc/50/14/68/585501468.db2.gz AVCLFPRBCAMTOS-FZMZJTMJSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)cc1C ZINC000766379163 585501503 /nfs/dbraw/zinc/50/15/03/585501503.db2.gz AVCLFPRBCAMTOS-RISCZKNCSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)[C@H](C)C2)cc1C ZINC000766379164 585501548 /nfs/dbraw/zinc/50/15/48/585501548.db2.gz AVCLFPRBCAMTOS-SMDDNHRTSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C)[C@H](C)C2)c1 ZINC000766381334 585501604 /nfs/dbraw/zinc/50/16/04/585501604.db2.gz NAFVWDRNPITZCL-GXTWGEPZSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@H](C)[C@@H](C)C2)c1 ZINC000766381337 585501590 /nfs/dbraw/zinc/50/15/90/585501590.db2.gz NAFVWDRNPITZCL-JSGCOSHPSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000766381339 585501572 /nfs/dbraw/zinc/50/15/72/585501572.db2.gz NAFVWDRNPITZCL-OCCSQVGLSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CC[C@@H](C)[C@H](C)C2)c1 ZINC000766381341 585501501 /nfs/dbraw/zinc/50/15/01/585501501.db2.gz NAFVWDRNPITZCL-TZMCWYRMSA-N 1 0 247.382 3.487 20 10 BGCDRO CCOc1ccc(C[NH+]2CCCCCC2)c(O)c1 ZINC000768137491 585532965 /nfs/dbraw/zinc/53/29/65/585532965.db2.gz CKPPZSYLZSAAQW-UHFFFAOYSA-N 1 0 249.354 3.167 20 10 BGCDRO CCC[NH+](CCC)Cc1c(O)cccc1OC ZINC000768138554 585532873 /nfs/dbraw/zinc/53/28/73/585532873.db2.gz ZBXYBICUFOGTMK-UHFFFAOYSA-N 1 0 237.343 3.023 20 10 BGCDRO CCN(CC)c1ccc(C[NH+](CC)CC)cc1 ZINC000768138750 585532985 /nfs/dbraw/zinc/53/29/85/585532985.db2.gz SRTWNKAFTBCULD-UHFFFAOYSA-N 1 0 234.387 3.375 20 10 BGCDRO CCCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768142774 585533338 /nfs/dbraw/zinc/53/33/38/585533338.db2.gz PLYYOXRCOACWSI-UHFFFAOYSA-N 1 0 238.350 3.124 20 10 BGCDRO CCOc1ccc(C[NH+]2CCC(C)CC2)c(O)c1 ZINC000768143830 585533228 /nfs/dbraw/zinc/53/32/28/585533228.db2.gz PLEYHJANQVEFDM-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@H]2C)c(O)c1 ZINC000768144592 585533156 /nfs/dbraw/zinc/53/31/56/585533156.db2.gz VEKAKNQJMVHTNO-GFCCVEGCSA-N 1 0 249.354 3.165 20 10 BGCDRO CCOc1ccc(C[N@@H+]2CCCC[C@@H]2C)c(O)c1 ZINC000768144593 585533110 /nfs/dbraw/zinc/53/31/10/585533110.db2.gz VEKAKNQJMVHTNO-LBPRGKRZSA-N 1 0 249.354 3.165 20 10 BGCDRO COc1cccc(O)c1C[NH+]1CCCCCCC1 ZINC000768145166 585533016 /nfs/dbraw/zinc/53/30/16/585533016.db2.gz XVUIMRYJIHEDDG-UHFFFAOYSA-N 1 0 249.354 3.167 20 10 BGCDRO CCOc1ccc(C[N@H+](C)C2CCCC2)c(O)c1 ZINC000768213982 585534190 /nfs/dbraw/zinc/53/41/90/585534190.db2.gz DEJIKLASDMLAOL-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO CN(C)c1ccc(C[NH+]2C3CCC2CC3)cc1F ZINC000768227715 585533994 /nfs/dbraw/zinc/53/39/94/585533994.db2.gz GYEPBAWXPWKRCU-UHFFFAOYSA-N 1 0 248.345 3.019 20 10 BGCDRO CCN(CC)c1ccc(C[N@H+](C)CC)cc1F ZINC000768236891 585534336 /nfs/dbraw/zinc/53/43/36/585534336.db2.gz LCDMNLHZOWLADS-UHFFFAOYSA-N 1 0 238.350 3.124 20 10 BGCDRO CCOc1ccc(C[N@H+](CC)C(C)C)c(O)c1 ZINC000768237461 585534392 /nfs/dbraw/zinc/53/43/92/585534392.db2.gz SKEUEKZAEMEXJG-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000768269312 585535313 /nfs/dbraw/zinc/53/53/13/585535313.db2.gz MMUJMHPFIAOAIF-CYBMUJFWSA-N 1 0 234.387 3.229 20 10 BGCDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000768269314 585535304 /nfs/dbraw/zinc/53/53/04/585535304.db2.gz MMUJMHPFIAOAIF-ZDUSSCGKSA-N 1 0 234.387 3.229 20 10 BGCDRO CCCC[N@H+](Cc1cc(C)ccc1O)C1CC1 ZINC000768291965 585535588 /nfs/dbraw/zinc/53/55/88/585535588.db2.gz SQOALNVEUFEYIG-UHFFFAOYSA-N 1 0 233.355 3.465 20 10 BGCDRO CCCC[N@H+](Cc1c(O)cccc1OC)C1CC1 ZINC000768292198 585535434 /nfs/dbraw/zinc/53/54/34/585535434.db2.gz XIFIPAAEXRCSEX-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO CCC[N@H+](Cc1ccc(OCC)cc1O)C1CC1 ZINC000768292260 585535524 /nfs/dbraw/zinc/53/55/24/585535524.db2.gz YGCAPOGUHINFHZ-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000768318239 585535779 /nfs/dbraw/zinc/53/57/79/585535779.db2.gz KGZWSPCAGYXDOM-CYBMUJFWSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(O)c1C[N@@H+]1CCC[C@H]1C(C)C ZINC000768318243 585535651 /nfs/dbraw/zinc/53/56/51/585535651.db2.gz KGZWSPCAGYXDOM-ZDUSSCGKSA-N 1 0 249.354 3.021 20 10 BGCDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000768318405 585535663 /nfs/dbraw/zinc/53/56/63/585535663.db2.gz MHPSOIWUOGDJFI-INIZCTEOSA-N 1 0 246.398 3.373 20 10 BGCDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000768318406 585535679 /nfs/dbraw/zinc/53/56/79/585535679.db2.gz MHPSOIWUOGDJFI-MRXNPFEDSA-N 1 0 246.398 3.373 20 10 BGCDRO CC[N@H+](Cc1c(O)cccc1OC)C1CCCC1 ZINC000768335469 585535772 /nfs/dbraw/zinc/53/57/72/585535772.db2.gz QFLKWNOYAIVMKZ-UHFFFAOYSA-N 1 0 249.354 3.165 20 10 BGCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768337199 585535764 /nfs/dbraw/zinc/53/57/64/585535764.db2.gz BRAKGRPAVTUCGM-LLVKDONJSA-N 1 0 238.350 3.122 20 10 BGCDRO CC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000768337201 585535811 /nfs/dbraw/zinc/53/58/11/585535811.db2.gz BRAKGRPAVTUCGM-NSHDSACASA-N 1 0 238.350 3.122 20 10 BGCDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000768337758 585535776 /nfs/dbraw/zinc/53/57/76/585535776.db2.gz FXNNLVXVBVRDLO-CYBMUJFWSA-N 1 0 234.387 3.373 20 10 BGCDRO CCC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000768337759 585535603 /nfs/dbraw/zinc/53/56/03/585535603.db2.gz FXNNLVXVBVRDLO-ZDUSSCGKSA-N 1 0 234.387 3.373 20 10 BGCDRO CCOc1ccc(C[N@H+](C)[C@H](C)CC)c(O)c1 ZINC000768340003 585536122 /nfs/dbraw/zinc/53/61/22/585536122.db2.gz YIKQTMBCOMMWSK-LLVKDONJSA-N 1 0 237.343 3.021 20 10 BGCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)CC)c(O)c1 ZINC000768340004 585536200 /nfs/dbraw/zinc/53/62/00/585536200.db2.gz YIKQTMBCOMMWSK-NSHDSACASA-N 1 0 237.343 3.021 20 10 BGCDRO CCC[C@@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000768340062 585536155 /nfs/dbraw/zinc/53/61/55/585536155.db2.gz ZIEYGQXAXULIRC-LLVKDONJSA-N 1 0 237.343 3.021 20 10 BGCDRO CCC[C@H](C)[N@H+](C)Cc1c(O)cccc1OC ZINC000768340063 585536140 /nfs/dbraw/zinc/53/61/40/585536140.db2.gz ZIEYGQXAXULIRC-NSHDSACASA-N 1 0 237.343 3.021 20 10 BGCDRO Oc1cc2c(cc1C[NH+]1CCCCC1)CCCC2 ZINC000768437606 585538507 /nfs/dbraw/zinc/53/85/07/585538507.db2.gz BCIDYCDCMNQLKB-UHFFFAOYSA-N 1 0 245.366 3.257 20 10 BGCDRO CC(C)C[N@H+](C)Cc1cc2c(cc1O)CCCC2 ZINC000768441527 585538294 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/nfs/dbraw/zinc/68/41/93/585684193.db2.gz ARYQDOABLZSBJO-GFCCVEGCSA-N 1 0 239.746 3.276 20 10 BGCDRO CC(C)[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000775762578 585684039 /nfs/dbraw/zinc/68/40/39/585684039.db2.gz ARYQDOABLZSBJO-LBPRGKRZSA-N 1 0 239.746 3.276 20 10 BGCDRO CC(C)[C@H]1CC[N@@H+]1Cc1c(O)cccc1Cl ZINC000775762646 585683974 /nfs/dbraw/zinc/68/39/74/585683974.db2.gz CNOQLPJFOOXXOE-GFCCVEGCSA-N 1 0 239.746 3.276 20 10 BGCDRO CC(C)[C@@H]1CC[N@@H+]1Cc1c(O)cccc1Cl ZINC000775762647 585684129 /nfs/dbraw/zinc/68/41/29/585684129.db2.gz CNOQLPJFOOXXOE-LBPRGKRZSA-N 1 0 239.746 3.276 20 10 BGCDRO CCOc1ccc(C[N@@H+]2CC[C@H]2C(C)C)c(O)c1 ZINC000775763922 585684210 /nfs/dbraw/zinc/68/42/10/585684210.db2.gz HQJFFEPBKYVMSA-AWEZNQCLSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1ccc(C[N@@H+]2CC[C@@H]2C(C)C)c(O)c1 ZINC000775763924 585684173 /nfs/dbraw/zinc/68/41/73/585684173.db2.gz HQJFFEPBKYVMSA-CQSZACIVSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CC[C@@H]2C(C)C)c1O ZINC000775764240 585684166 /nfs/dbraw/zinc/68/41/66/585684166.db2.gz IZMGQBAXOZXYGJ-CYBMUJFWSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1cccc(C[N@@H+]2CC[C@H]2C(C)C)c1O ZINC000775764245 585683963 /nfs/dbraw/zinc/68/39/63/585683963.db2.gz IZMGQBAXOZXYGJ-ZDUSSCGKSA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H]2C(C)C)cc1C ZINC000775765446 585684182 /nfs/dbraw/zinc/68/41/82/585684182.db2.gz OOKHGTQVYFVGHG-AWEZNQCLSA-N 1 0 233.355 3.239 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H]2C(C)C)cc1C ZINC000775765448 585684293 /nfs/dbraw/zinc/68/42/93/585684293.db2.gz OOKHGTQVYFVGHG-CQSZACIVSA-N 1 0 233.355 3.239 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H]2C(C)C)c1 ZINC000775766495 585684592 /nfs/dbraw/zinc/68/45/92/585684592.db2.gz YJJFHWQKIOKRRC-AWEZNQCLSA-N 1 0 249.354 3.021 20 10 BGCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H]2C(C)C)c1 ZINC000775766496 585684625 /nfs/dbraw/zinc/68/46/25/585684625.db2.gz YJJFHWQKIOKRRC-CQSZACIVSA-N 1 0 249.354 3.021 20 10 BGCDRO C[C@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000775996082 585689212 /nfs/dbraw/zinc/68/92/12/585689212.db2.gz JSMOIOBMDCLMMF-AWEZNQCLSA-N 1 0 246.398 3.375 20 10 BGCDRO C[C@@H]1CCCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000775996083 585689158 /nfs/dbraw/zinc/68/91/58/585689158.db2.gz JSMOIOBMDCLMMF-CQSZACIVSA-N 1 0 246.398 3.375 20 10 BGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@@H](C)C1 ZINC000775999167 585689173 /nfs/dbraw/zinc/68/91/73/585689173.db2.gz UUMOOMNGKBHCAC-GFCCVEGCSA-N 1 0 249.354 3.023 20 10 BGCDRO COc1cccc(O)c1C[N@@H+]1CCCC[C@H](C)C1 ZINC000775999169 585689177 /nfs/dbraw/zinc/68/91/77/585689177.db2.gz UUMOOMNGKBHCAC-LBPRGKRZSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c(O)cccc1OC ZINC000776001178 585689234 /nfs/dbraw/zinc/68/92/34/585689234.db2.gz PSWUTXPBXFHMSX-AAEUAGOBSA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c(O)cccc1OC ZINC000776001179 585689207 /nfs/dbraw/zinc/68/92/07/585689207.db2.gz PSWUTXPBXFHMSX-DGCLKSJQSA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(O)cccc1OC ZINC000776001180 585689070 /nfs/dbraw/zinc/68/90/70/585689070.db2.gz PSWUTXPBXFHMSX-WCQYABFASA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1c(O)cccc1OC ZINC000776001181 585689080 /nfs/dbraw/zinc/68/90/80/585689080.db2.gz PSWUTXPBXFHMSX-YPMHNXCESA-N 1 0 249.354 3.021 20 10 BGCDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000776002610 585689247 /nfs/dbraw/zinc/68/92/47/585689247.db2.gz UFBQXWLAIIYFFN-BBRMVZONSA-N 1 0 246.398 3.373 20 10 BGCDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000776002614 585689104 /nfs/dbraw/zinc/68/91/04/585689104.db2.gz UFBQXWLAIIYFFN-CJNGLKHVSA-N 1 0 246.398 3.373 20 10 BGCDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000776002617 585689149 /nfs/dbraw/zinc/68/91/49/585689149.db2.gz UFBQXWLAIIYFFN-CZUORRHYSA-N 1 0 246.398 3.373 20 10 BGCDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000776002890 585689107 /nfs/dbraw/zinc/68/91/07/585689107.db2.gz UFBQXWLAIIYFFN-XJKSGUPXSA-N 1 0 246.398 3.373 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1CCCC1 ZINC000776173834 585691701 /nfs/dbraw/zinc/69/17/01/585691701.db2.gz AEIVVTSHJBCYMV-UHFFFAOYSA-N 1 0 246.398 3.341 20 10 BGCDRO CCOc1ccc(C[NH2+]CCCC2CC2)c(O)c1 ZINC000776208372 585693243 /nfs/dbraw/zinc/69/32/43/585693243.db2.gz AKBIZKGFJUHBFJ-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO Cc1cccc(C[NH2+]CC23CCC(CC2)C3)c1O ZINC000776252254 585694085 /nfs/dbraw/zinc/69/40/85/585694085.db2.gz AGNWQNHVLZZPIU-UHFFFAOYSA-N 1 0 245.366 3.371 20 10 BGCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000776698824 585703137 /nfs/dbraw/zinc/70/31/37/585703137.db2.gz CRKWZLOOKMPYSY-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(O)c1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000776698825 585703128 /nfs/dbraw/zinc/70/31/28/585703128.db2.gz CRKWZLOOKMPYSY-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000777148912 585709117 /nfs/dbraw/zinc/70/91/17/585709117.db2.gz JWRLIZVKDABGMO-GFCCVEGCSA-N 1 0 244.382 3.346 20 10 BGCDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000777148915 585709015 /nfs/dbraw/zinc/70/90/15/585709015.db2.gz JWRLIZVKDABGMO-LBPRGKRZSA-N 1 0 244.382 3.346 20 10 BGCDRO CCCC[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000778995803 585744107 /nfs/dbraw/zinc/74/41/07/585744107.db2.gz JNRSXMDQFMZWIH-UHFFFAOYSA-N 1 0 237.318 3.296 20 10 BGCDRO CC(C)[N@@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000778995973 585743989 /nfs/dbraw/zinc/74/39/89/585743989.db2.gz GZALFSULPJDHLG-UHFFFAOYSA-N 1 0 237.318 3.152 20 10 BGCDRO CC(C)[N@@H+](Cc1ccccc1O)CC1CC1 ZINC000778996842 585743805 /nfs/dbraw/zinc/74/38/05/585743805.db2.gz UIUUSGDYAHSWDG-UHFFFAOYSA-N 1 0 219.328 3.013 20 10 BGCDRO CC[N@H+](Cc1ccoc1)Cc1cc(F)ccc1O ZINC000779008345 585743707 /nfs/dbraw/zinc/74/37/07/585743707.db2.gz SZBNWIVWTOMVNK-UHFFFAOYSA-N 1 0 249.285 3.146 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]CC12CCC(CC1)C2 ZINC000779099792 585745299 /nfs/dbraw/zinc/74/52/99/585745299.db2.gz BHWBESHXDXLDGG-UHFFFAOYSA-N 1 0 249.329 3.201 20 10 BGCDRO Cc1cc(Cl)cc(C[N@H+]2CC=CCC2)c1O ZINC000779159530 585746116 /nfs/dbraw/zinc/74/61/16/585746116.db2.gz LSOUNKAWIUXWTG-UHFFFAOYSA-N 1 0 237.730 3.116 20 10 BGCDRO CCN(CC)c1ccc(C[N@H+]2CC=CCC2)cc1 ZINC000779164551 585746212 /nfs/dbraw/zinc/74/62/12/585746212.db2.gz YCCOAAWHQNXLJN-UHFFFAOYSA-N 1 0 244.382 3.295 20 10 BGCDRO CC(C)CCC[N@H+](C)Cc1ccccc1O ZINC000779214804 644710304 /nfs/dbraw/zinc/71/03/04/644710304.db2.gz GOHZJBQMRNXLKD-UHFFFAOYSA-N 1 0 221.344 3.260 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CC12CCC2 ZINC000779604124 585756946 /nfs/dbraw/zinc/75/69/46/585756946.db2.gz HHTPNIXDNHIOIO-CYBMUJFWSA-N 1 0 245.366 3.404 20 10 BGCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CC12CCC2 ZINC000779604125 585757028 /nfs/dbraw/zinc/75/70/28/585757028.db2.gz HHTPNIXDNHIOIO-ZDUSSCGKSA-N 1 0 245.366 3.404 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@H](C)C2)cc1C ZINC000780576404 585781748 /nfs/dbraw/zinc/78/17/48/585781748.db2.gz KIFFFXCLFULCDV-HZMBPMFUSA-N 1 0 233.355 3.287 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H](C)C2)cc1C ZINC000780576417 585781722 /nfs/dbraw/zinc/78/17/22/585781722.db2.gz KIFFFXCLFULCDV-IINYFYTJSA-N 1 0 233.355 3.287 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@@H](C)C2)cc1C ZINC000780576419 585781757 /nfs/dbraw/zinc/78/17/57/585781757.db2.gz KIFFFXCLFULCDV-QMTHXVAHSA-N 1 0 233.355 3.287 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@@H](C)C2)cc1C ZINC000780576420 585781853 /nfs/dbraw/zinc/78/18/53/585781853.db2.gz KIFFFXCLFULCDV-YGRLFVJLSA-N 1 0 233.355 3.287 20 10 BGCDRO CCOc1ccc(C[NH2+][C@H]2CC[C@H](C)C2)c(O)c1 ZINC000780577606 585781650 /nfs/dbraw/zinc/78/16/50/585781650.db2.gz RGFQTPYJQMOXMI-AAEUAGOBSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C)C2)c(O)c1 ZINC000780577608 585781776 /nfs/dbraw/zinc/78/17/76/585781776.db2.gz RGFQTPYJQMOXMI-DGCLKSJQSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C)C2)c(O)c1 ZINC000780577609 585781850 /nfs/dbraw/zinc/78/18/50/585781850.db2.gz RGFQTPYJQMOXMI-WCQYABFASA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)c(O)c1 ZINC000780577612 585781822 /nfs/dbraw/zinc/78/18/22/585781822.db2.gz RGFQTPYJQMOXMI-YPMHNXCESA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000780577640 585781802 /nfs/dbraw/zinc/78/18/02/585781802.db2.gz RRJXBEKLWGEVDV-AAEUAGOBSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H](C)C2)c1 ZINC000780577642 585781842 /nfs/dbraw/zinc/78/18/42/585781842.db2.gz RRJXBEKLWGEVDV-DGCLKSJQSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C)C2)c1 ZINC000780577643 585781873 /nfs/dbraw/zinc/78/18/73/585781873.db2.gz RRJXBEKLWGEVDV-WCQYABFASA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000780577644 585781869 /nfs/dbraw/zinc/78/18/69/585781869.db2.gz RRJXBEKLWGEVDV-YPMHNXCESA-N 1 0 249.354 3.069 20 10 BGCDRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccccc1O ZINC000780589629 585781898 /nfs/dbraw/zinc/78/18/98/585781898.db2.gz NRAHGRDKHHDBSR-UHFFFAOYSA-N 1 0 247.260 3.213 20 10 BGCDRO CCCC[N@H+](CC)Cc1ccc(N(C)C)cc1 ZINC000781136135 585791521 /nfs/dbraw/zinc/79/15/21/585791521.db2.gz GGPWERDKRPNZLO-UHFFFAOYSA-N 1 0 234.387 3.375 20 10 BGCDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000781928776 585805383 /nfs/dbraw/zinc/80/53/83/585805383.db2.gz DJTDCEAURPMQBO-BBRMVZONSA-N 1 0 245.366 3.404 20 10 BGCDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000781928777 582867141 /nfs/dbraw/zinc/86/71/41/582867141.db2.gz DJTDCEAURPMQBO-CJNGLKHVSA-N 1 0 245.366 3.404 20 10 BGCDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000781928778 582867187 /nfs/dbraw/zinc/86/71/87/582867187.db2.gz DJTDCEAURPMQBO-CZUORRHYSA-N 1 0 245.366 3.404 20 10 BGCDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3ccccc3O)C2)C1 ZINC000781928779 582867128 /nfs/dbraw/zinc/86/71/28/582867128.db2.gz DJTDCEAURPMQBO-XJKSGUPXSA-N 1 0 245.366 3.404 20 10 BGCDRO Cc1occc1C[NH2+][C@@H](C)c1ccccc1O ZINC000783499862 585835691 /nfs/dbraw/zinc/83/56/91/585835691.db2.gz CFPGNTZRWQQWJD-JTQLQIEISA-N 1 0 231.295 3.144 20 10 BGCDRO Cc1occc1C[NH2+][C@H](C)c1ccccc1O ZINC000783499864 585835779 /nfs/dbraw/zinc/83/57/79/585835779.db2.gz CFPGNTZRWQQWJD-SNVBAGLBSA-N 1 0 231.295 3.144 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1ccc[nH]1 ZINC000783523903 585836089 /nfs/dbraw/zinc/83/60/89/585836089.db2.gz DNZWHIMKUAUHBF-GHMZBOCLSA-N 1 0 230.311 3.132 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1ccccc1O ZINC000783523905 585836206 /nfs/dbraw/zinc/83/62/06/585836206.db2.gz DNZWHIMKUAUHBF-MNOVXSKESA-N 1 0 230.311 3.132 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc[nH]1 ZINC000783523907 585836200 /nfs/dbraw/zinc/83/62/00/585836200.db2.gz DNZWHIMKUAUHBF-QWRGUYRKSA-N 1 0 230.311 3.132 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1ccc[nH]1 ZINC000783523908 585835998 /nfs/dbraw/zinc/83/59/98/585835998.db2.gz DNZWHIMKUAUHBF-WDEREUQCSA-N 1 0 230.311 3.132 20 10 BGCDRO COc1ccc(C[NH2+]C23CCC(CC2)C3)cc1C ZINC000784642780 585865152 /nfs/dbraw/zinc/86/51/52/585865152.db2.gz ADOVFVISZDCFHK-UHFFFAOYSA-N 1 0 245.366 3.426 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C23CCC(CC2)C3)cc1C ZINC000784643133 585865301 /nfs/dbraw/zinc/86/53/01/585865301.db2.gz HDCLMTVHVFOHQU-UHFFFAOYSA-N 1 0 245.366 3.431 20 10 BGCDRO CN(C)c1ccc(C[NH+]2CCC3(CC3)CC2)cc1 ZINC000785770614 585880470 /nfs/dbraw/zinc/88/04/70/585880470.db2.gz ZPHTXIJSHYFRPF-UHFFFAOYSA-N 1 0 244.382 3.129 20 10 BGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)CC1(C)CC1 ZINC000787048473 585900297 /nfs/dbraw/zinc/90/02/97/585900297.db2.gz GJHRZFATQHSRLU-UHFFFAOYSA-N 1 0 246.398 3.375 20 10 BGCDRO CCC[N@H+](Cc1ccccc1O)CC1(C)CC1 ZINC000787137964 585901964 /nfs/dbraw/zinc/90/19/64/585901964.db2.gz MXHDSLMTVZJGAL-UHFFFAOYSA-N 1 0 233.355 3.404 20 10 BGCDRO CCCN(CC1(C)CC1)c1ccc(C[NH3+])cc1 ZINC000787288313 585905251 /nfs/dbraw/zinc/90/52/51/585905251.db2.gz CEUGJJFYOOUEEO-UHFFFAOYSA-N 1 0 232.371 3.162 20 10 BGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1C[C@@H]1C ZINC000788443939 585923898 /nfs/dbraw/zinc/92/38/98/585923898.db2.gz VSCKCYJKKQUIIA-DZGCQCFKSA-N 1 0 246.398 3.231 20 10 BGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1C[C@H]1C ZINC000788443947 585923887 /nfs/dbraw/zinc/92/38/87/585923887.db2.gz VSCKCYJKKQUIIA-HIFRSBDPSA-N 1 0 246.398 3.231 20 10 BGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H]1C[C@H]1C ZINC000788443948 585923716 /nfs/dbraw/zinc/92/37/16/585923716.db2.gz VSCKCYJKKQUIIA-UKRRQHHQSA-N 1 0 246.398 3.231 20 10 BGCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H]1C[C@@H]1C ZINC000788443949 585923718 /nfs/dbraw/zinc/92/37/18/585923718.db2.gz VSCKCYJKKQUIIA-ZFWWWQNUSA-N 1 0 246.398 3.231 20 10 BGCDRO CC1=CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000788506562 585925961 /nfs/dbraw/zinc/92/59/61/585925961.db2.gz WBPOITQMBZVHGM-HNNXBMFYSA-N 1 0 244.382 3.341 20 10 BGCDRO CC1=CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000788506563 585925840 /nfs/dbraw/zinc/92/58/40/585925840.db2.gz WBPOITQMBZVHGM-OAHLLOKOSA-N 1 0 244.382 3.341 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1CC(C)(C)C1 ZINC000788580451 585927149 /nfs/dbraw/zinc/92/71/49/585927149.db2.gz MHCLVWZPYMKTGY-UHFFFAOYSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)c(O)c1 ZINC000788646809 585928518 /nfs/dbraw/zinc/92/85/18/585928518.db2.gz DBJRAIUEHMFTET-DRZSPHRISA-N 1 0 233.355 3.316 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H]2C)c(O)c1 ZINC000788646812 585928561 /nfs/dbraw/zinc/92/85/61/585928561.db2.gz DBJRAIUEHMFTET-KGYLQXTDSA-N 1 0 233.355 3.316 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)c(O)c1 ZINC000788646813 585928366 /nfs/dbraw/zinc/92/83/66/585928366.db2.gz DBJRAIUEHMFTET-WCFLWFBJSA-N 1 0 233.355 3.316 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)c(O)c1 ZINC000788646814 585928378 /nfs/dbraw/zinc/92/83/78/585928378.db2.gz DBJRAIUEHMFTET-WXHSDQCUSA-N 1 0 233.355 3.316 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCC2CC2)c(O)c1 ZINC000788668087 585928683 /nfs/dbraw/zinc/92/86/83/585928683.db2.gz WYBKTFAIHNWGRL-GFCCVEGCSA-N 1 0 233.355 3.460 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCC2CC2)c(O)c1 ZINC000788668090 585928707 /nfs/dbraw/zinc/92/87/07/585928707.db2.gz WYBKTFAIHNWGRL-LBPRGKRZSA-N 1 0 233.355 3.460 20 10 BGCDRO CC(C)=CCC[NH2+]Cc1cc(C)c(C)cc1O ZINC000790989740 585971724 /nfs/dbraw/zinc/97/17/24/585971724.db2.gz BPQKINLPDMQZEU-UHFFFAOYSA-N 1 0 233.355 3.455 20 10 BGCDRO CCOc1ccc(C[NH2+]CCC=C(C)C)c(O)c1 ZINC000790992542 585971614 /nfs/dbraw/zinc/97/16/14/585971614.db2.gz YEGQDNNEOMGDAS-UHFFFAOYSA-N 1 0 249.354 3.237 20 10 BGCDRO CCC[N@H+](Cc1ccccc1O)CC1(F)CC1 ZINC000792800185 586005460 /nfs/dbraw/zinc/00/54/60/586005460.db2.gz VJYRJFAVBHMWFP-UHFFFAOYSA-N 1 0 237.318 3.106 20 10 BGCDRO Cc1cc(O)c(C[NH+]2CC(C(C)C)C2)cc1C ZINC000793191063 586013843 /nfs/dbraw/zinc/01/38/43/586013843.db2.gz JWJKFMNWKSXYFI-UHFFFAOYSA-N 1 0 233.355 3.097 20 10 BGCDRO CC(C)C1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000793191704 586013754 /nfs/dbraw/zinc/01/37/54/586013754.db2.gz LAPHXRISRLIGFN-UHFFFAOYSA-N 1 0 239.746 3.133 20 10 BGCDRO CC(C)C1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000793193653 586013760 /nfs/dbraw/zinc/01/37/60/586013760.db2.gz XOGFGPXBDMXYGQ-UHFFFAOYSA-N 1 0 239.746 3.133 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CCC2(C)CC2)cc1C ZINC000793200091 636029950 /nfs/dbraw/zinc/02/99/50/636029950.db2.gz AEGYODCGNCLPAH-UHFFFAOYSA-N 1 0 233.355 3.289 20 10 BGCDRO Cc1cc(Cl)cc(C[NH+]2[C@H](C)C[C@H]2C)c1O ZINC000793219589 586014152 /nfs/dbraw/zinc/01/41/52/586014152.db2.gz AHIPKORMEGFVCE-NXEZZACHSA-N 1 0 239.746 3.337 20 10 BGCDRO Cc1cc(Cl)cc(C[NH+]2[C@@H](C)C[C@@H]2C)c1O ZINC000793219590 586014118 /nfs/dbraw/zinc/01/41/18/586014118.db2.gz AHIPKORMEGFVCE-UWVGGRQHSA-N 1 0 239.746 3.337 20 10 BGCDRO C[C@@H]1C[C@H](C)[N@H+]1Cc1cccc(Cl)c1[O-] ZINC000793228492 586014653 /nfs/dbraw/zinc/01/46/53/586014653.db2.gz MWDDWAUDLNLERX-DTORHVGOSA-N 1 0 225.719 3.028 20 10 BGCDRO COc1ccc(CNC(C)(C)C(F)F)cc1C ZINC000793256664 586015372 /nfs/dbraw/zinc/01/53/72/586015372.db2.gz ZDRDSVZLRPUJGW-UHFFFAOYSA-N 1 0 243.297 3.137 20 10 BGCDRO Cc1cc(O)c(CNC(C)(C)C(F)F)cc1C ZINC000793256901 586015267 /nfs/dbraw/zinc/01/52/67/586015267.db2.gz UIXRPZJCSCJBKV-UHFFFAOYSA-N 1 0 243.297 3.142 20 10 BGCDRO CC[N@@H+](Cc1ccccc1O)CC1CCC1 ZINC000793351836 586017108 /nfs/dbraw/zinc/01/71/08/586017108.db2.gz HOZZEYKKJAMJLL-UHFFFAOYSA-N 1 0 219.328 3.014 20 10 BGCDRO CC[N@@H+](Cc1cc(F)ccc1O)CC1CCC1 ZINC000793352409 586017322 /nfs/dbraw/zinc/01/73/22/586017322.db2.gz NEBUFISKZFCJOZ-UHFFFAOYSA-N 1 0 237.318 3.153 20 10 BGCDRO CC[N@@H+](Cc1c(O)cccc1OC)CC1CCC1 ZINC000793353039 586017113 /nfs/dbraw/zinc/01/71/13/586017113.db2.gz QBYNYLFREWHZCQ-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[N@@H+](Cc1cc(OC)ccc1O)CC1CCC1 ZINC000793353613 586017176 /nfs/dbraw/zinc/01/71/76/586017176.db2.gz SSDCAMHPMZCUOR-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[N@@H+](Cc1cccc(C)c1O)CC1CCC1 ZINC000793354220 586017372 /nfs/dbraw/zinc/01/73/72/586017372.db2.gz YZVWHCZHWLEOBW-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO CC[N@@H+](Cc1cccc(OC)c1O)CC1CCC1 ZINC000793354277 586017281 /nfs/dbraw/zinc/01/72/81/586017281.db2.gz ZMFJTTAADCUSBF-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CC[N@@H+](Cc1cc(C)ccc1O)CC1CCC1 ZINC000793354297 586017355 /nfs/dbraw/zinc/01/73/55/586017355.db2.gz ZTVYZTCCAOSQMA-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO Oc1ccccc1C[N@H+](CC1CC1)CC1CCC1 ZINC000793388604 586018123 /nfs/dbraw/zinc/01/81/23/586018123.db2.gz GVTVMYJJAPCVLW-UHFFFAOYSA-N 1 0 245.366 3.404 20 10 BGCDRO Cc1cccc(C[N@H+](CC2CC2)C2CCC2)c1O ZINC000793393420 586018059 /nfs/dbraw/zinc/01/80/59/586018059.db2.gz GODIUVQHMGWLGB-UHFFFAOYSA-N 1 0 245.366 3.465 20 10 BGCDRO Oc1ccccc1C[N@H+](CC1CC1)C1CCC1 ZINC000793394281 586018022 /nfs/dbraw/zinc/01/80/22/586018022.db2.gz MAUJWKFUIRUGJJ-UHFFFAOYSA-N 1 0 231.339 3.157 20 10 BGCDRO Oc1ccc(F)cc1C[N@H+](CC1CC1)C1CCC1 ZINC000793394896 586018234 /nfs/dbraw/zinc/01/82/34/586018234.db2.gz NRZYBMUXDGNCDP-UHFFFAOYSA-N 1 0 249.329 3.296 20 10 BGCDRO Cc1ccc(O)c(C[N@H+](CC2CC2)C2CCC2)c1 ZINC000793395284 586018197 /nfs/dbraw/zinc/01/81/97/586018197.db2.gz JEANDFVNKJWQAZ-UHFFFAOYSA-N 1 0 245.366 3.465 20 10 BGCDRO Cc1cc(C[NH2+][C@H]2CCC2(C)C)ccc1N(C)C ZINC000793539039 586022227 /nfs/dbraw/zinc/02/22/27/586022227.db2.gz GTDULXAJPGUIDU-HNNXBMFYSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(C[NH2+][C@@H]2CCC2(C)C)ccc1N(C)C ZINC000793539040 586022157 /nfs/dbraw/zinc/02/21/57/586022157.db2.gz GTDULXAJPGUIDU-OAHLLOKOSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCC1(C)C ZINC000793542930 586022424 /nfs/dbraw/zinc/02/24/24/586022424.db2.gz SAGOSFLQNVVOTM-HNNXBMFYSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCC1(C)C ZINC000793542931 586022497 /nfs/dbraw/zinc/02/24/97/586022497.db2.gz SAGOSFLQNVVOTM-OAHLLOKOSA-N 1 0 246.398 3.339 20 10 BGCDRO CC[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000793811759 586027062 /nfs/dbraw/zinc/02/70/62/586027062.db2.gz WBAGLVCDDSOWDY-HNNXBMFYSA-N 1 0 245.366 3.255 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000793811760 586027172 /nfs/dbraw/zinc/02/71/72/586027172.db2.gz WBAGLVCDDSOWDY-OAHLLOKOSA-N 1 0 245.366 3.255 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1C[C@H]1C)c1ccc(C)cc1O ZINC000794802296 586049036 /nfs/dbraw/zinc/04/90/36/586049036.db2.gz NIKLCHKZIFAHOU-BZPMIXESSA-N 1 0 233.355 3.397 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1ccc(C)cc1O ZINC000794802298 586048945 /nfs/dbraw/zinc/04/89/45/586048945.db2.gz NIKLCHKZIFAHOU-DYEKYZERSA-N 1 0 233.355 3.397 20 10 BGCDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1ccc(C)cc1O ZINC000794802300 586048922 /nfs/dbraw/zinc/04/89/22/586048922.db2.gz NIKLCHKZIFAHOU-OBJOEFQTSA-N 1 0 233.355 3.397 20 10 BGCDRO CC[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1ccc(C)cc1O ZINC000794802302 586048958 /nfs/dbraw/zinc/04/89/58/586048958.db2.gz NIKLCHKZIFAHOU-SCRDCRAPSA-N 1 0 233.355 3.397 20 10 BGCDRO CC[C@H]([NH2+]C1CC=CC1)c1ccc(C)cc1O ZINC000794812571 586049511 /nfs/dbraw/zinc/04/95/11/586049511.db2.gz XLYAVSRTWXCIPJ-AWEZNQCLSA-N 1 0 231.339 3.460 20 10 BGCDRO CC[C@@H]([NH2+]C1CC=CC1)c1ccc(C)cc1O ZINC000794812572 586049258 /nfs/dbraw/zinc/04/92/58/586049258.db2.gz XLYAVSRTWXCIPJ-CQSZACIVSA-N 1 0 231.339 3.460 20 10 BGCDRO CC1=C(C)C[N@H+](Cc2cc(F)ccc2O)CC1 ZINC000796016685 586096406 /nfs/dbraw/zinc/09/64/06/586096406.db2.gz BCCKDDLMUVPCOM-UHFFFAOYSA-N 1 0 235.302 3.073 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC(C)=C(C)C2)c1O ZINC000796018102 586096304 /nfs/dbraw/zinc/09/63/04/586096304.db2.gz MNRGZGIUSUPIBI-UHFFFAOYSA-N 1 0 231.339 3.243 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC(C)=C(C)C2)c1 ZINC000796019724 586096531 /nfs/dbraw/zinc/09/65/31/586096531.db2.gz FHQIQRQEDQXVRE-UHFFFAOYSA-N 1 0 231.339 3.243 20 10 BGCDRO CC1=C(C)C[N@H+](Cc2ccc(N(C)C)cc2)CC1 ZINC000796020416 586096509 /nfs/dbraw/zinc/09/65/09/586096509.db2.gz MNMUBLSZDDWQSY-UHFFFAOYSA-N 1 0 244.382 3.295 20 10 BGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000796678110 586110026 /nfs/dbraw/zinc/11/00/26/586110026.db2.gz YJRIOQNRKKSTCO-CVEARBPZSA-N 1 0 246.398 3.277 20 10 BGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000796678112 586109978 /nfs/dbraw/zinc/10/99/78/586109978.db2.gz YJRIOQNRKKSTCO-HOTGVXAUSA-N 1 0 246.398 3.277 20 10 BGCDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000796678113 586109991 /nfs/dbraw/zinc/10/99/91/586109991.db2.gz YJRIOQNRKKSTCO-HZPDHXFCSA-N 1 0 246.398 3.277 20 10 BGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000796678115 586110068 /nfs/dbraw/zinc/11/00/68/586110068.db2.gz YJRIOQNRKKSTCO-JKSUJKDBSA-N 1 0 246.398 3.277 20 10 BGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000796740263 586111321 /nfs/dbraw/zinc/11/13/21/586111321.db2.gz ZNGUZZWMTBENCP-CABCVRRESA-N 1 0 245.366 3.146 20 10 BGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000796740264 586111402 /nfs/dbraw/zinc/11/14/02/586111402.db2.gz ZNGUZZWMTBENCP-GJZGRUSLSA-N 1 0 245.366 3.146 20 10 BGCDRO CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000796740266 586111292 /nfs/dbraw/zinc/11/12/92/586111292.db2.gz ZNGUZZWMTBENCP-HUUCEWRRSA-N 1 0 245.366 3.146 20 10 BGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000796740314 586111399 /nfs/dbraw/zinc/11/13/99/586111399.db2.gz ZNGUZZWMTBENCP-LSDHHAIUSA-N 1 0 245.366 3.146 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c(O)c1C ZINC000797126883 586120820 /nfs/dbraw/zinc/12/08/20/586120820.db2.gz BJPBNLFRNDSEKD-JKOKRWQUSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)c(O)c1C ZINC000797126884 586120738 /nfs/dbraw/zinc/12/07/38/586120738.db2.gz BJPBNLFRNDSEKD-OSMZGAPFSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c(O)c1C ZINC000797126885 586120732 /nfs/dbraw/zinc/12/07/32/586120732.db2.gz BJPBNLFRNDSEKD-SCDSUCTJSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c(O)c1C ZINC000797126886 586120833 /nfs/dbraw/zinc/12/08/33/586120833.db2.gz BJPBNLFRNDSEKD-VHRBIJSZSA-N 1 0 233.355 3.458 20 10 BGCDRO C[C@@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000797131696 586120894 /nfs/dbraw/zinc/12/08/94/586120894.db2.gz XCWCVDDKFGAFOI-IQIPOGNMSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000797131700 586120784 /nfs/dbraw/zinc/12/07/84/586120784.db2.gz XCWCVDDKFGAFOI-LSKIRQOJSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@H]1CC[C@@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000797131702 586120770 /nfs/dbraw/zinc/12/07/70/586120770.db2.gz XCWCVDDKFGAFOI-QCMRWSPLSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@H]1CC[C@H]1[NH2+][C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000797131704 586120853 /nfs/dbraw/zinc/12/08/53/586120853.db2.gz XCWCVDDKFGAFOI-SPFNVWMYSA-N 1 0 249.329 3.468 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)=C[C@@H](C)C2)cc1C ZINC000797417615 586126634 /nfs/dbraw/zinc/12/66/34/586126634.db2.gz QAURIHKAMFFBFD-LLVKDONJSA-N 1 0 245.366 3.407 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CC(C)=C[C@H](C)C2)cc1C ZINC000797417616 586126547 /nfs/dbraw/zinc/12/65/47/586126547.db2.gz QAURIHKAMFFBFD-NSHDSACASA-N 1 0 245.366 3.407 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000797419795 586126594 /nfs/dbraw/zinc/12/65/94/586126594.db2.gz RHAYTQLALGYRKT-GFCCVEGCSA-N 1 0 245.366 3.407 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000797419798 586126781 /nfs/dbraw/zinc/12/67/81/586126781.db2.gz RHAYTQLALGYRKT-LBPRGKRZSA-N 1 0 245.366 3.407 20 10 BGCDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000797526696 586128397 /nfs/dbraw/zinc/12/83/97/586128397.db2.gz XDSVPDOVLXNVJW-CYBMUJFWSA-N 1 0 244.382 3.151 20 10 BGCDRO CC1=C[C@H](C)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000797526698 586128360 /nfs/dbraw/zinc/12/83/60/586128360.db2.gz XDSVPDOVLXNVJW-ZDUSSCGKSA-N 1 0 244.382 3.151 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)=C[C@@H](C)C2)c1 ZINC000797604227 586129350 /nfs/dbraw/zinc/12/93/50/586129350.db2.gz BRHGCIUBEBNHFR-GFCCVEGCSA-N 1 0 231.339 3.099 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)=C[C@H](C)C2)c1 ZINC000797604229 586129435 /nfs/dbraw/zinc/12/94/35/586129435.db2.gz BRHGCIUBEBNHFR-LBPRGKRZSA-N 1 0 231.339 3.099 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CCC=C(C)C2)cc1C ZINC000797823193 586132546 /nfs/dbraw/zinc/13/25/46/586132546.db2.gz NKUJRAKCSZCFCX-UHFFFAOYSA-N 1 0 231.339 3.161 20 10 BGCDRO CC1=CCC[N@H+](Cc2cc3c(cc2O)CCC3)C1 ZINC000797823278 586132333 /nfs/dbraw/zinc/13/23/33/586132333.db2.gz QGBXZGKOTMRSDF-UHFFFAOYSA-N 1 0 243.350 3.033 20 10 BGCDRO Cc1cc(C)c(O)c(C[N@H+]2CCC=C(C)C2)c1 ZINC000797823281 586132402 /nfs/dbraw/zinc/13/24/02/586132402.db2.gz QIBKBERVCJKWSV-UHFFFAOYSA-N 1 0 231.339 3.161 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1 ZINC000797905182 586133790 /nfs/dbraw/zinc/13/37/90/586133790.db2.gz IPQAMNBRVPYOJL-CVEARBPZSA-N 1 0 244.382 3.031 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1 ZINC000797905183 586133739 /nfs/dbraw/zinc/13/37/39/586133739.db2.gz IPQAMNBRVPYOJL-HOTGVXAUSA-N 1 0 244.382 3.031 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1 ZINC000797905184 636408571 /nfs/dbraw/zinc/40/85/71/636408571.db2.gz IPQAMNBRVPYOJL-HZPDHXFCSA-N 1 0 244.382 3.031 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1 ZINC000797905185 636408381 /nfs/dbraw/zinc/40/83/81/636408381.db2.gz IPQAMNBRVPYOJL-JKSUJKDBSA-N 1 0 244.382 3.031 20 10 BGCDRO Oc1ccc(-c2ccccc2)cc1C[NH2+]CCF ZINC000798087264 586136756 /nfs/dbraw/zinc/13/67/56/586136756.db2.gz SOYJNENZRPCDOY-UHFFFAOYSA-N 1 0 245.297 3.118 20 10 BGCDRO CC1=CCC[N@@H+](Cc2ccc(N(C)C)c(F)c2)C1 ZINC000798089934 586136740 /nfs/dbraw/zinc/13/67/40/586136740.db2.gz AXTPQXRJNHWOIK-UHFFFAOYSA-N 1 0 248.345 3.044 20 10 BGCDRO CC1=CCC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000798090539 586136641 /nfs/dbraw/zinc/13/66/41/586136641.db2.gz OQHXDVWTQNKORL-UHFFFAOYSA-N 1 0 237.730 3.198 20 10 BGCDRO CC1=CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000798090716 586136693 /nfs/dbraw/zinc/13/66/93/586136693.db2.gz YUXWXLLSFMWFRP-UHFFFAOYSA-N 1 0 237.730 3.198 20 10 BGCDRO C[N@H+](Cc1cc2c(cc1O)CCC2)C1CCCC1 ZINC000798194102 586139535 /nfs/dbraw/zinc/13/95/35/586139535.db2.gz XSOFRNDYJMVNSV-UHFFFAOYSA-N 1 0 245.366 3.255 20 10 BGCDRO c1cc(C[NH2+][C@H]2CCC23CCC3)cc2c1OCC2 ZINC000800476065 644835979 /nfs/dbraw/zinc/83/59/79/644835979.db2.gz GEKYKNJVWZNPHN-HNNXBMFYSA-N 1 0 243.350 3.044 20 10 BGCDRO c1cc(C[NH2+][C@@H]2CCC23CCC3)cc2c1OCC2 ZINC000800476072 644836195 /nfs/dbraw/zinc/83/61/95/644836195.db2.gz GEKYKNJVWZNPHN-OAHLLOKOSA-N 1 0 243.350 3.044 20 10 BGCDRO CC(C)(C[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000800888376 586235934 /nfs/dbraw/zinc/23/59/34/586235934.db2.gz AJXMTHZTKRMSKK-UHFFFAOYSA-N 1 0 247.260 3.070 20 10 BGCDRO Oc1ccccc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000800969462 586238237 /nfs/dbraw/zinc/23/82/37/586238237.db2.gz OYYOCHIJJCBSSH-KBPBESRZSA-N 1 0 231.339 3.061 20 10 BGCDRO Oc1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000800969463 586238260 /nfs/dbraw/zinc/23/82/60/586238260.db2.gz OYYOCHIJJCBSSH-KGLIPLIRSA-N 1 0 231.339 3.061 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000800969464 586238698 /nfs/dbraw/zinc/23/86/98/586238698.db2.gz OYYOCHIJJCBSSH-UONOGXRCSA-N 1 0 231.339 3.061 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000800969465 586238434 /nfs/dbraw/zinc/23/84/34/586238434.db2.gz OYYOCHIJJCBSSH-ZIAGYGMSSA-N 1 0 231.339 3.061 20 10 BGCDRO CCCC[N@H+](Cc1ccccc1O)C(C)C ZINC000801597263 586266194 /nfs/dbraw/zinc/26/61/94/586266194.db2.gz FDOSNEWYPNMZTC-UHFFFAOYSA-N 1 0 221.344 3.403 20 10 BGCDRO CCCC[N@@H+](Cc1ccccc1O)CC1CC1 ZINC000801599243 586266033 /nfs/dbraw/zinc/26/60/33/586266033.db2.gz GYBSESHYNKVGHI-UHFFFAOYSA-N 1 0 233.355 3.404 20 10 BGCDRO CC1C[NH+](Cc2ccc(N3CCCCC3)cc2)C1 ZINC000802651537 586308046 /nfs/dbraw/zinc/30/80/46/586308046.db2.gz QJKCRUNGXGASRO-UHFFFAOYSA-N 1 0 244.382 3.129 20 10 BGCDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000806128691 586404944 /nfs/dbraw/zinc/40/49/44/586404944.db2.gz WGYAEIVAYFKIMV-DZGCQCFKSA-N 1 0 232.371 3.031 20 10 BGCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000806128692 586404650 /nfs/dbraw/zinc/40/46/50/586404650.db2.gz WGYAEIVAYFKIMV-HIFRSBDPSA-N 1 0 232.371 3.031 20 10 BGCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000806128693 586404791 /nfs/dbraw/zinc/40/47/91/586404791.db2.gz WGYAEIVAYFKIMV-UKRRQHHQSA-N 1 0 232.371 3.031 20 10 BGCDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000806128694 586404621 /nfs/dbraw/zinc/40/46/21/586404621.db2.gz WGYAEIVAYFKIMV-ZFWWWQNUSA-N 1 0 232.371 3.031 20 10 BGCDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000806141355 585333702 /nfs/dbraw/zinc/33/37/02/585333702.db2.gz RIEIOTSMXBOKQV-BBRMVZONSA-N 1 0 246.398 3.339 20 10 BGCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000806141356 585333916 /nfs/dbraw/zinc/33/39/16/585333916.db2.gz RIEIOTSMXBOKQV-CJNGLKHVSA-N 1 0 246.398 3.339 20 10 BGCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000806141358 585333820 /nfs/dbraw/zinc/33/38/20/585333820.db2.gz RIEIOTSMXBOKQV-CZUORRHYSA-N 1 0 246.398 3.339 20 10 BGCDRO CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1C ZINC000806141359 585333842 /nfs/dbraw/zinc/33/38/42/585333842.db2.gz RIEIOTSMXBOKQV-XJKSGUPXSA-N 1 0 246.398 3.339 20 10 BGCDRO CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1O ZINC000806168986 582524252 /nfs/dbraw/zinc/52/42/52/582524252.db2.gz GZDQDVZFDKPNHZ-AXFHLTTASA-N 1 0 241.281 3.087 20 10 BGCDRO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1ccccc1O ZINC000806168989 582524187 /nfs/dbraw/zinc/52/41/87/582524187.db2.gz GZDQDVZFDKPNHZ-DCAQKATOSA-N 1 0 241.281 3.087 20 10 BGCDRO CC(C)CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000807268709 586431228 /nfs/dbraw/zinc/43/12/28/586431228.db2.gz TZZNHVSUPKOADW-UHFFFAOYSA-N 1 0 234.387 3.231 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC2(C)C)cc1C ZINC000808421509 586472372 /nfs/dbraw/zinc/47/23/72/586472372.db2.gz KIHZVTDXIANDOI-AWEZNQCLSA-N 1 0 233.355 3.287 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC2(C)C)cc1C ZINC000808421510 586472494 /nfs/dbraw/zinc/47/24/94/586472494.db2.gz KIHZVTDXIANDOI-CQSZACIVSA-N 1 0 233.355 3.287 20 10 BGCDRO CCOc1ccc(C[NH2+][C@H]2CCC2(C)C)c(O)c1 ZINC000808421536 586472094 /nfs/dbraw/zinc/47/20/94/586472094.db2.gz LSFKYRRXZZWCMZ-AWEZNQCLSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(C[NH2+][C@@H]2CCC2(C)C)c(O)c1 ZINC000808421537 586472287 /nfs/dbraw/zinc/47/22/87/586472287.db2.gz LSFKYRRXZZWCMZ-CQSZACIVSA-N 1 0 249.354 3.069 20 10 BGCDRO C[N@H+](Cc1ccccc1O)CC12CCC(CC1)C2 ZINC000809575534 644893170 /nfs/dbraw/zinc/89/31/70/644893170.db2.gz GVQPDYNASYSFMU-UHFFFAOYSA-N 1 0 245.366 3.404 20 10 BGCDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000809611902 644893470 /nfs/dbraw/zinc/89/34/70/644893470.db2.gz BHOFIQQUWQQMAA-CYBMUJFWSA-N 1 0 247.382 3.393 20 10 BGCDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000809611903 644894626 /nfs/dbraw/zinc/89/46/26/644894626.db2.gz BHOFIQQUWQQMAA-ZDUSSCGKSA-N 1 0 247.382 3.393 20 10 BGCDRO Cc1cccc(C[NH+]2CCC3(CCC3)CC2)c1O ZINC000809706531 586514115 /nfs/dbraw/zinc/51/41/15/586514115.db2.gz BQTCDKBHRKRSHL-UHFFFAOYSA-N 1 0 245.366 3.467 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2CCC3(CCC3)CC2)c1 ZINC000809706610 586513751 /nfs/dbraw/zinc/51/37/51/586513751.db2.gz FEPCGHSRPFGCGW-UHFFFAOYSA-N 1 0 245.366 3.467 20 10 BGCDRO Oc1ccc(F)cc1C[NH+]1CCC2(CCC2)CC1 ZINC000809706683 586513879 /nfs/dbraw/zinc/51/38/79/586513879.db2.gz HQAKANSGQNSJBV-UHFFFAOYSA-N 1 0 249.329 3.297 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000809786422 586519584 /nfs/dbraw/zinc/51/95/84/586519584.db2.gz AZITUSYUEUGRAE-AWEZNQCLSA-N 1 0 245.366 3.323 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000809786423 586519561 /nfs/dbraw/zinc/51/95/61/586519561.db2.gz AZITUSYUEUGRAE-CQSZACIVSA-N 1 0 245.366 3.323 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1O ZINC000809786456 586519937 /nfs/dbraw/zinc/51/99/37/586519937.db2.gz BXRLXGKBQSUNBB-AWEZNQCLSA-N 1 0 245.366 3.323 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1O ZINC000809786457 586519828 /nfs/dbraw/zinc/51/98/28/586519828.db2.gz BXRLXGKBQSUNBB-CQSZACIVSA-N 1 0 245.366 3.323 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000809786578 586519718 /nfs/dbraw/zinc/51/97/18/586519718.db2.gz FLPFPLRDCSZCED-GFCCVEGCSA-N 1 0 249.329 3.153 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000809786579 586519597 /nfs/dbraw/zinc/51/95/97/586519597.db2.gz FLPFPLRDCSZCED-LBPRGKRZSA-N 1 0 249.329 3.153 20 10 BGCDRO CCC(CC)[N@H+](CC)Cc1ccccc1O ZINC000809788086 586520240 /nfs/dbraw/zinc/52/02/40/586520240.db2.gz MXTFTAHWZLDTCA-UHFFFAOYSA-N 1 0 221.344 3.403 20 10 BGCDRO Cc1cccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c1O ZINC000811513072 586560275 /nfs/dbraw/zinc/56/02/75/586560275.db2.gz DCKDUYKLMUUFAU-HNNXBMFYSA-N 1 0 245.366 3.321 20 10 BGCDRO Cc1cccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c1O ZINC000811513077 586560309 /nfs/dbraw/zinc/56/03/09/586560309.db2.gz DCKDUYKLMUUFAU-OAHLLOKOSA-N 1 0 245.366 3.321 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)c1 ZINC000811513445 586560385 /nfs/dbraw/zinc/56/03/85/586560385.db2.gz IGQCWDFNQBBWBR-HNNXBMFYSA-N 1 0 245.366 3.321 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)c1 ZINC000811513448 586560302 /nfs/dbraw/zinc/56/03/02/586560302.db2.gz IGQCWDFNQBBWBR-OAHLLOKOSA-N 1 0 245.366 3.321 20 10 BGCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)[C@H]1C1CC1 ZINC000811513931 586560540 /nfs/dbraw/zinc/56/05/40/586560540.db2.gz WFSSDCDEMHODGV-AWEZNQCLSA-N 1 0 249.329 3.152 20 10 BGCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)[C@@H]1C1CC1 ZINC000811513932 586560348 /nfs/dbraw/zinc/56/03/48/586560348.db2.gz WFSSDCDEMHODGV-CQSZACIVSA-N 1 0 249.329 3.152 20 10 BGCDRO CC1(C2CC2)CC[NH+](Cc2ccccc2O)CC1 ZINC000811514632 586560452 /nfs/dbraw/zinc/56/04/52/586560452.db2.gz OGUFCLNJVVKAFG-UHFFFAOYSA-N 1 0 245.366 3.404 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCCCF)c(O)c1C ZINC000812735739 586583576 /nfs/dbraw/zinc/58/35/76/586583576.db2.gz GFOQCPYAIVNJCC-GFCCVEGCSA-N 1 0 239.334 3.409 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCCCF)c(O)c1C ZINC000812735740 586583491 /nfs/dbraw/zinc/58/34/91/586583491.db2.gz GFOQCPYAIVNJCC-LBPRGKRZSA-N 1 0 239.334 3.409 20 10 BGCDRO CC[C@@H]([NH2+]CCCCF)c1ccc(C)cc1O ZINC000812736448 586583588 /nfs/dbraw/zinc/58/35/88/586583588.db2.gz GHGVSOKAZMSHCA-CYBMUJFWSA-N 1 0 239.334 3.491 20 10 BGCDRO CC[C@H]([NH2+]CCCCF)c1ccc(C)cc1O ZINC000812736449 586583553 /nfs/dbraw/zinc/58/35/53/586583553.db2.gz GHGVSOKAZMSHCA-ZDUSSCGKSA-N 1 0 239.334 3.491 20 10 BGCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCCC3)cc1 ZINC000813331308 586600356 /nfs/dbraw/zinc/60/03/56/586600356.db2.gz IUKBVKIVWVXYBO-UHFFFAOYSA-N 1 0 244.382 3.129 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000813856825 586608305 /nfs/dbraw/zinc/60/83/05/586608305.db2.gz CCOAQWRNCNGTJZ-AXAPSJFSSA-N 1 0 246.398 3.195 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000813856826 586608321 /nfs/dbraw/zinc/60/83/21/586608321.db2.gz CCOAQWRNCNGTJZ-DETPVDSQSA-N 1 0 246.398 3.195 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000813856827 586608280 /nfs/dbraw/zinc/60/82/80/586608280.db2.gz CCOAQWRNCNGTJZ-NORZTCDRSA-N 1 0 246.398 3.195 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000813856828 586608044 /nfs/dbraw/zinc/60/80/44/586608044.db2.gz CCOAQWRNCNGTJZ-PVXIVEMSSA-N 1 0 246.398 3.195 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@@H](C)[C@@H]1C ZINC000814169764 586615035 /nfs/dbraw/zinc/61/50/35/586615035.db2.gz MOOIWYRENRLBGL-DVOMOZLQSA-N 1 0 246.398 3.406 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@H](C)[C@@H]1C ZINC000814169765 586615179 /nfs/dbraw/zinc/61/51/79/586615179.db2.gz MOOIWYRENRLBGL-HEHGZKQESA-N 1 0 246.398 3.406 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@H](C)[C@H]1C ZINC000814169766 586615083 /nfs/dbraw/zinc/61/50/83/586615083.db2.gz MOOIWYRENRLBGL-WOSRLPQWSA-N 1 0 246.398 3.406 20 10 BGCDRO CCCN(c1ccc(C[NH3+])cc1)[C@@H]1C[C@@H](C)[C@H]1C ZINC000814169767 586615124 /nfs/dbraw/zinc/61/51/24/586615124.db2.gz MOOIWYRENRLBGL-XJKCOSOUSA-N 1 0 246.398 3.406 20 10 BGCDRO CC(C)[C@@H]1[N@H+](Cc2ccccc2O)CC12CCC2 ZINC000814171212 586615455 /nfs/dbraw/zinc/61/54/55/586615455.db2.gz KZVIUSPHNPKZBC-HNNXBMFYSA-N 1 0 245.366 3.403 20 10 BGCDRO CC(C)[C@H]1[N@H+](Cc2ccccc2O)CC12CCC2 ZINC000814171213 586615376 /nfs/dbraw/zinc/61/53/76/586615376.db2.gz KZVIUSPHNPKZBC-OAHLLOKOSA-N 1 0 245.366 3.403 20 10 BGCDRO Cc1cccc(C[NH+]2CCC(C3CC3)CC2)c1O ZINC000814172278 586615599 /nfs/dbraw/zinc/61/55/99/586615599.db2.gz GFZMGTZBMRXFDF-UHFFFAOYSA-N 1 0 245.366 3.323 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2CCC(C3CC3)CC2)c1 ZINC000814172290 586615553 /nfs/dbraw/zinc/61/55/53/586615553.db2.gz GVLVCGBBQNAAPG-UHFFFAOYSA-N 1 0 245.366 3.323 20 10 BGCDRO Oc1ccc(F)cc1C[NH+]1CCC(C2CC2)CC1 ZINC000814172691 586615299 /nfs/dbraw/zinc/61/52/99/586615299.db2.gz ZKMCYGUTVQURFK-UHFFFAOYSA-N 1 0 249.329 3.153 20 10 BGCDRO Oc1ccc(F)cc1C[NH+](C1CCC1)C1CCC1 ZINC000814177621 586616126 /nfs/dbraw/zinc/61/61/26/586616126.db2.gz IUTICVXEQNLNHB-UHFFFAOYSA-N 1 0 249.329 3.438 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000814178920 586615839 /nfs/dbraw/zinc/61/58/39/586615839.db2.gz IZUGMDJPPMXCIE-GFCCVEGCSA-N 1 0 239.746 3.338 20 10 BGCDRO CC[C@H]1CC[N@@H+]1Cc1cc(Cl)cc(C)c1O ZINC000814178921 586616092 /nfs/dbraw/zinc/61/60/92/586616092.db2.gz IZUGMDJPPMXCIE-LBPRGKRZSA-N 1 0 239.746 3.338 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)ccc1O ZINC000814179260 586615789 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ZINC000815054453 644949640 /nfs/dbraw/zinc/94/96/40/644949640.db2.gz GRCLUNZCRBQOIY-KBPBESRZSA-N 1 0 246.398 3.149 20 10 BGCDRO Cc1cc(C[N@H+]2C[C@H](C)[C@H](C)C2)ccc1N(C)C ZINC000815054454 644949214 /nfs/dbraw/zinc/94/92/14/644949214.db2.gz GRCLUNZCRBQOIY-OKILXGFUSA-N 1 0 246.398 3.149 20 10 BGCDRO Cc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)ccc1N(C)C ZINC000815054455 643521247 /nfs/dbraw/zinc/52/12/47/643521247.db2.gz GRCLUNZCRBQOIY-ZIAGYGMSSA-N 1 0 246.398 3.149 20 10 BGCDRO Cc1cc(C[N@H+](C)C2CCC2)ccc1N(C)C ZINC000815054820 644948931 /nfs/dbraw/zinc/94/89/31/644948931.db2.gz PZBROVYRKVDVAR-UHFFFAOYSA-N 1 0 232.371 3.045 20 10 BGCDRO Cc1cc(C[N@H+]2CCC[C@H]2C)ccc1N(C)C ZINC000815054893 644949992 /nfs/dbraw/zinc/94/99/92/644949992.db2.gz ODJNDALVTRUGAE-CYBMUJFWSA-N 1 0 232.371 3.045 20 10 BGCDRO Cc1cc(C[N@H+]2CCC[C@@H]2C)ccc1N(C)C ZINC000815054894 644949683 /nfs/dbraw/zinc/94/96/83/644949683.db2.gz ODJNDALVTRUGAE-ZDUSSCGKSA-N 1 0 232.371 3.045 20 10 BGCDRO Cc1cc(C[N@@H+]2CCC(C)(C)C2)ccc1N(C)C ZINC000815055380 644949814 /nfs/dbraw/zinc/94/98/14/644949814.db2.gz YSYAUKQYWBZMDZ-UHFFFAOYSA-N 1 0 246.398 3.293 20 10 BGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@H]2C)ccc1N(C)C ZINC000815057319 644949828 /nfs/dbraw/zinc/94/98/28/644949828.db2.gz ROLWSNMVPIRCSB-GXTWGEPZSA-N 1 0 246.398 3.291 20 10 BGCDRO Cc1cc(C[N@H+]2CC[C@H](C)[C@@H]2C)ccc1N(C)C ZINC000815057320 644948950 /nfs/dbraw/zinc/94/89/50/644948950.db2.gz ROLWSNMVPIRCSB-JSGCOSHPSA-N 1 0 246.398 3.291 20 10 BGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@@H]2C)ccc1N(C)C ZINC000815057321 644949853 /nfs/dbraw/zinc/94/98/53/644949853.db2.gz ROLWSNMVPIRCSB-OCCSQVGLSA-N 1 0 246.398 3.291 20 10 BGCDRO Cc1cc(C[N@H+]2CC[C@@H](C)[C@H]2C)ccc1N(C)C ZINC000815057322 644949570 /nfs/dbraw/zinc/94/95/70/644949570.db2.gz ROLWSNMVPIRCSB-TZMCWYRMSA-N 1 0 246.398 3.291 20 10 BGCDRO CC[C@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815060204 644948301 /nfs/dbraw/zinc/94/83/01/644948301.db2.gz QNCZFLUSVISCAT-AWEZNQCLSA-N 1 0 246.398 3.293 20 10 BGCDRO CC[C@@H]1CC[N@H+](Cc2ccc(N(C)C)c(C)c2)C1 ZINC000815060205 644949598 /nfs/dbraw/zinc/94/95/98/644949598.db2.gz QNCZFLUSVISCAT-CQSZACIVSA-N 1 0 246.398 3.293 20 10 BGCDRO Cc1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1N(C)C ZINC000815061403 644949487 /nfs/dbraw/zinc/94/94/87/644949487.db2.gz SVULMBMJDREFJU-KBPBESRZSA-N 1 0 246.398 3.434 20 10 BGCDRO Cc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1N(C)C ZINC000815061404 644949404 /nfs/dbraw/zinc/94/94/04/644949404.db2.gz SVULMBMJDREFJU-OKILXGFUSA-N 1 0 246.398 3.434 20 10 BGCDRO Cc1cc(C[NH+]2[C@H](C)CC[C@H]2C)ccc1N(C)C ZINC000815061405 644948749 /nfs/dbraw/zinc/94/87/49/644948749.db2.gz SVULMBMJDREFJU-ZIAGYGMSSA-N 1 0 246.398 3.434 20 10 BGCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815068511 586665179 /nfs/dbraw/zinc/66/51/79/586665179.db2.gz SRSOVXBRQFMTLO-CYBMUJFWSA-N 1 0 234.387 3.291 20 10 BGCDRO CC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000815068512 586665126 /nfs/dbraw/zinc/66/51/26/586665126.db2.gz SRSOVXBRQFMTLO-ZDUSSCGKSA-N 1 0 234.387 3.291 20 10 BGCDRO Cc1cc(C[N@H+](C)CCC2CC2)ccc1N(C)C ZINC000815074379 586665107 /nfs/dbraw/zinc/66/51/07/586665107.db2.gz QRGVMMANMXECBX-UHFFFAOYSA-N 1 0 246.398 3.293 20 10 BGCDRO Cc1cc(C[N@H+]2CC=C(C)CC2)ccc1N(C)C ZINC000815076162 586665341 /nfs/dbraw/zinc/66/53/41/586665341.db2.gz XKXABEJNSSEYKZ-UHFFFAOYSA-N 1 0 244.382 3.213 20 10 BGCDRO Cc1cc(C[NH2+]C2(C3CC3)CC2)ccc1N(C)C ZINC000815091935 586665634 /nfs/dbraw/zinc/66/56/34/586665634.db2.gz ZAOVUHGQCDYKHI-UHFFFAOYSA-N 1 0 244.382 3.093 20 10 BGCDRO Cc1cc(C[N@H+]2[C@H](C)C[C@@H]2C)ccc1N(C)C ZINC000815102478 586666506 /nfs/dbraw/zinc/66/65/06/586666506.db2.gz JOUKNILGWQMNCU-BETUJISGSA-N 1 0 232.371 3.044 20 10 BGCDRO Cc1cc(C[NH+]2[C@H](C)C[C@H]2C)ccc1N(C)C ZINC000815102479 586666831 /nfs/dbraw/zinc/66/68/31/586666831.db2.gz JOUKNILGWQMNCU-CHWSQXEVSA-N 1 0 232.371 3.044 20 10 BGCDRO Cc1cc(C[NH+]2[C@@H](C)C[C@@H]2C)ccc1N(C)C ZINC000815102480 586666870 /nfs/dbraw/zinc/66/68/70/586666870.db2.gz JOUKNILGWQMNCU-STQMWFEESA-N 1 0 232.371 3.044 20 10 BGCDRO Cc1cc(C[N@@H+]2CCC=C(C)C2)ccc1N(C)C ZINC000815107250 586667412 /nfs/dbraw/zinc/66/74/12/586667412.db2.gz MPLOHIOKKBNRDM-UHFFFAOYSA-N 1 0 244.382 3.213 20 10 BGCDRO CCN(C)c1ccc(C[N@@H+]2CCC=C(C)C2)cc1 ZINC000815108157 586667410 /nfs/dbraw/zinc/66/74/10/586667410.db2.gz YCGWXBDZQVDYEK-UHFFFAOYSA-N 1 0 244.382 3.295 20 10 BGCDRO CC(C)(C)C1CC([NH2+]Cc2ccccc2O)C1 ZINC000815146773 586670111 /nfs/dbraw/zinc/67/01/11/586670111.db2.gz KZTFDLUAEGRKOO-UHFFFAOYSA-N 1 0 233.355 3.307 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2(C(C)C)CC2)cc1C ZINC000815150826 586670316 /nfs/dbraw/zinc/67/03/16/586670316.db2.gz FKFAOXXRYAUEMJ-UHFFFAOYSA-N 1 0 233.355 3.287 20 10 BGCDRO CCOc1ccc(C[NH2+]C2(C(C)C)CC2)c(O)c1 ZINC000815151991 586670234 /nfs/dbraw/zinc/67/02/34/586670234.db2.gz XEGMICYWFUJJAC-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2CCC2)c(O)c1 ZINC000815567396 586687702 /nfs/dbraw/zinc/68/77/02/586687702.db2.gz WVZJOYJGHQTFFD-GFCCVEGCSA-N 1 0 233.355 3.460 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2CCC2)c(O)c1 ZINC000815567397 586687551 /nfs/dbraw/zinc/68/75/51/586687551.db2.gz WVZJOYJGHQTFFD-LBPRGKRZSA-N 1 0 233.355 3.460 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC2(C)CC2)c(O)c1 ZINC000815595541 586688651 /nfs/dbraw/zinc/68/86/51/586688651.db2.gz URSSQPTZHITSGX-GFCCVEGCSA-N 1 0 233.355 3.460 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC2(C)CC2)c(O)c1 ZINC000815595542 586688630 /nfs/dbraw/zinc/68/86/30/586688630.db2.gz URSSQPTZHITSGX-LBPRGKRZSA-N 1 0 233.355 3.460 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H]2C)c(O)c1 ZINC000815625742 586689159 /nfs/dbraw/zinc/68/91/59/586689159.db2.gz LBPWYJXRVCMSIJ-DRZSPHRISA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H]2C)c(O)c1 ZINC000815625743 586689461 /nfs/dbraw/zinc/68/94/61/586689461.db2.gz LBPWYJXRVCMSIJ-KGYLQXTDSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)c(O)c1 ZINC000815625744 586689143 /nfs/dbraw/zinc/68/91/43/586689143.db2.gz LBPWYJXRVCMSIJ-WCFLWFBJSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC[C@H]2C)c(O)c1 ZINC000815625745 586689302 /nfs/dbraw/zinc/68/93/02/586689302.db2.gz LBPWYJXRVCMSIJ-WXHSDQCUSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCCF)c(O)c1 ZINC000815627715 586689211 /nfs/dbraw/zinc/68/92/11/586689211.db2.gz HIQXCBKNUGCWQQ-GFCCVEGCSA-N 1 0 239.334 3.409 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCCF)c(O)c1 ZINC000815627716 586689333 /nfs/dbraw/zinc/68/93/33/586689333.db2.gz HIQXCBKNUGCWQQ-LBPRGKRZSA-N 1 0 239.334 3.409 20 10 BGCDRO CC[C@H]([NH2+]CC[C@H](C)F)c1ccc(C)cc1O ZINC000815645343 586690335 /nfs/dbraw/zinc/69/03/35/586690335.db2.gz CFQIURMXAXHUHY-AAEUAGOBSA-N 1 0 239.334 3.489 20 10 BGCDRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1ccc(C)cc1O ZINC000815645344 586690405 /nfs/dbraw/zinc/69/04/05/586690405.db2.gz CFQIURMXAXHUHY-DGCLKSJQSA-N 1 0 239.334 3.489 20 10 BGCDRO CC[C@@H]([NH2+]CC[C@H](C)F)c1ccc(C)cc1O ZINC000815645345 586690167 /nfs/dbraw/zinc/69/01/67/586690167.db2.gz CFQIURMXAXHUHY-WCQYABFASA-N 1 0 239.334 3.489 20 10 BGCDRO CC[C@H]([NH2+]CC[C@@H](C)F)c1ccc(C)cc1O ZINC000815645346 586690069 /nfs/dbraw/zinc/69/00/69/586690069.db2.gz CFQIURMXAXHUHY-YPMHNXCESA-N 1 0 239.334 3.489 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H](C)F)c(O)c1 ZINC000815645446 586690421 /nfs/dbraw/zinc/69/04/21/586690421.db2.gz FYCPMJGQDIYFRN-NEPJUHHUSA-N 1 0 239.334 3.408 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H](C)F)c(O)c1 ZINC000815645447 586690066 /nfs/dbraw/zinc/69/00/66/586690066.db2.gz FYCPMJGQDIYFRN-NWDGAFQWSA-N 1 0 239.334 3.408 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC[C@H](C)F)c(O)c1 ZINC000815645448 586690367 /nfs/dbraw/zinc/69/03/67/586690367.db2.gz FYCPMJGQDIYFRN-RYUDHWBXSA-N 1 0 239.334 3.408 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H](C)F)c(O)c1 ZINC000815645449 586690159 /nfs/dbraw/zinc/69/01/59/586690159.db2.gz FYCPMJGQDIYFRN-VXGBXAGGSA-N 1 0 239.334 3.408 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)c(O)c1C ZINC000815645865 586690203 /nfs/dbraw/zinc/69/02/03/586690203.db2.gz SLIPPKHZOVJCCD-CMPLNLGQSA-N 1 0 239.334 3.408 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)F)c(O)c1C ZINC000815645866 586690029 /nfs/dbraw/zinc/69/00/29/586690029.db2.gz SLIPPKHZOVJCCD-JQWIXIFHSA-N 1 0 239.334 3.408 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)c(O)c1C ZINC000815645867 586690107 /nfs/dbraw/zinc/69/01/07/586690107.db2.gz SLIPPKHZOVJCCD-PWSUYJOCSA-N 1 0 239.334 3.408 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)c(O)c1C ZINC000815645868 586690339 /nfs/dbraw/zinc/69/03/39/586690339.db2.gz SLIPPKHZOVJCCD-ZYHUDNBSSA-N 1 0 239.334 3.408 20 10 BGCDRO CCC[N@H+](CC)Cc1cc(Cl)c(F)cc1[O-] ZINC000816478033 586735183 /nfs/dbraw/zinc/73/51/83/586735183.db2.gz RTMUNAGAMZXWEY-UHFFFAOYSA-N 1 0 245.725 3.417 20 10 BGCDRO CCCC[N@H+](C)Cc1cc(Cl)c(F)cc1[O-] ZINC000816480504 586734860 /nfs/dbraw/zinc/73/48/60/586734860.db2.gz OILBXSIWRFEISG-UHFFFAOYSA-N 1 0 245.725 3.417 20 10 BGCDRO CCC[N@H+](C)Cc1ccc2ccccc2c1O ZINC000816483745 586735566 /nfs/dbraw/zinc/73/55/66/586735566.db2.gz CQDJKSZSVMOEHU-UHFFFAOYSA-N 1 0 229.323 3.387 20 10 BGCDRO C[N@H+](Cc1ccc2ccccc2c1O)C1CC1 ZINC000816487500 586735470 /nfs/dbraw/zinc/73/54/70/586735470.db2.gz PCEGURLSBUECEK-UHFFFAOYSA-N 1 0 227.307 3.140 20 10 BGCDRO C[N@@H+](Cc1ccc2ccccc2c1O)CC1CC1 ZINC000816493507 586736881 /nfs/dbraw/zinc/73/68/81/586736881.db2.gz DXTCIGXWHPLDQQ-UHFFFAOYSA-N 1 0 241.334 3.387 20 10 BGCDRO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816496219 586736836 /nfs/dbraw/zinc/73/68/36/586736836.db2.gz APWCRKGGHJNUJL-GFCCVEGCSA-N 1 0 241.334 3.387 20 10 BGCDRO C[C@H]1CC[N@H+](Cc2ccc3ccccc3c2O)C1 ZINC000816496220 586736673 /nfs/dbraw/zinc/73/66/73/586736673.db2.gz APWCRKGGHJNUJL-LBPRGKRZSA-N 1 0 241.334 3.387 20 10 BGCDRO CC(C)C[NH2+]Cc1ccc2ccccc2c1O ZINC000816528798 586738924 /nfs/dbraw/zinc/73/89/24/586738924.db2.gz RSWSJFLUORZMPZ-UHFFFAOYSA-N 1 0 229.323 3.291 20 10 BGCDRO CCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816529556 586739536 /nfs/dbraw/zinc/73/95/36/586739536.db2.gz XKIHXPUABZXPJX-UHFFFAOYSA-N 1 0 215.296 3.045 20 10 BGCDRO C[C@@H]([NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000816529638 586739112 /nfs/dbraw/zinc/73/91/12/586739112.db2.gz AMHZQVIYLCYLKW-LLVKDONJSA-N 1 0 241.334 3.434 20 10 BGCDRO C[C@H]([NH2+]Cc1ccc2ccccc2c1O)C1CC1 ZINC000816529639 586739093 /nfs/dbraw/zinc/73/90/93/586739093.db2.gz AMHZQVIYLCYLKW-NSHDSACASA-N 1 0 241.334 3.434 20 10 BGCDRO CCCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816531163 586739564 /nfs/dbraw/zinc/73/95/64/586739564.db2.gz HSVXBPNZVIUCSN-UHFFFAOYSA-N 1 0 229.323 3.435 20 10 BGCDRO CC(C)[NH2+]Cc1ccc2ccccc2c1O ZINC000816531300 586737505 /nfs/dbraw/zinc/73/75/05/586737505.db2.gz MTOATJSRLFCMCG-UHFFFAOYSA-N 1 0 215.296 3.043 20 10 BGCDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816535043 586739297 /nfs/dbraw/zinc/73/92/97/586739297.db2.gz CTOSBXJRUJDHTO-BXUZGUMPSA-N 1 0 241.334 3.291 20 10 BGCDRO C[C@H]1C[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816535044 586739116 /nfs/dbraw/zinc/73/91/16/586739116.db2.gz CTOSBXJRUJDHTO-FZMZJTMJSA-N 1 0 241.334 3.291 20 10 BGCDRO C[C@@H]1C[C@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816535045 586739393 /nfs/dbraw/zinc/73/93/93/586739393.db2.gz CTOSBXJRUJDHTO-RISCZKNCSA-N 1 0 241.334 3.291 20 10 BGCDRO C[C@H]1C[C@@H]1C[NH2+]Cc1ccc2ccccc2c1O ZINC000816535046 586739193 /nfs/dbraw/zinc/73/91/93/586739193.db2.gz CTOSBXJRUJDHTO-SMDDNHRTSA-N 1 0 241.334 3.291 20 10 BGCDRO Oc1c(C[NH2+]CC2CCC2)ccc2ccccc21 ZINC000816542607 586739840 /nfs/dbraw/zinc/73/98/40/586739840.db2.gz VOIAMHZXIRVPTK-UHFFFAOYSA-N 1 0 241.334 3.435 20 10 BGCDRO CC1=CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000816545452 586739896 /nfs/dbraw/zinc/73/98/96/586739896.db2.gz RKBJOPGDQFGVPO-HNNXBMFYSA-N 1 0 243.350 3.210 20 10 BGCDRO CC1=CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000816545453 586739754 /nfs/dbraw/zinc/73/97/54/586739754.db2.gz RKBJOPGDQFGVPO-OAHLLOKOSA-N 1 0 243.350 3.210 20 10 BGCDRO Oc1c(C[NH2+]CCC2CC2)ccc2ccccc21 ZINC000816554524 586740891 /nfs/dbraw/zinc/74/08/91/586740891.db2.gz AUBJMJXVRBSBTM-UHFFFAOYSA-N 1 0 241.334 3.435 20 10 BGCDRO CC1(C[NH2+]Cc2ccc3ccccc3c2O)CC1 ZINC000816555920 586740790 /nfs/dbraw/zinc/74/07/90/586740790.db2.gz UIOOXRSWLNSQGD-UHFFFAOYSA-N 1 0 241.334 3.435 20 10 BGCDRO Oc1c(C[N@H+]2CC=CCC2)ccc2ccccc21 ZINC000816564790 586740507 /nfs/dbraw/zinc/74/05/07/586740507.db2.gz PYZDWOPFTOIQLB-UHFFFAOYSA-N 1 0 239.318 3.307 20 10 BGCDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816609638 586743837 /nfs/dbraw/zinc/74/38/37/586743837.db2.gz ICFIZEVTBLCDLE-ABAIWWIYSA-N 1 0 241.334 3.434 20 10 BGCDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816609639 586744184 /nfs/dbraw/zinc/74/41/84/586744184.db2.gz ICFIZEVTBLCDLE-IAQYHMDHSA-N 1 0 241.334 3.434 20 10 BGCDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816609640 586743953 /nfs/dbraw/zinc/74/39/53/586743953.db2.gz ICFIZEVTBLCDLE-NHYWBVRUSA-N 1 0 241.334 3.434 20 10 BGCDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc2ccccc2c1O ZINC000816609641 586743783 /nfs/dbraw/zinc/74/37/83/586743783.db2.gz ICFIZEVTBLCDLE-XHDPSFHLSA-N 1 0 241.334 3.434 20 10 BGCDRO Oc1c(C[NH2+]CCCCF)ccc2ccccc21 ZINC000816615903 586744619 /nfs/dbraw/zinc/74/46/19/586744619.db2.gz IWBYNDJEAJZLAG-UHFFFAOYSA-N 1 0 247.313 3.385 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816616661 586744398 /nfs/dbraw/zinc/74/43/98/586744398.db2.gz BXAJJTBQFNBNNR-SECBINFHSA-N 1 0 243.709 3.169 20 10 BGCDRO CC[C@H]1CC[N@@H+]1Cc1cc(Cl)c(F)cc1[O-] ZINC000816616662 586744828 /nfs/dbraw/zinc/74/48/28/586744828.db2.gz BXAJJTBQFNBNNR-VIFPVBQESA-N 1 0 243.709 3.169 20 10 BGCDRO CC(C)[C@@H]1[N@H+](Cc2ccccc2O)CC1(C)C ZINC000816625008 586745957 /nfs/dbraw/zinc/74/59/57/586745957.db2.gz OBUGKRAJDPLWQQ-AWEZNQCLSA-N 1 0 233.355 3.259 20 10 BGCDRO CC(C)[C@H]1[N@H+](Cc2ccccc2O)CC1(C)C ZINC000816625009 586746374 /nfs/dbraw/zinc/74/63/74/586746374.db2.gz OBUGKRAJDPLWQQ-CQSZACIVSA-N 1 0 233.355 3.259 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+]CC[C@@H](C)F)c1O ZINC000816643883 586747615 /nfs/dbraw/zinc/74/76/15/586747615.db2.gz ULDFLKIMMXZMAR-SECBINFHSA-N 1 0 245.725 3.192 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+]CC[C@H](C)F)c1O ZINC000816643884 586748026 /nfs/dbraw/zinc/74/80/26/586748026.db2.gz ULDFLKIMMXZMAR-VIFPVBQESA-N 1 0 245.725 3.192 20 10 BGCDRO C[C@@H](F)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816643924 586748248 /nfs/dbraw/zinc/74/82/48/586748248.db2.gz WAMIYOHKUDDRJE-LLVKDONJSA-N 1 0 247.313 3.383 20 10 BGCDRO C[C@H](F)CC[NH2+]Cc1ccc2ccccc2c1O ZINC000816643925 586748145 /nfs/dbraw/zinc/74/81/45/586748145.db2.gz WAMIYOHKUDDRJE-NSHDSACASA-N 1 0 247.313 3.383 20 10 BGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@@H]2C)cc1 ZINC000816646602 586748643 /nfs/dbraw/zinc/74/86/43/586748643.db2.gz GIDKEURBSOJOGZ-KBPBESRZSA-N 1 0 246.398 3.373 20 10 BGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H]2C)cc1 ZINC000816646603 586748505 /nfs/dbraw/zinc/74/85/05/586748505.db2.gz GIDKEURBSOJOGZ-KGLIPLIRSA-N 1 0 246.398 3.373 20 10 BGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@H](C)[C@H]2C)cc1 ZINC000816646604 586748886 /nfs/dbraw/zinc/74/88/86/586748886.db2.gz GIDKEURBSOJOGZ-UONOGXRCSA-N 1 0 246.398 3.373 20 10 BGCDRO CCN(CC)c1ccc(C[N@@H+]2C[C@@H](C)[C@H]2C)cc1 ZINC000816646605 586749505 /nfs/dbraw/zinc/74/95/05/586749505.db2.gz GIDKEURBSOJOGZ-ZIAGYGMSSA-N 1 0 246.398 3.373 20 10 BGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)[C@H]1C ZINC000816647063 586749451 /nfs/dbraw/zinc/74/94/51/586749451.db2.gz NDGPARXWLSSQCK-NEPJUHHUSA-N 1 0 241.334 3.386 20 10 BGCDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1ccc2ccccc2c1O ZINC000816647064 586749530 /nfs/dbraw/zinc/74/95/30/586749530.db2.gz NDGPARXWLSSQCK-NWDGAFQWSA-N 1 0 241.334 3.386 20 10 BGCDRO C[C@H]1C[N@H+](Cc2ccc3ccccc3c2O)[C@H]1C ZINC000816647065 586748877 /nfs/dbraw/zinc/74/88/77/586748877.db2.gz NDGPARXWLSSQCK-RYUDHWBXSA-N 1 0 241.334 3.386 20 10 BGCDRO C[C@@H]1C[N@H+](Cc2ccc3ccccc3c2O)[C@@H]1C ZINC000816647066 586748625 /nfs/dbraw/zinc/74/86/25/586748625.db2.gz NDGPARXWLSSQCK-VXGBXAGGSA-N 1 0 241.334 3.386 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2CC=CC2)c(Cl)c1 ZINC000817408211 586801317 /nfs/dbraw/zinc/80/13/17/586801317.db2.gz GEPLJWSPVVZMOQ-UHFFFAOYSA-N 1 0 237.730 3.162 20 10 BGCDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000817585961 586812569 /nfs/dbraw/zinc/81/25/69/586812569.db2.gz KFPQPJNNKMQRJH-FRRDWIJNSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000817585962 586812726 /nfs/dbraw/zinc/81/27/26/586812726.db2.gz KFPQPJNNKMQRJH-JHJVBQTASA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000817585964 586812655 /nfs/dbraw/zinc/81/26/55/586812655.db2.gz KFPQPJNNKMQRJH-RWMBFGLXSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000817585965 586812650 /nfs/dbraw/zinc/81/26/50/586812650.db2.gz KFPQPJNNKMQRJH-YNEHKIRRSA-N 1 0 249.354 3.000 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc(N)cc2)o1 ZINC000817955454 586849969 /nfs/dbraw/zinc/84/99/69/586849969.db2.gz BFYNNBBUTPIWJM-GFCCVEGCSA-N 1 0 244.338 3.064 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc(N)cc2)o1 ZINC000817955455 586849694 /nfs/dbraw/zinc/84/96/94/586849694.db2.gz BFYNNBBUTPIWJM-LBPRGKRZSA-N 1 0 244.338 3.064 20 10 BGCDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCc1ccc(N)cc1 ZINC000817955733 586849966 /nfs/dbraw/zinc/84/99/66/586849966.db2.gz GNVRYFXQNMBVBY-CHWSQXEVSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCc1ccc(N)cc1 ZINC000817955734 586849803 /nfs/dbraw/zinc/84/98/03/586849803.db2.gz GNVRYFXQNMBVBY-STQMWFEESA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955735 586849586 /nfs/dbraw/zinc/84/95/86/586849586.db2.gz GNVRYFXQNMBVBY-VIKVFOODSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccsc1 ZINC000817955996 586849561 /nfs/dbraw/zinc/84/95/61/586849561.db2.gz NEMXCYJWWXIDOD-LLVKDONJSA-N 1 0 246.379 3.224 20 10 BGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccsc1 ZINC000817955997 586850114 /nfs/dbraw/zinc/85/01/14/586850114.db2.gz NEMXCYJWWXIDOD-NSHDSACASA-N 1 0 246.379 3.224 20 10 BGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cccs1 ZINC000817955998 586850055 /nfs/dbraw/zinc/85/00/55/586850055.db2.gz NFBOYNWXYWHOTF-LLVKDONJSA-N 1 0 246.379 3.224 20 10 BGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cccs1 ZINC000817955999 586850085 /nfs/dbraw/zinc/85/00/85/586850085.db2.gz NFBOYNWXYWHOTF-NSHDSACASA-N 1 0 246.379 3.224 20 10 BGCDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956669 586850382 /nfs/dbraw/zinc/85/03/82/586850382.db2.gz AJKOAHYZSMDDTO-GDBMZVCRSA-N 1 0 246.398 3.370 20 10 BGCDRO CC[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956670 586850822 /nfs/dbraw/zinc/85/08/22/586850822.db2.gz AJKOAHYZSMDDTO-GOEBONIOSA-N 1 0 246.398 3.370 20 10 BGCDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956671 586850646 /nfs/dbraw/zinc/85/06/46/586850646.db2.gz AJKOAHYZSMDDTO-HOCLYGCPSA-N 1 0 246.398 3.370 20 10 BGCDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956672 586850815 /nfs/dbraw/zinc/85/08/15/586850815.db2.gz AJKOAHYZSMDDTO-ZBFHGGJFSA-N 1 0 246.398 3.370 20 10 BGCDRO Nc1ccc(CC[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000817956689 586850674 /nfs/dbraw/zinc/85/06/74/586850674.db2.gz APIRCSLWALZYHR-HNNXBMFYSA-N 1 0 244.382 3.124 20 10 BGCDRO Nc1ccc(CC[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000817956690 586850536 /nfs/dbraw/zinc/85/05/36/586850536.db2.gz APIRCSLWALZYHR-OAHLLOKOSA-N 1 0 244.382 3.124 20 10 BGCDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956706 586850834 /nfs/dbraw/zinc/85/08/34/586850834.db2.gz AYDJWNOYGXJXAT-CABCVRRESA-N 1 0 246.398 3.226 20 10 BGCDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956707 586850810 /nfs/dbraw/zinc/85/08/10/586850810.db2.gz AYDJWNOYGXJXAT-GJZGRUSLSA-N 1 0 246.398 3.226 20 10 BGCDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956708 586850460 /nfs/dbraw/zinc/85/04/60/586850460.db2.gz AYDJWNOYGXJXAT-HUUCEWRRSA-N 1 0 246.398 3.226 20 10 BGCDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817956709 586850738 /nfs/dbraw/zinc/85/07/38/586850738.db2.gz AYDJWNOYGXJXAT-LSDHHAIUSA-N 1 0 246.398 3.226 20 10 BGCDRO CCC(C)(C)[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957270 586850768 /nfs/dbraw/zinc/85/07/68/586850768.db2.gz KMDKDIWMEQFOPA-GFCCVEGCSA-N 1 0 234.387 3.226 20 10 BGCDRO CCC(C)(C)[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817957271 586850732 /nfs/dbraw/zinc/85/07/32/586850732.db2.gz KMDKDIWMEQFOPA-LBPRGKRZSA-N 1 0 234.387 3.226 20 10 BGCDRO CCC[C@H]([NH2+]CCc1ccc(N)cc1)C1CCC1 ZINC000817957384 586850352 /nfs/dbraw/zinc/85/03/52/586850352.db2.gz LSKALDTUOMGFDC-INIZCTEOSA-N 1 0 246.398 3.370 20 10 BGCDRO CCC[C@@H]([NH2+]CCc1ccc(N)cc1)C1CCC1 ZINC000817957386 586850794 /nfs/dbraw/zinc/85/07/94/586850794.db2.gz LSKALDTUOMGFDC-MRXNPFEDSA-N 1 0 246.398 3.370 20 10 BGCDRO C[C@H](CC(C)(C)C)[NH2+]CCc1ccc(N)cc1 ZINC000817957700 586850662 /nfs/dbraw/zinc/85/06/62/586850662.db2.gz OJPODMLMXKFWAZ-GFCCVEGCSA-N 1 0 234.387 3.226 20 10 BGCDRO C[C@@H](CC(C)(C)C)[NH2+]CCc1ccc(N)cc1 ZINC000817957701 584992353 /nfs/dbraw/zinc/99/23/53/584992353.db2.gz OJPODMLMXKFWAZ-LBPRGKRZSA-N 1 0 234.387 3.226 20 10 BGCDRO CC[C@H]([NH2+]CCc1ccc(N)cc1)C1CCCC1 ZINC000817958440 586850780 /nfs/dbraw/zinc/85/07/80/586850780.db2.gz WADBFUMNEMPTIL-INIZCTEOSA-N 1 0 246.398 3.370 20 10 BGCDRO CC[C@@H]([NH2+]CCc1ccc(N)cc1)C1CCCC1 ZINC000817958442 586850840 /nfs/dbraw/zinc/85/08/40/586850840.db2.gz WADBFUMNEMPTIL-MRXNPFEDSA-N 1 0 246.398 3.370 20 10 BGCDRO C[C@@H]1CC[C@H](C)[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817958744 586850838 /nfs/dbraw/zinc/85/08/38/586850838.db2.gz XTHBHSGDQZHUHL-DVOMOZLQSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817958746 586850560 /nfs/dbraw/zinc/85/05/60/586850560.db2.gz XTHBHSGDQZHUHL-IOASZLSFSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817958748 586850696 /nfs/dbraw/zinc/85/06/96/586850696.db2.gz XTHBHSGDQZHUHL-WWGRRREGSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817958750 586850642 /nfs/dbraw/zinc/85/06/42/586850642.db2.gz XTHBHSGDQZHUHL-XJKCOSOUSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817958812 586851952 /nfs/dbraw/zinc/85/19/52/586851952.db2.gz YOYZROAXSUBLFE-DOMZBBRYSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817958813 586851258 /nfs/dbraw/zinc/85/12/58/586851258.db2.gz YOYZROAXSUBLFE-IUODEOHRSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817958814 586851524 /nfs/dbraw/zinc/85/15/24/586851524.db2.gz YOYZROAXSUBLFE-SWLSCSKDSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817958815 586851337 /nfs/dbraw/zinc/85/13/37/586851337.db2.gz YOYZROAXSUBLFE-WFASDCNBSA-N 1 0 246.398 3.226 20 10 BGCDRO CC1(C)CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817958858 586851420 /nfs/dbraw/zinc/85/14/20/586851420.db2.gz ZXPKDNJWTSSZGZ-HNNXBMFYSA-N 1 0 246.398 3.370 20 10 BGCDRO CC1(C)CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000817958859 586851249 /nfs/dbraw/zinc/85/12/49/586851249.db2.gz ZXPKDNJWTSSZGZ-OAHLLOKOSA-N 1 0 246.398 3.370 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000818220235 586879981 /nfs/dbraw/zinc/87/99/81/586879981.db2.gz FKZWNVQZNZJKGO-ZFWWWQNUSA-N 1 0 245.366 3.226 20 10 BGCDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1C ZINC000818229701 586880436 /nfs/dbraw/zinc/88/04/36/586880436.db2.gz ARNSWQADUWUYGW-LSDHHAIUSA-N 1 0 245.366 3.282 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1 ZINC000818230652 586880768 /nfs/dbraw/zinc/88/07/68/586880768.db2.gz RBDVTHOAHLKVFL-JKSUJKDBSA-N 1 0 244.382 3.031 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1C ZINC000818231579 586880395 /nfs/dbraw/zinc/88/03/95/586880395.db2.gz YGNSBVIZUDRKAJ-LSDHHAIUSA-N 1 0 245.366 3.287 20 10 BGCDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccccc1O ZINC000818344317 586887747 /nfs/dbraw/zinc/88/77/47/586887747.db2.gz CHLIHJTVUQEHTF-WHOFXGATSA-N 1 0 245.366 3.479 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccccc1O ZINC000818344318 586887337 /nfs/dbraw/zinc/88/73/37/586887337.db2.gz CHLIHJTVUQEHTF-ZLDLUXBVSA-N 1 0 245.366 3.479 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC12CC2)c1cc(Cl)ccc1O ZINC000818355017 586888495 /nfs/dbraw/zinc/88/84/95/586888495.db2.gz ABLWQEXWBSUAPZ-PELKAZGASA-N 1 0 237.730 3.249 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC12CC2)c1cc(Cl)ccc1O ZINC000818355018 586888472 /nfs/dbraw/zinc/88/84/72/586888472.db2.gz ABLWQEXWBSUAPZ-PRHODGIISA-N 1 0 237.730 3.249 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC12CC2)c1cc(Cl)ccc1O ZINC000818355019 586888378 /nfs/dbraw/zinc/88/83/78/586888378.db2.gz ABLWQEXWBSUAPZ-QPUJVOFHSA-N 1 0 237.730 3.249 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC12CC2)c1cc(Cl)ccc1O ZINC000818355020 586888539 /nfs/dbraw/zinc/88/85/39/586888539.db2.gz ABLWQEXWBSUAPZ-UFBFGSQYSA-N 1 0 237.730 3.249 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1O ZINC000818355040 586888554 /nfs/dbraw/zinc/88/85/54/586888554.db2.gz APCXIRNMKLWWDN-DDTOSNHZSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccccc1O ZINC000818355041 586888412 /nfs/dbraw/zinc/88/84/12/586888412.db2.gz APCXIRNMKLWWDN-LEWSCRJBSA-N 1 0 231.339 3.231 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC23CC3)c(O)c1 ZINC000818355460 586888070 /nfs/dbraw/zinc/88/80/70/586888070.db2.gz GBVKEZQBQWAVOC-AAEUAGOBSA-N 1 0 231.339 3.212 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CC23CC3)c(O)c1 ZINC000818355464 586888236 /nfs/dbraw/zinc/88/82/36/586888236.db2.gz GBVKEZQBQWAVOC-DGCLKSJQSA-N 1 0 231.339 3.212 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CC23CC3)c(O)c1 ZINC000818355465 586888437 /nfs/dbraw/zinc/88/84/37/586888437.db2.gz GBVKEZQBQWAVOC-WCQYABFASA-N 1 0 231.339 3.212 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC23CC3)c(O)c1 ZINC000818355467 586888479 /nfs/dbraw/zinc/88/84/79/586888479.db2.gz GBVKEZQBQWAVOC-YPMHNXCESA-N 1 0 231.339 3.212 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cc(F)ccc1O ZINC000818355602 586888459 /nfs/dbraw/zinc/88/84/59/586888459.db2.gz HVHQOLXYOUDNTJ-BIGNPOOSSA-N 1 0 249.329 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cc(F)ccc1O ZINC000818355606 586888207 /nfs/dbraw/zinc/88/82/07/586888207.db2.gz HVHQOLXYOUDNTJ-QCZZGDTMSA-N 1 0 249.329 3.371 20 10 BGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000818356043 586887966 /nfs/dbraw/zinc/88/79/66/586887966.db2.gz IBBUVOZWWFAZHM-DOMZBBRYSA-N 1 0 244.382 3.346 20 10 BGCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000818356045 586888271 /nfs/dbraw/zinc/88/82/71/586888271.db2.gz IBBUVOZWWFAZHM-IUODEOHRSA-N 1 0 244.382 3.346 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1 ZINC000818356046 586888435 /nfs/dbraw/zinc/88/84/35/586888435.db2.gz IBBUVOZWWFAZHM-SWLSCSKDSA-N 1 0 244.382 3.346 20 10 BGCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1 ZINC000818356048 586888268 /nfs/dbraw/zinc/88/82/68/586888268.db2.gz IBBUVOZWWFAZHM-WFASDCNBSA-N 1 0 244.382 3.346 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)CC2 ZINC000818356633 586889148 /nfs/dbraw/zinc/88/91/48/586889148.db2.gz OZXVJJPSEACQNP-BFHYXJOUSA-N 1 0 243.350 3.158 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)CC2 ZINC000818356635 586888870 /nfs/dbraw/zinc/88/88/70/586888870.db2.gz OZXVJJPSEACQNP-MELADBBJSA-N 1 0 243.350 3.158 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)c(O)c1C ZINC000818356885 586888726 /nfs/dbraw/zinc/88/87/26/586888726.db2.gz SDSKATAUOIKPHD-AAEUAGOBSA-N 1 0 231.339 3.212 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)c(O)c1C ZINC000818356887 586889230 /nfs/dbraw/zinc/88/92/30/586889230.db2.gz SDSKATAUOIKPHD-DGCLKSJQSA-N 1 0 231.339 3.212 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)c(O)c1C ZINC000818356889 586888701 /nfs/dbraw/zinc/88/87/01/586888701.db2.gz SDSKATAUOIKPHD-WCQYABFASA-N 1 0 231.339 3.212 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)c(O)c1C ZINC000818356890 586889116 /nfs/dbraw/zinc/88/91/16/586889116.db2.gz SDSKATAUOIKPHD-YPMHNXCESA-N 1 0 231.339 3.212 20 10 BGCDRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000818357023 586888955 /nfs/dbraw/zinc/88/89/55/586888955.db2.gz VNPZQMSRLBATDQ-CABCVRRESA-N 1 0 244.382 3.346 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000818357025 586889137 /nfs/dbraw/zinc/88/91/37/586889137.db2.gz VNPZQMSRLBATDQ-GJZGRUSLSA-N 1 0 244.382 3.346 20 10 BGCDRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000818357027 586889285 /nfs/dbraw/zinc/88/92/85/586889285.db2.gz VNPZQMSRLBATDQ-HUUCEWRRSA-N 1 0 244.382 3.346 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(N(C)C)cc1 ZINC000818357029 586888947 /nfs/dbraw/zinc/88/89/47/586888947.db2.gz VNPZQMSRLBATDQ-LSDHHAIUSA-N 1 0 244.382 3.346 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC3)c2c1c(F)ccc2O ZINC000818357183 586888908 /nfs/dbraw/zinc/88/89/08/586888908.db2.gz WFGMZMMPENHZHG-HLUHBDAQSA-N 1 0 247.313 3.222 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC3)c2c1c(F)ccc2O ZINC000818357184 586888990 /nfs/dbraw/zinc/88/89/90/586888990.db2.gz WFGMZMMPENHZHG-QRTLGDNMSA-N 1 0 247.313 3.222 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC3)c2c1c(F)ccc2O ZINC000818357185 586889331 /nfs/dbraw/zinc/88/93/31/586889331.db2.gz WFGMZMMPENHZHG-UBHAPETDSA-N 1 0 247.313 3.222 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC3)c2c1c(F)ccc2O ZINC000818357186 586888914 /nfs/dbraw/zinc/88/89/14/586888914.db2.gz WFGMZMMPENHZHG-UISBYWKRSA-N 1 0 247.313 3.222 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CC12CC2)c1ccc(C)cc1O ZINC000818357213 586888995 /nfs/dbraw/zinc/88/89/95/586888995.db2.gz WSMVJPYLZFVFQP-GXTWGEPZSA-N 1 0 231.339 3.294 20 10 BGCDRO CC[C@H]([NH2+][C@H]1CC12CC2)c1ccc(C)cc1O ZINC000818357214 586889084 /nfs/dbraw/zinc/88/90/84/586889084.db2.gz WSMVJPYLZFVFQP-JSGCOSHPSA-N 1 0 231.339 3.294 20 10 BGCDRO CC[C@@H]([NH2+][C@H]1CC12CC2)c1ccc(C)cc1O ZINC000818357215 586889282 /nfs/dbraw/zinc/88/92/82/586889282.db2.gz WSMVJPYLZFVFQP-OCCSQVGLSA-N 1 0 231.339 3.294 20 10 BGCDRO CC[C@@H]([NH2+][C@@H]1CC12CC2)c1ccc(C)cc1O ZINC000818357216 586888775 /nfs/dbraw/zinc/88/87/75/586888775.db2.gz WSMVJPYLZFVFQP-TZMCWYRMSA-N 1 0 231.339 3.294 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(O)c1C ZINC000818359315 586888799 /nfs/dbraw/zinc/88/87/99/586888799.db2.gz IWDJFCJMUBIPAT-FQUUOJAGSA-N 1 0 245.366 3.458 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(O)c1C ZINC000818359316 586889309 /nfs/dbraw/zinc/88/93/09/586889309.db2.gz IWDJFCJMUBIPAT-YIYPIFLZSA-N 1 0 245.366 3.458 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(O)c1 ZINC000818361648 586889807 /nfs/dbraw/zinc/88/98/07/586889807.db2.gz YEQHTBHEGJFCIC-FQUUOJAGSA-N 1 0 245.366 3.458 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(O)c1 ZINC000818361649 586889677 /nfs/dbraw/zinc/88/96/77/586889677.db2.gz YEQHTBHEGJFCIC-YIYPIFLZSA-N 1 0 245.366 3.458 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1O ZINC000822494685 587171744 /nfs/dbraw/zinc/17/17/44/587171744.db2.gz SOKCOCDFDFBHQN-GJZGRUSLSA-N 1 0 245.366 3.226 20 10 BGCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000822494766 587171711 /nfs/dbraw/zinc/17/17/11/587171711.db2.gz VWLVTTMJPSUUMY-FZMZJTMJSA-N 1 0 249.329 3.057 20 10 BGCDRO Cc1cc(C[N@@H+](C)Cc2ccccc2O)cs1 ZINC000823408249 587220087 /nfs/dbraw/zinc/22/00/87/587220087.db2.gz BNBSQAHERZLMIL-UHFFFAOYSA-N 1 0 247.363 3.394 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)C(C)C)cc1Cl ZINC000824491848 587271850 /nfs/dbraw/zinc/27/18/50/587271850.db2.gz XNLZHVJECYAKBU-UHFFFAOYSA-N 1 0 227.735 3.194 20 10 BGCDRO CC[C@@H](NCc1cccc(Cl)c1[O-])C(F)F ZINC000824510724 587272827 /nfs/dbraw/zinc/27/28/27/587272827.db2.gz ZGCBVKOJVHSKQS-SECBINFHSA-N 1 0 249.688 3.179 20 10 BGCDRO CC[C@H](NCc1cccc(Cl)c1[O-])C(F)F ZINC000824510726 587272636 /nfs/dbraw/zinc/27/26/36/587272636.db2.gz ZGCBVKOJVHSKQS-VIFPVBQESA-N 1 0 249.688 3.179 20 10 BGCDRO CCN(CC)c1ccc(C[NH+]2CC3(CC3)C2)cc1 ZINC000824533481 587274461 /nfs/dbraw/zinc/27/44/61/587274461.db2.gz GEIZQKGURWKUOT-UHFFFAOYSA-N 1 0 244.382 3.129 20 10 BGCDRO CCC[N@H+](C)Cc1cc(Cl)c(C)cc1O ZINC000824555468 587275734 /nfs/dbraw/zinc/27/57/34/587275734.db2.gz GYGKRXLOYVIFGV-UHFFFAOYSA-N 1 0 227.735 3.196 20 10 BGCDRO CC[N@H+](Cc1cc(Cl)c(C)cc1O)C1CC1 ZINC000824556018 587276281 /nfs/dbraw/zinc/27/62/81/587276281.db2.gz LCDJTJPNPDTWEK-UHFFFAOYSA-N 1 0 239.746 3.338 20 10 BGCDRO Oc1c(C[N@@H+]2CC[C@@H](F)C2)ccc2ccccc21 ZINC000824572554 587277164 /nfs/dbraw/zinc/27/71/64/587277164.db2.gz ZUMCPCWTEBIRAQ-CYBMUJFWSA-N 1 0 245.297 3.089 20 10 BGCDRO Oc1c(C[N@@H+]2CC[C@H](F)C2)ccc2ccccc21 ZINC000824572555 587277005 /nfs/dbraw/zinc/27/70/05/587277005.db2.gz ZUMCPCWTEBIRAQ-ZDUSSCGKSA-N 1 0 245.297 3.089 20 10 BGCDRO Cc1cc(O)c(C[N@H+](C)CC2CC2)cc1Cl ZINC000824601725 587279009 /nfs/dbraw/zinc/27/90/09/587279009.db2.gz MIRBIYVFCRWZHK-UHFFFAOYSA-N 1 0 239.746 3.196 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](C)C2)cc1Cl ZINC000824618757 587280008 /nfs/dbraw/zinc/28/00/08/587280008.db2.gz ZTUSNVNLUXPNMT-SECBINFHSA-N 1 0 239.746 3.196 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC[C@H](C)C2)cc1Cl ZINC000824618758 587279954 /nfs/dbraw/zinc/27/99/54/587279954.db2.gz ZTUSNVNLUXPNMT-VIFPVBQESA-N 1 0 239.746 3.196 20 10 BGCDRO CCC1([NH2+]Cc2cc(Cl)cc(C)c2O)CC1 ZINC000824620557 587279976 /nfs/dbraw/zinc/27/99/76/587279976.db2.gz UBSTYJTTYKGDCG-UHFFFAOYSA-N 1 0 239.746 3.386 20 10 BGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824649080 587280813 /nfs/dbraw/zinc/28/08/13/587280813.db2.gz BBAJVOSXBXUGEB-GFCCVEGCSA-N 1 0 237.730 3.030 20 10 BGCDRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824649083 587280929 /nfs/dbraw/zinc/28/09/29/587280929.db2.gz BBAJVOSXBXUGEB-LBPRGKRZSA-N 1 0 237.730 3.030 20 10 BGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650759 587280663 /nfs/dbraw/zinc/28/06/63/587280663.db2.gz QIWNXEMQKZNTQK-GFCCVEGCSA-N 1 0 237.730 3.030 20 10 BGCDRO Oc1cccc(Cl)c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650760 587281044 /nfs/dbraw/zinc/28/10/44/587281044.db2.gz QIWNXEMQKZNTQK-LBPRGKRZSA-N 1 0 237.730 3.030 20 10 BGCDRO CC[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000824655277 587281441 /nfs/dbraw/zinc/28/14/41/587281441.db2.gz VSZXZSSPKFJGRD-CHWSQXEVSA-N 1 0 233.355 3.308 20 10 BGCDRO CC[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000824655278 587281300 /nfs/dbraw/zinc/28/13/00/587281300.db2.gz VSZXZSSPKFJGRD-OLZOCXBDSA-N 1 0 233.355 3.308 20 10 BGCDRO CC[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000824655280 587281202 /nfs/dbraw/zinc/28/12/02/587281202.db2.gz VSZXZSSPKFJGRD-QWHCGFSZSA-N 1 0 233.355 3.308 20 10 BGCDRO CC[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000824655282 587281605 /nfs/dbraw/zinc/28/16/05/587281605.db2.gz VSZXZSSPKFJGRD-STQMWFEESA-N 1 0 233.355 3.308 20 10 BGCDRO CC/C=C/C[NH2+]Cc1cc(C)c(C)cc1O ZINC000824702001 587283668 /nfs/dbraw/zinc/28/36/68/587283668.db2.gz GJHVFKKCCSVNED-AATRIKPKSA-N 1 0 219.328 3.065 20 10 BGCDRO CC/C=C\C[NH2+]Cc1cc(C)c(C)cc1O ZINC000824702002 587283712 /nfs/dbraw/zinc/28/37/12/587283712.db2.gz GJHVFKKCCSVNED-WAYWQWQTSA-N 1 0 219.328 3.065 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C)cc1Cl ZINC000824778815 587287012 /nfs/dbraw/zinc/28/70/12/587287012.db2.gz TYEDZKDWNLHAPX-JTQLQIEISA-N 1 0 239.746 3.338 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C)cc1Cl ZINC000824778816 587287004 /nfs/dbraw/zinc/28/70/04/587287004.db2.gz TYEDZKDWNLHAPX-SNVBAGLBSA-N 1 0 239.746 3.338 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1cc(C)c(C)cc1O ZINC000824784047 587287377 /nfs/dbraw/zinc/28/73/77/587287377.db2.gz ZQBZVRLNORNUCO-OLZOCXBDSA-N 1 0 233.355 3.145 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2CCC2(C)C)cc1Cl ZINC000824823836 587289185 /nfs/dbraw/zinc/28/91/85/587289185.db2.gz DVNZPODKEHZXMH-UHFFFAOYSA-N 1 0 239.746 3.338 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)C2CCC2)cc1Cl ZINC000824826176 587289496 /nfs/dbraw/zinc/28/94/96/587289496.db2.gz XSTWOIWWWPCRDI-UHFFFAOYSA-N 1 0 239.746 3.338 20 10 BGCDRO Oc1ccccc1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000824941125 587293885 /nfs/dbraw/zinc/29/38/85/587293885.db2.gz JJKTUQZTNDEFTR-GDBMZVCRSA-N 1 0 243.350 3.013 20 10 BGCDRO Oc1ccccc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000824941126 587294129 /nfs/dbraw/zinc/29/41/29/587294129.db2.gz JJKTUQZTNDEFTR-GOEBONIOSA-N 1 0 243.350 3.013 20 10 BGCDRO Oc1ccccc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000824941127 587294116 /nfs/dbraw/zinc/29/41/16/587294116.db2.gz JJKTUQZTNDEFTR-HOCLYGCPSA-N 1 0 243.350 3.013 20 10 BGCDRO Oc1ccccc1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000824941128 587294184 /nfs/dbraw/zinc/29/41/84/587294184.db2.gz JJKTUQZTNDEFTR-ZBFHGGJFSA-N 1 0 243.350 3.013 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1O ZINC000824977430 587296325 /nfs/dbraw/zinc/29/63/25/587296325.db2.gz MLDDAIHURQCNCX-KBPBESRZSA-N 1 0 233.355 3.082 20 10 BGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000824977991 587296289 /nfs/dbraw/zinc/29/62/89/587296289.db2.gz PXWOGPBAASQZFQ-GJZGRUSLSA-N 1 0 245.366 3.003 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H]2C(C)C)c1 ZINC000824978715 587296332 /nfs/dbraw/zinc/29/63/32/587296332.db2.gz ZHCKKYZIJJFVTK-JSGCOSHPSA-N 1 0 233.355 3.082 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC(C)C)cc1Cl ZINC000825043222 587300180 /nfs/dbraw/zinc/30/01/80/587300180.db2.gz CUODYUDQNLVAGF-UHFFFAOYSA-N 1 0 227.735 3.100 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2CCCC2)cc1Cl ZINC000825044066 645060768 /nfs/dbraw/zinc/06/07/68/645060768.db2.gz OZODYJLWRHFVSC-UHFFFAOYSA-N 1 0 239.746 3.386 20 10 BGCDRO CC[C@@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825049960 645061028 /nfs/dbraw/zinc/06/10/28/645061028.db2.gz NRLUEBLVTFDFDI-SECBINFHSA-N 1 0 227.735 3.242 20 10 BGCDRO CC[C@H](C)[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825049961 645060715 /nfs/dbraw/zinc/06/07/15/645060715.db2.gz NRLUEBLVTFDFDI-VIFPVBQESA-N 1 0 227.735 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C2CC2)cc1Cl ZINC000825059205 587301471 /nfs/dbraw/zinc/30/14/71/587301471.db2.gz VPZNXIRHTLEHQC-SECBINFHSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C2CC2)cc1Cl ZINC000825059301 587301590 /nfs/dbraw/zinc/30/15/90/587301590.db2.gz VPZNXIRHTLEHQC-VIFPVBQESA-N 1 0 239.746 3.242 20 10 BGCDRO CCCC[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000825070359 587302978 /nfs/dbraw/zinc/30/29/78/587302978.db2.gz CGAZDUULXCHLGR-UHFFFAOYSA-N 1 0 227.735 3.244 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@H]2C)cc1Cl ZINC000825113416 587305659 /nfs/dbraw/zinc/30/56/59/587305659.db2.gz CHNBOKDZEVXKNA-PSASIEDQSA-N 1 0 239.746 3.100 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C)cc1Cl ZINC000825113417 587305473 /nfs/dbraw/zinc/30/54/73/587305473.db2.gz CHNBOKDZEVXKNA-SCZZXKLOSA-N 1 0 239.746 3.100 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@@H]2C)cc1Cl ZINC000825113418 587305372 /nfs/dbraw/zinc/30/53/72/587305372.db2.gz CHNBOKDZEVXKNA-WCBMZHEXSA-N 1 0 239.746 3.100 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H]2C)cc1Cl ZINC000825113419 587305598 /nfs/dbraw/zinc/30/55/98/587305598.db2.gz CHNBOKDZEVXKNA-WPRPVWTQSA-N 1 0 239.746 3.100 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2(C3(C)CC3)CC2)cc1C ZINC000825124527 587305410 /nfs/dbraw/zinc/30/54/10/587305410.db2.gz RPAXIDLCROXLAS-UHFFFAOYSA-N 1 0 245.366 3.431 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC2CCC2)cc1Cl ZINC000825160883 587307267 /nfs/dbraw/zinc/30/72/67/587307267.db2.gz XJMSBDNNBNLSAZ-UHFFFAOYSA-N 1 0 239.746 3.244 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1C ZINC000825245626 587310670 /nfs/dbraw/zinc/31/06/70/587310670.db2.gz MVENTVIYOOXZFB-ZFWWWQNUSA-N 1 0 245.366 3.145 20 10 BGCDRO CC[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000825249405 587310904 /nfs/dbraw/zinc/31/09/04/587310904.db2.gz GIDMXTFCLBYLTA-AEGPPILISA-N 1 0 245.366 3.479 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CCC2CC2)cc1Cl ZINC000825325135 587315570 /nfs/dbraw/zinc/31/55/70/587315570.db2.gz AZMKHNCOWBUAFB-UHFFFAOYSA-N 1 0 239.746 3.244 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC2(C)CC2)cc1Cl ZINC000825325457 587315280 /nfs/dbraw/zinc/31/52/80/587315280.db2.gz FLROXTKQHLZPSR-UHFFFAOYSA-N 1 0 239.746 3.244 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2CC(C)C2)cc1Cl ZINC000825330948 587315287 /nfs/dbraw/zinc/31/52/87/587315287.db2.gz GRHUBWQJPOGMDP-UHFFFAOYSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2CC=CC2)cc1Cl ZINC000825354793 587316785 /nfs/dbraw/zinc/31/67/85/587316785.db2.gz ZMUKCAYIGNKVQD-UHFFFAOYSA-N 1 0 237.730 3.162 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C(C)(C)C)cc1Cl ZINC000825421502 587319012 /nfs/dbraw/zinc/31/90/12/587319012.db2.gz AUNZSYJFQWQRHI-UHFFFAOYSA-N 1 0 227.735 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2(C)CCC2)cc1Cl ZINC000825436162 587319405 /nfs/dbraw/zinc/31/94/05/587319405.db2.gz PYLPELGJPWKEJQ-UHFFFAOYSA-N 1 0 239.746 3.386 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2[C@H](C)C[C@@H]2C)cc1Cl ZINC000825737859 587335557 /nfs/dbraw/zinc/33/55/57/587335557.db2.gz GXQVGCONBSUMST-AOOOYVTPSA-N 1 0 239.746 3.337 20 10 BGCDRO Cc1cc(O)c(C[NH+]2[C@H](C)C[C@H]2C)cc1Cl ZINC000825737860 587335253 /nfs/dbraw/zinc/33/52/53/587335253.db2.gz GXQVGCONBSUMST-NXEZZACHSA-N 1 0 239.746 3.337 20 10 BGCDRO Cc1cc(O)c(C[NH+]2[C@@H](C)C[C@@H]2C)cc1Cl ZINC000825737861 587335402 /nfs/dbraw/zinc/33/54/02/587335402.db2.gz GXQVGCONBSUMST-UWVGGRQHSA-N 1 0 239.746 3.337 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@H]2C)cc1Cl ZINC000825893395 587344323 /nfs/dbraw/zinc/34/43/23/587344323.db2.gz YTOCYGLGZBMTQC-PELKAZGASA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H]2C)cc1Cl ZINC000825893396 587344468 /nfs/dbraw/zinc/34/44/68/587344468.db2.gz YTOCYGLGZBMTQC-PRHODGIISA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@@H]2C)cc1Cl ZINC000825893397 587344266 /nfs/dbraw/zinc/34/42/66/587344266.db2.gz YTOCYGLGZBMTQC-QPUJVOFHSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@@H]2C)cc1Cl ZINC000825893398 587344170 /nfs/dbraw/zinc/34/41/70/587344170.db2.gz YTOCYGLGZBMTQC-UFBFGSQYSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CCCCF)cc1Cl ZINC000825954883 587346318 /nfs/dbraw/zinc/34/63/18/587346318.db2.gz CBVCUOKIQZCELT-UHFFFAOYSA-N 1 0 245.725 3.193 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825992467 587347963 /nfs/dbraw/zinc/34/79/63/587347963.db2.gz ZSFSPIQUEYOQKR-LLVKDONJSA-N 1 0 239.746 3.338 20 10 BGCDRO CC[C@H]1CC[N@@H+]1Cc1cc(Cl)c(C)cc1O ZINC000825992471 587347859 /nfs/dbraw/zinc/34/78/59/587347859.db2.gz ZSFSPIQUEYOQKR-NSHDSACASA-N 1 0 239.746 3.338 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](C)F)cc1Cl ZINC000826017252 587348446 /nfs/dbraw/zinc/34/84/46/587348446.db2.gz QKMNPDFBKGAGQT-SECBINFHSA-N 1 0 245.725 3.192 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC[C@H](C)F)cc1Cl ZINC000826017255 587348466 /nfs/dbraw/zinc/34/84/66/587348466.db2.gz QKMNPDFBKGAGQT-VIFPVBQESA-N 1 0 245.725 3.192 20 10 BGCDRO CCC1([NH2+]Cc2cc(Cl)c(C)cc2O)CC1 ZINC000826043705 587349464 /nfs/dbraw/zinc/34/94/64/587349464.db2.gz OVPVCHITHHXEAY-UHFFFAOYSA-N 1 0 239.746 3.386 20 10 BGCDRO CCc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000826538400 587354359 /nfs/dbraw/zinc/35/43/59/587354359.db2.gz CLBRCIJIQDQMBB-ZFWWWQNUSA-N 1 0 245.366 3.329 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000826538402 587354396 /nfs/dbraw/zinc/35/43/96/587354396.db2.gz COJUGSPUTDJNGL-JSGCOSHPSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c1O ZINC000826539144 587354433 /nfs/dbraw/zinc/35/44/33/587354433.db2.gz OXGLTGMJUJRZTD-JSGCOSHPSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1C ZINC000826539483 587354375 /nfs/dbraw/zinc/35/43/75/587354375.db2.gz UUUPNHKPIJVOIC-ZFWWWQNUSA-N 1 0 245.366 3.383 20 10 BGCDRO Oc1c(C[NH2+][C@H]2C=CCC2)ccc2ccccc21 ZINC000826940297 587366290 /nfs/dbraw/zinc/36/62/90/587366290.db2.gz CECABENCVRKPJA-AWEZNQCLSA-N 1 0 239.318 3.354 20 10 BGCDRO Oc1c(C[NH2+][C@@H]2C=CCC2)ccc2ccccc21 ZINC000826940298 587366292 /nfs/dbraw/zinc/36/62/92/587366292.db2.gz CECABENCVRKPJA-CQSZACIVSA-N 1 0 239.318 3.354 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C=CCC2)cc1Cl ZINC000826942226 712592733 /nfs/dbraw/zinc/59/27/33/712592733.db2.gz OBNJPNLZLKDQFC-LLVKDONJSA-N 1 0 237.730 3.162 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2C=CCC2)cc1Cl ZINC000826942241 712592640 /nfs/dbraw/zinc/59/26/40/712592640.db2.gz OBNJPNLZLKDQFC-NSHDSACASA-N 1 0 237.730 3.162 20 10 BGCDRO Oc1ccccc1C[NH+]1CCC(C2CCC2)CC1 ZINC000826946547 587366622 /nfs/dbraw/zinc/36/66/22/587366622.db2.gz JIBWWLHZHPTJBV-UHFFFAOYSA-N 1 0 245.366 3.404 20 10 BGCDRO CCc1cccc(C[NH2+]CCC(C)(C)F)c1O ZINC000827189701 587372212 /nfs/dbraw/zinc/37/22/12/587372212.db2.gz MSSBCTMHSIUYII-UHFFFAOYSA-N 1 0 239.334 3.182 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1=CCCC1 ZINC000827544533 587387239 /nfs/dbraw/zinc/38/72/39/587387239.db2.gz DNHLHOMLHIRWMI-UHFFFAOYSA-N 1 0 244.382 3.261 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000827627522 587393294 /nfs/dbraw/zinc/39/32/94/587393294.db2.gz VRQPSRIMESYJCA-AWEZNQCLSA-N 1 0 245.366 3.404 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000827627523 587393504 /nfs/dbraw/zinc/39/35/04/587393504.db2.gz VRQPSRIMESYJCA-CQSZACIVSA-N 1 0 245.366 3.404 20 10 BGCDRO Cc1cccc(C[NH2+]CCCc2ccco2)c1O ZINC000827674853 587395757 /nfs/dbraw/zinc/39/57/57/587395757.db2.gz VNAOLIUMANNMNJ-UHFFFAOYSA-N 1 0 245.322 3.016 20 10 BGCDRO Oc1ccccc1C[N@H+](CCC1CC1)CC1CC1 ZINC000827729104 587399950 /nfs/dbraw/zinc/39/99/50/587399950.db2.gz ROFGCYHSFBJJOX-UHFFFAOYSA-N 1 0 245.366 3.404 20 10 BGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CC1(C)C ZINC000827941432 587411578 /nfs/dbraw/zinc/41/15/78/587411578.db2.gz DRTROLNYEAADEY-LLVKDONJSA-N 1 0 237.318 3.009 20 10 BGCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CC1(C)C ZINC000827941436 587411890 /nfs/dbraw/zinc/41/18/90/587411890.db2.gz DRTROLNYEAADEY-NSHDSACASA-N 1 0 237.318 3.009 20 10 BGCDRO Cc1cccc(C[N@H+](C)C[C@H]2CC2(C)C)c1O ZINC000827941936 587411713 /nfs/dbraw/zinc/41/17/13/587411713.db2.gz KHLJOGXRFCABMK-CYBMUJFWSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1cccc(C[N@H+](C)C[C@@H]2CC2(C)C)c1O ZINC000827941937 587412111 /nfs/dbraw/zinc/41/21/11/587412111.db2.gz KHLJOGXRFCABMK-ZDUSSCGKSA-N 1 0 233.355 3.179 20 10 BGCDRO CCc1cccc(C[NH2+]C2CC3(CCC3)C2)c1O ZINC000829309814 582855509 /nfs/dbraw/zinc/85/55/09/582855509.db2.gz JMYHAVJVSRJYIE-UHFFFAOYSA-N 1 0 245.366 3.377 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C=CCC2)c(O)c1 ZINC000829347509 582856591 /nfs/dbraw/zinc/85/65/91/582856591.db2.gz KLWBEPZHHQTUKY-RYUDHWBXSA-N 1 0 217.312 3.070 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C=CCC2)c(O)c1 ZINC000829347515 582856349 /nfs/dbraw/zinc/85/63/49/582856349.db2.gz KLWBEPZHHQTUKY-VXGBXAGGSA-N 1 0 217.312 3.070 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C=CCC2)c1 ZINC000829347937 582856521 /nfs/dbraw/zinc/85/65/21/582856521.db2.gz PJRUOBIKRRPNGJ-NEPJUHHUSA-N 1 0 217.312 3.070 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2C=CCC2)c1 ZINC000829347938 582856221 /nfs/dbraw/zinc/85/62/21/582856221.db2.gz PJRUOBIKRRPNGJ-NWDGAFQWSA-N 1 0 217.312 3.070 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C=CCC2)c1 ZINC000829347939 582856579 /nfs/dbraw/zinc/85/65/79/582856579.db2.gz PJRUOBIKRRPNGJ-RYUDHWBXSA-N 1 0 217.312 3.070 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2C=CCC2)c1 ZINC000829347940 582856186 /nfs/dbraw/zinc/85/61/86/582856186.db2.gz PJRUOBIKRRPNGJ-VXGBXAGGSA-N 1 0 217.312 3.070 20 10 BGCDRO Cc1cc(C[N@H+](C)C(C)(C)C)ccc1N(C)C ZINC000830566644 587558358 /nfs/dbraw/zinc/55/83/58/587558358.db2.gz UZEJPFDSIGNSKL-UHFFFAOYSA-N 1 0 234.387 3.291 20 10 BGCDRO Cc1occc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834541398 587759179 /nfs/dbraw/zinc/75/91/79/587759179.db2.gz WDAINTNSCWRYFH-CYBMUJFWSA-N 1 0 243.306 3.071 20 10 BGCDRO Cc1occc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834541401 587759014 /nfs/dbraw/zinc/75/90/14/587759014.db2.gz WDAINTNSCWRYFH-ZDUSSCGKSA-N 1 0 243.306 3.071 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc[nH]1 ZINC000834693468 587764541 /nfs/dbraw/zinc/76/45/41/587764541.db2.gz OUCBJGSRQDEGBQ-GWCFXTLKSA-N 1 0 242.322 3.058 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc[nH]1 ZINC000834693469 587764425 /nfs/dbraw/zinc/76/44/25/587764425.db2.gz OUCBJGSRQDEGBQ-GXFFZTMASA-N 1 0 242.322 3.058 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)c1ccc[nH]1 ZINC000834693470 587764413 /nfs/dbraw/zinc/76/44/13/587764413.db2.gz OUCBJGSRQDEGBQ-MFKMUULPSA-N 1 0 242.322 3.058 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCc2cccc(O)c21)c1ccc[nH]1 ZINC000834693471 587764508 /nfs/dbraw/zinc/76/45/08/587764508.db2.gz OUCBJGSRQDEGBQ-ZWNOBZJWSA-N 1 0 242.322 3.058 20 10 BGCDRO C[C@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000834880060 587769469 /nfs/dbraw/zinc/76/94/69/587769469.db2.gz HHJFJRMUMCXSGF-AUTRQRHGSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000834880061 587769295 /nfs/dbraw/zinc/76/92/95/587769295.db2.gz HHJFJRMUMCXSGF-HOTUBEGUSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@@H]([NH2+][C@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000834880062 587769356 /nfs/dbraw/zinc/76/93/56/587769356.db2.gz HHJFJRMUMCXSGF-SBMIAAHKSA-N 1 0 249.329 3.468 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F)C1CC1 ZINC000834880063 587769385 /nfs/dbraw/zinc/76/93/85/587769385.db2.gz HHJFJRMUMCXSGF-YGOYTEALSA-N 1 0 249.329 3.468 20 10 BGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000834889872 587769778 /nfs/dbraw/zinc/76/97/78/587769778.db2.gz AAEYVBISNZDHRB-IHRRRGAJSA-N 1 0 245.366 3.261 20 10 BGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000834889874 587769653 /nfs/dbraw/zinc/76/96/53/587769653.db2.gz AAEYVBISNZDHRB-MELADBBJSA-N 1 0 245.366 3.261 20 10 BGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccccc1O ZINC000834894347 587769759 /nfs/dbraw/zinc/76/97/59/587769759.db2.gz SSLVEBHBMKJNIF-DYEKYZERSA-N 1 0 233.355 3.335 20 10 BGCDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccccc1O ZINC000834894349 587769788 /nfs/dbraw/zinc/76/97/88/587769788.db2.gz SSLVEBHBMKJNIF-OBJOEFQTSA-N 1 0 233.355 3.335 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)CC2 ZINC000834905419 587770378 /nfs/dbraw/zinc/77/03/78/587770378.db2.gz GWCYJNTYIYNUJZ-IHRRRGAJSA-N 1 0 243.350 3.015 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000834905766 587770289 /nfs/dbraw/zinc/77/02/89/587770289.db2.gz KXKYQIGZGXBLFY-ZLDLUXBVSA-N 1 0 245.366 3.397 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000834906930 587770203 /nfs/dbraw/zinc/77/02/03/587770203.db2.gz ULEZHNQUZQSBTC-OSMZGAPFSA-N 1 0 231.339 3.089 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CC2)c(O)c1 ZINC000834907184 587770280 /nfs/dbraw/zinc/77/02/80/587770280.db2.gz YDDNKHRDBVZKLZ-ZLDLUXBVSA-N 1 0 245.366 3.397 20 10 BGCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cc(F)ccc1O ZINC000834907263 587770407 /nfs/dbraw/zinc/77/04/07/587770407.db2.gz ZVXPSAIJBQFXAD-PUYPPJJSSA-N 1 0 249.329 3.228 20 10 BGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000834915357 587770470 /nfs/dbraw/zinc/77/04/70/587770470.db2.gz XSDDWLFSKIDLQT-NJZAAPMLSA-N 1 0 249.354 3.000 20 10 BGCDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000834915358 587770530 /nfs/dbraw/zinc/77/05/30/587770530.db2.gz XSDDWLFSKIDLQT-UXIGCNINSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835024715 587779018 /nfs/dbraw/zinc/77/90/18/587779018.db2.gz BSQIVLJCMDVEOD-AATRIKPKSA-N 1 0 244.382 3.250 20 10 BGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835024717 641762575 /nfs/dbraw/zinc/76/25/75/641762575.db2.gz BSQIVLJCMDVEOD-WAYWQWQTSA-N 1 0 244.382 3.250 20 10 BGCDRO CC[NH+](CC)C/C=C/c1ccc(N(C)C)cc1 ZINC000835025977 587779184 /nfs/dbraw/zinc/77/91/84/587779184.db2.gz PJHOOMNJDOUPEB-BQYQJAHWSA-N 1 0 232.371 3.108 20 10 BGCDRO CC[NH+](CC)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025978 587779065 /nfs/dbraw/zinc/77/90/65/587779065.db2.gz PJHOOMNJDOUPEB-FPLPWBNLSA-N 1 0 232.371 3.108 20 10 BGCDRO CC[C@H](C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835026185 587779199 /nfs/dbraw/zinc/77/91/99/587779199.db2.gz RRTQCIHBAVAYPV-DANTVBBOSA-N 1 0 246.398 3.496 20 10 BGCDRO CC[C@@H](C)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835026186 587779114 /nfs/dbraw/zinc/77/91/14/587779114.db2.gz RRTQCIHBAVAYPV-HSBSLETESA-N 1 0 246.398 3.496 20 10 BGCDRO CC[C@H](C)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835026187 587779140 /nfs/dbraw/zinc/77/91/40/587779140.db2.gz RRTQCIHBAVAYPV-NPQIQWPPSA-N 1 0 246.398 3.496 20 10 BGCDRO CC[C@@H](C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835026188 587779083 /nfs/dbraw/zinc/77/90/83/587779083.db2.gz RRTQCIHBAVAYPV-WBTMPAOCSA-N 1 0 246.398 3.496 20 10 BGCDRO CCC[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835026292 587779170 /nfs/dbraw/zinc/77/91/70/587779170.db2.gz UKGHGMHNHLOTLC-SREVYHEPSA-N 1 0 232.371 3.108 20 10 BGCDRO CCC[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835026293 587779164 /nfs/dbraw/zinc/77/91/64/587779164.db2.gz UKGHGMHNHLOTLC-VOTSOKGWSA-N 1 0 232.371 3.108 20 10 BGCDRO CC(C)[N@H+](C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835026480 587778996 /nfs/dbraw/zinc/77/89/96/587778996.db2.gz XVRMDAQZOTXLOW-SREVYHEPSA-N 1 0 232.371 3.106 20 10 BGCDRO CC(C)[N@H+](C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835026481 587779153 /nfs/dbraw/zinc/77/91/53/587779153.db2.gz XVRMDAQZOTXLOW-VOTSOKGWSA-N 1 0 232.371 3.106 20 10 BGCDRO CC[N@H+](C/C=C/c1ccc(N(C)C)cc1)C(C)C ZINC000835026507 587779143 /nfs/dbraw/zinc/77/91/43/587779143.db2.gz YODZXKNTYYDYBK-BQYQJAHWSA-N 1 0 246.398 3.496 20 10 BGCDRO CC[N@H+](C/C=C\c1ccc(N(C)C)cc1)C(C)C ZINC000835026508 587779020 /nfs/dbraw/zinc/77/90/20/587779020.db2.gz YODZXKNTYYDYBK-FPLPWBNLSA-N 1 0 246.398 3.496 20 10 BGCDRO C[C@@H]1CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027377 587779179 /nfs/dbraw/zinc/77/91/79/587779179.db2.gz FGSPQEPTIFDJJO-BRLPQQTGSA-N 1 0 244.382 3.250 20 10 BGCDRO C[C@H]1CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835027378 587779231 /nfs/dbraw/zinc/77/92/31/587779231.db2.gz FGSPQEPTIFDJJO-DYLGSBMWSA-N 1 0 244.382 3.250 20 10 BGCDRO C[C@@H]1CCC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835027379 587779237 /nfs/dbraw/zinc/77/92/37/587779237.db2.gz FGSPQEPTIFDJJO-HZRUHFOJSA-N 1 0 244.382 3.250 20 10 BGCDRO C[C@H]1CCC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835027380 587779066 /nfs/dbraw/zinc/77/90/66/587779066.db2.gz FGSPQEPTIFDJJO-VSKVDJIOSA-N 1 0 244.382 3.250 20 10 BGCDRO C[C@@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027786 587779243 /nfs/dbraw/zinc/77/92/43/587779243.db2.gz ODAFWJPFOITBMG-ISZGNANSSA-N 1 0 244.382 3.108 20 10 BGCDRO C[C@H]1CC[N@H+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835027789 587779250 /nfs/dbraw/zinc/77/92/50/587779250.db2.gz ODAFWJPFOITBMG-NNTXTVRGSA-N 1 0 244.382 3.108 20 10 BGCDRO C[C@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027791 587779034 /nfs/dbraw/zinc/77/90/34/587779034.db2.gz ODAFWJPFOITBMG-WSNITJDQSA-N 1 0 244.382 3.108 20 10 BGCDRO C[C@@H]1CC[N@H+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835027795 587779003 /nfs/dbraw/zinc/77/90/03/587779003.db2.gz ODAFWJPFOITBMG-ZRUQZJFASA-N 1 0 244.382 3.108 20 10 BGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C2CCC2)cc1 ZINC000835028099 587779047 /nfs/dbraw/zinc/77/90/47/587779047.db2.gz JFPGAEDLHZFAGN-AATRIKPKSA-N 1 0 244.382 3.250 20 10 BGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C2CCC2)cc1 ZINC000835028100 587779070 /nfs/dbraw/zinc/77/90/70/587779070.db2.gz JFPGAEDLHZFAGN-WAYWQWQTSA-N 1 0 244.382 3.250 20 10 BGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)CC2CC2)cc1 ZINC000835028836 587779040 /nfs/dbraw/zinc/77/90/40/587779040.db2.gz SWQSQYRMANLOIJ-PLNGDYQASA-N 1 0 244.382 3.108 20 10 BGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)CC2CC2)cc1 ZINC000835028837 587779015 /nfs/dbraw/zinc/77/90/15/587779015.db2.gz SWQSQYRMANLOIJ-SNAWJCMRSA-N 1 0 244.382 3.108 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CCCC2)cc1 ZINC000835033774 587779421 /nfs/dbraw/zinc/77/94/21/587779421.db2.gz JXLCAJYZPDEXEI-AATRIKPKSA-N 1 0 244.382 3.298 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CCCC2)cc1 ZINC000835033775 587779332 /nfs/dbraw/zinc/77/93/32/587779332.db2.gz JXLCAJYZPDEXEI-WAYWQWQTSA-N 1 0 244.382 3.298 20 10 BGCDRO CC[C@@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034253 587779410 /nfs/dbraw/zinc/77/94/10/587779410.db2.gz RAVYICOLYAJTOI-FMFIFOJESA-N 1 0 232.371 3.154 20 10 BGCDRO CC[C@H](C)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034254 587779431 /nfs/dbraw/zinc/77/94/31/587779431.db2.gz RAVYICOLYAJTOI-FWWRYZNZSA-N 1 0 232.371 3.154 20 10 BGCDRO CC[C@@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034255 587779262 /nfs/dbraw/zinc/77/92/62/587779262.db2.gz RAVYICOLYAJTOI-KTRBRXNASA-N 1 0 232.371 3.154 20 10 BGCDRO CC[C@H](C)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034256 587779326 /nfs/dbraw/zinc/77/93/26/587779326.db2.gz RAVYICOLYAJTOI-YBJDMEARSA-N 1 0 232.371 3.154 20 10 BGCDRO CC[C@@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000835034305 587779305 /nfs/dbraw/zinc/77/93/05/587779305.db2.gz TVILXACVHZHSLV-LLVKDONJSA-N 1 0 229.323 3.434 20 10 BGCDRO CC[C@H](C)[NH2+]Cc1ccc2ccccc2c1O ZINC000835034306 587779483 /nfs/dbraw/zinc/77/94/83/587779483.db2.gz TVILXACVHZHSLV-NSHDSACASA-N 1 0 229.323 3.434 20 10 BGCDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835034793 587779333 /nfs/dbraw/zinc/77/93/33/587779333.db2.gz YNNSQHWPZNRPIS-DSYXLKISSA-N 1 0 244.382 3.154 20 10 BGCDRO C[C@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835034796 587779491 /nfs/dbraw/zinc/77/94/91/587779491.db2.gz YNNSQHWPZNRPIS-IHVVCDCBSA-N 1 0 244.382 3.154 20 10 BGCDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C1CC1 ZINC000835034797 587779445 /nfs/dbraw/zinc/77/94/45/587779445.db2.gz YNNSQHWPZNRPIS-MUBLQREKSA-N 1 0 244.382 3.154 20 10 BGCDRO C[C@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C1CC1 ZINC000835034800 587779344 /nfs/dbraw/zinc/77/93/44/587779344.db2.gz YNNSQHWPZNRPIS-ZFDPJTLLSA-N 1 0 244.382 3.154 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2CCC2)cc1 ZINC000835035713 587779460 /nfs/dbraw/zinc/77/94/60/587779460.db2.gz HWMKBOUKOHYRJT-DAXSKMNVSA-N 1 0 244.382 3.156 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2CCC2)cc1 ZINC000835035717 587779321 /nfs/dbraw/zinc/77/93/21/587779321.db2.gz HWMKBOUKOHYRJT-QPJJXVBHSA-N 1 0 244.382 3.156 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC(C)(C)C)cc1 ZINC000835036287 587779294 /nfs/dbraw/zinc/77/92/94/587779294.db2.gz JSIVEOXDYBERJV-SREVYHEPSA-N 1 0 246.398 3.402 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC(C)(C)C)cc1 ZINC000835036290 587779380 /nfs/dbraw/zinc/77/93/80/587779380.db2.gz JSIVEOXDYBERJV-VOTSOKGWSA-N 1 0 246.398 3.402 20 10 BGCDRO C[C@@H]1C[C@@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835037917 587779487 /nfs/dbraw/zinc/77/94/87/587779487.db2.gz ZNOSRKIEZZJNHL-BCBDKAHJSA-N 1 0 244.382 3.011 20 10 BGCDRO C[C@@H]1C[C@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835037918 587779309 /nfs/dbraw/zinc/77/93/09/587779309.db2.gz ZNOSRKIEZZJNHL-DTJRNEMCSA-N 1 0 244.382 3.011 20 10 BGCDRO C[C@@H]1C[C@H]1C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835037919 587779303 /nfs/dbraw/zinc/77/93/03/587779303.db2.gz ZNOSRKIEZZJNHL-GRJAPKLVSA-N 1 0 244.382 3.011 20 10 BGCDRO C[C@@H]1C[C@@H]1C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835037920 587779456 /nfs/dbraw/zinc/77/94/56/587779456.db2.gz ZNOSRKIEZZJNHL-HAAFXLEYSA-N 1 0 244.382 3.011 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+]CC2(C)CC2)cc1 ZINC000835041846 587779409 /nfs/dbraw/zinc/77/94/09/587779409.db2.gz FKFCCDFYGQCGES-PLNGDYQASA-N 1 0 244.382 3.156 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+]CC2(C)CC2)cc1 ZINC000835041849 587779287 /nfs/dbraw/zinc/77/92/87/587779287.db2.gz FKFCCDFYGQCGES-SNAWJCMRSA-N 1 0 244.382 3.156 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+]CCC2CC2)cc1 ZINC000835042507 587779494 /nfs/dbraw/zinc/77/94/94/587779494.db2.gz JGVARUNXLFFASZ-ARJAWSKDSA-N 1 0 244.382 3.156 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+]CCC2CC2)cc1 ZINC000835042509 587779495 /nfs/dbraw/zinc/77/94/95/587779495.db2.gz JGVARUNXLFFASZ-ONEGZZNKSA-N 1 0 244.382 3.156 20 10 BGCDRO CC1CC([NH2+]C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835043249 587779420 /nfs/dbraw/zinc/77/94/20/587779420.db2.gz OIULNMSUWFMHCD-PLNGDYQASA-N 1 0 244.382 3.154 20 10 BGCDRO CC1CC([NH2+]C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835043250 587779489 /nfs/dbraw/zinc/77/94/89/587779489.db2.gz OIULNMSUWFMHCD-SNAWJCMRSA-N 1 0 244.382 3.154 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2CC=CC2)cc1 ZINC000835043938 587779400 /nfs/dbraw/zinc/77/94/00/587779400.db2.gz WOYJROOBYGDIOC-AATRIKPKSA-N 1 0 242.366 3.074 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2CC=CC2)cc1 ZINC000835044120 587779282 /nfs/dbraw/zinc/77/92/82/587779282.db2.gz WOYJROOBYGDIOC-WAYWQWQTSA-N 1 0 242.366 3.074 20 10 BGCDRO CN(C)c1ccc(/C=C\C[N@H+]2CC=CCC2)cc1 ZINC000835044728 645163348 /nfs/dbraw/zinc/16/33/48/645163348.db2.gz OPGBYCKQNVOSCC-SREVYHEPSA-N 1 0 242.366 3.028 20 10 BGCDRO CN(C)c1ccc(/C=C/C[N@H+]2CC=CCC2)cc1 ZINC000835044731 645163427 /nfs/dbraw/zinc/16/34/27/645163427.db2.gz OPGBYCKQNVOSCC-VOTSOKGWSA-N 1 0 242.366 3.028 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+]C2(C)CCC2)cc1 ZINC000835044796 645163983 /nfs/dbraw/zinc/16/39/83/645163983.db2.gz PGXJTCHAXTVAPP-GQCTYLIASA-N 1 0 244.382 3.298 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+]C2(C)CCC2)cc1 ZINC000835044798 645163443 /nfs/dbraw/zinc/16/34/43/645163443.db2.gz PGXJTCHAXTVAPP-XQRVVYSFSA-N 1 0 244.382 3.298 20 10 BGCDRO CC(C)=CC[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835050692 587779594 /nfs/dbraw/zinc/77/95/94/587779594.db2.gz STQRPXWXBBKKRQ-AATRIKPKSA-N 1 0 244.382 3.322 20 10 BGCDRO CC(C)=CC[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835050693 587779742 /nfs/dbraw/zinc/77/97/42/587779742.db2.gz STQRPXWXBBKKRQ-WAYWQWQTSA-N 1 0 244.382 3.322 20 10 BGCDRO C[C@@H]1CC[C@@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835052969 587779590 /nfs/dbraw/zinc/77/95/90/587779590.db2.gz IZBJUPVZVIQPRZ-DUIDPNDXSA-N 1 0 244.382 3.154 20 10 BGCDRO C[C@@H]1CC[C@@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835052971 587779657 /nfs/dbraw/zinc/77/96/57/587779657.db2.gz IZBJUPVZVIQPRZ-GNVQUDOXSA-N 1 0 244.382 3.154 20 10 BGCDRO C[C@@H]1CC[C@H]1[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835052973 587779543 /nfs/dbraw/zinc/77/95/43/587779543.db2.gz IZBJUPVZVIQPRZ-LVQRLBQTSA-N 1 0 244.382 3.154 20 10 BGCDRO C[C@@H]1CC[C@H]1[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835052975 587779589 /nfs/dbraw/zinc/77/95/89/587779589.db2.gz IZBJUPVZVIQPRZ-WSXGPOFGSA-N 1 0 244.382 3.154 20 10 BGCDRO CCC1([NH2+]C/C=C/c2ccc(N(C)C)cc2)CC1 ZINC000835053961 587779621 /nfs/dbraw/zinc/77/96/21/587779621.db2.gz GGDGHKZBLDHAJP-AATRIKPKSA-N 1 0 244.382 3.298 20 10 BGCDRO CCC1([NH2+]C/C=C\c2ccc(N(C)C)cc2)CC1 ZINC000835053964 587779625 /nfs/dbraw/zinc/77/96/25/587779625.db2.gz GGDGHKZBLDHAJP-WAYWQWQTSA-N 1 0 244.382 3.298 20 10 BGCDRO C[C@@H]1C[C@H](C)[N@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835055234 587779577 /nfs/dbraw/zinc/77/95/77/587779577.db2.gz XURVNYYZDWRAKO-DLPZHFSESA-N 1 0 244.382 3.249 20 10 BGCDRO C[C@@H]1C[C@@H](C)[NH+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835055235 587779662 /nfs/dbraw/zinc/77/96/62/587779662.db2.gz XURVNYYZDWRAKO-HLMASZERSA-N 1 0 244.382 3.249 20 10 BGCDRO C[C@@H]1C[C@@H](C)[NH+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835055304 587779538 /nfs/dbraw/zinc/77/95/38/587779538.db2.gz XURVNYYZDWRAKO-QAMKJQMISA-N 1 0 244.382 3.249 20 10 BGCDRO C[C@@H]1C[C@H](C)[N@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835055306 587779713 /nfs/dbraw/zinc/77/97/13/587779713.db2.gz XURVNYYZDWRAKO-YOQOKRQFSA-N 1 0 244.382 3.249 20 10 BGCDRO CC/C=C/C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055587 587779531 /nfs/dbraw/zinc/77/95/31/587779531.db2.gz WXVMTNYSRHBCKM-BSWSSELBSA-N 1 0 244.382 3.322 20 10 BGCDRO CC/C=C\C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835055588 587779720 /nfs/dbraw/zinc/77/97/20/587779720.db2.gz WXVMTNYSRHBCKM-IGTJQSIKSA-N 1 0 244.382 3.322 20 10 BGCDRO CC/C=C\C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055589 587779548 /nfs/dbraw/zinc/77/95/48/587779548.db2.gz WXVMTNYSRHBCKM-ISTTXYCBSA-N 1 0 244.382 3.322 20 10 BGCDRO CC/C=C/C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835055590 587779596 /nfs/dbraw/zinc/77/95/96/587779596.db2.gz WXVMTNYSRHBCKM-MDAAKZFYSA-N 1 0 244.382 3.322 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835057156 587779785 /nfs/dbraw/zinc/77/97/85/587779785.db2.gz YPUNQKCWOAAGBI-IYKSTZQJSA-N 1 0 244.382 3.250 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835057158 587779505 /nfs/dbraw/zinc/77/95/05/587779505.db2.gz YPUNQKCWOAAGBI-LLYBFZRZSA-N 1 0 244.382 3.250 20 10 BGCDRO CC[C@H]1CC[N@@H+]1C/C=C/c1ccc(N(C)C)cc1 ZINC000835057160 587779585 /nfs/dbraw/zinc/77/95/85/587779585.db2.gz YPUNQKCWOAAGBI-NFAHFFEMSA-N 1 0 244.382 3.250 20 10 BGCDRO CC[C@H]1CC[N@@H+]1C/C=C\c1ccc(N(C)C)cc1 ZINC000835057162 587779651 /nfs/dbraw/zinc/77/96/51/587779651.db2.gz YPUNQKCWOAAGBI-YVACAVLKSA-N 1 0 244.382 3.250 20 10 BGCDRO Oc1ccccc1C[NH2+]CC1(C2CCC2)CCC1 ZINC000835059713 587779717 /nfs/dbraw/zinc/77/97/17/587779717.db2.gz WBLAFSNMUTVXIQ-UHFFFAOYSA-N 1 0 245.366 3.452 20 10 BGCDRO CCC1C[NH+](Cc2cc(Cl)cc(C)c2O)C1 ZINC000835074725 587780142 /nfs/dbraw/zinc/78/01/42/587780142.db2.gz LXAPENUNRMIRTM-UHFFFAOYSA-N 1 0 239.746 3.196 20 10 BGCDRO CCC1C[NH+](C/C=C/c2ccc(N(C)C)cc2)C1 ZINC000835075524 587780012 /nfs/dbraw/zinc/78/00/12/587780012.db2.gz VMCSJQWIZLOHMY-AATRIKPKSA-N 1 0 244.382 3.108 20 10 BGCDRO CCC1C[NH+](C/C=C\c2ccc(N(C)C)cc2)C1 ZINC000835075525 587779866 /nfs/dbraw/zinc/77/98/66/587779866.db2.gz VMCSJQWIZLOHMY-WAYWQWQTSA-N 1 0 244.382 3.108 20 10 BGCDRO Cc1cccc(C[NH+]2CC3(C2)CCCC3)c1O ZINC000839105856 585091229 /nfs/dbraw/zinc/09/12/29/585091229.db2.gz VXVCLBQNYRAGAQ-UHFFFAOYSA-N 1 0 231.339 3.077 20 10 BGCDRO Cc1cccc(C[NH+]2CC3(C2)CCCCC3)c1O ZINC000839131688 585093621 /nfs/dbraw/zinc/09/36/21/585093621.db2.gz DLXJQSAXTCSUEC-UHFFFAOYSA-N 1 0 245.366 3.467 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2CC3(C2)CCCCC3)c1 ZINC000839131831 585093690 /nfs/dbraw/zinc/09/36/90/585093690.db2.gz DRQLQANWWNGMOV-UHFFFAOYSA-N 1 0 245.366 3.467 20 10 BGCDRO Oc1ccc(F)cc1C[NH+]1CC2(C1)CCCCC2 ZINC000839131887 585094136 /nfs/dbraw/zinc/09/41/36/585094136.db2.gz GGNVFYOEWDNUPH-UHFFFAOYSA-N 1 0 249.329 3.297 20 10 BGCDRO CCC1(CC)C[NH+](Cc2c(O)cccc2OC)C1 ZINC000839132736 585094141 /nfs/dbraw/zinc/09/41/41/585094141.db2.gz QSIFCCDUUAFFGT-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CCC1(CC)C[NH+](Cc2ccccc2O)C1 ZINC000839132746 585093898 /nfs/dbraw/zinc/09/38/98/585093898.db2.gz RAOVQSIYTGCMGF-UHFFFAOYSA-N 1 0 219.328 3.014 20 10 BGCDRO CCC1(CC)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839132797 585093910 /nfs/dbraw/zinc/09/39/10/585093910.db2.gz RMJBBULVQAZNSK-UHFFFAOYSA-N 1 0 237.318 3.153 20 10 BGCDRO CCC1(CC)C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000839132837 585093889 /nfs/dbraw/zinc/09/38/89/585093889.db2.gz RRSGYGYHBAKGLB-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CCC1(CC)C[NH+](Cc2cc(C)ccc2O)C1 ZINC000839132994 585094212 /nfs/dbraw/zinc/09/42/12/585094212.db2.gz UBYYDASEIWCNGI-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO CCC1(CC)C[NH+](Cc2cccc(C)c2O)C1 ZINC000839133255 585094064 /nfs/dbraw/zinc/09/40/64/585094064.db2.gz YBSCSVTXDVEOCT-UHFFFAOYSA-N 1 0 233.355 3.323 20 10 BGCDRO Oc1ccccc1C[NH+]1CC(C2CCCCC2)C1 ZINC000839135289 585094034 /nfs/dbraw/zinc/09/40/34/585094034.db2.gz ARCWLFJFJVECFF-UHFFFAOYSA-N 1 0 245.366 3.404 20 10 BGCDRO Oc1ccccc1C[NH+]1CC(C2CCCC2)C1 ZINC000839141838 585094980 /nfs/dbraw/zinc/09/49/80/585094980.db2.gz BSBRZLLNUOIAPA-UHFFFAOYSA-N 1 0 231.339 3.014 20 10 BGCDRO CCC1(C)C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC000839142395 585094735 /nfs/dbraw/zinc/09/47/35/585094735.db2.gz FNUWURNUELZXDY-UHFFFAOYSA-N 1 0 239.746 3.278 20 10 BGCDRO CCC1(C)C[NH+](Cc2cc(C)c(C)cc2O)C1 ZINC000839142512 585094714 /nfs/dbraw/zinc/09/47/14/585094714.db2.gz HSXJTVZRQDBXNI-UHFFFAOYSA-N 1 0 233.355 3.241 20 10 BGCDRO Cc1cccc(C[NH+]2CC(C3CCCC3)C2)c1O ZINC000839142712 585094685 /nfs/dbraw/zinc/09/46/85/585094685.db2.gz KOEWYQHDBLUOOY-UHFFFAOYSA-N 1 0 245.366 3.323 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2CC(C3CCCC3)C2)c1 ZINC000839142749 585094822 /nfs/dbraw/zinc/09/48/22/585094822.db2.gz LHABCJIKPAUHAL-UHFFFAOYSA-N 1 0 245.366 3.323 20 10 BGCDRO CCOc1ccc(O)c(C[NH+]2CC(C)(CC)C2)c1 ZINC000839142997 585094909 /nfs/dbraw/zinc/09/49/09/585094909.db2.gz NCVPWIQWOYSMEL-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO CCC1(C)C[NH+](Cc2c(O)cccc2Cl)C1 ZINC000839143397 585094815 /nfs/dbraw/zinc/09/48/15/585094815.db2.gz PPEPTLAXIJONMN-UHFFFAOYSA-N 1 0 239.746 3.278 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2CC(C(C)(C)C)C2)c1 ZINC000839143684 585094985 /nfs/dbraw/zinc/09/49/85/585094985.db2.gz AZNVXKKGEARUAD-UHFFFAOYSA-N 1 0 233.355 3.179 20 10 BGCDRO Cc1cccc(C[NH+]2CC(C(C)(C)C)C2)c1O ZINC000839143874 585094917 /nfs/dbraw/zinc/09/49/17/585094917.db2.gz DJBFVDRBDWUIFR-UHFFFAOYSA-N 1 0 233.355 3.179 20 10 BGCDRO CC(C)(C)C1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839144014 585094683 /nfs/dbraw/zinc/09/46/83/585094683.db2.gz FFKRAQIMPCAKFG-UHFFFAOYSA-N 1 0 237.318 3.009 20 10 BGCDRO CCOc1ccc(C[NH+]2CC(C)(CC)C2)c(O)c1 ZINC000839144474 585094966 /nfs/dbraw/zinc/09/49/66/585094966.db2.gz XOEXOSXLTGRSQA-UHFFFAOYSA-N 1 0 249.354 3.023 20 10 BGCDRO Oc1ccc(F)cc1C[NH+]1CC(C2CCCC2)C1 ZINC000839145023 585092223 /nfs/dbraw/zinc/09/22/23/585092223.db2.gz WVKGBYLCVAZBCH-UHFFFAOYSA-N 1 0 249.329 3.153 20 10 BGCDRO CCO[C@H]1C[C@@H]([NH2+][C@H](CC)c2ccccc2O)C1 ZINC000839147490 585092419 /nfs/dbraw/zinc/09/24/19/585092419.db2.gz KJJPOSRTTSATHV-MBNYWOFBSA-N 1 0 249.354 3.000 20 10 BGCDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000839147491 585092315 /nfs/dbraw/zinc/09/23/15/585092315.db2.gz KJJPOSRTTSATHV-SCRDCRAPSA-N 1 0 249.354 3.000 20 10 BGCDRO C[N@H+](Cc1ccccc1O)C1CC(C)(C)C1 ZINC000839183713 585096587 /nfs/dbraw/zinc/09/65/87/585096587.db2.gz AMJOUTUUHACNKE-UHFFFAOYSA-N 1 0 219.328 3.013 20 10 BGCDRO C[N@H+](Cc1cc(F)ccc1O)C1CC(C)(C)C1 ZINC000839184297 585096708 /nfs/dbraw/zinc/09/67/08/585096708.db2.gz FWBPAEQZIJWRON-UHFFFAOYSA-N 1 0 237.318 3.152 20 10 BGCDRO COc1ccc(O)c(C[N@H+](C)C2CC(C)(C)C2)c1 ZINC000839184593 585096668 /nfs/dbraw/zinc/09/66/68/585096668.db2.gz KARLBTKOKSHLLY-UHFFFAOYSA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1cccc(C[N@@H+](C)C2CC(C)(C)C2)c1O ZINC000839185097 585096627 /nfs/dbraw/zinc/09/66/27/585096627.db2.gz PLUOMBZZJQVUNT-UHFFFAOYSA-N 1 0 233.355 3.321 20 10 BGCDRO COc1cccc(O)c1C[N@H+](C)C1CC(C)(C)C1 ZINC000839185137 585096727 /nfs/dbraw/zinc/09/67/27/585096727.db2.gz QLJJMCPRZWLLFE-UHFFFAOYSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@H+](C)C2CC(C)(C)C2)c1O ZINC000839185144 585096631 /nfs/dbraw/zinc/09/66/31/585096631.db2.gz QQMRUIAAACJCRI-UHFFFAOYSA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+](C)C2CC(C)(C)C2)c1 ZINC000839185277 585096566 /nfs/dbraw/zinc/09/65/66/585096566.db2.gz RRMDTCPOPUZAMM-UHFFFAOYSA-N 1 0 233.355 3.321 20 10 BGCDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1C ZINC000839186937 585097199 /nfs/dbraw/zinc/09/71/99/585097199.db2.gz TVYHUKPXNIDQNA-ILXRZTDVSA-N 1 0 245.366 3.282 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccccc1O ZINC000839191284 585097376 /nfs/dbraw/zinc/09/73/76/585097376.db2.gz GMFSSVNAWIBSIB-GUTXKFCHSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1ccccc1O ZINC000839191286 585097421 /nfs/dbraw/zinc/09/74/21/585097421.db2.gz GMFSSVNAWIBSIB-NFAWXSAZSA-N 1 0 249.354 3.000 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1C ZINC000839192701 585097450 /nfs/dbraw/zinc/09/74/50/585097450.db2.gz WDVDGFQZTXKYRS-SNPRPXQTSA-N 1 0 245.366 3.287 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1C ZINC000839192708 585097441 /nfs/dbraw/zinc/09/74/41/585097441.db2.gz WDVDGFQZTXKYRS-VHDGCEQUSA-N 1 0 245.366 3.287 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1C[C@@H]1C ZINC000840720457 583915659 /nfs/dbraw/zinc/91/56/59/583915659.db2.gz OWIFRXBOOHYGCO-CQDKDKBSSA-N 1 0 245.366 3.146 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1C[C@H]1C ZINC000840720459 583915450 /nfs/dbraw/zinc/91/54/50/583915450.db2.gz OWIFRXBOOHYGCO-DFBGVHRSSA-N 1 0 245.366 3.146 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H]1C[C@@H]1C ZINC000840720461 583915596 /nfs/dbraw/zinc/91/55/96/583915596.db2.gz OWIFRXBOOHYGCO-GLQYFDAESA-N 1 0 245.366 3.146 20 10 BGCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H]1C[C@H]1C ZINC000840720462 583915565 /nfs/dbraw/zinc/91/55/65/583915565.db2.gz OWIFRXBOOHYGCO-UGFHNGPFSA-N 1 0 245.366 3.146 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000840724411 587918351 /nfs/dbraw/zinc/91/83/51/587918351.db2.gz VTPSYDLFJAAKMT-IOASZLSFSA-N 1 0 246.398 3.195 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000840724412 587917920 /nfs/dbraw/zinc/91/79/20/587917920.db2.gz VTPSYDLFJAAKMT-WOSRLPQWSA-N 1 0 246.398 3.195 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000840724413 587917983 /nfs/dbraw/zinc/91/79/83/587917983.db2.gz VTPSYDLFJAAKMT-XJKCOSOUSA-N 1 0 246.398 3.195 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000840724414 587918087 /nfs/dbraw/zinc/91/80/87/587918087.db2.gz VTPSYDLFJAAKMT-ZENOOKHLSA-N 1 0 246.398 3.195 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC000840818225 587923350 /nfs/dbraw/zinc/92/33/50/587923350.db2.gz ADZYUBHWYFPJJF-RFGFWPKPSA-N 1 0 243.350 3.158 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC000840818226 587923185 /nfs/dbraw/zinc/92/31/85/587923185.db2.gz ADZYUBHWYFPJJF-RQJABVFESA-N 1 0 243.350 3.158 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCC[C@@H]3C[C@@H]31)CC2 ZINC000840818227 587923157 /nfs/dbraw/zinc/92/31/57/587923157.db2.gz ADZYUBHWYFPJJF-ZOBORPQBSA-N 1 0 243.350 3.158 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000840819206 587923201 /nfs/dbraw/zinc/92/32/01/587923201.db2.gz FUHQVHQULGOANX-MHDGFBEUSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000840819208 587923149 /nfs/dbraw/zinc/92/31/49/587923149.db2.gz FUHQVHQULGOANX-RFHZTLPTSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1O ZINC000840819210 587923033 /nfs/dbraw/zinc/92/30/33/587923033.db2.gz FUHQVHQULGOANX-XCCSTKFXSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)ccc1O ZINC000840823433 587923750 /nfs/dbraw/zinc/92/37/50/587923750.db2.gz ZLRPDQXPHIQSCN-DJBIQUGXSA-N 1 0 249.329 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)ccc1O ZINC000840823435 587923512 /nfs/dbraw/zinc/92/35/12/587923512.db2.gz ZLRPDQXPHIQSCN-JYILRKAJSA-N 1 0 249.329 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cc(F)ccc1O ZINC000840823437 587923684 /nfs/dbraw/zinc/92/36/84/587923684.db2.gz ZLRPDQXPHIQSCN-XYHOJCAOSA-N 1 0 249.329 3.371 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CC2(C)C)c(O)c1 ZINC000840851199 587925560 /nfs/dbraw/zinc/92/55/60/587925560.db2.gz ATICDPWRQSMTHT-AAEUAGOBSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CC2(C)C)c(O)c1 ZINC000840851200 587925613 /nfs/dbraw/zinc/92/56/13/587925613.db2.gz ATICDPWRQSMTHT-YPMHNXCESA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)c(O)c1C ZINC000840852502 587925715 /nfs/dbraw/zinc/92/57/15/587925715.db2.gz ZRBBIEDSLWWYOV-AAEUAGOBSA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)c(O)c1C ZINC000840852505 587925574 /nfs/dbraw/zinc/92/55/74/587925574.db2.gz ZRBBIEDSLWWYOV-YPMHNXCESA-N 1 0 233.355 3.458 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2CCCC2)c(Cl)c1 ZINC000840871271 582867753 /nfs/dbraw/zinc/86/77/53/582867753.db2.gz BSKMHMPEJSYRJH-UHFFFAOYSA-N 1 0 239.746 3.386 20 10 BGCDRO CC[C@@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840872147 587926941 /nfs/dbraw/zinc/92/69/41/587926941.db2.gz IYCBIBYHYAQHCB-SECBINFHSA-N 1 0 227.735 3.242 20 10 BGCDRO CC[C@H](C)[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840872149 587926219 /nfs/dbraw/zinc/92/62/19/587926219.db2.gz IYCBIBYHYAQHCB-VIFPVBQESA-N 1 0 227.735 3.242 20 10 BGCDRO CCCC[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000840873225 587927036 /nfs/dbraw/zinc/92/70/36/587927036.db2.gz QBNNIVOVIWAXSM-UHFFFAOYSA-N 1 0 227.735 3.244 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC(C)C)c(Cl)c1 ZINC000840873646 587927107 /nfs/dbraw/zinc/92/71/07/587927107.db2.gz SYSGCGYYMYWXQB-UHFFFAOYSA-N 1 0 227.735 3.100 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H](C)C2CC2)c(Cl)c1 ZINC000840875024 587926953 /nfs/dbraw/zinc/92/69/53/587926953.db2.gz BYMDWLWRHCZWNM-SECBINFHSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H](C)C2CC2)c(Cl)c1 ZINC000840875027 587927203 /nfs/dbraw/zinc/92/72/03/587927203.db2.gz BYMDWLWRHCZWNM-VIFPVBQESA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@H]2C)c(Cl)c1 ZINC000840875429 587927253 /nfs/dbraw/zinc/92/72/53/587927253.db2.gz GUHOAQIDDROXKB-NXEZZACHSA-N 1 0 239.746 3.100 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@@H]2C)c(Cl)c1 ZINC000840875430 587927239 /nfs/dbraw/zinc/92/72/39/587927239.db2.gz GUHOAQIDDROXKB-UWVGGRQHSA-N 1 0 239.746 3.100 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@@H]2C)c(Cl)c1 ZINC000840875431 582872780 /nfs/dbraw/zinc/87/27/80/582872780.db2.gz GUHOAQIDDROXKB-VHSXEESVSA-N 1 0 239.746 3.100 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C[C@H]2C)c(Cl)c1 ZINC000840875432 582873016 /nfs/dbraw/zinc/87/30/16/582873016.db2.gz GUHOAQIDDROXKB-ZJUUUORDSA-N 1 0 239.746 3.100 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCC[C@H]1F)CC2 ZINC000840876386 587927071 /nfs/dbraw/zinc/92/70/71/587927071.db2.gz PQYAPUFCDLOQFF-JHJVBQTASA-N 1 0 249.329 3.250 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)CC2 ZINC000840876387 587927050 /nfs/dbraw/zinc/92/70/50/587927050.db2.gz PQYAPUFCDLOQFF-UPJWGTAASA-N 1 0 249.329 3.250 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1O ZINC000840877081 587927728 /nfs/dbraw/zinc/92/77/28/587927728.db2.gz XAVPQLGSZZEFKI-CYZMBNFOSA-N 1 0 237.318 3.324 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccccc1O ZINC000840877083 587927491 /nfs/dbraw/zinc/92/74/91/587927491.db2.gz XAVPQLGSZZEFKI-RAIGVLPGSA-N 1 0 237.318 3.324 20 10 BGCDRO COC1([C@H](C)[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000840884912 587928189 /nfs/dbraw/zinc/92/81/89/587928189.db2.gz RYFGVXUYWDQUDU-NEPJUHHUSA-N 1 0 249.354 3.000 20 10 BGCDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000840884913 587928254 /nfs/dbraw/zinc/92/82/54/587928254.db2.gz RYFGVXUYWDQUDU-NWDGAFQWSA-N 1 0 249.354 3.000 20 10 BGCDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccccc2O)CCC1 ZINC000840884914 587928066 /nfs/dbraw/zinc/92/80/66/587928066.db2.gz RYFGVXUYWDQUDU-RYUDHWBXSA-N 1 0 249.354 3.000 20 10 BGCDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccccc2O)CCC1 ZINC000840884916 587927910 /nfs/dbraw/zinc/92/79/10/587927910.db2.gz RYFGVXUYWDQUDU-VXGBXAGGSA-N 1 0 249.354 3.000 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC2CCC2)c(Cl)c1 ZINC000840886030 587928162 /nfs/dbraw/zinc/92/81/62/587928162.db2.gz LTUCFUMAVDEFJK-UHFFFAOYSA-N 1 0 239.746 3.244 20 10 BGCDRO CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840891497 587928890 /nfs/dbraw/zinc/92/88/90/587928890.db2.gz HYQGOPLIUIBZSS-KBPBESRZSA-N 1 0 248.414 3.380 20 10 BGCDRO CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840891499 587928773 /nfs/dbraw/zinc/92/87/73/587928773.db2.gz HYQGOPLIUIBZSS-KGLIPLIRSA-N 1 0 248.414 3.380 20 10 BGCDRO CC[C@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840891501 587928936 /nfs/dbraw/zinc/92/89/36/587928936.db2.gz HYQGOPLIUIBZSS-UONOGXRCSA-N 1 0 248.414 3.380 20 10 BGCDRO CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840891502 587928547 /nfs/dbraw/zinc/92/85/47/587928547.db2.gz HYQGOPLIUIBZSS-ZIAGYGMSSA-N 1 0 248.414 3.380 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2CC(C)C2)c(Cl)c1 ZINC000840901757 587928526 /nfs/dbraw/zinc/92/85/26/587928526.db2.gz IKJZJUUTYUAPAL-UHFFFAOYSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC2(C)CC2)c(Cl)c1 ZINC000840901824 587929024 /nfs/dbraw/zinc/92/90/24/587929024.db2.gz KLGQQMKUQAIOCS-UHFFFAOYSA-N 1 0 239.746 3.244 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CCC2CC2)c(Cl)c1 ZINC000840903714 587928463 /nfs/dbraw/zinc/92/84/63/587928463.db2.gz HXNGAZBRSLMQKI-UHFFFAOYSA-N 1 0 239.746 3.244 20 10 BGCDRO CC[NH+](CC)Cc1c(O)cc(C)cc1Cl ZINC000840907558 587928676 /nfs/dbraw/zinc/92/86/76/587928676.db2.gz HHIQFBWQJGLNIJ-UHFFFAOYSA-N 1 0 227.735 3.196 20 10 BGCDRO CCC[N@H+](C)Cc1c(O)cc(C)cc1Cl ZINC000840909425 587929790 /nfs/dbraw/zinc/92/97/90/587929790.db2.gz BJTURPYMVLOLNP-UHFFFAOYSA-N 1 0 227.735 3.196 20 10 BGCDRO CC[N@H+](Cc1c(O)cc(C)cc1Cl)C1CC1 ZINC000840909526 587929385 /nfs/dbraw/zinc/92/93/85/587929385.db2.gz FAHKANBABKYSCE-UHFFFAOYSA-N 1 0 239.746 3.338 20 10 BGCDRO CC[C@@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840909950 587928270 /nfs/dbraw/zinc/92/82/70/587928270.db2.gz JAMHBCYZTSMRHT-CYBMUJFWSA-N 1 0 234.387 3.291 20 10 BGCDRO CC[C@H](C)[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000840909952 587928139 /nfs/dbraw/zinc/92/81/39/587928139.db2.gz JAMHBCYZTSMRHT-ZDUSSCGKSA-N 1 0 234.387 3.291 20 10 BGCDRO Cc1cc(O)c(C[N@H+](C)CC2CC2)c(Cl)c1 ZINC000840910074 587929181 /nfs/dbraw/zinc/92/91/81/587929181.db2.gz FEQKOXYPAUFMOF-UHFFFAOYSA-N 1 0 239.746 3.196 20 10 BGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1C)C1CC1 ZINC000840910165 587929472 /nfs/dbraw/zinc/92/94/72/587929472.db2.gz LRWMXBQGIZBZCD-UHFFFAOYSA-N 1 0 232.371 3.045 20 10 BGCDRO CC[N@H+](Cc1ccc(N(C)C)cc1C)C(C)C ZINC000840910661 587929578 /nfs/dbraw/zinc/92/95/78/587929578.db2.gz WAEBZTRASULYIB-UHFFFAOYSA-N 1 0 234.387 3.291 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)C1CC1 ZINC000840910809 587929633 /nfs/dbraw/zinc/92/96/33/587929633.db2.gz SEZIFDRLSCCGKC-CYBMUJFWSA-N 1 0 246.398 3.291 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@@H](C)C1CC1 ZINC000840910810 587929859 /nfs/dbraw/zinc/92/98/59/587929859.db2.gz SEZIFDRLSCCGKC-ZDUSSCGKSA-N 1 0 246.398 3.291 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH+]1C2CCC1CC2 ZINC000840910959 587929318 /nfs/dbraw/zinc/92/93/18/587929318.db2.gz YMGJSQZJGOHXFQ-UHFFFAOYSA-N 1 0 244.382 3.188 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@H]1C ZINC000840916750 587929185 /nfs/dbraw/zinc/92/91/85/587929185.db2.gz CLXVHHZGIJSGQF-CYBMUJFWSA-N 1 0 232.371 3.045 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1CCC[C@@H]1C ZINC000840916751 587929601 /nfs/dbraw/zinc/92/96/01/587929601.db2.gz CLXVHHZGIJSGQF-ZDUSSCGKSA-N 1 0 232.371 3.045 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C1CCC1 ZINC000840917045 587929187 /nfs/dbraw/zinc/92/91/87/587929187.db2.gz FQSMSHZTNQKGAU-UHFFFAOYSA-N 1 0 232.371 3.045 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@@H]2C)c(Cl)c1 ZINC000840918724 587929683 /nfs/dbraw/zinc/92/96/83/587929683.db2.gz WXKXHAAASCHQJO-JTQLQIEISA-N 1 0 239.746 3.338 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CCC[C@H]2C)c(Cl)c1 ZINC000840918725 587929735 /nfs/dbraw/zinc/92/97/35/587929735.db2.gz WXKXHAAASCHQJO-SNVBAGLBSA-N 1 0 239.746 3.338 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCCCC1 ZINC000840919716 587929637 /nfs/dbraw/zinc/92/96/37/587929637.db2.gz BMHJKGVQFAMDLA-UHFFFAOYSA-N 1 0 232.371 3.047 20 10 BGCDRO Cc1cc(O)c(C[NH+]2CCCCC2)c(Cl)c1 ZINC000840921412 587930247 /nfs/dbraw/zinc/93/02/47/587930247.db2.gz ZQOGUTGFEVSMAQ-UHFFFAOYSA-N 1 0 239.746 3.340 20 10 BGCDRO CCC(C)(C)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840933857 587930549 /nfs/dbraw/zinc/93/05/49/587930549.db2.gz UJLLIFIPVJXUPC-UHFFFAOYSA-N 1 0 234.387 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CC=CCC1 ZINC000840934136 711738329 /nfs/dbraw/zinc/73/83/29/711738329.db2.gz MTIHHKNDXXLQDB-HNNXBMFYSA-N 1 0 244.382 3.259 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC=CCC1 ZINC000840934138 711738059 /nfs/dbraw/zinc/73/80/59/711738059.db2.gz MTIHHKNDXXLQDB-OAHLLOKOSA-N 1 0 244.382 3.259 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C(C)(C)C1CC1 ZINC000840934582 587930853 /nfs/dbraw/zinc/93/08/53/587930853.db2.gz TVDWQQFUWHEZNG-UHFFFAOYSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000840935269 587930829 /nfs/dbraw/zinc/93/08/29/587930829.db2.gz KBIYUAUJBLLXRP-UHFFFAOYSA-N 1 0 244.382 3.093 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C)CCC1 ZINC000840936333 587930895 /nfs/dbraw/zinc/93/08/95/587930895.db2.gz JRZCTYGPTLWVGR-UHFFFAOYSA-N 1 0 232.371 3.093 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2CC=CCC2)c(Cl)c1 ZINC000840936499 587930515 /nfs/dbraw/zinc/93/05/15/587930515.db2.gz KGQZLGSZRCBFLS-UHFFFAOYSA-N 1 0 237.730 3.116 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2[C@H](C)C[C@@H]2C)c(Cl)c1 ZINC000840940607 587930805 /nfs/dbraw/zinc/93/08/05/587930805.db2.gz AFMZFPXTOSJLFT-AOOOYVTPSA-N 1 0 239.746 3.337 20 10 BGCDRO Cc1cc(O)c(C[NH+]2[C@H](C)C[C@H]2C)c(Cl)c1 ZINC000840940609 587930777 /nfs/dbraw/zinc/93/07/77/587930777.db2.gz AFMZFPXTOSJLFT-NXEZZACHSA-N 1 0 239.746 3.337 20 10 BGCDRO Cc1cc(O)c(C[NH+]2[C@@H](C)C[C@@H]2C)c(Cl)c1 ZINC000840940611 587930892 /nfs/dbraw/zinc/93/08/92/587930892.db2.gz AFMZFPXTOSJLFT-UWVGGRQHSA-N 1 0 239.746 3.337 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000840940969 587930455 /nfs/dbraw/zinc/93/04/55/587930455.db2.gz LGXRMMOOLPGSGG-BETUJISGSA-N 1 0 232.371 3.044 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH+]1[C@H](C)C[C@H]1C ZINC000840940970 587930506 /nfs/dbraw/zinc/93/05/06/587930506.db2.gz LGXRMMOOLPGSGG-CHWSQXEVSA-N 1 0 232.371 3.044 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000840940971 587930493 /nfs/dbraw/zinc/93/04/93/587930493.db2.gz LGXRMMOOLPGSGG-STQMWFEESA-N 1 0 232.371 3.044 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H]2C)c(Cl)c1 ZINC000840945763 587931338 /nfs/dbraw/zinc/93/13/38/587931338.db2.gz BAPFTGUDRNSAHI-BXKDBHETSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@@H]2C)c(Cl)c1 ZINC000840945765 587931329 /nfs/dbraw/zinc/93/13/29/587931329.db2.gz BAPFTGUDRNSAHI-CABZTGNLSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@@H]2C)c(Cl)c1 ZINC000840945767 587931391 /nfs/dbraw/zinc/93/13/91/587931391.db2.gz BAPFTGUDRNSAHI-JOYOIKCWSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2CC[C@H]2C)c(Cl)c1 ZINC000840945769 587931148 /nfs/dbraw/zinc/93/11/48/587931148.db2.gz BAPFTGUDRNSAHI-SKDRFNHKSA-N 1 0 239.746 3.242 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C(C)C)CC1 ZINC000840948204 583176937 /nfs/dbraw/zinc/17/69/37/583176937.db2.gz BSVVKMDJVCKCIZ-UHFFFAOYSA-N 1 0 246.398 3.339 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000840950019 587931879 /nfs/dbraw/zinc/93/18/79/587931879.db2.gz DWDCUQZGXUTEEL-INIZCTEOSA-N 1 0 244.382 3.045 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000840950021 635340911 /nfs/dbraw/zinc/34/09/11/635340911.db2.gz DWDCUQZGXUTEEL-MRXNPFEDSA-N 1 0 244.382 3.045 20 10 BGCDRO CCC1([NH2+]Cc2ccc(N(C)C)cc2C)CC1 ZINC000840950172 587931635 /nfs/dbraw/zinc/93/16/35/587931635.db2.gz FPJAIANPAHUHAV-UHFFFAOYSA-N 1 0 232.371 3.093 20 10 BGCDRO CC/C=C\C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840950859 587932070 /nfs/dbraw/zinc/93/20/70/587932070.db2.gz PUOOSEXZRIZRNB-SREVYHEPSA-N 1 0 232.371 3.117 20 10 BGCDRO CC/C=C/C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840950860 587931951 /nfs/dbraw/zinc/93/19/51/587931951.db2.gz PUOOSEXZRIZRNB-VOTSOKGWSA-N 1 0 232.371 3.117 20 10 BGCDRO CC[C@H]1CC[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840951261 587931722 /nfs/dbraw/zinc/93/17/22/587931722.db2.gz ZGYRYICCDYZECY-JTQLQIEISA-N 1 0 239.746 3.338 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1Cc1c(O)cc(C)cc1Cl ZINC000840951262 587932050 /nfs/dbraw/zinc/93/20/50/587932050.db2.gz ZGYRYICCDYZECY-SNVBAGLBSA-N 1 0 239.746 3.338 20 10 BGCDRO CC[C@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840951272 583178276 /nfs/dbraw/zinc/17/82/76/583178276.db2.gz ZYKQMUWNLDDFGB-AWEZNQCLSA-N 1 0 232.371 3.045 20 10 BGCDRO CC[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1C ZINC000840951273 583178335 /nfs/dbraw/zinc/17/83/35/583178335.db2.gz ZYKQMUWNLDDFGB-CQSZACIVSA-N 1 0 232.371 3.045 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CC2(C)C)cc1 ZINC000840956120 587931556 /nfs/dbraw/zinc/93/15/56/587931556.db2.gz CSYLIEPTFNQDGX-NFAHFFEMSA-N 1 0 244.382 3.154 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CC2(C)C)cc1 ZINC000840956121 587931914 /nfs/dbraw/zinc/93/19/14/587931914.db2.gz CSYLIEPTFNQDGX-YVACAVLKSA-N 1 0 244.382 3.154 20 10 BGCDRO CC1(C)C[C@@H]1[NH2+]Cc1cc(Cl)c(F)cc1[O-] ZINC000840956328 587931788 /nfs/dbraw/zinc/93/17/88/587931788.db2.gz PAHSQQIPEHORAI-NSHDSACASA-N 1 0 243.709 3.073 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2F)c1O ZINC000840962703 587932506 /nfs/dbraw/zinc/93/25/06/587932506.db2.gz MWFSWWAYJOZEOZ-CHWSQXEVSA-N 1 0 237.318 3.071 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@H]2F)c1 ZINC000840963328 587932280 /nfs/dbraw/zinc/93/22/80/587932280.db2.gz QOCBJNFHIOJIIU-CHWSQXEVSA-N 1 0 237.318 3.071 20 10 BGCDRO Cc1cccc(C[N@H+]2CC(C)(C)C[C@H]2C)c1O ZINC000840969243 587932440 /nfs/dbraw/zinc/93/24/40/587932440.db2.gz CTXFDISNJGYIOA-GFCCVEGCSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1cccc(C[N@H+]2CC(C)(C)C[C@@H]2C)c1O ZINC000840969244 583205316 /nfs/dbraw/zinc/20/53/16/583205316.db2.gz CTXFDISNJGYIOA-LBPRGKRZSA-N 1 0 233.355 3.321 20 10 BGCDRO CC[N@H+](Cc1occc1C)Cc1ccccc1O ZINC000840969255 587932427 /nfs/dbraw/zinc/93/24/27/587932427.db2.gz AZGSZRFZQKDGRO-UHFFFAOYSA-N 1 0 245.322 3.316 20 10 BGCDRO COc1cccc(O)c1C[N@@H+]1CC(C)(C)C[C@H]1C ZINC000840969321 587932984 /nfs/dbraw/zinc/93/29/84/587932984.db2.gz FATZHAOFWYHFGU-LLVKDONJSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(O)c1C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC000840969322 587932875 /nfs/dbraw/zinc/93/28/75/587932875.db2.gz FATZHAOFWYHFGU-NSHDSACASA-N 1 0 249.354 3.021 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CC(C)(C)C[C@H]2C)c1 ZINC000840969852 587933306 /nfs/dbraw/zinc/93/33/06/587933306.db2.gz LZTBSIHMNVHBEQ-GFCCVEGCSA-N 1 0 233.355 3.321 20 10 BGCDRO Cc1ccc(O)c(C[N@H+]2CC(C)(C)C[C@@H]2C)c1 ZINC000840969854 587932960 /nfs/dbraw/zinc/93/29/60/587932960.db2.gz LZTBSIHMNVHBEQ-LBPRGKRZSA-N 1 0 233.355 3.321 20 10 BGCDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000840969901 587932833 /nfs/dbraw/zinc/93/28/33/587932833.db2.gz MPPBJNVSNFCALH-JTQLQIEISA-N 1 0 237.318 3.152 20 10 BGCDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)ccc1O ZINC000840969905 587933365 /nfs/dbraw/zinc/93/33/65/587933365.db2.gz MPPBJNVSNFCALH-SNVBAGLBSA-N 1 0 237.318 3.152 20 10 BGCDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccccc1O ZINC000840970035 587933243 /nfs/dbraw/zinc/93/32/43/587933243.db2.gz OFLRJCWJRGURLZ-LLVKDONJSA-N 1 0 219.328 3.013 20 10 BGCDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccccc1O ZINC000840970038 587932849 /nfs/dbraw/zinc/93/28/49/587932849.db2.gz OFLRJCWJRGURLZ-NSHDSACASA-N 1 0 219.328 3.013 20 10 BGCDRO COc1cccc(C[N@@H+]2CC(C)(C)C[C@H]2C)c1O ZINC000840970075 587933399 /nfs/dbraw/zinc/93/33/99/587933399.db2.gz OXDLRKLTRODWLY-LLVKDONJSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1cccc(C[N@@H+]2CC(C)(C)C[C@@H]2C)c1O ZINC000840970077 587933262 /nfs/dbraw/zinc/93/32/62/587933262.db2.gz OXDLRKLTRODWLY-NSHDSACASA-N 1 0 249.354 3.021 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)C[C@H]2C)c1 ZINC000840970874 587933030 /nfs/dbraw/zinc/93/30/30/587933030.db2.gz YYBQJEFNQINKRC-LLVKDONJSA-N 1 0 249.354 3.021 20 10 BGCDRO COc1ccc(O)c(C[N@@H+]2CC(C)(C)C[C@@H]2C)c1 ZINC000840970875 587933121 /nfs/dbraw/zinc/93/31/21/587933121.db2.gz YYBQJEFNQINKRC-NSHDSACASA-N 1 0 249.354 3.021 20 10 BGCDRO CC[N@H+](Cc1ccccc1O)C1CC(C)(C)C1 ZINC000840971534 587932942 /nfs/dbraw/zinc/93/29/42/587932942.db2.gz OMKKGGLPZJERLN-UHFFFAOYSA-N 1 0 233.355 3.403 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[C@H](C)[NH2+]CC(C)C ZINC000840976150 587933378 /nfs/dbraw/zinc/93/33/78/587933378.db2.gz MMPNGXUVTWQZFE-AWEZNQCLSA-N 1 0 248.414 3.238 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[C@@H](C)[NH2+]CC(C)C ZINC000840976151 587933416 /nfs/dbraw/zinc/93/34/16/587933416.db2.gz MMPNGXUVTWQZFE-CQSZACIVSA-N 1 0 248.414 3.238 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000840976782 587933333 /nfs/dbraw/zinc/93/33/33/587933333.db2.gz FYYDWHZRCKPEQY-CYBMUJFWSA-N 1 0 231.339 3.014 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000840976784 587933236 /nfs/dbraw/zinc/93/32/36/587933236.db2.gz FYYDWHZRCKPEQY-ZDUSSCGKSA-N 1 0 231.339 3.014 20 10 BGCDRO Cc1cccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1O ZINC000840977408 587933247 /nfs/dbraw/zinc/93/32/47/587933247.db2.gz IEHCEOSGOGBVFN-AWEZNQCLSA-N 1 0 245.366 3.323 20 10 BGCDRO Cc1cccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1O ZINC000840977410 587933150 /nfs/dbraw/zinc/93/31/50/587933150.db2.gz IEHCEOSGOGBVFN-CQSZACIVSA-N 1 0 245.366 3.323 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000840979539 587933066 /nfs/dbraw/zinc/93/30/66/587933066.db2.gz XAVRKDBXHWRECD-GFCCVEGCSA-N 1 0 249.329 3.153 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000840979541 587932978 /nfs/dbraw/zinc/93/29/78/587932978.db2.gz XAVRKDBXHWRECD-LBPRGKRZSA-N 1 0 249.329 3.153 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000840979685 587933044 /nfs/dbraw/zinc/93/30/44/587933044.db2.gz ZUFBPETUZUKTMB-AWEZNQCLSA-N 1 0 245.366 3.323 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000840979686 587933277 /nfs/dbraw/zinc/93/32/77/587933277.db2.gz ZUFBPETUZUKTMB-CQSZACIVSA-N 1 0 245.366 3.323 20 10 BGCDRO CCC1CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000841033793 584032779 /nfs/dbraw/zinc/03/27/79/584032779.db2.gz BGZHTYORFGZVQD-UHFFFAOYSA-N 1 0 246.398 3.370 20 10 BGCDRO CC1(C)CCCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841033809 587937248 /nfs/dbraw/zinc/93/72/48/587937248.db2.gz BKVNMSRDFCHDRV-HNNXBMFYSA-N 1 0 246.398 3.370 20 10 BGCDRO CC1(C)CCCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841033810 587937300 /nfs/dbraw/zinc/93/73/00/587937300.db2.gz BKVNMSRDFCHDRV-OAHLLOKOSA-N 1 0 246.398 3.370 20 10 BGCDRO C[C@H]1CCCC[C@@H]1C[NH2+]CCc1ccc(N)cc1 ZINC000841034208 587936850 /nfs/dbraw/zinc/93/68/50/587936850.db2.gz GOWRDBUDMPSBID-DZGCQCFKSA-N 1 0 246.398 3.227 20 10 BGCDRO C[C@@H]1CCCC[C@H]1C[NH2+]CCc1ccc(N)cc1 ZINC000841034210 587937286 /nfs/dbraw/zinc/93/72/86/587937286.db2.gz GOWRDBUDMPSBID-HIFRSBDPSA-N 1 0 246.398 3.227 20 10 BGCDRO C[C@@H]1CCCC[C@@H]1C[NH2+]CCc1ccc(N)cc1 ZINC000841034213 587937157 /nfs/dbraw/zinc/93/71/57/587937157.db2.gz GOWRDBUDMPSBID-UKRRQHHQSA-N 1 0 246.398 3.227 20 10 BGCDRO C[C@H]1CCCC[C@H]1C[NH2+]CCc1ccc(N)cc1 ZINC000841034216 587936922 /nfs/dbraw/zinc/93/69/22/587936922.db2.gz GOWRDBUDMPSBID-ZFWWWQNUSA-N 1 0 246.398 3.227 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841035087 587937072 /nfs/dbraw/zinc/93/70/72/587937072.db2.gz KKCYBZLWBANYNN-DVOMOZLQSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@H](C)C1 ZINC000841035088 587937380 /nfs/dbraw/zinc/93/73/80/587937380.db2.gz KKCYBZLWBANYNN-IOASZLSFSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H](C)C1 ZINC000841035089 587937370 /nfs/dbraw/zinc/93/73/70/587937370.db2.gz KKCYBZLWBANYNN-WWGRRREGSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@H](C)C1 ZINC000841035090 587937218 /nfs/dbraw/zinc/93/72/18/587937218.db2.gz KKCYBZLWBANYNN-XJKCOSOUSA-N 1 0 246.398 3.226 20 10 BGCDRO CC1(C)CCC([NH2+]CCc2ccc(N)cc2)CC1 ZINC000841035093 587936981 /nfs/dbraw/zinc/93/69/81/587936981.db2.gz KLISOIJLAMXKHJ-UHFFFAOYSA-N 1 0 246.398 3.370 20 10 BGCDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@H]1C ZINC000841035099 584034852 /nfs/dbraw/zinc/03/48/52/584034852.db2.gz KQJDDUPHPXZRCJ-DVOMOZLQSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H]1C ZINC000841035109 584034617 /nfs/dbraw/zinc/03/46/17/584034617.db2.gz KQJDDUPHPXZRCJ-IOASZLSFSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)[C@H]1C ZINC000841035122 584034506 /nfs/dbraw/zinc/03/45/06/584034506.db2.gz KQJDDUPHPXZRCJ-WWGRRREGSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)[C@@H]1C ZINC000841035125 584034474 /nfs/dbraw/zinc/03/44/74/584034474.db2.gz KQJDDUPHPXZRCJ-XJKCOSOUSA-N 1 0 246.398 3.226 20 10 BGCDRO CC(C)CC[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841035348 587937014 /nfs/dbraw/zinc/93/70/14/587937014.db2.gz MUPKVBDLSBBTGU-CYBMUJFWSA-N 1 0 234.387 3.226 20 10 BGCDRO CC(C)CC[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841035350 587937362 /nfs/dbraw/zinc/93/73/62/587937362.db2.gz MUPKVBDLSBBTGU-ZDUSSCGKSA-N 1 0 234.387 3.226 20 10 BGCDRO CCCC[C@H](CC)[NH2+]CCc1ccc(N)cc1 ZINC000841035834 587938069 /nfs/dbraw/zinc/93/80/69/587938069.db2.gz PHDIWOHRZSCBFX-HNNXBMFYSA-N 1 0 234.387 3.370 20 10 BGCDRO CCCC[C@@H](CC)[NH2+]CCc1ccc(N)cc1 ZINC000841035838 587937494 /nfs/dbraw/zinc/93/74/94/587937494.db2.gz PHDIWOHRZSCBFX-OAHLLOKOSA-N 1 0 234.387 3.370 20 10 BGCDRO CCCC(CCC)[NH2+]CCc1ccc(N)cc1 ZINC000841035975 587937888 /nfs/dbraw/zinc/93/78/88/587937888.db2.gz RIGXUUSTVDAYCU-UHFFFAOYSA-N 1 0 234.387 3.370 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)C[C@@H]1C ZINC000841035980 587937515 /nfs/dbraw/zinc/93/75/15/587937515.db2.gz RKGVHEMCWLHFEP-DVOMOZLQSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)C[C@H]1C ZINC000841035981 587938171 /nfs/dbraw/zinc/93/81/71/587938171.db2.gz RKGVHEMCWLHFEP-IOASZLSFSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)C[C@@H]1C ZINC000841035982 587937761 /nfs/dbraw/zinc/93/77/61/587937761.db2.gz RKGVHEMCWLHFEP-WWGRRREGSA-N 1 0 246.398 3.226 20 10 BGCDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)C[C@H]1C ZINC000841035983 587937911 /nfs/dbraw/zinc/93/79/11/587937911.db2.gz RKGVHEMCWLHFEP-XJKCOSOUSA-N 1 0 246.398 3.226 20 10 BGCDRO CC[C@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841035997 584042729 /nfs/dbraw/zinc/04/27/29/584042729.db2.gz RRPNCCPXRAQIIT-BBRMVZONSA-N 1 0 246.398 3.370 20 10 BGCDRO CC[C@@H]1CCC[C@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841035999 584042978 /nfs/dbraw/zinc/04/29/78/584042978.db2.gz RRPNCCPXRAQIIT-CJNGLKHVSA-N 1 0 246.398 3.370 20 10 BGCDRO CC[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841036001 584042644 /nfs/dbraw/zinc/04/26/44/584042644.db2.gz RRPNCCPXRAQIIT-CZUORRHYSA-N 1 0 246.398 3.370 20 10 BGCDRO CC[C@H]1CCC[C@@H]([NH2+]CCc2ccc(N)cc2)C1 ZINC000841036007 584042843 /nfs/dbraw/zinc/04/28/43/584042843.db2.gz RRPNCCPXRAQIIT-XJKSGUPXSA-N 1 0 246.398 3.370 20 10 BGCDRO C[C@H](CC1CCCC1)[NH2+]CCc1ccc(N)cc1 ZINC000841036509 587937764 /nfs/dbraw/zinc/93/77/64/587937764.db2.gz UAVFIHXULQSSHW-CYBMUJFWSA-N 1 0 246.398 3.370 20 10 BGCDRO C[C@@H](CC1CCCC1)[NH2+]CCc1ccc(N)cc1 ZINC000841036510 587938014 /nfs/dbraw/zinc/93/80/14/587938014.db2.gz UAVFIHXULQSSHW-ZDUSSCGKSA-N 1 0 246.398 3.370 20 10 BGCDRO Nc1ccc(CC[NH2+]CC2CCCCCC2)cc1 ZINC000841037123 587937674 /nfs/dbraw/zinc/93/76/74/587937674.db2.gz YKWFEPHHFXDQSP-UHFFFAOYSA-N 1 0 246.398 3.371 20 10 BGCDRO CC(C)[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841037984 587937743 /nfs/dbraw/zinc/93/77/43/587937743.db2.gz FAODBUMJBHAWRJ-CVEARBPZSA-N 1 0 246.398 3.226 20 10 BGCDRO CC(C)[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841037985 587938066 /nfs/dbraw/zinc/93/80/66/587938066.db2.gz FAODBUMJBHAWRJ-HOTGVXAUSA-N 1 0 246.398 3.226 20 10 BGCDRO CC(C)[C@H]1CCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841037986 587937787 /nfs/dbraw/zinc/93/77/87/587937787.db2.gz FAODBUMJBHAWRJ-HZPDHXFCSA-N 1 0 246.398 3.226 20 10 BGCDRO CC(C)[C@@H]1CCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841037988 587938168 /nfs/dbraw/zinc/93/81/68/587938168.db2.gz FAODBUMJBHAWRJ-JKSUJKDBSA-N 1 0 246.398 3.226 20 10 BGCDRO CC(C)C[C@@H](C)C[NH2+]CCc1ccc(N)cc1 ZINC000841038040 587938124 /nfs/dbraw/zinc/93/81/24/587938124.db2.gz GHEQEXDACPKKLF-CYBMUJFWSA-N 1 0 234.387 3.083 20 10 BGCDRO CC(C)C[C@H](C)C[NH2+]CCc1ccc(N)cc1 ZINC000841038041 587938181 /nfs/dbraw/zinc/93/81/81/587938181.db2.gz GHEQEXDACPKKLF-ZDUSSCGKSA-N 1 0 234.387 3.083 20 10 BGCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)C1CCCCC1 ZINC000841038494 587937680 /nfs/dbraw/zinc/93/76/80/587937680.db2.gz KRGUNBMESIRACO-CYBMUJFWSA-N 1 0 246.398 3.370 20 10 BGCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)C1CCCCC1 ZINC000841038495 587937684 /nfs/dbraw/zinc/93/76/84/587937684.db2.gz KRGUNBMESIRACO-ZDUSSCGKSA-N 1 0 246.398 3.370 20 10 BGCDRO C[C@H]1CCC[C@@H](C[NH2+]CCc2ccc(N)cc2)C1 ZINC000841038510 587937831 /nfs/dbraw/zinc/93/78/31/587937831.db2.gz LCAYPJXVCHOVIP-DZGCQCFKSA-N 1 0 246.398 3.227 20 10 BGCDRO C[C@@H]1CCC[C@H](C[NH2+]CCc2ccc(N)cc2)C1 ZINC000841038511 584103883 /nfs/dbraw/zinc/10/38/83/584103883.db2.gz LCAYPJXVCHOVIP-HIFRSBDPSA-N 1 0 246.398 3.227 20 10 BGCDRO C[C@@H]1CCC[C@@H](C[NH2+]CCc2ccc(N)cc2)C1 ZINC000841038512 584107942 /nfs/dbraw/zinc/10/79/42/584107942.db2.gz LCAYPJXVCHOVIP-UKRRQHHQSA-N 1 0 246.398 3.227 20 10 BGCDRO C[C@H]1CCC[C@H](C[NH2+]CCc2ccc(N)cc2)C1 ZINC000841038513 584110728 /nfs/dbraw/zinc/11/07/28/584110728.db2.gz LCAYPJXVCHOVIP-ZFWWWQNUSA-N 1 0 246.398 3.227 20 10 BGCDRO Nc1ccc(CC[NH2+]CCC2CCCCC2)cc1 ZINC000841038652 587937979 /nfs/dbraw/zinc/93/79/79/587937979.db2.gz MYSIHCGALJFLMK-UHFFFAOYSA-N 1 0 246.398 3.371 20 10 BGCDRO CSCC[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000841745170 587973461 /nfs/dbraw/zinc/97/34/61/587973461.db2.gz VMZAQYZCDKLBEG-MRVPVSSYSA-N 1 0 245.775 3.059 20 10 BGCDRO CSCC[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000841745171 587973909 /nfs/dbraw/zinc/97/39/09/587973909.db2.gz VMZAQYZCDKLBEG-QMMMGPOBSA-N 1 0 245.775 3.059 20 10 BGCDRO Oc1ccccc1C[NH2+]CC1CCC(F)CC1 ZINC000842775551 588062212 /nfs/dbraw/zinc/06/22/12/588062212.db2.gz QKHVUVGPIREPTF-UHFFFAOYSA-N 1 0 237.318 3.010 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1C ZINC000842776428 588062656 /nfs/dbraw/zinc/06/26/56/588062656.db2.gz KUDCHLWAIFCGTO-KCQAQPDRSA-N 1 0 245.366 3.287 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1C ZINC000842776429 588062778 /nfs/dbraw/zinc/06/27/78/588062778.db2.gz KUDCHLWAIFCGTO-UMVBOHGHSA-N 1 0 245.366 3.287 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)C(C)(C)C)cc1C ZINC000843431082 588109358 /nfs/dbraw/zinc/10/93/58/588109358.db2.gz LNVHNKIEGRCHKG-UHFFFAOYSA-N 1 0 221.344 3.239 20 10 BGCDRO CN(C)c1ccc(C[N@H+](C)C(C)(C)C)cc1F ZINC000843431209 588109073 /nfs/dbraw/zinc/10/90/73/588109073.db2.gz OLYBVRICDJESIX-UHFFFAOYSA-N 1 0 238.350 3.122 20 10 BGCDRO CCOc1ccc(O)c(C[N@H+](C)C(C)(C)C)c1 ZINC000843431223 588109309 /nfs/dbraw/zinc/10/93/09/588109309.db2.gz PCHHZUXNJKLQGN-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO CCOc1ccc(C[N@H+](C)C(C)(C)C)c(O)c1 ZINC000843431724 588109287 /nfs/dbraw/zinc/10/92/87/588109287.db2.gz XRBXZJSJCSDWKF-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)C(C)(C)C ZINC000843432850 588109027 /nfs/dbraw/zinc/10/90/27/588109027.db2.gz KERYOHULOSIORS-UHFFFAOYSA-N 1 0 234.387 3.291 20 10 BGCDRO CN(C)c1ccc(/C=C/C[N@H+](C)C(C)(C)C)cc1 ZINC000843433257 588110000 /nfs/dbraw/zinc/11/00/00/588110000.db2.gz VFIOFOFMUYHEEH-BQYQJAHWSA-N 1 0 246.398 3.496 20 10 BGCDRO CN(C)c1ccc(/C=C\C[N@H+](C)C(C)(C)C)cc1 ZINC000843433258 588109911 /nfs/dbraw/zinc/10/99/11/588109911.db2.gz VFIOFOFMUYHEEH-FPLPWBNLSA-N 1 0 246.398 3.496 20 10 BGCDRO CN(C)c1ccc(C[N@@H+]2CCC23CCCC3)cc1 ZINC000844361284 588187936 /nfs/dbraw/zinc/18/79/36/588187936.db2.gz YANGWIFNSYAACL-UHFFFAOYSA-N 1 0 244.382 3.271 20 10 BGCDRO CCc1cccc(C[NH2+]Cc2ccccc2O)c1 ZINC000845929208 645387984 /nfs/dbraw/zinc/38/79/84/645387984.db2.gz JOMFALOIRHJFMV-UHFFFAOYSA-N 1 0 241.334 3.244 20 10 BGCDRO CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000845930330 645387135 /nfs/dbraw/zinc/38/71/35/645387135.db2.gz SGOMATVQAXRZFQ-CABCVRRESA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000845930332 645388605 /nfs/dbraw/zinc/38/86/05/645388605.db2.gz SGOMATVQAXRZFQ-GJZGRUSLSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000845930333 645387466 /nfs/dbraw/zinc/38/74/66/645387466.db2.gz SGOMATVQAXRZFQ-HUUCEWRRSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000845930334 645387735 /nfs/dbraw/zinc/38/77/35/645387735.db2.gz SGOMATVQAXRZFQ-LSDHHAIUSA-N 1 0 233.355 3.451 20 10 BGCDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845971643 588252224 /nfs/dbraw/zinc/25/22/24/588252224.db2.gz MLPZEUDLHVRWQL-GYSYKLTISA-N 1 0 249.354 3.240 20 10 BGCDRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000845971646 588252325 /nfs/dbraw/zinc/25/23/25/588252325.db2.gz MLPZEUDLHVRWQL-JTNHKYCSSA-N 1 0 249.354 3.240 20 10 BGCDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845971647 588252319 /nfs/dbraw/zinc/25/23/19/588252319.db2.gz MLPZEUDLHVRWQL-MISXGVKJSA-N 1 0 249.354 3.240 20 10 BGCDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000845971649 588252215 /nfs/dbraw/zinc/25/22/15/588252215.db2.gz MLPZEUDLHVRWQL-WDMOLILDSA-N 1 0 249.354 3.240 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCC23CCCC3)c1 ZINC000845998904 588253006 /nfs/dbraw/zinc/25/30/06/588253006.db2.gz FAKQTDBTVUOHPB-UHFFFAOYSA-N 1 0 231.339 3.219 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCC12CCCC2 ZINC000845999318 588253249 /nfs/dbraw/zinc/25/32/49/588253249.db2.gz HJLWTRMEGYEVMJ-UHFFFAOYSA-N 1 0 235.302 3.050 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCC23CCCC3)c1O ZINC000846001155 588253219 /nfs/dbraw/zinc/25/32/19/588253219.db2.gz XKOAWCPQPSCPLO-UHFFFAOYSA-N 1 0 231.339 3.219 20 10 BGCDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1O ZINC000846025035 588254004 /nfs/dbraw/zinc/25/40/04/588254004.db2.gz AIDBUWUPDZACQA-QWHCGFSZSA-N 1 0 233.355 3.307 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2(C3CCC3)CC2)cc1C ZINC000846055824 645396917 /nfs/dbraw/zinc/39/69/17/645396917.db2.gz PGQNLYRQKQVPNC-UHFFFAOYSA-N 1 0 245.366 3.431 20 10 BGCDRO CC[C@@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000846056271 645396047 /nfs/dbraw/zinc/39/60/47/645396047.db2.gz SGKDVBILMYULTG-BXKDBHETSA-N 1 0 239.746 3.324 20 10 BGCDRO CC[C@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000846056272 645396697 /nfs/dbraw/zinc/39/66/97/645396697.db2.gz SGKDVBILMYULTG-CABZTGNLSA-N 1 0 239.746 3.324 20 10 BGCDRO CC[C@H]1CC[C@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000846056273 645398401 /nfs/dbraw/zinc/39/84/01/645398401.db2.gz SGKDVBILMYULTG-JOYOIKCWSA-N 1 0 239.746 3.324 20 10 BGCDRO CC[C@@H]1CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000846056274 645397826 /nfs/dbraw/zinc/39/78/26/645397826.db2.gz SGKDVBILMYULTG-SKDRFNHKSA-N 1 0 239.746 3.324 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2CC3(CCC3)C2)cc1C ZINC000846107697 588257143 /nfs/dbraw/zinc/25/71/43/588257143.db2.gz YLOBKGSSXSGGPG-UHFFFAOYSA-N 1 0 245.366 3.431 20 10 BGCDRO CCCCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846137384 588258611 /nfs/dbraw/zinc/25/86/11/588258611.db2.gz OWAHFOCNFYQUNV-LLVKDONJSA-N 1 0 237.343 3.242 20 10 BGCDRO CCCCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846137385 588258372 /nfs/dbraw/zinc/25/83/72/588258372.db2.gz OWAHFOCNFYQUNV-NSHDSACASA-N 1 0 237.343 3.242 20 10 BGCDRO CCC(CC)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846137395 588258458 /nfs/dbraw/zinc/25/84/58/588258458.db2.gz PACBNQHDKAREJS-JTQLQIEISA-N 1 0 237.343 3.240 20 10 BGCDRO CCC(CC)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846137397 588258357 /nfs/dbraw/zinc/25/83/57/588258357.db2.gz PACBNQHDKAREJS-SNVBAGLBSA-N 1 0 237.343 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]C2CCCCC2)c1O ZINC000846138243 588258431 /nfs/dbraw/zinc/25/84/31/588258431.db2.gz VFZWSDAWFPJZJY-LLVKDONJSA-N 1 0 249.354 3.384 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]C2CCCCC2)c1O ZINC000846138246 588258533 /nfs/dbraw/zinc/25/85/33/588258533.db2.gz VFZWSDAWFPJZJY-NSHDSACASA-N 1 0 249.354 3.384 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CCC(C)C)c1O ZINC000846139028 588258489 /nfs/dbraw/zinc/25/84/89/588258489.db2.gz ZVRNJMUAQUVXDS-LLVKDONJSA-N 1 0 237.343 3.098 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CCC(C)C)c1O ZINC000846139030 588258601 /nfs/dbraw/zinc/25/86/01/588258601.db2.gz ZVRNJMUAQUVXDS-NSHDSACASA-N 1 0 237.343 3.098 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846139261 588258441 /nfs/dbraw/zinc/25/84/41/588258441.db2.gz YOQIUWAVPPRIFW-GHMZBOCLSA-N 1 0 237.343 3.240 20 10 BGCDRO CCC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846139262 588258302 /nfs/dbraw/zinc/25/83/02/588258302.db2.gz YOQIUWAVPPRIFW-MNOVXSKESA-N 1 0 237.343 3.240 20 10 BGCDRO CCC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846139263 588258384 /nfs/dbraw/zinc/25/83/84/588258384.db2.gz YOQIUWAVPPRIFW-QWRGUYRKSA-N 1 0 237.343 3.240 20 10 BGCDRO CCC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846139264 588258599 /nfs/dbraw/zinc/25/85/99/588258599.db2.gz YOQIUWAVPPRIFW-WDEREUQCSA-N 1 0 237.343 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)C2CC2)c1O ZINC000846141197 588258466 /nfs/dbraw/zinc/25/84/66/588258466.db2.gz FYSBLXUFKMKXBY-GHMZBOCLSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)C2CC2)c1O ZINC000846141199 588258556 /nfs/dbraw/zinc/25/85/56/588258556.db2.gz FYSBLXUFKMKXBY-MNOVXSKESA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)C2CC2)c1O ZINC000846141200 588258375 /nfs/dbraw/zinc/25/83/75/588258375.db2.gz FYSBLXUFKMKXBY-QWRGUYRKSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)C2CC2)c1O ZINC000846141201 588258379 /nfs/dbraw/zinc/25/83/79/588258379.db2.gz FYSBLXUFKMKXBY-WDEREUQCSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)C)c1O ZINC000846141823 588258409 /nfs/dbraw/zinc/25/84/09/588258409.db2.gz ABBQLBGPVMBOJU-JTQLQIEISA-N 1 0 237.343 3.098 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)C)c1O ZINC000846141824 588258487 /nfs/dbraw/zinc/25/84/87/588258487.db2.gz ABBQLBGPVMBOJU-SNVBAGLBSA-N 1 0 237.343 3.098 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CC2CCCC2)c1O ZINC000846147636 588258759 /nfs/dbraw/zinc/25/87/59/588258759.db2.gz WRHRIYJNGGEJHC-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CC2CCCC2)c1O ZINC000846147639 588258846 /nfs/dbraw/zinc/25/88/46/588258846.db2.gz WRHRIYJNGGEJHC-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c1O ZINC000846150109 588258827 /nfs/dbraw/zinc/25/88/27/588258827.db2.gz YCPWIJNTGLGDSF-GMXVVIOVSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C)c1O ZINC000846150122 588258668 /nfs/dbraw/zinc/25/86/68/588258668.db2.gz YCPWIJNTGLGDSF-GVXVVHGQSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCC[C@H]2C)c1O ZINC000846150124 588258656 /nfs/dbraw/zinc/25/86/56/588258656.db2.gz YCPWIJNTGLGDSF-MDZLAQPJSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2C)c1O ZINC000846150125 588258693 /nfs/dbraw/zinc/25/86/93/588258693.db2.gz YCPWIJNTGLGDSF-NTZNESFSSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2CC2(C)C)c1O ZINC000846150186 588258774 /nfs/dbraw/zinc/25/87/74/588258774.db2.gz BFAJVXABMJYAJQ-GHMZBOCLSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)c1O ZINC000846150187 588258695 /nfs/dbraw/zinc/25/86/95/588258695.db2.gz BFAJVXABMJYAJQ-MNOVXSKESA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2CC2(C)C)c1O ZINC000846150188 588258752 /nfs/dbraw/zinc/25/87/52/588258752.db2.gz BFAJVXABMJYAJQ-QWRGUYRKSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2CC2(C)C)c1O ZINC000846150190 588258821 /nfs/dbraw/zinc/25/88/21/588258821.db2.gz BFAJVXABMJYAJQ-WDEREUQCSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CC=CCC2)c1O ZINC000846153314 588258833 /nfs/dbraw/zinc/25/88/33/588258833.db2.gz GBBAVZOAYXMHCN-NEPJUHHUSA-N 1 0 247.338 3.160 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC=CCC2)c1O ZINC000846153315 588258848 /nfs/dbraw/zinc/25/88/48/588258848.db2.gz GBBAVZOAYXMHCN-NWDGAFQWSA-N 1 0 247.338 3.160 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC=CCC2)c1O ZINC000846153316 588258672 /nfs/dbraw/zinc/25/86/72/588258672.db2.gz GBBAVZOAYXMHCN-RYUDHWBXSA-N 1 0 247.338 3.160 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC=CCC2)c1O ZINC000846153317 588258755 /nfs/dbraw/zinc/25/87/55/588258755.db2.gz GBBAVZOAYXMHCN-VXGBXAGGSA-N 1 0 247.338 3.160 20 10 BGCDRO CCC1(C[NH2+][C@H](C)c2cccc(OC)c2O)CC1 ZINC000846153621 588258862 /nfs/dbraw/zinc/25/88/62/588258862.db2.gz IFAGTNSNVXIDNR-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO CCC1(C[NH2+][C@@H](C)c2cccc(OC)c2O)CC1 ZINC000846153623 588258666 /nfs/dbraw/zinc/25/86/66/588258666.db2.gz IFAGTNSNVXIDNR-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CC2(C)CCC2)c1O ZINC000846153904 588258622 /nfs/dbraw/zinc/25/86/22/588258622.db2.gz JTTXYLGHCDVFRU-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CC2(C)CCC2)c1O ZINC000846153906 588258676 /nfs/dbraw/zinc/25/86/76/588258676.db2.gz JTTXYLGHCDVFRU-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CCCC2CC2)c1O ZINC000846155323 588258724 /nfs/dbraw/zinc/25/87/24/588258724.db2.gz POBHWAZZLHETNG-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CCCC2CC2)c1O ZINC000846155326 588258871 /nfs/dbraw/zinc/25/88/71/588258871.db2.gz POBHWAZZLHETNG-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CCC2CCC2)c1O ZINC000846155431 588258882 /nfs/dbraw/zinc/25/88/82/588258882.db2.gz XCRWADFEZSCUFO-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CCC2CCC2)c1O ZINC000846155435 588258717 /nfs/dbraw/zinc/25/87/17/588258717.db2.gz XCRWADFEZSCUFO-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C2CCC2)c1O ZINC000846157056 588258734 /nfs/dbraw/zinc/25/87/34/588258734.db2.gz IYERQBGHVDZXJH-GHMZBOCLSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C2CCC2)c1O ZINC000846157057 588258682 /nfs/dbraw/zinc/25/86/82/588258682.db2.gz IYERQBGHVDZXJH-MNOVXSKESA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C2CCC2)c1O ZINC000846157058 588258854 /nfs/dbraw/zinc/25/88/54/588258854.db2.gz IYERQBGHVDZXJH-QWRGUYRKSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)c1O ZINC000846157059 588258784 /nfs/dbraw/zinc/25/87/84/588258784.db2.gz IYERQBGHVDZXJH-WDEREUQCSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)C2(C)CC2)c1O ZINC000846161559 588259071 /nfs/dbraw/zinc/25/90/71/588259071.db2.gz GHNGIEIIXUVXLW-GHMZBOCLSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)C2(C)CC2)c1O ZINC000846161738 588258898 /nfs/dbraw/zinc/25/88/98/588258898.db2.gz GHNGIEIIXUVXLW-MNOVXSKESA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)C2(C)CC2)c1O ZINC000846161740 588259140 /nfs/dbraw/zinc/25/91/40/588259140.db2.gz GHNGIEIIXUVXLW-QWRGUYRKSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@H](C)C2(C)CC2)c1O ZINC000846161742 588258978 /nfs/dbraw/zinc/25/89/78/588258978.db2.gz GHNGIEIIXUVXLW-WDEREUQCSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CC=C(C)C)c1O ZINC000846164011 588258924 /nfs/dbraw/zinc/25/89/24/588258924.db2.gz DBKUGJGCYYYPHR-LLVKDONJSA-N 1 0 235.327 3.018 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CC=C(C)C)c1O ZINC000846164012 588258907 /nfs/dbraw/zinc/25/89/07/588258907.db2.gz DBKUGJGCYYYPHR-NSHDSACASA-N 1 0 235.327 3.018 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c1O ZINC000846165898 588258943 /nfs/dbraw/zinc/25/89/43/588258943.db2.gz PGRVVPQIQMXBSA-GRYCIOLGSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c1O ZINC000846165899 588258918 /nfs/dbraw/zinc/25/89/18/588258918.db2.gz PGRVVPQIQMXBSA-SDDRHHMPSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c1O ZINC000846165900 588258931 /nfs/dbraw/zinc/25/89/31/588258931.db2.gz PGRVVPQIQMXBSA-SRVKXCTJSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c1O ZINC000846165901 588259093 /nfs/dbraw/zinc/25/90/93/588259093.db2.gz PGRVVPQIQMXBSA-WOPDTQHZSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CCC=C(C)C)c1O ZINC000846166969 588258967 /nfs/dbraw/zinc/25/89/67/588258967.db2.gz QDAIPTUQLJFHPO-GFCCVEGCSA-N 1 0 249.354 3.408 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CCC=C(C)C)c1O ZINC000846166971 588258892 /nfs/dbraw/zinc/25/88/92/588258892.db2.gz QDAIPTUQLJFHPO-LBPRGKRZSA-N 1 0 249.354 3.408 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CCC2(C)CC2)c1O ZINC000846167150 588258948 /nfs/dbraw/zinc/25/89/48/588258948.db2.gz HCSZWHJLKQCCDF-LLVKDONJSA-N 1 0 249.354 3.242 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CCC2(C)CC2)c1O ZINC000846167151 588259110 /nfs/dbraw/zinc/25/91/10/588259110.db2.gz HCSZWHJLKQCCDF-NSHDSACASA-N 1 0 249.354 3.242 20 10 BGCDRO CC/C=C\C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168806 588258916 /nfs/dbraw/zinc/25/89/16/588258916.db2.gz LWKPHFIUZFWGOA-GZTOBOFZSA-N 1 0 235.327 3.018 20 10 BGCDRO CC/C=C\C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168807 588259020 /nfs/dbraw/zinc/25/90/20/588259020.db2.gz LWKPHFIUZFWGOA-ISALQUGTSA-N 1 0 235.327 3.018 20 10 BGCDRO CC/C=C/C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846168808 588259074 /nfs/dbraw/zinc/25/90/74/588259074.db2.gz LWKPHFIUZFWGOA-MVIFTORASA-N 1 0 235.327 3.018 20 10 BGCDRO CC/C=C/C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846168809 588258940 /nfs/dbraw/zinc/25/89/40/588258940.db2.gz LWKPHFIUZFWGOA-QRGHLMKCSA-N 1 0 235.327 3.018 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846169149 588259011 /nfs/dbraw/zinc/25/90/11/588259011.db2.gz PGMAIHMXOCBBJA-TUAOUCFPSA-N 1 0 249.354 3.098 20 10 BGCDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846169150 588258987 /nfs/dbraw/zinc/25/89/87/588258987.db2.gz PGMAIHMXOCBBJA-UTUOFQBUSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]C2(C(C)C)CC2)c1O ZINC000846169410 588259120 /nfs/dbraw/zinc/25/91/20/588259120.db2.gz HOSXONOXZDQQGE-LLVKDONJSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]C2(C(C)C)CC2)c1O ZINC000846169412 588258929 /nfs/dbraw/zinc/25/89/29/588258929.db2.gz HOSXONOXZDQQGE-NSHDSACASA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCC2(C)C)c1O ZINC000846170549 588259034 /nfs/dbraw/zinc/25/90/34/588259034.db2.gz LWQHYDQVZJDDHE-GWCFXTLKSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCC2(C)C)c1O ZINC000846170552 588259001 /nfs/dbraw/zinc/25/90/01/588259001.db2.gz LWQHYDQVZJDDHE-GXFFZTMASA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)c1O ZINC000846170555 588259025 /nfs/dbraw/zinc/25/90/25/588259025.db2.gz LWQHYDQVZJDDHE-MFKMUULPSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c1O ZINC000846170558 588258982 /nfs/dbraw/zinc/25/89/82/588258982.db2.gz LWQHYDQVZJDDHE-ZWNOBZJWSA-N 1 0 249.354 3.240 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]C1(C3CCC3)CC1)CC2 ZINC000846206897 588260038 /nfs/dbraw/zinc/26/00/38/588260038.db2.gz IYWQWPXRZJGHIF-CYBMUJFWSA-N 1 0 243.350 3.302 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]C1(C3CCC3)CC1)CC2 ZINC000846206898 588259960 /nfs/dbraw/zinc/25/99/60/588259960.db2.gz IYWQWPXRZJGHIF-ZDUSSCGKSA-N 1 0 243.350 3.302 20 10 BGCDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccccc1O ZINC000846207156 588260152 /nfs/dbraw/zinc/26/01/52/588260152.db2.gz KTDDQHLJEITGPS-LLVKDONJSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1ccccc1O ZINC000846207158 588260012 /nfs/dbraw/zinc/26/00/12/588260012.db2.gz KTDDQHLJEITGPS-NSHDSACASA-N 1 0 231.339 3.376 20 10 BGCDRO CN(C)c1ccc(C[NH2+]C2(C)CC=CC2)cc1F ZINC000848560414 588397694 /nfs/dbraw/zinc/39/76/94/588397694.db2.gz DMXYBONHTXOZOB-UHFFFAOYSA-N 1 0 248.345 3.090 20 10 BGCDRO CCc1cccc(C[N@H+](C)Cc2ccco2)c1O ZINC000848880564 588416406 /nfs/dbraw/zinc/41/64/06/588416406.db2.gz QFGDQMJYMHTLKK-UHFFFAOYSA-N 1 0 245.322 3.180 20 10 BGCDRO CCc1cccc(C[N@H+](C)Cc2ccoc2)c1O ZINC000848883371 588416977 /nfs/dbraw/zinc/41/69/77/588416977.db2.gz MNAGXAYZQGWKBT-UHFFFAOYSA-N 1 0 245.322 3.180 20 10 BGCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2C2CC2)c1O ZINC000848884708 588417278 /nfs/dbraw/zinc/41/72/78/588417278.db2.gz FIIOLBVQJISFIL-HNNXBMFYSA-N 1 0 245.366 3.329 20 10 BGCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2C2CC2)c1O ZINC000848884715 588417265 /nfs/dbraw/zinc/41/72/65/588417265.db2.gz FIIOLBVQJISFIL-OAHLLOKOSA-N 1 0 245.366 3.329 20 10 BGCDRO CCc1cccc(C[N@H+](CC)CC2CC2)c1O ZINC000848886376 588416618 /nfs/dbraw/zinc/41/66/18/588416618.db2.gz FAGKFSGJAOZTKH-UHFFFAOYSA-N 1 0 233.355 3.187 20 10 BGCDRO CCc1cccc(C[N@@H+](CC)C2CCC2)c1O ZINC000848887780 588417464 /nfs/dbraw/zinc/41/74/64/588417464.db2.gz FFSNDAAUJLARTA-UHFFFAOYSA-N 1 0 233.355 3.329 20 10 BGCDRO CCc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1O ZINC000848888578 588417806 /nfs/dbraw/zinc/41/78/06/588417806.db2.gz XBUJKORZSLOYAO-OKILXGFUSA-N 1 0 245.366 3.042 20 10 BGCDRO CCc1cccc(C[N@@H+]2CC[C@H](C3CC3)C2)c1O ZINC000848889905 588417763 /nfs/dbraw/zinc/41/77/63/588417763.db2.gz OXWNDZRTNGNZIN-AWEZNQCLSA-N 1 0 245.366 3.187 20 10 BGCDRO CCc1cccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c1O ZINC000848889906 588417500 /nfs/dbraw/zinc/41/75/00/588417500.db2.gz OXWNDZRTNGNZIN-CQSZACIVSA-N 1 0 245.366 3.187 20 10 BGCDRO CCc1cccc(C[N@@H+]2CC[C@H]2C(C)C)c1O ZINC000848890694 588417996 /nfs/dbraw/zinc/41/79/96/588417996.db2.gz KBSURJWYOJOXGI-AWEZNQCLSA-N 1 0 233.355 3.185 20 10 BGCDRO CCc1cccc(C[N@@H+]2CC[C@@H]2C(C)C)c1O ZINC000848890697 588418003 /nfs/dbraw/zinc/41/80/03/588418003.db2.gz KBSURJWYOJOXGI-CQSZACIVSA-N 1 0 233.355 3.185 20 10 BGCDRO CCc1cccc(C[N@H+](C)CCC2CC2)c1O ZINC000848890845 588418124 /nfs/dbraw/zinc/41/81/24/588418124.db2.gz UOKQDTRCRPXOSV-UHFFFAOYSA-N 1 0 233.355 3.187 20 10 BGCDRO CCc1cccc(C[NH2+]Cc2ccoc2C)c1O ZINC000848894211 588417578 /nfs/dbraw/zinc/41/75/78/588417578.db2.gz KVOKSEZWUFCSEQ-UHFFFAOYSA-N 1 0 245.322 3.146 20 10 BGCDRO CCc1cccc(C[NH2+][C@H](C)c2ccc[nH]2)c1O ZINC000848900501 588418639 /nfs/dbraw/zinc/41/86/39/588418639.db2.gz MRFCKWJVUXCZFB-LLVKDONJSA-N 1 0 244.338 3.134 20 10 BGCDRO CCc1cccc(C[NH2+][C@@H](C)c2ccc[nH]2)c1O ZINC000848900502 588418325 /nfs/dbraw/zinc/41/83/25/588418325.db2.gz MRFCKWJVUXCZFB-NSHDSACASA-N 1 0 244.338 3.134 20 10 BGCDRO CCc1cccc(CN2CCC=C(F)C2)c1O ZINC000848901284 588418625 /nfs/dbraw/zinc/41/86/25/588418625.db2.gz REEQPKRBYJDATR-UHFFFAOYSA-N 1 0 235.302 3.014 20 10 BGCDRO CCc1cccc(C[N@@H+]2CCCC3(CC3)C2)c1O ZINC000848903750 588418315 /nfs/dbraw/zinc/41/83/15/588418315.db2.gz ZIXXOLAPFWIUKF-UHFFFAOYSA-N 1 0 245.366 3.331 20 10 BGCDRO CCc1cccc(C[NH+]2CC(C(C)C)C2)c1O ZINC000848908334 588419650 /nfs/dbraw/zinc/41/96/50/588419650.db2.gz QYWYUYGSHNHLOI-UHFFFAOYSA-N 1 0 233.355 3.042 20 10 BGCDRO CCc1cccc(C[N@@H+]2CCC=C(C)C2)c1O ZINC000848908366 588419166 /nfs/dbraw/zinc/41/91/66/588419166.db2.gz RXKNRVFGEKLXQY-UHFFFAOYSA-N 1 0 231.339 3.107 20 10 BGCDRO CCc1cccc(C[NH+]2CC3(C2)CCCC3)c1O ZINC000848911844 588419676 /nfs/dbraw/zinc/41/96/76/588419676.db2.gz JJCFTSRXYKUZTA-UHFFFAOYSA-N 1 0 245.366 3.331 20 10 BGCDRO CCc1cccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1O ZINC000848915760 588419927 /nfs/dbraw/zinc/41/99/27/588419927.db2.gz ACGAUSHLWYIGJP-SNPRPXQTSA-N 1 0 245.366 3.233 20 10 BGCDRO CCc1cccc(C[NH+]2CC(C)(CC)C2)c1O ZINC000848916537 588420328 /nfs/dbraw/zinc/42/03/28/588420328.db2.gz IDWQQGRHRVKFQB-UHFFFAOYSA-N 1 0 233.355 3.187 20 10 BGCDRO CCc1cccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)c1O ZINC000848917646 588420597 /nfs/dbraw/zinc/42/05/97/588420597.db2.gz IWGBGBHJPWKUIT-LSDHHAIUSA-N 1 0 245.366 3.233 20 10 BGCDRO CCc1cccc(C[N@@H+]2CCC23CCCC3)c1O ZINC000848920257 588420900 /nfs/dbraw/zinc/42/09/00/588420900.db2.gz ZSNJCIZKDCNKLE-UHFFFAOYSA-N 1 0 245.366 3.473 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C)CC=CC1 ZINC000848922855 588420610 /nfs/dbraw/zinc/42/06/10/588420610.db2.gz ZWGBQRODFYNGKT-UHFFFAOYSA-N 1 0 244.382 3.259 20 10 BGCDRO CCC[N@H+](Cc1c(O)cccc1OC)C(C)C ZINC000848923469 588421272 /nfs/dbraw/zinc/42/12/72/588421272.db2.gz LAJYQIDNCUCHQT-UHFFFAOYSA-N 1 0 237.343 3.021 20 10 BGCDRO CCc1ccc(C)[nH+]c1NCc1ccccc1O ZINC000850354799 588538508 /nfs/dbraw/zinc/53/85/08/588538508.db2.gz AEFXZAJBMKMUED-UHFFFAOYSA-N 1 0 242.322 3.270 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2C=CCC2)cc1 ZINC000850359207 588539682 /nfs/dbraw/zinc/53/96/82/588539682.db2.gz AAKCTDDKNCOPDM-IYKSTZQJSA-N 1 0 242.366 3.074 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2C=CCC2)cc1 ZINC000850359208 588540138 /nfs/dbraw/zinc/54/01/38/588540138.db2.gz AAKCTDDKNCOPDM-LLYBFZRZSA-N 1 0 242.366 3.074 20 10 BGCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C=CCC2)cc1 ZINC000850359209 588539851 /nfs/dbraw/zinc/53/98/51/588539851.db2.gz AAKCTDDKNCOPDM-NFAHFFEMSA-N 1 0 242.366 3.074 20 10 BGCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2C=CCC2)cc1 ZINC000850359210 588540161 /nfs/dbraw/zinc/54/01/61/588540161.db2.gz AAKCTDDKNCOPDM-YVACAVLKSA-N 1 0 242.366 3.074 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@H]2C=CCC2)c(Cl)c1 ZINC000850359438 588539837 /nfs/dbraw/zinc/53/98/37/588539837.db2.gz HYKBBQOSBXFCBZ-JTQLQIEISA-N 1 0 237.730 3.162 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@H]2C=CCC2)c(Cl)c1 ZINC000850359439 588539966 /nfs/dbraw/zinc/53/99/66/588539966.db2.gz HYKBBQOSBXFCBZ-SNVBAGLBSA-N 1 0 237.730 3.162 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CCC(C)(C)F)cc1C ZINC000850374020 588541489 /nfs/dbraw/zinc/54/14/89/588541489.db2.gz GRNVGPRRVOLNLC-UHFFFAOYSA-N 1 0 239.334 3.237 20 10 BGCDRO COc1cccc(O)c1C[NH2+]CCCC1CCC1 ZINC000850379538 588541966 /nfs/dbraw/zinc/54/19/66/588541966.db2.gz SQWUSIZPTJNPRK-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO CCOc1ccc(C[NH2+][C@@H](CC)C2CC2)c(O)c1 ZINC000850381524 588542545 /nfs/dbraw/zinc/54/25/45/588542545.db2.gz FDNUTFDHMWJSHK-AWEZNQCLSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(C[NH2+][C@H](CC)C2CC2)c(O)c1 ZINC000850381525 588542548 /nfs/dbraw/zinc/54/25/48/588542548.db2.gz FDNUTFDHMWJSHK-CQSZACIVSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)C2CC2)c1 ZINC000850382534 588542870 /nfs/dbraw/zinc/54/28/70/588542870.db2.gz WPOMGFYUUDEUHL-AWEZNQCLSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@H](CC)C2CC2)c1 ZINC000850382535 588542650 /nfs/dbraw/zinc/54/26/50/588542650.db2.gz WPOMGFYUUDEUHL-CQSZACIVSA-N 1 0 249.354 3.069 20 10 BGCDRO CC[C@H]([NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC000850382544 588542831 /nfs/dbraw/zinc/54/28/31/588542831.db2.gz WVVOWISNXWFZGL-AWEZNQCLSA-N 1 0 233.355 3.287 20 10 BGCDRO CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1O)C1CC1 ZINC000850382545 588542716 /nfs/dbraw/zinc/54/27/16/588542716.db2.gz WVVOWISNXWFZGL-CQSZACIVSA-N 1 0 233.355 3.287 20 10 BGCDRO CN(C)c1ccc(C[NH2+]CC2=CCCC2)cc1F ZINC000850395387 588543677 /nfs/dbraw/zinc/54/36/77/588543677.db2.gz GVCJZKGRVLPRLZ-UHFFFAOYSA-N 1 0 248.345 3.092 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC2=CCCC2)cc1C ZINC000850395500 588543865 /nfs/dbraw/zinc/54/38/65/588543865.db2.gz HYVDXGBYZGOMKM-UHFFFAOYSA-N 1 0 231.339 3.209 20 10 BGCDRO CCOc1ccc(C[NH2+][C@@]2(C)CC2(C)C)c(O)c1 ZINC000850398964 588544198 /nfs/dbraw/zinc/54/41/98/588544198.db2.gz FMZXYDXOULTINW-HNNXBMFYSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(C[NH2+][C@]2(C)CC2(C)C)c(O)c1 ZINC000850398965 588544123 /nfs/dbraw/zinc/54/41/23/588544123.db2.gz FMZXYDXOULTINW-OAHLLOKOSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@@]2(C)CC2(C)C)c1 ZINC000850399835 588544517 /nfs/dbraw/zinc/54/45/17/588544517.db2.gz SAPFGEKUMRZQEG-HNNXBMFYSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+][C@]2(C)CC2(C)C)c1 ZINC000850399836 588544522 /nfs/dbraw/zinc/54/45/22/588544522.db2.gz SAPFGEKUMRZQEG-OAHLLOKOSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@@]2(C)CC2(C)C)cc1C ZINC000850400109 588544452 /nfs/dbraw/zinc/54/44/52/588544452.db2.gz ZIBSNKBFIYVOKW-HNNXBMFYSA-N 1 0 233.355 3.287 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@]2(C)CC2(C)C)cc1C ZINC000850400110 588544149 /nfs/dbraw/zinc/54/41/49/588544149.db2.gz ZIBSNKBFIYVOKW-OAHLLOKOSA-N 1 0 233.355 3.287 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]CCCc2ccco2)c1 ZINC000850408042 588544411 /nfs/dbraw/zinc/54/44/11/588544411.db2.gz WEBMKZCNGZTPAD-UHFFFAOYSA-N 1 0 245.322 3.016 20 10 BGCDRO CCOc1ccc(O)c(C[NH2+]C2CC(C)(C)C2)c1 ZINC000850415242 588545193 /nfs/dbraw/zinc/54/51/93/588545193.db2.gz BZXAUBVKBGSHHH-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO CCOc1ccc(C[NH2+]C2CC(C)(C)C2)c(O)c1 ZINC000850415588 588545197 /nfs/dbraw/zinc/54/51/97/588545197.db2.gz KUIMMOUXPMYVFN-UHFFFAOYSA-N 1 0 249.354 3.069 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C2CC(C)(C)C2)cc1C ZINC000850415901 588544835 /nfs/dbraw/zinc/54/48/35/588544835.db2.gz XYUOSBWTVAMGCL-UHFFFAOYSA-N 1 0 233.355 3.287 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(Cl)cc1O ZINC000850506183 588552729 /nfs/dbraw/zinc/55/27/29/588552729.db2.gz CFYATKDTLPAJLG-GXSJLCMTSA-N 1 0 237.730 3.415 20 10 BGCDRO C[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(Cl)cc1O ZINC000850506184 588552840 /nfs/dbraw/zinc/55/28/40/588552840.db2.gz CFYATKDTLPAJLG-KOLCDFICSA-N 1 0 237.730 3.415 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(Cl)cc1O ZINC000850506185 588552843 /nfs/dbraw/zinc/55/28/43/588552843.db2.gz CFYATKDTLPAJLG-MWLCHTKSSA-N 1 0 237.730 3.415 20 10 BGCDRO C[C@H]([NH2+][C@H]1C=CCC1)c1ccc(Cl)cc1O ZINC000850506186 588552973 /nfs/dbraw/zinc/55/29/73/588552973.db2.gz CFYATKDTLPAJLG-ONGXEEELSA-N 1 0 237.730 3.415 20 10 BGCDRO CC[C@@H]([NH2+][C@H]1C=CCC1)c1ccc(C)cc1O ZINC000850506433 588553384 /nfs/dbraw/zinc/55/33/84/588553384.db2.gz AVVJLVWBOMTALL-GXTWGEPZSA-N 1 0 231.339 3.460 20 10 BGCDRO CC[C@H]([NH2+][C@H]1C=CCC1)c1ccc(C)cc1O ZINC000850506434 588553521 /nfs/dbraw/zinc/55/35/21/588553521.db2.gz AVVJLVWBOMTALL-JSGCOSHPSA-N 1 0 231.339 3.460 20 10 BGCDRO CC[C@H]([NH2+][C@@H]1C=CCC1)c1ccc(C)cc1O ZINC000850506435 588553547 /nfs/dbraw/zinc/55/35/47/588553547.db2.gz AVVJLVWBOMTALL-OCCSQVGLSA-N 1 0 231.339 3.460 20 10 BGCDRO CC[C@@H]([NH2+][C@@H]1C=CCC1)c1ccc(C)cc1O ZINC000850506436 588553350 /nfs/dbraw/zinc/55/33/50/588553350.db2.gz AVVJLVWBOMTALL-TZMCWYRMSA-N 1 0 231.339 3.460 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2C=CCC2)c2c1c(F)ccc2O ZINC000850507178 588553440 /nfs/dbraw/zinc/55/34/40/588553440.db2.gz DMFZVFXCOZHJIV-CKYFFXLPSA-N 1 0 247.313 3.388 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+][C@@H]2C=CCC2)c2c1c(F)ccc2O ZINC000850507180 588553575 /nfs/dbraw/zinc/55/35/75/588553575.db2.gz DMFZVFXCOZHJIV-FOGDFJRCSA-N 1 0 247.313 3.388 20 10 BGCDRO C[C@@H]1C[C@@H]([NH2+][C@H]2C=CCC2)c2c1c(F)ccc2O ZINC000850507182 588553477 /nfs/dbraw/zinc/55/34/77/588553477.db2.gz DMFZVFXCOZHJIV-JFGNBEQYSA-N 1 0 247.313 3.388 20 10 BGCDRO C[C@@H]1C[C@H]([NH2+][C@H]2C=CCC2)c2c1c(F)ccc2O ZINC000850507183 588553310 /nfs/dbraw/zinc/55/33/10/588553310.db2.gz DMFZVFXCOZHJIV-SCVCMEIPSA-N 1 0 247.313 3.388 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C=CCC2)c(O)c1C ZINC000850510641 588555457 /nfs/dbraw/zinc/55/54/57/588555457.db2.gz VNWXCVZNHHOJBC-CHWSQXEVSA-N 1 0 231.339 3.378 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C=CCC2)c(O)c1C ZINC000850510643 588555450 /nfs/dbraw/zinc/55/54/50/588555450.db2.gz VNWXCVZNHHOJBC-OLZOCXBDSA-N 1 0 231.339 3.378 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C=CCC2)c(O)c1C ZINC000850510645 588555383 /nfs/dbraw/zinc/55/53/83/588555383.db2.gz VNWXCVZNHHOJBC-QWHCGFSZSA-N 1 0 231.339 3.378 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C=CCC2)c(O)c1C ZINC000850510646 588555364 /nfs/dbraw/zinc/55/53/64/588555364.db2.gz VNWXCVZNHHOJBC-STQMWFEESA-N 1 0 231.339 3.378 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2C=CCC2)c(O)c1 ZINC000850510838 588555262 /nfs/dbraw/zinc/55/52/62/588555262.db2.gz WQQVIHXIRCUQAL-CHWSQXEVSA-N 1 0 231.339 3.378 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C=CCC2)c(O)c1 ZINC000850510839 588555389 /nfs/dbraw/zinc/55/53/89/588555389.db2.gz WQQVIHXIRCUQAL-OLZOCXBDSA-N 1 0 231.339 3.378 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2C=CCC2)c(O)c1 ZINC000850510840 588555302 /nfs/dbraw/zinc/55/53/02/588555302.db2.gz WQQVIHXIRCUQAL-QWHCGFSZSA-N 1 0 231.339 3.378 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2C=CCC2)c(O)c1 ZINC000850510841 588555369 /nfs/dbraw/zinc/55/53/69/588555369.db2.gz WQQVIHXIRCUQAL-STQMWFEESA-N 1 0 231.339 3.378 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C=CCC1)c1cc(Cl)ccc1O ZINC000850511014 588555339 /nfs/dbraw/zinc/55/53/39/588555339.db2.gz YQEKBQBZYRAGRF-GXSJLCMTSA-N 1 0 237.730 3.415 20 10 BGCDRO C[C@@H]([NH2+][C@H]1C=CCC1)c1cc(Cl)ccc1O ZINC000850511015 588555241 /nfs/dbraw/zinc/55/52/41/588555241.db2.gz YQEKBQBZYRAGRF-KOLCDFICSA-N 1 0 237.730 3.415 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1C=CCC1)c1cc(Cl)ccc1O ZINC000850511017 588555596 /nfs/dbraw/zinc/55/55/96/588555596.db2.gz YQEKBQBZYRAGRF-MWLCHTKSSA-N 1 0 237.730 3.415 20 10 BGCDRO C[C@H]([NH2+][C@H]1C=CCC1)c1cc(Cl)ccc1O ZINC000850511019 588555238 /nfs/dbraw/zinc/55/52/38/588555238.db2.gz YQEKBQBZYRAGRF-ONGXEEELSA-N 1 0 237.730 3.415 20 10 BGCDRO CCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2ccccc2O)C1 ZINC000850513996 588556213 /nfs/dbraw/zinc/55/62/13/588556213.db2.gz KJJPOSRTTSATHV-OBJOEFQTSA-N 1 0 249.354 3.000 20 10 BGCDRO CCO[C@H]1C[C@H]([NH2+][C@H](CC)c2ccccc2O)C1 ZINC000850513999 588555755 /nfs/dbraw/zinc/55/57/55/588555755.db2.gz KJJPOSRTTSATHV-YRGRVCCFSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C1CC1 ZINC000850540835 588558899 /nfs/dbraw/zinc/55/88/99/588558899.db2.gz RRBXDFRTJISYDQ-GWCFXTLKSA-N 1 0 249.354 3.240 20 10 BGCDRO CC[C@@H]([NH2+][C@@H](C)c1cccc(OC)c1O)C1CC1 ZINC000850540836 588558956 /nfs/dbraw/zinc/55/89/56/588558956.db2.gz RRBXDFRTJISYDQ-GXFFZTMASA-N 1 0 249.354 3.240 20 10 BGCDRO CC[C@H]([NH2+][C@H](C)c1cccc(OC)c1O)C1CC1 ZINC000850540837 588558928 /nfs/dbraw/zinc/55/89/28/588558928.db2.gz RRBXDFRTJISYDQ-MFKMUULPSA-N 1 0 249.354 3.240 20 10 BGCDRO CC[C@@H]([NH2+][C@H](C)c1cccc(OC)c1O)C1CC1 ZINC000850540838 588558933 /nfs/dbraw/zinc/55/89/33/588558933.db2.gz RRBXDFRTJISYDQ-ZWNOBZJWSA-N 1 0 249.354 3.240 20 10 BGCDRO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850555257 588560220 /nfs/dbraw/zinc/56/02/20/588560220.db2.gz ISNAWLRFSZUNFW-ABAIWWIYSA-N 1 0 231.339 3.158 20 10 BGCDRO CC1(C)C[C@@]1(C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000850555258 588560261 /nfs/dbraw/zinc/56/02/61/588560261.db2.gz ISNAWLRFSZUNFW-IAQYHMDHSA-N 1 0 231.339 3.158 20 10 BGCDRO CC1(C)C[C@]1(C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850555259 588560383 /nfs/dbraw/zinc/56/03/83/588560383.db2.gz ISNAWLRFSZUNFW-NHYWBVRUSA-N 1 0 231.339 3.158 20 10 BGCDRO CC1(C)C[C@@]1(C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000850555260 588560130 /nfs/dbraw/zinc/56/01/30/588560130.db2.gz ISNAWLRFSZUNFW-XHDPSFHLSA-N 1 0 231.339 3.158 20 10 BGCDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccccc1O ZINC000850555305 588560095 /nfs/dbraw/zinc/56/00/95/588560095.db2.gz JTYIZTROINTWNQ-HZMBPMFUSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccccc1O ZINC000850555306 588560068 /nfs/dbraw/zinc/56/00/68/588560068.db2.gz JTYIZTROINTWNQ-IINYFYTJSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccccc1O ZINC000850555307 588560451 /nfs/dbraw/zinc/56/04/51/588560451.db2.gz JTYIZTROINTWNQ-QMTHXVAHSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccccc1O ZINC000850555308 588559774 /nfs/dbraw/zinc/55/97/74/588559774.db2.gz JTYIZTROINTWNQ-YGRLFVJLSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1cc(F)ccc1O ZINC000850555967 588560285 /nfs/dbraw/zinc/56/02/85/588560285.db2.gz OAMYLRGIXDWYQO-LKFCYVNXSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1cc(F)ccc1O ZINC000850555968 588560422 /nfs/dbraw/zinc/56/04/22/588560422.db2.gz OAMYLRGIXDWYQO-OTYXRUKQSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1cc(F)ccc1O ZINC000850555969 588560248 /nfs/dbraw/zinc/56/02/48/588560248.db2.gz OAMYLRGIXDWYQO-XPTSAGLGSA-N 1 0 237.318 3.371 20 10 BGCDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1cc(F)ccc1O ZINC000850555970 588560119 /nfs/dbraw/zinc/56/01/19/588560119.db2.gz OAMYLRGIXDWYQO-YMTOWFKASA-N 1 0 237.318 3.371 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)c1O ZINC000850556005 588560074 /nfs/dbraw/zinc/56/00/74/588560074.db2.gz OUTDTFTUKODVFI-BMIGLBTASA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@@]2(C)CC2(C)C)c1O ZINC000850556006 588560344 /nfs/dbraw/zinc/56/03/44/588560344.db2.gz OUTDTFTUKODVFI-BONVTDFDSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+][C@]2(C)CC2(C)C)c1O ZINC000850556008 588560415 /nfs/dbraw/zinc/56/04/15/588560415.db2.gz OUTDTFTUKODVFI-MEBBXXQBSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@H](C)[NH2+][C@]2(C)CC2(C)C)c1O ZINC000850556010 588560303 /nfs/dbraw/zinc/56/03/03/588560303.db2.gz OUTDTFTUKODVFI-ZUZCIYMTSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CC2=CCCC2)c1O ZINC000850556320 588560429 /nfs/dbraw/zinc/56/04/29/588560429.db2.gz GGJHKEGHIYTYPJ-LLVKDONJSA-N 1 0 247.338 3.162 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CC2=CCCC2)c1O ZINC000850556322 588560418 /nfs/dbraw/zinc/56/04/18/588560418.db2.gz GGJHKEGHIYTYPJ-NSHDSACASA-N 1 0 247.338 3.162 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@]2(C)CC2(C)C)c1 ZINC000850556524 588560274 /nfs/dbraw/zinc/56/02/74/588560274.db2.gz RGMOFEOLWHTCMF-BMIGLBTASA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@]2(C)CC2(C)C)c1 ZINC000850556526 588560297 /nfs/dbraw/zinc/56/02/97/588560297.db2.gz RGMOFEOLWHTCMF-BONVTDFDSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@]2(C)CC2(C)C)c1 ZINC000850556528 588560133 /nfs/dbraw/zinc/56/01/33/588560133.db2.gz RGMOFEOLWHTCMF-MEBBXXQBSA-N 1 0 249.354 3.240 20 10 BGCDRO COc1ccc(O)c([C@H](C)[NH2+][C@]2(C)CC2(C)C)c1 ZINC000850556530 588560135 /nfs/dbraw/zinc/56/01/35/588560135.db2.gz RGMOFEOLWHTCMF-ZUZCIYMTSA-N 1 0 249.354 3.240 20 10 BGCDRO C[C@@H]([NH2+]CCCc1ccco1)c1ccccc1O ZINC000850570289 588561247 /nfs/dbraw/zinc/56/12/47/588561247.db2.gz UCIHFJKOICGEOQ-GFCCVEGCSA-N 1 0 245.322 3.269 20 10 BGCDRO C[C@H]([NH2+]CCCc1ccco1)c1ccccc1O ZINC000850570290 588560963 /nfs/dbraw/zinc/56/09/63/588560963.db2.gz UCIHFJKOICGEOQ-LBPRGKRZSA-N 1 0 245.322 3.269 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]C2CC(C)(C)C2)c1O ZINC000850576771 588561349 /nfs/dbraw/zinc/56/13/49/588561349.db2.gz RQOCJJAQAGNQHF-JTQLQIEISA-N 1 0 249.354 3.240 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]C2CC(C)(C)C2)c1O ZINC000850576772 588561189 /nfs/dbraw/zinc/56/11/89/588561189.db2.gz RQOCJJAQAGNQHF-SNVBAGLBSA-N 1 0 249.354 3.240 20 10 BGCDRO CC(C)=CCC[N@@H+](C)Cc1ccccc1O ZINC000851841162 588634354 /nfs/dbraw/zinc/63/43/54/588634354.db2.gz NNBKVMRQWYBZNV-UHFFFAOYSA-N 1 0 219.328 3.180 20 10 BGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000851841439 588634152 /nfs/dbraw/zinc/63/41/52/588634152.db2.gz RWNCPVZOQXENLM-NFAWXSAZSA-N 1 0 245.366 3.260 20 10 BGCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000851841441 588634489 /nfs/dbraw/zinc/63/44/89/588634489.db2.gz RWNCPVZOQXENLM-VNHYZAJKSA-N 1 0 245.366 3.260 20 10 BGCDRO C[N@H+](CCC1CCC1)Cc1ccccc1O ZINC000851841639 588634215 /nfs/dbraw/zinc/63/42/15/588634215.db2.gz WBZSSTMEHDRTIP-UHFFFAOYSA-N 1 0 219.328 3.014 20 10 BGCDRO C[N@H+](CCCC1CCC1)Cc1ccccc1O ZINC000851841921 588634335 /nfs/dbraw/zinc/63/43/35/588634335.db2.gz ZVFBSUHFCKUFEB-UHFFFAOYSA-N 1 0 233.355 3.404 20 10 BGCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000852219524 588673656 /nfs/dbraw/zinc/67/36/56/588673656.db2.gz PVLCRUQRTZQQBR-HOCLYGCPSA-N 1 0 244.382 3.127 20 10 BGCDRO Cc1cc(C[N@@H+]2CC3CC2(C)C3)ccc1N(C)C ZINC000852785688 588702395 /nfs/dbraw/zinc/70/23/95/588702395.db2.gz FLCIQZFGAUJUKT-UHFFFAOYSA-N 1 0 244.382 3.045 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC2CC(C)C2)cc1C ZINC000856810894 588878780 /nfs/dbraw/zinc/87/87/80/588878780.db2.gz AKYFKWISGFYFBC-UHFFFAOYSA-N 1 0 233.355 3.145 20 10 BGCDRO CCc1cccc(C[NH+]2CC(CC3CC3)C2)c1O ZINC000857066484 588885068 /nfs/dbraw/zinc/88/50/68/588885068.db2.gz LRZFYAKEAXWFNI-UHFFFAOYSA-N 1 0 245.366 3.187 20 10 BGCDRO Cc1cc(O)c(C[NH+]2CC(CC3CC3)C2)cc1C ZINC000857066620 588885024 /nfs/dbraw/zinc/88/50/24/588885024.db2.gz PNUQTDRYKTXFCR-UHFFFAOYSA-N 1 0 245.366 3.241 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CC2CC(C)C2)c1O ZINC000857082730 588885849 /nfs/dbraw/zinc/88/58/49/588885849.db2.gz QHTKRVUHGQUWFZ-CXQJBGSLSA-N 1 0 249.354 3.098 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CC2CC(C)C2)c1O ZINC000857082731 588886140 /nfs/dbraw/zinc/88/61/40/588886140.db2.gz QHTKRVUHGQUWFZ-MOENNCHZSA-N 1 0 249.354 3.098 20 10 BGCDRO CCc1ccc(C[NH2+]Cc2cc(C)ccc2O)o1 ZINC000858236997 588940001 /nfs/dbraw/zinc/94/00/01/588940001.db2.gz CMFBGVHWXMDVAV-UHFFFAOYSA-N 1 0 245.322 3.146 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000858239907 588940250 /nfs/dbraw/zinc/94/02/50/588940250.db2.gz WGTPZPSUJNPIGE-CQDKDKBSSA-N 1 0 245.366 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)c1 ZINC000858239908 588940504 /nfs/dbraw/zinc/94/05/04/588940504.db2.gz WGTPZPSUJNPIGE-UGFHNGPFSA-N 1 0 245.366 3.225 20 10 BGCDRO Cc1sccc1C[NH2+]Cc1cc(C)ccc1O ZINC000858239974 588940452 /nfs/dbraw/zinc/94/04/52/588940452.db2.gz XYMNQSBFMZFEIK-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO CCC[C@@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000858239982 588940283 /nfs/dbraw/zinc/94/02/83/588940283.db2.gz YBJZILMDCAKBGJ-GFCCVEGCSA-N 1 0 221.344 3.226 20 10 BGCDRO CCC[C@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000858239983 588940145 /nfs/dbraw/zinc/94/01/45/588940145.db2.gz YBJZILMDCAKBGJ-LBPRGKRZSA-N 1 0 221.344 3.226 20 10 BGCDRO C/C=C\C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000858291040 588942436 /nfs/dbraw/zinc/94/24/36/588942436.db2.gz MGJZIFCUAPUJSX-ARJAWSKDSA-N 1 0 225.719 3.020 20 10 BGCDRO C/C=C/C[NH2+]Cc1c(O)cc(C)cc1Cl ZINC000858291041 588942511 /nfs/dbraw/zinc/94/25/11/588942511.db2.gz MGJZIFCUAPUJSX-ONEGZZNKSA-N 1 0 225.719 3.020 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1 ZINC000858291385 588942546 /nfs/dbraw/zinc/94/25/46/588942546.db2.gz XLFHXORLCKLOIU-YWVIFJGQSA-N 1 0 245.366 3.226 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]CC2CC=CC2)c1O ZINC000858462449 588957101 /nfs/dbraw/zinc/95/71/01/588957101.db2.gz BODJZZFRCIKIBT-LLVKDONJSA-N 1 0 247.338 3.018 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]CC2CC=CC2)c1O ZINC000858462450 588956892 /nfs/dbraw/zinc/95/68/92/588956892.db2.gz BODJZZFRCIKIBT-NSHDSACASA-N 1 0 247.338 3.018 20 10 BGCDRO C/C=C/C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000858536109 588963165 /nfs/dbraw/zinc/96/31/65/588963165.db2.gz FKJZZMLWWLXTOE-KEDPEKRHSA-N 1 0 232.371 3.369 20 10 BGCDRO C/C=C\C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000858536110 588962997 /nfs/dbraw/zinc/96/29/97/588962997.db2.gz FKJZZMLWWLXTOE-PKYBCLHXSA-N 1 0 232.371 3.369 20 10 BGCDRO C/C=C/C[NH2+][C@@H](CC)c1ccc(N(C)C)cc1 ZINC000858536112 588963179 /nfs/dbraw/zinc/96/31/79/588963179.db2.gz FKJZZMLWWLXTOE-ZKKXHLJNSA-N 1 0 232.371 3.369 20 10 BGCDRO C/C=C\C[NH2+][C@H](CC)c1ccc(N(C)C)cc1 ZINC000858536114 588963789 /nfs/dbraw/zinc/96/37/89/588963789.db2.gz FKJZZMLWWLXTOE-ZQMJAJRESA-N 1 0 232.371 3.369 20 10 BGCDRO C/C=C/C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858536118 588963582 /nfs/dbraw/zinc/96/35/82/588963582.db2.gz DQEDLRWEADOUDG-IDFWJGBYSA-N 1 0 235.302 3.245 20 10 BGCDRO C/C=C/C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858536119 588963843 /nfs/dbraw/zinc/96/38/43/588963843.db2.gz DQEDLRWEADOUDG-NCDNIOQDSA-N 1 0 235.302 3.245 20 10 BGCDRO C/C=C\C[NH2+][C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000858536121 588963732 /nfs/dbraw/zinc/96/37/32/588963732.db2.gz DQEDLRWEADOUDG-QKXNICGJSA-N 1 0 235.302 3.245 20 10 BGCDRO C/C=C\C[NH2+][C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000858536123 588963572 /nfs/dbraw/zinc/96/35/72/588963572.db2.gz DQEDLRWEADOUDG-QLCCLCOCSA-N 1 0 235.302 3.245 20 10 BGCDRO C/C=C/C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000858536761 588963616 /nfs/dbraw/zinc/96/36/16/588963616.db2.gz KECMEPBFTAFPHH-AAOUONPWSA-N 1 0 245.366 3.498 20 10 BGCDRO C/C=C\C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000858536762 588963655 /nfs/dbraw/zinc/96/36/55/588963655.db2.gz KECMEPBFTAFPHH-MVZIDQBPSA-N 1 0 245.366 3.498 20 10 BGCDRO C/C=C/C[NH2+][C@@H](C)c1cc2c(cc1O)CCCC2 ZINC000858536763 588963902 /nfs/dbraw/zinc/96/39/02/588963902.db2.gz KECMEPBFTAFPHH-PCAWENJQSA-N 1 0 245.366 3.498 20 10 BGCDRO C/C=C\C[NH2+][C@H](C)c1cc2c(cc1O)CCCC2 ZINC000858536764 588963566 /nfs/dbraw/zinc/96/35/66/588963566.db2.gz KECMEPBFTAFPHH-VSQXVHSFSA-N 1 0 245.366 3.498 20 10 BGCDRO C/C=C/C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000858536910 588963564 /nfs/dbraw/zinc/96/35/64/588963564.db2.gz KWVWQEUZSRSRHI-IYNGYCSASA-N 1 0 232.371 3.369 20 10 BGCDRO C/C=C\C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000858536912 588963486 /nfs/dbraw/zinc/96/34/86/588963486.db2.gz KWVWQEUZSRSRHI-SCXUMTSISA-N 1 0 232.371 3.369 20 10 BGCDRO C/C=C\C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1 ZINC000858536914 588963586 /nfs/dbraw/zinc/96/35/86/588963586.db2.gz KWVWQEUZSRSRHI-VGVVRCBHSA-N 1 0 232.371 3.369 20 10 BGCDRO C/C=C/C[NH2+][C@H](C)c1ccc(N(C)CC)cc1 ZINC000858536915 588963618 /nfs/dbraw/zinc/96/36/18/588963618.db2.gz KWVWQEUZSRSRHI-VUDGCMKMSA-N 1 0 232.371 3.369 20 10 BGCDRO C/C=C/C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000858536917 588963837 /nfs/dbraw/zinc/96/38/37/588963837.db2.gz KZCGGFNUWVVDBB-CDAZIORVSA-N 1 0 225.719 3.272 20 10 BGCDRO C/C=C/C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000858536919 588963904 /nfs/dbraw/zinc/96/39/04/588963904.db2.gz KZCGGFNUWVVDBB-NWALNABHSA-N 1 0 225.719 3.272 20 10 BGCDRO C/C=C\C[NH2+][C@@H](C)c1ccc(Cl)cc1O ZINC000858536920 588963613 /nfs/dbraw/zinc/96/36/13/588963613.db2.gz KZCGGFNUWVVDBB-TYRPZCRBSA-N 1 0 225.719 3.272 20 10 BGCDRO C/C=C\C[NH2+][C@H](C)c1ccc(Cl)cc1O ZINC000858536922 588963549 /nfs/dbraw/zinc/96/35/49/588963549.db2.gz KZCGGFNUWVVDBB-ZBJFTSOASA-N 1 0 225.719 3.272 20 10 BGCDRO C/C=C/C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000858537005 588963512 /nfs/dbraw/zinc/96/35/12/588963512.db2.gz LWNFGWVJBDQGRL-BTDICHCPSA-N 1 0 219.328 3.236 20 10 BGCDRO C/C=C\C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000858537008 588963526 /nfs/dbraw/zinc/96/35/26/588963526.db2.gz LWNFGWVJBDQGRL-FJOGCWAESA-N 1 0 219.328 3.236 20 10 BGCDRO C/C=C\C[NH2+][C@H](C)c1c(C)cc(C)cc1O ZINC000858537010 588963659 /nfs/dbraw/zinc/96/36/59/588963659.db2.gz LWNFGWVJBDQGRL-FOQNGQEVSA-N 1 0 219.328 3.236 20 10 BGCDRO C/C=C/C[NH2+][C@@H](C)c1c(C)cc(C)cc1O ZINC000858537012 588963754 /nfs/dbraw/zinc/96/37/54/588963754.db2.gz LWNFGWVJBDQGRL-FYJFLYSWSA-N 1 0 219.328 3.236 20 10 BGCDRO C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1O ZINC000858537123 588963811 /nfs/dbraw/zinc/96/38/11/588963811.db2.gz MOEZZXWJFOMEMO-JFILPPLUSA-N 1 0 245.366 3.479 20 10 BGCDRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccccc1O ZINC000858537125 588963674 /nfs/dbraw/zinc/96/36/74/588963674.db2.gz MOEZZXWJFOMEMO-NFFDBFGFSA-N 1 0 245.366 3.479 20 10 BGCDRO C/C=C/C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000858537579 588963817 /nfs/dbraw/zinc/96/38/17/588963817.db2.gz PHNBPTNCFSZZCJ-BTDICHCPSA-N 1 0 219.328 3.236 20 10 BGCDRO C/C=C\C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000858537580 588963498 /nfs/dbraw/zinc/96/34/98/588963498.db2.gz PHNBPTNCFSZZCJ-FJOGCWAESA-N 1 0 219.328 3.236 20 10 BGCDRO C/C=C\C[NH2+][C@H](C)c1ccc(C)c(C)c1O ZINC000858537581 588963849 /nfs/dbraw/zinc/96/38/49/588963849.db2.gz PHNBPTNCFSZZCJ-FOQNGQEVSA-N 1 0 219.328 3.236 20 10 BGCDRO C/C=C/C[NH2+][C@@H](C)c1ccc(C)c(C)c1O ZINC000858537582 588963882 /nfs/dbraw/zinc/96/38/82/588963882.db2.gz PHNBPTNCFSZZCJ-FYJFLYSWSA-N 1 0 219.328 3.236 20 10 BGCDRO C/C=C\C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000858537751 588963670 /nfs/dbraw/zinc/96/36/70/588963670.db2.gz PQBKOFMMDUKEPB-AGLBCWCQSA-N 1 0 219.328 3.317 20 10 BGCDRO C/C=C/C[NH2+][C@@H](CC)c1ccc(C)cc1O ZINC000858537752 588963910 /nfs/dbraw/zinc/96/39/10/588963910.db2.gz PQBKOFMMDUKEPB-BPJJOFIESA-N 1 0 219.328 3.317 20 10 BGCDRO C/C=C/C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000858537753 588963862 /nfs/dbraw/zinc/96/38/62/588963862.db2.gz PQBKOFMMDUKEPB-DIECRNLCSA-N 1 0 219.328 3.317 20 10 BGCDRO C/C=C\C[NH2+][C@H](CC)c1ccc(C)cc1O ZINC000858537754 588963230 /nfs/dbraw/zinc/96/32/30/588963230.db2.gz PQBKOFMMDUKEPB-RYWCDNDXSA-N 1 0 219.328 3.317 20 10 BGCDRO C/C=C/C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000858538541 588963692 /nfs/dbraw/zinc/96/36/92/588963692.db2.gz VOBHPENHQDAJBG-CDAZIORVSA-N 1 0 225.719 3.272 20 10 BGCDRO C/C=C/C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000858538543 588963745 /nfs/dbraw/zinc/96/37/45/588963745.db2.gz VOBHPENHQDAJBG-NWALNABHSA-N 1 0 225.719 3.272 20 10 BGCDRO C/C=C\C[NH2+][C@@H](C)c1cc(Cl)ccc1O ZINC000858538545 588963505 /nfs/dbraw/zinc/96/35/05/588963505.db2.gz VOBHPENHQDAJBG-TYRPZCRBSA-N 1 0 225.719 3.272 20 10 BGCDRO C/C=C\C[NH2+][C@H](C)c1cc(Cl)ccc1O ZINC000858538548 588963520 /nfs/dbraw/zinc/96/35/20/588963520.db2.gz VOBHPENHQDAJBG-ZBJFTSOASA-N 1 0 225.719 3.272 20 10 BGCDRO Cc1cc(C[NH+](C2CC2)C2CC2)ccc1N(C)C ZINC000859625913 589049457 /nfs/dbraw/zinc/04/94/57/589049457.db2.gz DUIONIFECJIKEI-UHFFFAOYSA-N 1 0 244.382 3.188 20 10 BGCDRO CCN(C)c1ccc(C[NH+](C2CC2)C2CC2)cc1 ZINC000859628713 589050354 /nfs/dbraw/zinc/05/03/54/589050354.db2.gz ZEDLCTWXGFZHMI-UHFFFAOYSA-N 1 0 244.382 3.270 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1CC=CC1 ZINC000862454648 589216056 /nfs/dbraw/zinc/21/60/56/589216056.db2.gz IHRWBPHVQKZKFB-UHFFFAOYSA-N 1 0 244.382 3.117 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC=C(C)CC2)c1 ZINC000862478310 589216782 /nfs/dbraw/zinc/21/67/82/589216782.db2.gz FOAYAFCLTGJEIY-AWEZNQCLSA-N 1 0 231.339 3.289 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC=C(C)CC2)c1 ZINC000862478314 589216655 /nfs/dbraw/zinc/21/66/55/589216655.db2.gz FOAYAFCLTGJEIY-CQSZACIVSA-N 1 0 231.339 3.289 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000862478752 589217030 /nfs/dbraw/zinc/21/70/30/589217030.db2.gz PKGYYYGDQMRCRP-CABCVRRESA-N 1 0 245.366 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000862478753 589217138 /nfs/dbraw/zinc/21/71/38/589217138.db2.gz PKGYYYGDQMRCRP-GJZGRUSLSA-N 1 0 245.366 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000862478754 589217135 /nfs/dbraw/zinc/21/71/35/589217135.db2.gz PKGYYYGDQMRCRP-HUUCEWRRSA-N 1 0 245.366 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000862478755 589216924 /nfs/dbraw/zinc/21/69/24/589216924.db2.gz PKGYYYGDQMRCRP-LSDHHAIUSA-N 1 0 245.366 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@H]2C(C)C)c1 ZINC000862478803 589216806 /nfs/dbraw/zinc/21/68/06/589216806.db2.gz QXGULXMLSSDUPJ-KBPBESRZSA-N 1 0 233.355 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H]2C(C)C)c1 ZINC000862478804 589216484 /nfs/dbraw/zinc/21/64/84/589216484.db2.gz QXGULXMLSSDUPJ-KGLIPLIRSA-N 1 0 233.355 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]2C(C)C)c1 ZINC000862478805 583963427 /nfs/dbraw/zinc/96/34/27/583963427.db2.gz QXGULXMLSSDUPJ-UONOGXRCSA-N 1 0 233.355 3.225 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@@H]2C(C)C)c1 ZINC000862478806 583963449 /nfs/dbraw/zinc/96/34/49/583963449.db2.gz QXGULXMLSSDUPJ-ZIAGYGMSSA-N 1 0 233.355 3.225 20 10 BGCDRO C/C=C\C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000862527571 589217796 /nfs/dbraw/zinc/21/77/96/589217796.db2.gz BVBZCQJWOFDGOP-ARJAWSKDSA-N 1 0 225.719 3.020 20 10 BGCDRO C/C=C/C[NH2+]Cc1cc(Cl)c(C)cc1O ZINC000862527573 589217690 /nfs/dbraw/zinc/21/76/90/589217690.db2.gz BVBZCQJWOFDGOP-ONEGZZNKSA-N 1 0 225.719 3.020 20 10 BGCDRO C[C@]1(C[NH2+]Cc2cc(F)ccc2O)C[C@H]2C[C@H]2C1 ZINC000862527902 589217714 /nfs/dbraw/zinc/21/77/14/589217714.db2.gz JYJSWVSXSPACNL-HBYGRHMLSA-N 1 0 249.329 3.057 20 10 BGCDRO Cc1cccc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)c1O ZINC000862528472 589217671 /nfs/dbraw/zinc/21/76/71/589217671.db2.gz WBFROPGYRLXOQP-MIFYACCESA-N 1 0 245.366 3.226 20 10 BGCDRO C/C=C\C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000862529918 589218298 /nfs/dbraw/zinc/21/82/98/589218298.db2.gz HQLYBSPUDUDNCE-ARJAWSKDSA-N 1 0 225.719 3.020 20 10 BGCDRO C/C=C/C[NH2+]Cc1cc(Cl)cc(C)c1O ZINC000862529919 589218190 /nfs/dbraw/zinc/21/81/90/589218190.db2.gz HQLYBSPUDUDNCE-ONEGZZNKSA-N 1 0 225.719 3.020 20 10 BGCDRO Oc1ccccc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000862538776 589218136 /nfs/dbraw/zinc/21/81/36/589218136.db2.gz FLISPPGOZRQGSW-UHFFFAOYSA-N 1 0 231.339 3.158 20 10 BGCDRO Oc1ccc(F)cc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000862539268 589218228 /nfs/dbraw/zinc/21/82/28/589218228.db2.gz LHIPJEMKVCNWDS-UHFFFAOYSA-N 1 0 249.329 3.297 20 10 BGCDRO Cc1cccc(C[N@@H+]2CCCC3(CC3)CC2)c1O ZINC000862539545 589218250 /nfs/dbraw/zinc/21/82/50/589218250.db2.gz PCSBLPUTTVJGQE-UHFFFAOYSA-N 1 0 245.366 3.467 20 10 BGCDRO Cc1ccc(O)c(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000862539732 589218874 /nfs/dbraw/zinc/21/88/74/589218874.db2.gz UKIWRYCURJPYHY-UHFFFAOYSA-N 1 0 245.366 3.467 20 10 BGCDRO Cc1cc(C)c(O)c(C[NH+](C2CC2)C2CC2)c1 ZINC000863303935 589277606 /nfs/dbraw/zinc/27/76/06/589277606.db2.gz ICTQFFXQZFLFGC-UHFFFAOYSA-N 1 0 231.339 3.136 20 10 BGCDRO Cc1cc(O)c(C[NH+](C2CC2)C2CC2)cc1C ZINC000863304413 589277527 /nfs/dbraw/zinc/27/75/27/589277527.db2.gz BFDDRJQDIAUCND-UHFFFAOYSA-N 1 0 231.339 3.136 20 10 BGCDRO Oc1cc2c(cc1C[NH+](C1CC1)C1CC1)CCC2 ZINC000863305182 589277664 /nfs/dbraw/zinc/27/76/64/589277664.db2.gz XFCOZEANJWCUNV-UHFFFAOYSA-N 1 0 243.350 3.008 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)F)c(Cl)c1 ZINC000865653786 589454724 /nfs/dbraw/zinc/45/47/24/589454724.db2.gz ZHBCANLEKFVEBB-UHFFFAOYSA-N 1 0 245.725 3.192 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCC[C@@H]2F)c1 ZINC000865699439 589457280 /nfs/dbraw/zinc/45/72/80/589457280.db2.gz QOCBJNFHIOJIIU-QWHCGFSZSA-N 1 0 237.318 3.071 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2cc(C)c(C)cc2O)o1 ZINC000865724596 589458607 /nfs/dbraw/zinc/45/86/07/589458607.db2.gz ZERNAUSEKSCOON-UHFFFAOYSA-N 1 0 245.322 3.200 20 10 BGCDRO COc1cccc(O)c1C[NH2+][C@H](C)CC1CCC1 ZINC000865733081 589458768 /nfs/dbraw/zinc/45/87/68/589458768.db2.gz BJRGAQIGQCDNGB-LLVKDONJSA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(O)c1C[NH2+][C@@H](C)CC1CCC1 ZINC000865733082 589458902 /nfs/dbraw/zinc/45/89/02/589458902.db2.gz BJRGAQIGQCDNGB-NSHDSACASA-N 1 0 249.354 3.069 20 10 BGCDRO COc1cccc(O)c1C[NH2+]CCCCC1CC1 ZINC000865786682 589461972 /nfs/dbraw/zinc/46/19/72/589461972.db2.gz RPBJOEADISSFCR-UHFFFAOYSA-N 1 0 249.354 3.071 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)F)c(O)c1 ZINC000866407663 589490662 /nfs/dbraw/zinc/49/06/62/589490662.db2.gz BJBKXQOVYMRLIF-JTQLQIEISA-N 1 0 225.307 3.099 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)F)c(O)c1 ZINC000866407679 589490799 /nfs/dbraw/zinc/49/07/99/589490799.db2.gz BJBKXQOVYMRLIF-SNVBAGLBSA-N 1 0 225.307 3.099 20 10 BGCDRO CC[C@@H]([NH2+]CC(C)(C)F)c1ccc(C)cc1O ZINC000866407995 589491315 /nfs/dbraw/zinc/49/13/15/589491315.db2.gz DTQVSWNAYOISAW-GFCCVEGCSA-N 1 0 239.334 3.489 20 10 BGCDRO CC[C@H]([NH2+]CC(C)(C)F)c1ccc(C)cc1O ZINC000866407996 589491482 /nfs/dbraw/zinc/49/14/82/589491482.db2.gz DTQVSWNAYOISAW-LBPRGKRZSA-N 1 0 239.334 3.489 20 10 BGCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)F)c1 ZINC000866408119 589491153 /nfs/dbraw/zinc/49/11/53/589491153.db2.gz GJTRURXRRJXZAQ-JTQLQIEISA-N 1 0 225.307 3.099 20 10 BGCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)F)c1 ZINC000866408120 589491094 /nfs/dbraw/zinc/49/10/94/589491094.db2.gz GJTRURXRRJXZAQ-SNVBAGLBSA-N 1 0 225.307 3.099 20 10 BGCDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)F)c(O)c1C ZINC000866408140 589490553 /nfs/dbraw/zinc/49/05/53/589490553.db2.gz GTKMRZCHVBHVAL-LLVKDONJSA-N 1 0 239.334 3.408 20 10 BGCDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)F)c(O)c1C ZINC000866408141 589490507 /nfs/dbraw/zinc/49/05/07/589490507.db2.gz GTKMRZCHVBHVAL-NSHDSACASA-N 1 0 239.334 3.408 20 10 BGCDRO C[C@@H]([NH2+]CC(C)(C)F)c1cc(Cl)ccc1O ZINC000866408707 589491449 /nfs/dbraw/zinc/49/14/49/589491449.db2.gz OFUVPBJYJXHGRB-MRVPVSSYSA-N 1 0 245.725 3.444 20 10 BGCDRO C[C@H]([NH2+]CC(C)(C)F)c1cc(Cl)ccc1O ZINC000866408708 589491471 /nfs/dbraw/zinc/49/14/71/589491471.db2.gz OFUVPBJYJXHGRB-QMMMGPOBSA-N 1 0 245.725 3.444 20 10 BGCDRO CC[C@@H]([NH2+]CC(C)(C)F)c1ccccc1O ZINC000866408842 589491264 /nfs/dbraw/zinc/49/12/64/589491264.db2.gz PQTBJEMAVFQKLP-LLVKDONJSA-N 1 0 225.307 3.181 20 10 BGCDRO CC[C@H]([NH2+]CC(C)(C)F)c1ccccc1O ZINC000866408843 589491246 /nfs/dbraw/zinc/49/12/46/589491246.db2.gz PQTBJEMAVFQKLP-NSHDSACASA-N 1 0 225.307 3.181 20 10 BGCDRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc(N(C)C)cc1 ZINC000866409426 589491354 /nfs/dbraw/zinc/49/13/54/589491354.db2.gz ZEKQEFFZAQGOKE-LLVKDONJSA-N 1 0 238.350 3.151 20 10 BGCDRO C[C@H]([NH2+]CC(C)(C)F)c1ccc(N(C)C)cc1 ZINC000866409427 589491050 /nfs/dbraw/zinc/49/10/50/589491050.db2.gz ZEKQEFFZAQGOKE-NSHDSACASA-N 1 0 238.350 3.151 20 10 BGCDRO C[C@@H]([NH2+]CC(C)(C)F)c1ccc(Cl)cc1O ZINC000866409705 589491101 /nfs/dbraw/zinc/49/11/01/589491101.db2.gz QXWIDCJZCZLYMG-MRVPVSSYSA-N 1 0 245.725 3.444 20 10 BGCDRO C[C@H]([NH2+]CC(C)(C)F)c1ccc(Cl)cc1O ZINC000866409706 589491384 /nfs/dbraw/zinc/49/13/84/589491384.db2.gz QXWIDCJZCZLYMG-QMMMGPOBSA-N 1 0 245.725 3.444 20 10 BGCDRO Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)F)c(O)c1 ZINC000866410227 589491180 /nfs/dbraw/zinc/49/11/80/589491180.db2.gz YULJZUNCGQQGFJ-LLVKDONJSA-N 1 0 239.334 3.408 20 10 BGCDRO Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)F)c(O)c1 ZINC000866410228 589491387 /nfs/dbraw/zinc/49/13/87/589491387.db2.gz YULJZUNCGQQGFJ-NSHDSACASA-N 1 0 239.334 3.408 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccccc1O ZINC000866450569 589493869 /nfs/dbraw/zinc/49/38/69/589493869.db2.gz XAVPQLGSZZEFKI-KGYLQXTDSA-N 1 0 237.318 3.324 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccccc1O ZINC000866450570 589493750 /nfs/dbraw/zinc/49/37/50/589493750.db2.gz XAVPQLGSZZEFKI-WCFLWFBJSA-N 1 0 237.318 3.324 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)CC2 ZINC000866451850 589494294 /nfs/dbraw/zinc/49/42/94/589494294.db2.gz PQYAPUFCDLOQFF-XQQFMLRXSA-N 1 0 249.329 3.250 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)CC2 ZINC000866451851 589494410 /nfs/dbraw/zinc/49/44/10/589494410.db2.gz PQYAPUFCDLOQFF-YNEHKIRRSA-N 1 0 249.329 3.250 20 10 BGCDRO CCCOc1ccc(C[NH2+]CCCF)cc1C ZINC000873080696 589983337 /nfs/dbraw/zinc/98/33/37/589983337.db2.gz SVASOPFOSCWBRN-UHFFFAOYSA-N 1 0 239.334 3.233 20 10 BGCDRO Oc1ccccc1C[NH2+]CCC[C@@H]1C=CCC1 ZINC000873154205 589987957 /nfs/dbraw/zinc/98/79/57/589987957.db2.gz RQMWMADIVUXSQJ-CYBMUJFWSA-N 1 0 231.339 3.228 20 10 BGCDRO Oc1ccccc1C[NH2+]CCC[C@H]1C=CCC1 ZINC000873154206 589987046 /nfs/dbraw/zinc/98/70/46/589987046.db2.gz RQMWMADIVUXSQJ-ZDUSSCGKSA-N 1 0 231.339 3.228 20 10 BGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccccc1 ZINC000876510212 590205544 /nfs/dbraw/zinc/20/55/44/590205544.db2.gz REYMQXSWXJJQIX-UHFFFAOYSA-N 1 0 241.334 3.333 20 10 BGCDRO Cc1cccc(O)c1C[NH+]1CCCCCC1 ZINC000876524443 590208497 /nfs/dbraw/zinc/20/84/97/590208497.db2.gz QPLNXLHCSQSEBX-UHFFFAOYSA-N 1 0 219.328 3.077 20 10 BGCDRO Cc1ccc(C[N@H+]2CCCC[C@H]2C)c(O)c1 ZINC000876527654 590209022 /nfs/dbraw/zinc/20/90/22/590209022.db2.gz JMZZAUBRZDJSFL-GFCCVEGCSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2C)c(O)c1 ZINC000876527655 590208820 /nfs/dbraw/zinc/20/88/20/590208820.db2.gz JMZZAUBRZDJSFL-LBPRGKRZSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1cccs1 ZINC000876532667 590210379 /nfs/dbraw/zinc/21/03/79/590210379.db2.gz AHMHSAODUHXVMB-UHFFFAOYSA-N 1 0 247.363 3.394 20 10 BGCDRO Cc1ccc(C[N@H+](C)Cc2cccs2)c(O)c1 ZINC000876534867 590210766 /nfs/dbraw/zinc/21/07/66/590210766.db2.gz UIIDFZDZOLRJQU-UHFFFAOYSA-N 1 0 247.363 3.394 20 10 BGCDRO Cc1ccc(C[N@@H+](C)Cc2c(C)cccc2O)o1 ZINC000876535004 590210621 /nfs/dbraw/zinc/21/06/21/590210621.db2.gz JANXVFYHKWCFBW-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO Cc1ccc(C[N@@H+](C)Cc2ccc(C)cc2O)o1 ZINC000876535046 590211355 /nfs/dbraw/zinc/21/13/55/590211355.db2.gz KGGSXYWQAPJNBY-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO Cc1ccc(C[N@H+](C)Cc2ccsc2)c(O)c1 ZINC000876548549 590213974 /nfs/dbraw/zinc/21/39/74/590213974.db2.gz LOPGZQSSAUPEHX-UHFFFAOYSA-N 1 0 247.363 3.394 20 10 BGCDRO Cc1cccc(O)c1C[N@H+](C)Cc1ccsc1 ZINC000876548976 590214538 /nfs/dbraw/zinc/21/45/38/590214538.db2.gz FJBZJSKHKKRZFD-UHFFFAOYSA-N 1 0 247.363 3.394 20 10 BGCDRO Cc1ccc(C[N@@H+](C)C2CCCC2)c(O)c1 ZINC000876553023 590215088 /nfs/dbraw/zinc/21/50/88/590215088.db2.gz IPPUKEDDWKVXRL-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+](C)C1CCCC1 ZINC000876553741 590214870 /nfs/dbraw/zinc/21/48/70/590214870.db2.gz WWRBKSLCJJSELI-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H](C)c1ccco1 ZINC000876572658 590217096 /nfs/dbraw/zinc/21/70/96/590217096.db2.gz OMYGFUOHZZUNNG-GFCCVEGCSA-N 1 0 245.322 3.487 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H](C)c1ccco1 ZINC000876572659 590217215 /nfs/dbraw/zinc/21/72/15/590217215.db2.gz OMYGFUOHZZUNNG-LBPRGKRZSA-N 1 0 245.322 3.487 20 10 BGCDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccco2)c(O)c1 ZINC000876574551 590217430 /nfs/dbraw/zinc/21/74/30/590217430.db2.gz WIOAKAKDEXOLBI-GFCCVEGCSA-N 1 0 245.322 3.487 20 10 BGCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccco2)c(O)c1 ZINC000876574552 590216875 /nfs/dbraw/zinc/21/68/75/590216875.db2.gz WIOAKAKDEXOLBI-LBPRGKRZSA-N 1 0 245.322 3.487 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H](C)C(C)C ZINC000876574695 590217515 /nfs/dbraw/zinc/21/75/15/590217515.db2.gz YGEBQWOIVVQERS-GFCCVEGCSA-N 1 0 221.344 3.177 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H](C)C(C)C ZINC000876574696 590217339 /nfs/dbraw/zinc/21/73/39/590217339.db2.gz YGEBQWOIVVQERS-LBPRGKRZSA-N 1 0 221.344 3.177 20 10 BGCDRO CCC[N@H+](Cc1c(C)cccc1O)C1CC1 ZINC000876575479 590217408 /nfs/dbraw/zinc/21/74/08/590217408.db2.gz GIZWPQOCVZFBDW-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO CCC[N@H+](Cc1ccc(C)cc1O)C1CC1 ZINC000876575544 590217753 /nfs/dbraw/zinc/21/77/53/590217753.db2.gz IIXQRUVJKDOUNK-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1ccc(C[N@@H+](C(C)C)C2CC2)c(O)c1 ZINC000876596150 590219826 /nfs/dbraw/zinc/21/98/26/590219826.db2.gz OHIWBOKYIFBDEM-UHFFFAOYSA-N 1 0 219.328 3.073 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC000876631765 590223753 /nfs/dbraw/zinc/22/37/53/590223753.db2.gz FPRIOUNGHGZXPD-GFCCVEGCSA-N 1 0 219.328 3.075 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC000876631766 590223636 /nfs/dbraw/zinc/22/36/36/590223636.db2.gz FPRIOUNGHGZXPD-LBPRGKRZSA-N 1 0 219.328 3.075 20 10 BGCDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876632153 590224539 /nfs/dbraw/zinc/22/45/39/590224539.db2.gz HUCGTRCJUBKIJV-CYBMUJFWSA-N 1 0 219.328 3.075 20 10 BGCDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876632154 590224498 /nfs/dbraw/zinc/22/44/98/590224498.db2.gz HUCGTRCJUBKIJV-ZDUSSCGKSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1occc1C[N@@H+](C)Cc1ccc(C)cc1O ZINC000876634785 590224294 /nfs/dbraw/zinc/22/42/94/590224294.db2.gz BXYQOMZEXGGMOH-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO Cc1occc1C[N@@H+](C)Cc1c(C)cccc1O ZINC000876635604 590224426 /nfs/dbraw/zinc/22/44/26/590224426.db2.gz ZIFZGMKMGJMYSS-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+](C)C(C1CC1)C1CC1 ZINC000876653299 590226148 /nfs/dbraw/zinc/22/61/48/590226148.db2.gz XOKCXLQXYKIOFR-UHFFFAOYSA-N 1 0 245.366 3.321 20 10 BGCDRO Cc1ccc(C[N@@H+](C)C(C2CC2)C2CC2)c(O)c1 ZINC000876653325 590226436 /nfs/dbraw/zinc/22/64/36/590226436.db2.gz XWVRTRPXSMWLIY-UHFFFAOYSA-N 1 0 245.366 3.321 20 10 BGCDRO Cc1ccc(C[N@@H+]2CCCC2(C)C)c(O)c1 ZINC000876663429 590227050 /nfs/dbraw/zinc/22/70/50/590227050.db2.gz VJSABTQOHDRJSK-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO CC[N@H+](Cc1ccoc1)Cc1c(C)cccc1O ZINC000876677117 590229849 /nfs/dbraw/zinc/22/98/49/590229849.db2.gz HWQWCNXBZBBRHB-UHFFFAOYSA-N 1 0 245.322 3.316 20 10 BGCDRO CC[N@H+](Cc1ccoc1)Cc1ccc(C)cc1O ZINC000876677993 590229627 /nfs/dbraw/zinc/22/96/27/590229627.db2.gz XNFZUBBYGMAXJB-UHFFFAOYSA-N 1 0 245.322 3.316 20 10 BGCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)c(O)c1 ZINC000876689491 590230621 /nfs/dbraw/zinc/23/06/21/590230621.db2.gz DMDYAPDVIXKBEM-AWEZNQCLSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)c(O)c1 ZINC000876689492 590230731 /nfs/dbraw/zinc/23/07/31/590230731.db2.gz DMDYAPDVIXKBEM-CQSZACIVSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000876689675 590230498 /nfs/dbraw/zinc/23/04/98/590230498.db2.gz JMWIHBXGEGXJPK-AWEZNQCLSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000876689676 590230560 /nfs/dbraw/zinc/23/05/60/590230560.db2.gz JMWIHBXGEGXJPK-CQSZACIVSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1cccc(O)c1C[NH+]1Cc2ccccc2C1 ZINC000876695528 590231071 /nfs/dbraw/zinc/23/10/71/590231071.db2.gz AWAOAKKQLFUZCV-UHFFFAOYSA-N 1 0 239.318 3.216 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+]1CCC2(CCC2)C1 ZINC000876741030 590235053 /nfs/dbraw/zinc/23/50/53/590235053.db2.gz HVZDTCNAXNBCKH-UHFFFAOYSA-N 1 0 231.339 3.077 20 10 BGCDRO Cc1ccc(C[N@@H+]2CCC3(CCC3)C2)c(O)c1 ZINC000876741440 590235310 /nfs/dbraw/zinc/23/53/10/590235310.db2.gz JROIEAUVCBPUNH-UHFFFAOYSA-N 1 0 231.339 3.077 20 10 BGCDRO CC[N@H+](Cc1ccc(C)cc1O)C1CCC1 ZINC000876754645 590239201 /nfs/dbraw/zinc/23/92/01/590239201.db2.gz GHYBLLHYTXKZKM-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO CC[N@H+](Cc1c(C)cccc1O)C1CCC1 ZINC000876756891 590239136 /nfs/dbraw/zinc/23/91/36/590239136.db2.gz ZJRWORMZWMVDIX-UHFFFAOYSA-N 1 0 219.328 3.075 20 10 BGCDRO Cc1ccc(C[NH+]2[C@@H](C)CC[C@@H]2C)c(O)c1 ZINC000876808168 590244789 /nfs/dbraw/zinc/24/47/89/590244789.db2.gz OLHGDASAKNZSSU-RYUDHWBXSA-N 1 0 219.328 3.073 20 10 BGCDRO Cc1ccc(C[N@H+]2[C@H](C)CC[C@@H]2C)c(O)c1 ZINC000876808169 590245044 /nfs/dbraw/zinc/24/50/44/590245044.db2.gz OLHGDASAKNZSSU-TXEJJXNPSA-N 1 0 219.328 3.073 20 10 BGCDRO Cc1ccc(C[NH+]2[C@H](C)CC[C@H]2C)c(O)c1 ZINC000876808170 590244872 /nfs/dbraw/zinc/24/48/72/590244872.db2.gz OLHGDASAKNZSSU-VXGBXAGGSA-N 1 0 219.328 3.073 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]C1CCCCC1 ZINC000876876246 590252396 /nfs/dbraw/zinc/25/23/96/590252396.db2.gz CDAUQUBWVVALQU-UHFFFAOYSA-N 1 0 219.328 3.123 20 10 BGCDRO Cc1ccccc1C[NH2+]Cc1c(C)cccc1O ZINC000876882858 590252712 /nfs/dbraw/zinc/25/27/12/590252712.db2.gz UHPINAAWAWSLBT-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]CCc1ccccc1 ZINC000876889210 590254095 /nfs/dbraw/zinc/25/40/95/590254095.db2.gz LKMILWXPRWNHON-UHFFFAOYSA-N 1 0 241.334 3.033 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2O)cc1 ZINC000876890759 590254191 /nfs/dbraw/zinc/25/41/91/590254191.db2.gz IVUSBDGMRVIJQZ-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]CCc1cccs1 ZINC000876892504 590254926 /nfs/dbraw/zinc/25/49/26/590254926.db2.gz QHBOZAKLHCPUJP-UHFFFAOYSA-N 1 0 247.363 3.094 20 10 BGCDRO Cc1ccc(C[NH2+]CCc2cccs2)c(O)c1 ZINC000876892738 590254912 /nfs/dbraw/zinc/25/49/12/590254912.db2.gz SUMSCWNHLQTUER-UHFFFAOYSA-N 1 0 247.363 3.094 20 10 BGCDRO Cc1ccc(C[NH2+]C2(C)CCCC2)c(O)c1 ZINC000876899008 590255425 /nfs/dbraw/zinc/25/54/25/590255425.db2.gz RXQCPFJSYAWSOV-UHFFFAOYSA-N 1 0 219.328 3.123 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000876910650 590255872 /nfs/dbraw/zinc/25/58/72/590255872.db2.gz IDWQUHOZZZVIBD-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1cccc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000876911276 590255942 /nfs/dbraw/zinc/25/59/42/590255942.db2.gz ZRMHSPXABFSMNB-UHFFFAOYSA-N 1 0 241.334 3.299 20 10 BGCDRO Cc1ccc(C[NH2+]CCc2ccsc2)c(O)c1 ZINC000876913120 590256625 /nfs/dbraw/zinc/25/66/25/590256625.db2.gz ARGNKAZFSJOOEV-UHFFFAOYSA-N 1 0 247.363 3.094 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]CCc1ccsc1 ZINC000876913709 590256402 /nfs/dbraw/zinc/25/64/02/590256402.db2.gz JRMNGTKCUIDUPI-UHFFFAOYSA-N 1 0 247.363 3.094 20 10 BGCDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccco2)c(O)c1 ZINC000876917754 590256909 /nfs/dbraw/zinc/25/69/09/590256909.db2.gz VREHOIPTDGNGGT-GFCCVEGCSA-N 1 0 245.322 3.014 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccco2)c(O)c1 ZINC000876917755 590257043 /nfs/dbraw/zinc/25/70/43/590257043.db2.gz VREHOIPTDGNGGT-LBPRGKRZSA-N 1 0 245.322 3.014 20 10 BGCDRO Cc1ccc(C[NH2+]Cc2c(C)cccc2O)s1 ZINC000876939138 590259130 /nfs/dbraw/zinc/25/91/30/590259130.db2.gz DMXZZEHUHXRKGY-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1ccsc1C[NH2+]Cc1ccc(C)cc1O ZINC000876986439 590265063 /nfs/dbraw/zinc/26/50/63/590265063.db2.gz CZFGIUPHJSOVTP-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1ccsc1C[NH2+]Cc1c(C)cccc1O ZINC000876986873 590265044 /nfs/dbraw/zinc/26/50/44/590265044.db2.gz MXVVFKYNJPMVIO-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)c(O)c1 ZINC000876987848 590265363 /nfs/dbraw/zinc/26/53/63/590265363.db2.gz LFIGBPHMIUYQLX-CYBMUJFWSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)c(O)c1 ZINC000876987849 590265393 /nfs/dbraw/zinc/26/53/93/590265393.db2.gz LFIGBPHMIUYQLX-ZDUSSCGKSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC=CCC1 ZINC000876988115 590265730 /nfs/dbraw/zinc/26/57/30/590265730.db2.gz VJLWTEZKINNWEG-CYBMUJFWSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC=CCC1 ZINC000876988117 590265578 /nfs/dbraw/zinc/26/55/78/590265578.db2.gz VJLWTEZKINNWEG-ZDUSSCGKSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1ccc(C[NH2+]C(C)(C)C(C)C)c(O)c1 ZINC000877009642 590268939 /nfs/dbraw/zinc/26/89/39/590268939.db2.gz UYHOXRMXOKBEPE-UHFFFAOYSA-N 1 0 221.344 3.225 20 10 BGCDRO Cc1ccc(C[NH2+]CCCC(F)(F)F)c(O)c1 ZINC000877064343 590276958 /nfs/dbraw/zinc/27/69/58/590276958.db2.gz RWEWLHZWVQCVMQ-UHFFFAOYSA-N 1 0 247.260 3.133 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]CCCC(F)(F)F ZINC000877064494 590276837 /nfs/dbraw/zinc/27/68/37/590276837.db2.gz UCVVIOKAMOPYPM-UHFFFAOYSA-N 1 0 247.260 3.133 20 10 BGCDRO CCC1([NH2+]Cc2ccc(C)cc2O)CCC1 ZINC000877079967 590280057 /nfs/dbraw/zinc/28/00/57/590280057.db2.gz MQXFHBTTZRXMQN-UHFFFAOYSA-N 1 0 219.328 3.123 20 10 BGCDRO Cc1ccc(CNc2cc(C)cc(C)[nH+]2)c(O)c1 ZINC000877114793 590287988 /nfs/dbraw/zinc/28/79/88/590287988.db2.gz BSCNYLJNBLBBAB-UHFFFAOYSA-N 1 0 242.322 3.325 20 10 BGCDRO Cc1cc(C)[nH+]c(NCc2c(C)cccc2O)c1 ZINC000877115963 590288437 /nfs/dbraw/zinc/28/84/37/590288437.db2.gz YAURHGYCUNYZCY-UHFFFAOYSA-N 1 0 242.322 3.325 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]CCC1=CCCC1 ZINC000877118982 590288323 /nfs/dbraw/zinc/28/83/23/590288323.db2.gz RAQBSZZWKYOJFQ-UHFFFAOYSA-N 1 0 231.339 3.291 20 10 BGCDRO Cc1ccc(C[NH2+]CCC2=CCCC2)c(O)c1 ZINC000877119196 590288736 /nfs/dbraw/zinc/28/87/36/590288736.db2.gz UTZCPDWKSVIHNZ-UHFFFAOYSA-N 1 0 231.339 3.291 20 10 BGCDRO Cc1ccc(C[NH2+]C23CCC(CC2)C3)c(O)c1 ZINC000877309954 590312584 /nfs/dbraw/zinc/31/25/84/590312584.db2.gz WJLHYUKAOQBBHD-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+][C@H](C)CC(F)(F)F)c(O)c1 ZINC000877382578 590317834 /nfs/dbraw/zinc/31/78/34/590317834.db2.gz LTJYBPDOHSFORK-SECBINFHSA-N 1 0 247.260 3.131 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)c(O)c1 ZINC000877382584 590317898 /nfs/dbraw/zinc/31/78/98/590317898.db2.gz LTJYBPDOHSFORK-VIFPVBQESA-N 1 0 247.260 3.131 20 10 BGCDRO CC(C)=CCC[NH2+]Cc1c(C)cccc1O ZINC000877471801 590334707 /nfs/dbraw/zinc/33/47/07/590334707.db2.gz AYHXKEAKEGCLGN-UHFFFAOYSA-N 1 0 219.328 3.147 20 10 BGCDRO CC(C)=CCC[NH2+]Cc1ccc(C)cc1O ZINC000877472027 590334759 /nfs/dbraw/zinc/33/47/59/590334759.db2.gz HPCOGIMSSKZBAH-UHFFFAOYSA-N 1 0 219.328 3.147 20 10 BGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CC12CCCC2 ZINC000877476555 583316947 /nfs/dbraw/zinc/31/69/47/583316947.db2.gz HKEBOQWMVSPZBQ-AWEZNQCLSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC12CCCC2 ZINC000877476556 583316725 /nfs/dbraw/zinc/31/67/25/583316725.db2.gz HKEBOQWMVSPZBQ-CQSZACIVSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+][C@H]2CC23CCCC3)c(O)c1 ZINC000877477187 583317621 /nfs/dbraw/zinc/31/76/21/583317621.db2.gz ZRHDGZOYBIJOFI-AWEZNQCLSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H]2CC23CCCC3)c(O)c1 ZINC000877477188 583317704 /nfs/dbraw/zinc/31/77/04/583317704.db2.gz ZRHDGZOYBIJOFI-CQSZACIVSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cscc1C[NH2+]Cc1ccc(C)cc1O ZINC000877483774 590337977 /nfs/dbraw/zinc/33/79/77/590337977.db2.gz PKHSDXFFOQYDLX-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1cscc1C[NH2+]Cc1c(C)cccc1O ZINC000877484039 590338157 /nfs/dbraw/zinc/33/81/57/590338157.db2.gz UFXDKCFQBUVMSA-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1ccc(C[NH2+]CCC2(F)CCC2)c(O)c1 ZINC000877533471 590350419 /nfs/dbraw/zinc/35/04/19/590350419.db2.gz OQUAAGZVFSEWFB-UHFFFAOYSA-N 1 0 237.318 3.073 20 10 BGCDRO Cc1cccc(O)c1C[NH+]1CC2(C1)CCCC2 ZINC000877533509 590349996 /nfs/dbraw/zinc/34/99/96/590349996.db2.gz PLCQPDHFDZKPPX-UHFFFAOYSA-N 1 0 231.339 3.077 20 10 BGCDRO Cc1ccc(C[NH+]2CC3(C2)CCCC3)c(O)c1 ZINC000877533939 590349915 /nfs/dbraw/zinc/34/99/15/590349915.db2.gz VCLCWJGYEYWXMG-UHFFFAOYSA-N 1 0 231.339 3.077 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]CCC1(F)CCC1 ZINC000877534158 590350173 /nfs/dbraw/zinc/35/01/73/590350173.db2.gz ZVXWBPPEEHENAS-UHFFFAOYSA-N 1 0 237.318 3.073 20 10 BGCDRO Cc1ccoc1C[N@@H+](C)Cc1c(C)cccc1O ZINC000877545375 590353582 /nfs/dbraw/zinc/35/35/82/590353582.db2.gz HDJCREMCAUVNKY-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO Cc1ccoc1C[N@@H+](C)Cc1ccc(C)cc1O ZINC000877545575 590352650 /nfs/dbraw/zinc/35/26/50/590352650.db2.gz IQDPKXJZDQPUSU-UHFFFAOYSA-N 1 0 245.322 3.234 20 10 BGCDRO Cc1ccc(C[NH2+]CCCC(C)(F)F)c(O)c1 ZINC000877557289 583330426 /nfs/dbraw/zinc/33/04/26/583330426.db2.gz JXOBZKRPKFFFMK-UHFFFAOYSA-N 1 0 243.297 3.226 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@](C)(F)C1 ZINC000877557317 590357241 /nfs/dbraw/zinc/35/72/41/590357241.db2.gz KDMCTACTPCFPJM-AWEZNQCLSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@](C)(F)C1 ZINC000877557318 590357227 /nfs/dbraw/zinc/35/72/27/590357227.db2.gz KDMCTACTPCFPJM-CQSZACIVSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1ccc(C[N@@H+]2CCC[C@](C)(F)C2)c(O)c1 ZINC000877557351 590357684 /nfs/dbraw/zinc/35/76/84/590357684.db2.gz KYJDTVZRPZXTNC-AWEZNQCLSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1ccc(C[N@@H+]2CCC[C@@](C)(F)C2)c(O)c1 ZINC000877557353 590357689 /nfs/dbraw/zinc/35/76/89/590357689.db2.gz KYJDTVZRPZXTNC-CQSZACIVSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]CCCC(C)(F)F ZINC000877558190 590358558 /nfs/dbraw/zinc/35/85/58/590358558.db2.gz ZSJPFWDISTULTI-UHFFFAOYSA-N 1 0 243.297 3.226 20 10 BGCDRO Cc1csc(C[NH2+]Cc2ccc(C)cc2O)c1 ZINC000877564930 590361203 /nfs/dbraw/zinc/36/12/03/590361203.db2.gz PTBQAKDBQQDDKC-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1csc(C[NH2+]Cc2c(C)cccc2O)c1 ZINC000877565183 590361270 /nfs/dbraw/zinc/36/12/70/590361270.db2.gz UVPSFJMEIISPFW-UHFFFAOYSA-N 1 0 247.363 3.360 20 10 BGCDRO Cc1ccc(C[NH2+]C2(C3(C)CC3)CC2)c(O)c1 ZINC000877572317 590362856 /nfs/dbraw/zinc/36/28/56/590362856.db2.gz PGBBWZIZYNQCAU-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+][C@@]2(C)CC=CCC2)c(O)c1 ZINC000877585906 590368312 /nfs/dbraw/zinc/36/83/12/590368312.db2.gz QEQUQMDAPQZYIX-HNNXBMFYSA-N 1 0 231.339 3.289 20 10 BGCDRO Cc1ccc(C[NH2+][C@]2(C)CC=CCC2)c(O)c1 ZINC000877585907 590368197 /nfs/dbraw/zinc/36/81/97/590368197.db2.gz QEQUQMDAPQZYIX-OAHLLOKOSA-N 1 0 231.339 3.289 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)c(O)c1 ZINC000877589773 590368966 /nfs/dbraw/zinc/36/89/66/590368966.db2.gz RINPYPJZQLIZPT-CHWSQXEVSA-N 1 0 237.318 3.071 20 10 BGCDRO Cc1ccc(C[NH2+]C2(C3CCC3)CC2)c(O)c1 ZINC000877612042 590372670 /nfs/dbraw/zinc/37/26/70/590372670.db2.gz BLUZWQADHYWHOT-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)C)c(O)c1 ZINC000877614650 590373256 /nfs/dbraw/zinc/37/32/56/590373256.db2.gz KPXSRHXKZUTVQX-LLVKDONJSA-N 1 0 221.344 3.225 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]C1CC2(CCC2)C1 ZINC000877615420 590375080 /nfs/dbraw/zinc/37/50/80/590375080.db2.gz RAAHKSXWLMRWPQ-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+]C2CC3(CCC3)C2)c(O)c1 ZINC000877615957 590375108 /nfs/dbraw/zinc/37/51/08/590375108.db2.gz ZALMLAXHHZEIMP-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000877620489 590375597 /nfs/dbraw/zinc/37/55/97/590375597.db2.gz IITLQBRUWSIVHZ-JSGCOSHPSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)c(O)c1 ZINC000877621906 590375767 /nfs/dbraw/zinc/37/57/67/590375767.db2.gz YDSVQBQPNIYDSE-JSGCOSHPSA-N 1 0 231.339 3.075 20 10 BGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1cscn1 ZINC000877624262 583339730 /nfs/dbraw/zinc/33/97/30/583339730.db2.gz COSJIELJEFYEAF-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1cscn1 ZINC000877624263 583339466 /nfs/dbraw/zinc/33/94/66/583339466.db2.gz COSJIELJEFYEAF-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cscn2)c(O)c1 ZINC000877624932 590377038 /nfs/dbraw/zinc/37/70/38/590377038.db2.gz ISMGIBNNEVIVTK-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(C[NH2+][C@H](C)c2cscn2)c(O)c1 ZINC000877624933 590376997 /nfs/dbraw/zinc/37/69/97/590376997.db2.gz ISMGIBNNEVIVTK-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(C[NH2+]CCCc2ccco2)c(O)c1 ZINC000877637363 590381823 /nfs/dbraw/zinc/38/18/23/590381823.db2.gz SJZKIVOSJPRJCH-UHFFFAOYSA-N 1 0 245.322 3.016 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]CCCc1ccco1 ZINC000877637430 590382005 /nfs/dbraw/zinc/38/20/05/590382005.db2.gz VBAWJNDVSHDXMF-UHFFFAOYSA-N 1 0 245.322 3.016 20 10 BGCDRO Cc1ccc(C[NH2+]C(C)(C2CC2)C2CC2)c(O)c1 ZINC000877637857 590381880 /nfs/dbraw/zinc/38/18/80/590381880.db2.gz NKTPHTCJXFAOBM-UHFFFAOYSA-N 1 0 245.366 3.369 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000877652965 590384937 /nfs/dbraw/zinc/38/49/37/590384937.db2.gz RXNBIZVJFBMYEZ-AWEZNQCLSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000877652966 583343045 /nfs/dbraw/zinc/34/30/45/583343045.db2.gz RXNBIZVJFBMYEZ-CQSZACIVSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H](C)c2ccns2)c(O)c1 ZINC000877659211 590385866 /nfs/dbraw/zinc/38/58/66/590385866.db2.gz LURBKVJPYANEIU-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(C[NH2+][C@H](C)c2ccns2)c(O)c1 ZINC000877659212 590386413 /nfs/dbraw/zinc/38/64/13/590386413.db2.gz LURBKVJPYANEIU-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cc(Cl)cc(C[NH2+]CC(C)(C)F)c1O ZINC000877663066 590387888 /nfs/dbraw/zinc/38/78/88/590387888.db2.gz FEZZLGYGKSTPQI-UHFFFAOYSA-N 1 0 245.725 3.192 20 10 BGCDRO CC(C)(F)C[NH2+]Cc1ccc2ccccc2c1O ZINC000877663323 590387540 /nfs/dbraw/zinc/38/75/40/590387540.db2.gz PAOWGUDYHJTSTF-UHFFFAOYSA-N 1 0 247.313 3.383 20 10 BGCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)F)cc1Cl ZINC000877663754 590388843 /nfs/dbraw/zinc/38/88/43/590388843.db2.gz YQDPZNOOPXRWBY-UHFFFAOYSA-N 1 0 245.725 3.192 20 10 BGCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCC12CC2 ZINC000877663996 590388256 /nfs/dbraw/zinc/38/82/56/590388256.db2.gz JNGZVEHHACMKFK-AWEZNQCLSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCC12CC2 ZINC000877663997 590388184 /nfs/dbraw/zinc/38/81/84/590388184.db2.gz JNGZVEHHACMKFK-CQSZACIVSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+][C@H]2CCCC23CC3)c(O)c1 ZINC000877664918 590388478 /nfs/dbraw/zinc/38/84/78/590388478.db2.gz YBOJYRHESXRJPH-AWEZNQCLSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H]2CCCC23CC3)c(O)c1 ZINC000877664919 590388834 /nfs/dbraw/zinc/38/88/34/590388834.db2.gz YBOJYRHESXRJPH-CQSZACIVSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2F)c1O ZINC000877682514 590391235 /nfs/dbraw/zinc/39/12/35/590391235.db2.gz MWFSWWAYJOZEOZ-QWHCGFSZSA-N 1 0 237.318 3.071 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2F)c(O)c1 ZINC000877682625 590391398 /nfs/dbraw/zinc/39/13/98/590391398.db2.gz RINPYPJZQLIZPT-QWHCGFSZSA-N 1 0 237.318 3.071 20 10 BGCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000877682978 590391202 /nfs/dbraw/zinc/39/12/02/590391202.db2.gz WGPVACRWJVHZER-QWHCGFSZSA-N 1 0 237.318 3.071 20 10 BGCDRO Cc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)c(O)c1 ZINC000877686727 590392274 /nfs/dbraw/zinc/39/22/74/590392274.db2.gz VMQGELBLVYMYJW-UKRRQHHQSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)c(O)c1 ZINC000877686728 590391638 /nfs/dbraw/zinc/39/16/38/590391638.db2.gz VMQGELBLVYMYJW-ZFWWWQNUSA-N 1 0 231.339 3.123 20 10 BGCDRO Cc1cccc(C[NH+]2CCC(C)(F)CC2)c1O ZINC000877700400 590394956 /nfs/dbraw/zinc/39/49/56/590394956.db2.gz ONGCYXIOSREMIO-UHFFFAOYSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1cccc(O)c1C[NH+]1CCC(C)(F)CC1 ZINC000877700504 590394850 /nfs/dbraw/zinc/39/48/50/590394850.db2.gz QLCSGZAFRCMFFD-UHFFFAOYSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1ccc(O)c(C[NH+]2CCC(C)(F)CC2)c1 ZINC000877700521 590395221 /nfs/dbraw/zinc/39/52/21/590395221.db2.gz QOWUSDOAADDYNN-UHFFFAOYSA-N 1 0 237.318 3.025 20 10 BGCDRO Cc1ccc(C[NH+]2CCC(C)(F)CC2)c(O)c1 ZINC000877700676 590394447 /nfs/dbraw/zinc/39/44/47/590394447.db2.gz SSHUKIHZVLCRDF-UHFFFAOYSA-N 1 0 237.318 3.025 20 10 BGCDRO CC1(C[N@@H+]2Cc3cccc(O)c3C2)CCCC1 ZINC000877702552 590395883 /nfs/dbraw/zinc/39/58/83/590395883.db2.gz AXXDOLMVPWTOBZ-UHFFFAOYSA-N 1 0 231.339 3.288 20 10 BGCDRO CC(C)(C)CC[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702565 590396793 /nfs/dbraw/zinc/39/67/93/590396793.db2.gz BSYYHNQFXJSCIN-UHFFFAOYSA-N 1 0 219.328 3.144 20 10 BGCDRO Oc1cccc2c1C[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000877702570 590396613 /nfs/dbraw/zinc/39/66/13/590396613.db2.gz BWLXXWZRVKGPAD-GFCCVEGCSA-N 1 0 229.323 3.064 20 10 BGCDRO Oc1cccc2c1C[N@H+](C[C@H]1CC=CCC1)C2 ZINC000877702571 590396630 /nfs/dbraw/zinc/39/66/30/590396630.db2.gz BWLXXWZRVKGPAD-LBPRGKRZSA-N 1 0 229.323 3.064 20 10 BGCDRO Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)cs1 ZINC000877702595 590395752 /nfs/dbraw/zinc/39/57/52/590395752.db2.gz CVTMNJWJGZPRDT-UHFFFAOYSA-N 1 0 245.347 3.278 20 10 BGCDRO Oc1cccc2c1C[N@H+](CC1CCCCC1)C2 ZINC000877702605 590395801 /nfs/dbraw/zinc/39/58/01/590395801.db2.gz DGUMACMYVXOROE-UHFFFAOYSA-N 1 0 231.339 3.288 20 10 BGCDRO CCc1ccc(CN2Cc3cccc(O)c3C2)o1 ZINC000877702762 590396757 /nfs/dbraw/zinc/39/67/57/590396757.db2.gz GVBYJZUZOZICDN-UHFFFAOYSA-N 1 0 243.306 3.063 20 10 BGCDRO Oc1cccc2c1C[N@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC000877702906 590396400 /nfs/dbraw/zinc/39/64/00/590396400.db2.gz JKOSFTVSRUNGIG-MBNYWOFBSA-N 1 0 243.350 3.144 20 10 BGCDRO CC(C)C1(C[N@@H+]2Cc3cccc(O)c3C2)CC1 ZINC000877702959 590396317 /nfs/dbraw/zinc/39/63/17/590396317.db2.gz MGBIITULZBEKIO-UHFFFAOYSA-N 1 0 231.339 3.144 20 10 BGCDRO CCC[C@@H](C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702986 590396890 /nfs/dbraw/zinc/39/68/90/590396890.db2.gz NFKLXHMAMFPDHF-LLVKDONJSA-N 1 0 219.328 3.144 20 10 BGCDRO CCC[C@H](C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702987 590396458 /nfs/dbraw/zinc/39/64/58/590396458.db2.gz NFKLXHMAMFPDHF-NSHDSACASA-N 1 0 219.328 3.144 20 10 BGCDRO Cc1sccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703120 590396674 /nfs/dbraw/zinc/39/66/74/590396674.db2.gz SBZLOAZZPVVMKV-UHFFFAOYSA-N 1 0 245.347 3.278 20 10 BGCDRO CC(C)CCC[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703130 590395923 /nfs/dbraw/zinc/39/59/23/590395923.db2.gz SIZCIONKKVHAAZ-UHFFFAOYSA-N 1 0 219.328 3.144 20 10 BGCDRO Cc1cc(C[N@@H+]2Cc3cccc(O)c3C2)c(C)o1 ZINC000877703235 590396095 /nfs/dbraw/zinc/39/60/95/590396095.db2.gz XPFKIWZXNZBEKR-UHFFFAOYSA-N 1 0 243.306 3.118 20 10 BGCDRO Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)s1 ZINC000877703402 590396386 /nfs/dbraw/zinc/39/63/86/590396386.db2.gz HKOBMPGTTWCFCH-UHFFFAOYSA-N 1 0 245.347 3.278 20 10 BGCDRO Cc1ccsc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703410 590396180 /nfs/dbraw/zinc/39/61/80/590396180.db2.gz HUGVNCVZESFOJN-UHFFFAOYSA-N 1 0 245.347 3.278 20 10 BGCDRO Cc1cccc(C[N@@H+]2Cc3cccc(O)c3C2)c1 ZINC000877703432 590396469 /nfs/dbraw/zinc/39/64/69/590396469.db2.gz JCBRHPICVGHOJD-UHFFFAOYSA-N 1 0 239.318 3.216 20 10 BGCDRO Cc1ccc(C[N@@H+]2Cc3cccc(O)c3C2)cc1 ZINC000877703697 590397033 /nfs/dbraw/zinc/39/70/33/590397033.db2.gz QAVAPPKDISKEQZ-UHFFFAOYSA-N 1 0 239.318 3.216 20 10 BGCDRO Cc1ccccc1C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877703997 590397135 /nfs/dbraw/zinc/39/71/35/590397135.db2.gz VJLVOOJAHYURNP-UHFFFAOYSA-N 1 0 239.318 3.216 20 10 BGCDRO Cc1ccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(O)c1 ZINC000877718812 590399454 /nfs/dbraw/zinc/39/94/54/590399454.db2.gz UOZBGIAWSNHHPM-OKILXGFUSA-N 1 0 243.350 3.099 20 10 BGCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000877718827 590399363 /nfs/dbraw/zinc/39/93/63/590399363.db2.gz VGGUPTCMNQIADG-OKILXGFUSA-N 1 0 243.350 3.099 20 10 BGCDRO Cc1cccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c1O ZINC000877719263 590401250 /nfs/dbraw/zinc/40/12/50/590401250.db2.gz SALPHGQDMXUTJD-OKILXGFUSA-N 1 0 243.350 3.099 20 10 BGCDRO C[C@@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1O ZINC000877755584 583346003 /nfs/dbraw/zinc/34/60/03/583346003.db2.gz GWLQJRJNBWBLHP-XNWIYYODSA-N 1 0 241.281 3.087 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000877755594 590416951 /nfs/dbraw/zinc/41/69/51/590416951.db2.gz HPQBKABPAPGRND-FIXIBIHLSA-N 1 0 245.366 3.477 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000877755595 590416886 /nfs/dbraw/zinc/41/68/86/590416886.db2.gz HPQBKABPAPGRND-PKIAMQTDSA-N 1 0 245.366 3.477 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)[C@H]1CC1(F)F)c1ccccc1O ZINC000877755612 590418275 /nfs/dbraw/zinc/41/82/75/590418275.db2.gz IGDSVTNYCKTGMI-FXPVBKGRSA-N 1 0 241.281 3.087 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)c1ccccc1O ZINC000877755613 590417949 /nfs/dbraw/zinc/41/79/49/590417949.db2.gz IGDSVTNYCKTGMI-KKZNHRDASA-N 1 0 241.281 3.087 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccccc1O ZINC000877755614 590417932 /nfs/dbraw/zinc/41/79/32/590417932.db2.gz IGDSVTNYCKTGMI-WCABBAIRSA-N 1 0 241.281 3.087 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccccc1O ZINC000877755615 583346116 /nfs/dbraw/zinc/34/61/16/583346116.db2.gz IGDSVTNYCKTGMI-YWVKMMECSA-N 1 0 241.281 3.087 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCC12CCC2)c1ccccc1O ZINC000877755654 590417832 /nfs/dbraw/zinc/41/78/32/590417832.db2.gz KEFUXFORVKGDLK-BXUZGUMPSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCC12CCC2)c1ccccc1O ZINC000877755655 590417887 /nfs/dbraw/zinc/41/78/87/590417887.db2.gz KEFUXFORVKGDLK-RISCZKNCSA-N 1 0 231.339 3.376 20 10 BGCDRO CC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877755656 590417682 /nfs/dbraw/zinc/41/76/82/590417682.db2.gz KFPQPJNNKMQRJH-AGIUHOORSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2O)CCO1 ZINC000877755657 590417537 /nfs/dbraw/zinc/41/75/37/590417537.db2.gz KFPQPJNNKMQRJH-UPJWGTAASA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000877755674 590417531 /nfs/dbraw/zinc/41/75/31/590417531.db2.gz LGRARJQNGGQXHD-MDZLAQPJSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000877755675 590418253 /nfs/dbraw/zinc/41/82/53/590418253.db2.gz LGRARJQNGGQXHD-NQBHXWOUSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000877755676 590418217 /nfs/dbraw/zinc/41/82/17/590418217.db2.gz LGRARJQNGGQXHD-NTZNESFSSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000877755677 583345362 /nfs/dbraw/zinc/34/53/62/583345362.db2.gz LGRARJQNGGQXHD-WZRBSPASSA-N 1 0 219.328 3.231 20 10 BGCDRO CO[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000877755898 590418286 /nfs/dbraw/zinc/41/82/86/590418286.db2.gz SBVJUFSDWYBKGP-AGIUHOORSA-N 1 0 249.354 3.000 20 10 BGCDRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000877755899 590417762 /nfs/dbraw/zinc/41/77/62/590417762.db2.gz SBVJUFSDWYBKGP-FRRDWIJNSA-N 1 0 249.354 3.000 20 10 BGCDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000877755900 590418068 /nfs/dbraw/zinc/41/80/68/590418068.db2.gz SBVJUFSDWYBKGP-JHJVBQTASA-N 1 0 249.354 3.000 20 10 BGCDRO CO[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000877755901 590417711 /nfs/dbraw/zinc/41/77/11/590417711.db2.gz SBVJUFSDWYBKGP-UPJWGTAASA-N 1 0 249.354 3.000 20 10 BGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000877755987 590418283 /nfs/dbraw/zinc/41/82/83/590418283.db2.gz WYKJAAPIUHOSJY-BZPMIXESSA-N 1 0 233.355 3.477 20 10 BGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000877755988 590417803 /nfs/dbraw/zinc/41/78/03/590417803.db2.gz WYKJAAPIUHOSJY-DYEKYZERSA-N 1 0 233.355 3.477 20 10 BGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000877755989 590418288 /nfs/dbraw/zinc/41/82/88/590418288.db2.gz WYKJAAPIUHOSJY-MBNYWOFBSA-N 1 0 233.355 3.477 20 10 BGCDRO CC(C)[C@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1O ZINC000877755990 590417969 /nfs/dbraw/zinc/41/79/69/590417969.db2.gz WYKJAAPIUHOSJY-YRGRVCCFSA-N 1 0 233.355 3.477 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCCO1)c1ccccc1O ZINC000877756001 590417474 /nfs/dbraw/zinc/41/74/74/590417474.db2.gz XYQZTGLPPWVNRC-JMSVASOKSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCCCO1)c1ccccc1O ZINC000877756002 590417944 /nfs/dbraw/zinc/41/79/44/590417944.db2.gz XYQZTGLPPWVNRC-LALPHHSUSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccccc1O ZINC000877756003 590417889 /nfs/dbraw/zinc/41/78/89/590417889.db2.gz XYQZTGLPPWVNRC-TYNCELHUSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccccc1O ZINC000877756004 590417828 /nfs/dbraw/zinc/41/78/28/590417828.db2.gz XYQZTGLPPWVNRC-XUJVJEKNSA-N 1 0 249.354 3.000 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1O ZINC000877756031 590418200 /nfs/dbraw/zinc/41/82/00/590418200.db2.gz ZKKUZFGLKATMFZ-DDTOSNHZSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1O ZINC000877756032 590417817 /nfs/dbraw/zinc/41/78/17/590417817.db2.gz ZKKUZFGLKATMFZ-HONMWMINSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1O ZINC000877756033 590417990 /nfs/dbraw/zinc/41/79/90/590417990.db2.gz ZKKUZFGLKATMFZ-LERXQTSPSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1O ZINC000877756034 590417769 /nfs/dbraw/zinc/41/77/69/590417769.db2.gz ZKKUZFGLKATMFZ-SWHYSGLUSA-N 1 0 231.339 3.231 20 10 BGCDRO CC[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877756546 590417489 /nfs/dbraw/zinc/41/74/89/590417489.db2.gz QRIMWYLEWQARFK-GRYCIOLGSA-N 1 0 221.344 3.477 20 10 BGCDRO CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000877756547 590417495 /nfs/dbraw/zinc/41/74/95/590417495.db2.gz QRIMWYLEWQARFK-IJLUTSLNSA-N 1 0 221.344 3.477 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C)C1)c1ccccc1O ZINC000877756548 590418221 /nfs/dbraw/zinc/41/82/21/590418221.db2.gz QVLNQZFYYYBJAB-QJPTWQEYSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CC[C@H](C)C1)c1ccccc1O ZINC000877756549 590417454 /nfs/dbraw/zinc/41/74/54/590417454.db2.gz QVLNQZFYYYBJAB-TUAOUCFPSA-N 1 0 219.328 3.231 20 10 BGCDRO CCc1ccc(C[NH2+][C@H](C)c2ccccc2O)o1 ZINC000877756554 590417707 /nfs/dbraw/zinc/41/77/07/590417707.db2.gz RLLPMAGSJIZRSY-LLVKDONJSA-N 1 0 245.322 3.398 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccccc1O ZINC000877756580 590418232 /nfs/dbraw/zinc/41/82/32/590418232.db2.gz VCUGTYAYVXFNST-NQBHXWOUSA-N 1 0 219.328 3.231 20 10 BGCDRO C[C@@H]([NH2+][C@H]1CCC[C@H]1C)c1ccccc1O ZINC000877756581 590417608 /nfs/dbraw/zinc/41/76/08/590417608.db2.gz VCUGTYAYVXFNST-WZRBSPASSA-N 1 0 219.328 3.231 20 10 BGCDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2O)c(C)o1 ZINC000877756615 590418237 /nfs/dbraw/zinc/41/82/37/590418237.db2.gz YDGHIZQKCNCSPT-LLVKDONJSA-N 1 0 245.322 3.453 20 10 BGCDRO C[C@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1O ZINC000877757109 590417875 /nfs/dbraw/zinc/41/78/75/590417875.db2.gz GWLQJRJNBWBLHP-IDKOKCKLSA-N 1 0 241.281 3.087 20 10 BGCDRO CCc1ccc(C[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000877757343 590417983 /nfs/dbraw/zinc/41/79/83/590417983.db2.gz RLLPMAGSJIZRSY-NSHDSACASA-N 1 0 245.322 3.398 20 10 BGCDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2O)c(C)o1 ZINC000877757406 590417583 /nfs/dbraw/zinc/41/75/83/590417583.db2.gz YDGHIZQKCNCSPT-NSHDSACASA-N 1 0 245.322 3.453 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1)c1ccccc1O ZINC000877758061 590417567 /nfs/dbraw/zinc/41/75/67/590417567.db2.gz HPQBKABPAPGRND-GVARAGBVSA-N 1 0 245.366 3.477 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1C[C@H]1C1CC1 ZINC000877758062 590418072 /nfs/dbraw/zinc/41/80/72/590418072.db2.gz HPQBKABPAPGRND-JLUCKKNBSA-N 1 0 245.366 3.477 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccccc1O ZINC000877758079 590418116 /nfs/dbraw/zinc/41/81/16/590418116.db2.gz IGDSVTNYCKTGMI-ATZCPNFKSA-N 1 0 241.281 3.087 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@H]1CC1(F)F ZINC000877758080 590417556 /nfs/dbraw/zinc/41/75/56/590417556.db2.gz IGDSVTNYCKTGMI-IQJOONFLSA-N 1 0 241.281 3.087 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)[C@@H]1CC1(F)F ZINC000877758081 590417917 /nfs/dbraw/zinc/41/79/17/590417917.db2.gz IGDSVTNYCKTGMI-NGZCFLSTSA-N 1 0 241.281 3.087 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccccc1O ZINC000877758082 590417431 /nfs/dbraw/zinc/41/74/31/590417431.db2.gz IGDSVTNYCKTGMI-QXEWZRGKSA-N 1 0 241.281 3.087 20 10 BGCDRO C[C@H]([NH2+][C@H]1CCC12CCC2)c1ccccc1O ZINC000877758130 590418639 /nfs/dbraw/zinc/41/86/39/590418639.db2.gz KEFUXFORVKGDLK-FZMZJTMJSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CCC12CCC2)c1ccccc1O ZINC000877758131 590418398 /nfs/dbraw/zinc/41/83/98/590418398.db2.gz KEFUXFORVKGDLK-SMDDNHRTSA-N 1 0 231.339 3.376 20 10 BGCDRO CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000877758132 590418580 /nfs/dbraw/zinc/41/85/80/590418580.db2.gz KFPQPJNNKMQRJH-AVGNSLFASA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2O)CCO1 ZINC000877758133 590418630 /nfs/dbraw/zinc/41/86/30/590418630.db2.gz KFPQPJNNKMQRJH-XQQFMLRXSA-N 1 0 249.354 3.000 20 10 BGCDRO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000877758158 590418633 /nfs/dbraw/zinc/41/86/33/590418633.db2.gz LGRARJQNGGQXHD-DMDPSCGWSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000877758159 590418592 /nfs/dbraw/zinc/41/85/92/590418592.db2.gz LGRARJQNGGQXHD-GMXVVIOVSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000877758160 590418417 /nfs/dbraw/zinc/41/84/17/590418417.db2.gz LGRARJQNGGQXHD-GVXVVHGQSA-N 1 0 219.328 3.231 20 10 BGCDRO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000877758161 590418565 /nfs/dbraw/zinc/41/85/65/590418565.db2.gz LGRARJQNGGQXHD-LOWVWBTDSA-N 1 0 219.328 3.231 20 10 BGCDRO CO[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000877758297 590418516 /nfs/dbraw/zinc/41/85/16/590418516.db2.gz SBVJUFSDWYBKGP-AVGNSLFASA-N 1 0 249.354 3.000 20 10 BGCDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000877758298 590418610 /nfs/dbraw/zinc/41/86/10/590418610.db2.gz SBVJUFSDWYBKGP-RWMBFGLXSA-N 1 0 249.354 3.000 20 10 BGCDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000877758299 590418371 /nfs/dbraw/zinc/41/83/71/590418371.db2.gz SBVJUFSDWYBKGP-XQQFMLRXSA-N 1 0 249.354 3.000 20 10 BGCDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000877758300 590418408 /nfs/dbraw/zinc/41/84/08/590418408.db2.gz SBVJUFSDWYBKGP-YNEHKIRRSA-N 1 0 249.354 3.000 20 10 BGCDRO CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000877758377 590418621 /nfs/dbraw/zinc/41/86/21/590418621.db2.gz WYKJAAPIUHOSJY-OBJOEFQTSA-N 1 0 233.355 3.477 20 10 BGCDRO CC(C)[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000877758378 590418424 /nfs/dbraw/zinc/41/84/24/590418424.db2.gz WYKJAAPIUHOSJY-OUCADQQQSA-N 1 0 233.355 3.477 20 10 BGCDRO CC(C)[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000877758379 590418531 /nfs/dbraw/zinc/41/85/31/590418531.db2.gz WYKJAAPIUHOSJY-SCRDCRAPSA-N 1 0 233.355 3.477 20 10 BGCDRO CC(C)[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000877758380 590418647 /nfs/dbraw/zinc/41/86/47/590418647.db2.gz WYKJAAPIUHOSJY-SGMGOOAPSA-N 1 0 233.355 3.477 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1O ZINC000877758416 590418392 /nfs/dbraw/zinc/41/83/92/590418392.db2.gz ZKKUZFGLKATMFZ-BPNCWPANSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1O ZINC000877758417 590418585 /nfs/dbraw/zinc/41/85/85/590418585.db2.gz ZKKUZFGLKATMFZ-GDLCADMTSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1O ZINC000877758418 590418645 /nfs/dbraw/zinc/41/86/45/590418645.db2.gz ZKKUZFGLKATMFZ-LEWSCRJBSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1O ZINC000877758419 590418504 /nfs/dbraw/zinc/41/85/04/590418504.db2.gz ZKKUZFGLKATMFZ-ZLKJLUDKSA-N 1 0 231.339 3.231 20 10 BGCDRO C[N@H+](CCCC1CC1)Cc1ccccc1O ZINC000878241533 590528024 /nfs/dbraw/zinc/52/80/24/590528024.db2.gz HKCCCHJVVCSNBC-UHFFFAOYSA-N 1 0 219.328 3.014 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2C=CCC2)cc1C ZINC000883239231 591584555 /nfs/dbraw/zinc/58/45/55/591584555.db2.gz ZUBDMLRQXGTJGA-CYBMUJFWSA-N 1 0 231.339 3.065 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C=CCC2)cc1C ZINC000883239232 591584928 /nfs/dbraw/zinc/58/49/28/591584928.db2.gz ZUBDMLRQXGTJGA-ZDUSSCGKSA-N 1 0 231.339 3.065 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]C[C@H]2C=CCC2)c1O ZINC000883245705 591587233 /nfs/dbraw/zinc/58/72/33/591587233.db2.gz QAUHZIGUQLHJQC-NEPJUHHUSA-N 1 0 247.338 3.018 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]C[C@@H]2C=CCC2)c1O ZINC000883245706 591586949 /nfs/dbraw/zinc/58/69/49/591586949.db2.gz QAUHZIGUQLHJQC-NWDGAFQWSA-N 1 0 247.338 3.018 20 10 BGCDRO COc1cccc([C@H](C)[NH2+]C[C@H]2C=CCC2)c1O ZINC000883245707 591587385 /nfs/dbraw/zinc/58/73/85/591587385.db2.gz QAUHZIGUQLHJQC-RYUDHWBXSA-N 1 0 247.338 3.018 20 10 BGCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H]2C=CCC2)c1O ZINC000883245708 591587242 /nfs/dbraw/zinc/58/72/42/591587242.db2.gz QAUHZIGUQLHJQC-VXGBXAGGSA-N 1 0 247.338 3.018 20 10 BGCDRO C=C/C=C/CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000883260747 591598575 /nfs/dbraw/zinc/59/85/75/591598575.db2.gz GFGHWSRVWCMGQK-AATRIKPKSA-N 1 0 231.339 3.231 20 10 BGCDRO C=C/C=C\CC[NH2+]Cc1cc(C)c(C)cc1O ZINC000883260748 591598789 /nfs/dbraw/zinc/59/87/89/591598789.db2.gz GFGHWSRVWCMGQK-WAYWQWQTSA-N 1 0 231.339 3.231 20 10 BGCDRO C=C/C=C/CC[NH2+]Cc1ccc(OCC)cc1O ZINC000883261081 591598260 /nfs/dbraw/zinc/59/82/60/591598260.db2.gz QAQPUVZXXGZJEW-AATRIKPKSA-N 1 0 247.338 3.013 20 10 BGCDRO C=C/C=C\CC[NH2+]Cc1ccc(OCC)cc1O ZINC000883261082 591598970 /nfs/dbraw/zinc/59/89/70/591598970.db2.gz QAQPUVZXXGZJEW-WAYWQWQTSA-N 1 0 247.338 3.013 20 10 BGCDRO C=C/C=C/CC[NH2+]Cc1cc(OCC)ccc1O ZINC000883261304 591598949 /nfs/dbraw/zinc/59/89/49/591598949.db2.gz XTRCEPRPOTURGP-AATRIKPKSA-N 1 0 247.338 3.013 20 10 BGCDRO C=C/C=C\CC[NH2+]Cc1cc(OCC)ccc1O ZINC000883261305 591598599 /nfs/dbraw/zinc/59/85/99/591598599.db2.gz XTRCEPRPOTURGP-WAYWQWQTSA-N 1 0 247.338 3.013 20 10 BGCDRO CCc1ccc(NCc2cc(C)ccc2O)nc1 ZINC000883385085 591639634 /nfs/dbraw/zinc/63/96/34/591639634.db2.gz DXRCBVYQIYOMMM-UHFFFAOYSA-N 1 0 242.322 3.270 20 10 BGCDRO Cc1coc(C[NH2+][C@H](C)c2ccccc2O)c1 ZINC000886185718 592171426 /nfs/dbraw/zinc/17/14/26/592171426.db2.gz FLMJWKZNTFXQAO-LLVKDONJSA-N 1 0 231.295 3.144 20 10 BGCDRO Cc1coc(C[NH2+][C@@H](C)c2ccccc2O)c1 ZINC000886185719 592172052 /nfs/dbraw/zinc/17/20/52/592172052.db2.gz FLMJWKZNTFXQAO-NSHDSACASA-N 1 0 231.295 3.144 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+]C1(C3CC3)CCC1)CC2 ZINC000886824949 592349020 /nfs/dbraw/zinc/34/90/20/592349020.db2.gz JTBYNXAMWHLQSF-CYBMUJFWSA-N 1 0 243.350 3.302 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]C1(C3CC3)CCC1)CC2 ZINC000886824950 592349359 /nfs/dbraw/zinc/34/93/59/592349359.db2.gz JTBYNXAMWHLQSF-ZDUSSCGKSA-N 1 0 243.350 3.302 20 10 BGCDRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1ccccc1O ZINC000886825463 585180755 /nfs/dbraw/zinc/18/07/55/585180755.db2.gz UPBNAKKQKWTSRT-LLVKDONJSA-N 1 0 231.339 3.376 20 10 BGCDRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1ccccc1O ZINC000886825464 585180671 /nfs/dbraw/zinc/18/06/71/585180671.db2.gz UPBNAKKQKWTSRT-NSHDSACASA-N 1 0 231.339 3.376 20 10 BGCDRO CCCSC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000892791877 582983771 /nfs/dbraw/zinc/98/37/71/582983771.db2.gz QNEDFWOQJGCDAI-LLVKDONJSA-N 1 0 239.384 3.014 20 10 BGCDRO CCCSC[C@H](C)[NH2+]Cc1ccccc1O ZINC000892791878 582983681 /nfs/dbraw/zinc/98/36/81/582983681.db2.gz QNEDFWOQJGCDAI-NSHDSACASA-N 1 0 239.384 3.014 20 10 BGCDRO COc1cc(C)cc(C[N@@H+]2CCCC2(C)C)c1O ZINC000893987585 583270582 /nfs/dbraw/zinc/27/05/82/583270582.db2.gz WFCRAUZREXYMKS-UHFFFAOYSA-N 1 0 249.354 3.084 20 10 BGCDRO COc1cc(C)cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c1O ZINC000894093394 583299655 /nfs/dbraw/zinc/29/96/55/583299655.db2.gz FPGKWIDPLGXIFN-RYUDHWBXSA-N 1 0 249.354 3.082 20 10 BGCDRO COc1cc(C)cc(C[N@H+]2[C@H](C)CC[C@@H]2C)c1O ZINC000894093395 583299419 /nfs/dbraw/zinc/29/94/19/583299419.db2.gz FPGKWIDPLGXIFN-TXEJJXNPSA-N 1 0 249.354 3.082 20 10 BGCDRO COc1cc(C)cc(C[NH+]2[C@H](C)CC[C@H]2C)c1O ZINC000894093396 583299426 /nfs/dbraw/zinc/29/94/26/583299426.db2.gz FPGKWIDPLGXIFN-VXGBXAGGSA-N 1 0 249.354 3.082 20 10 BGCDRO COc1cc(C)cc(C[NH2+]C2CCCCC2)c1O ZINC000894138047 583314841 /nfs/dbraw/zinc/31/48/41/583314841.db2.gz WIWZHVHOYVBCHV-UHFFFAOYSA-N 1 0 249.354 3.132 20 10 BGCDRO COc1cc(C)cc(C[NH2+]C2(C)CCCC2)c1O ZINC000894151904 583319323 /nfs/dbraw/zinc/31/93/23/583319323.db2.gz DZASJRSVROBMGQ-UHFFFAOYSA-N 1 0 249.354 3.132 20 10 BGCDRO CCC1([NH2+]Cc2cc(C)cc(OC)c2O)CCC1 ZINC000894323458 583422402 /nfs/dbraw/zinc/42/24/02/583422402.db2.gz MEZYJEZXDTXPJL-UHFFFAOYSA-N 1 0 249.354 3.132 20 10 BGCDRO COc1cc(C)cc(C[NH2+]CCC=C(C)C)c1O ZINC000894543180 583481521 /nfs/dbraw/zinc/48/15/21/583481521.db2.gz NWAAXLCGQMFAKD-UHFFFAOYSA-N 1 0 249.354 3.155 20 10 BGCDRO Cc1ccc(C[NH2+]C2CCC=CCC2)c(O)c1 ZINC000895895293 583739215 /nfs/dbraw/zinc/73/92/15/583739215.db2.gz RWIAXZJNRWZHEA-UHFFFAOYSA-N 1 0 231.339 3.289 20 10 BGCDRO Cc1cc(O)c(C[N@H+](C)CCCF)c(Cl)c1 ZINC000895895936 583743214 /nfs/dbraw/zinc/74/32/14/583743214.db2.gz ITJQSBNGOSNTNT-UHFFFAOYSA-N 1 0 245.725 3.145 20 10 BGCDRO Cc1cc(O)c(C[N@H+](C)CCCF)cc1Cl ZINC000895896690 583744730 /nfs/dbraw/zinc/74/47/30/583744730.db2.gz YZTKRTAGLJGFKT-UHFFFAOYSA-N 1 0 245.725 3.145 20 10 BGCDRO Cc1ccc(C[NH2+]C2(C3CC3)CCC2)c(O)c1 ZINC000895900659 583741552 /nfs/dbraw/zinc/74/15/52/583741552.db2.gz FEXGLGRYTNKHRV-UHFFFAOYSA-N 1 0 231.339 3.123 20 10 BGCDRO CC(C)(/C=C/Cl)[NH2+]Cc1cc(F)ccc1O ZINC000896746817 583830379 /nfs/dbraw/zinc/83/03/79/583830379.db2.gz HEJRUMMREIQYHG-AATRIKPKSA-N 1 0 243.709 3.152 20 10 BGCDRO CC(C)(/C=C\Cl)[NH2+]Cc1cc(F)ccc1O ZINC000896746818 583830276 /nfs/dbraw/zinc/83/02/76/583830276.db2.gz HEJRUMMREIQYHG-WAYWQWQTSA-N 1 0 243.709 3.152 20 10 BGCDRO Cc1cccc(C[NH2+]C(C)(C)/C=C/Cl)c1O ZINC000896747373 583830052 /nfs/dbraw/zinc/83/00/52/583830052.db2.gz KLQNJRQPNPJEDX-BQYQJAHWSA-N 1 0 239.746 3.321 20 10 BGCDRO Cc1cccc(C[NH2+]C(C)(C)/C=C\Cl)c1O ZINC000896747374 583830084 /nfs/dbraw/zinc/83/00/84/583830084.db2.gz KLQNJRQPNPJEDX-FPLPWBNLSA-N 1 0 239.746 3.321 20 10 BGCDRO Cc1ccc(C[NH2+]C(C)(C)/C=C\Cl)c(O)c1 ZINC000896747833 583830087 /nfs/dbraw/zinc/83/00/87/583830087.db2.gz PWXGNYCUHBAKKP-SREVYHEPSA-N 1 0 239.746 3.321 20 10 BGCDRO Cc1ccc(C[NH2+]C(C)(C)/C=C/Cl)c(O)c1 ZINC000896747836 583830298 /nfs/dbraw/zinc/83/02/98/583830298.db2.gz PWXGNYCUHBAKKP-VOTSOKGWSA-N 1 0 239.746 3.321 20 10 BGCDRO Cc1cccc(O)c1C[NH2+]CCC1CC=CC1 ZINC000896864721 583842697 /nfs/dbraw/zinc/84/26/97/583842697.db2.gz LTIFULXZCHMWBZ-UHFFFAOYSA-N 1 0 231.339 3.147 20 10 BGCDRO Cc1ccc(C[NH2+]CCC2CC=CC2)c(O)c1 ZINC000896864981 583842642 /nfs/dbraw/zinc/84/26/42/583842642.db2.gz QCAGEXRMGOXIGZ-UHFFFAOYSA-N 1 0 231.339 3.147 20 10 BGCDRO Oc1ccccc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000896946051 583862818 /nfs/dbraw/zinc/86/28/18/583862818.db2.gz DELBTEWPEIOFGF-UHFFFAOYSA-N 1 0 249.329 3.106 20 10 BGCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000897375306 636558522 /nfs/dbraw/zinc/55/85/22/636558522.db2.gz QECPRFRYSCIUIR-GDBMZVCRSA-N 1 0 244.382 3.093 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H](C)c2cncs2)c(O)c1 ZINC000897930220 584061362 /nfs/dbraw/zinc/06/13/62/584061362.db2.gz LATVOWHMQIHVLX-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(C[NH2+][C@H](C)c2cncs2)c(O)c1 ZINC000897930221 584061488 /nfs/dbraw/zinc/06/14/88/584061488.db2.gz LATVOWHMQIHVLX-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)c1cncs1 ZINC000897931071 584059059 /nfs/dbraw/zinc/05/90/59/584059059.db2.gz VURLQJUVSSWJPG-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cccc(O)c1C[NH2+][C@H](C)c1cncs1 ZINC000897931072 584059430 /nfs/dbraw/zinc/05/94/30/584059430.db2.gz VURLQJUVSSWJPG-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H](C)c2cncs2)c1O ZINC000897932433 636846979 /nfs/dbraw/zinc/84/69/79/636846979.db2.gz MQBUYUFKUKONHF-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1cccc(C[NH2+][C@H](C)c2cncs2)c1O ZINC000897932434 636847154 /nfs/dbraw/zinc/84/71/54/636847154.db2.gz MQBUYUFKUKONHF-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cncs2)c1 ZINC000897934129 636846617 /nfs/dbraw/zinc/84/66/17/636846617.db2.gz FENWTOGXQHOEOH-JTQLQIEISA-N 1 0 248.351 3.008 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2cncs2)c1 ZINC000897934131 636847461 /nfs/dbraw/zinc/84/74/61/636847461.db2.gz FENWTOGXQHOEOH-SNVBAGLBSA-N 1 0 248.351 3.008 20 10 BGCDRO CCCCC1([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000897935521 584062230 /nfs/dbraw/zinc/06/22/30/584062230.db2.gz CILRTXVTFXWILI-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO CCCCC1([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000897935944 584061838 /nfs/dbraw/zinc/06/18/38/584061838.db2.gz KEIMENULSIOZGC-UHFFFAOYSA-N 1 0 249.354 3.213 20 10 BGCDRO CCCCC1([NH2+]Cc2ccccc2O)CC1 ZINC000897936014 584061846 /nfs/dbraw/zinc/06/18/46/584061846.db2.gz LVYJQBHKXBRQKB-UHFFFAOYSA-N 1 0 219.328 3.205 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1 ZINC000897952342 584063437 /nfs/dbraw/zinc/06/34/37/584063437.db2.gz GHNWAXVGUWJGMZ-CWRNSKLLSA-N 1 0 244.382 3.031 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1 ZINC000897952343 584063326 /nfs/dbraw/zinc/06/33/26/584063326.db2.gz GHNWAXVGUWJGMZ-FVQBIDKESA-N 1 0 244.382 3.031 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1 ZINC000897952344 584063711 /nfs/dbraw/zinc/06/37/11/584063711.db2.gz GHNWAXVGUWJGMZ-NUEKZKHPSA-N 1 0 244.382 3.031 20 10 BGCDRO CN(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1 ZINC000897952345 584063302 /nfs/dbraw/zinc/06/33/02/584063302.db2.gz GHNWAXVGUWJGMZ-VNQPRFMTSA-N 1 0 244.382 3.031 20 10 BGCDRO Cc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C)c(O)c1 ZINC000898223449 584102054 /nfs/dbraw/zinc/10/20/54/584102054.db2.gz VVPCKPGIZYXALS-TZMCWYRMSA-N 1 0 231.339 3.145 20 10 BGCDRO Cc1cccc(C[NH2+][C@@H]2CC=CC[C@H]2C)c1O ZINC000898224441 584102729 /nfs/dbraw/zinc/10/27/29/584102729.db2.gz XMIMLMARZNSOCA-BXUZGUMPSA-N 1 0 231.339 3.145 20 10 BGCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC=CC[C@H]2C)c1 ZINC000898228059 584102666 /nfs/dbraw/zinc/10/26/66/584102666.db2.gz UHYWJFJKTKNHEW-TZMCWYRMSA-N 1 0 231.339 3.145 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C/C=C\Cl)cc1Cl ZINC000898428050 584132714 /nfs/dbraw/zinc/13/27/14/584132714.db2.gz GTBDRDVPYRCXDZ-IHWYPQMZSA-N 1 0 246.137 3.196 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C/C=C/Cl)cc1Cl ZINC000898428053 584133264 /nfs/dbraw/zinc/13/32/64/584133264.db2.gz GTBDRDVPYRCXDZ-NSCUHMNNSA-N 1 0 246.137 3.196 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C/C=C\Cl)c(Cl)c1 ZINC000898428472 584133040 /nfs/dbraw/zinc/13/30/40/584133040.db2.gz IAARTRKBKZITCZ-IHWYPQMZSA-N 1 0 246.137 3.196 20 10 BGCDRO Cc1cc(O)c(C[NH2+]C/C=C/Cl)c(Cl)c1 ZINC000898428473 584132835 /nfs/dbraw/zinc/13/28/35/584132835.db2.gz IAARTRKBKZITCZ-NSCUHMNNSA-N 1 0 246.137 3.196 20 10 BGCDRO Oc1ccccc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]2C1 ZINC000902786818 584671933 /nfs/dbraw/zinc/67/19/33/584671933.db2.gz SRFFZQHBTYIIFA-DABQJJPHSA-N 1 0 231.339 3.061 20 10 BGCDRO Oc1ccccc1C[NH2+]C1C[C@@H]2CCC[C@H]2C1 ZINC000902786819 584671911 /nfs/dbraw/zinc/67/19/11/584671911.db2.gz SRFFZQHBTYIIFA-RYUDHWBXSA-N 1 0 231.339 3.061 20 10 BGCDRO Oc1ccccc1C[NH2+]C1C[C@H]2CCC[C@@H]2C1 ZINC000902786820 584672128 /nfs/dbraw/zinc/67/21/28/584672128.db2.gz SRFFZQHBTYIIFA-VXGBXAGGSA-N 1 0 231.339 3.061 20 10 BGCDRO C[C@@H]([NH2+]CC(C)(C)C1CC1)c1ccccc1O ZINC000903243990 584738534 /nfs/dbraw/zinc/73/85/34/584738534.db2.gz LVIDTWYIDQZUFD-LLVKDONJSA-N 1 0 233.355 3.479 20 10 BGCDRO C[C@H]([NH2+]CC(C)(C)C1CC1)c1ccccc1O ZINC000903243991 584738450 /nfs/dbraw/zinc/73/84/50/584738450.db2.gz LVIDTWYIDQZUFD-NSHDSACASA-N 1 0 233.355 3.479 20 10 BGCDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903253224 584739074 /nfs/dbraw/zinc/73/90/74/584739074.db2.gz IIBSQDPALRYPHZ-QKGWFMCXSA-N 1 0 243.350 3.014 20 10 BGCDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903253225 584739229 /nfs/dbraw/zinc/73/92/29/584739229.db2.gz IIBSQDPALRYPHZ-RGCYKPLRSA-N 1 0 243.350 3.014 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1O ZINC000903255646 584739900 /nfs/dbraw/zinc/73/99/00/584739900.db2.gz YKTIPJVKHRFQSA-GPXIKIIXSA-N 1 0 231.339 3.087 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C)c1ccccc1O ZINC000903255647 584740099 /nfs/dbraw/zinc/74/00/99/584740099.db2.gz YKTIPJVKHRFQSA-NBUWXKEQSA-N 1 0 231.339 3.087 20 10 BGCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1cncs1 ZINC000903311339 584748269 /nfs/dbraw/zinc/74/82/69/584748269.db2.gz ODLAJAXGCOPKGS-NXEZZACHSA-N 1 0 248.351 3.261 20 10 BGCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1cncs1 ZINC000903311340 584748300 /nfs/dbraw/zinc/74/83/00/584748300.db2.gz ODLAJAXGCOPKGS-UWVGGRQHSA-N 1 0 248.351 3.261 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1cncs1 ZINC000903311341 584748025 /nfs/dbraw/zinc/74/80/25/584748025.db2.gz ODLAJAXGCOPKGS-VHSXEESVSA-N 1 0 248.351 3.261 20 10 BGCDRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccccc1O ZINC000903311342 584747950 /nfs/dbraw/zinc/74/79/50/584747950.db2.gz ODLAJAXGCOPKGS-ZJUUUORDSA-N 1 0 248.351 3.261 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@H]31)CC2 ZINC000903316454 584749764 /nfs/dbraw/zinc/74/97/64/584749764.db2.gz IVOJUNIFYOMOCK-AAVRWANBSA-N 1 0 243.350 3.158 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H]3CCC[C@H]13)CC2 ZINC000903316456 584749631 /nfs/dbraw/zinc/74/96/31/584749631.db2.gz IVOJUNIFYOMOCK-IGQOVBAYSA-N 1 0 243.350 3.158 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@@H]3CCC[C@@H]13)CC2 ZINC000903316457 584749417 /nfs/dbraw/zinc/74/94/17/584749417.db2.gz IVOJUNIFYOMOCK-REWJHTLYSA-N 1 0 243.350 3.158 20 10 BGCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CCC[C@@H]31)CC2 ZINC000903316458 584749570 /nfs/dbraw/zinc/74/95/70/584749570.db2.gz IVOJUNIFYOMOCK-XJFOESAGSA-N 1 0 243.350 3.158 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccccc1O ZINC000903317641 584750539 /nfs/dbraw/zinc/75/05/39/584750539.db2.gz MUPYEDBUYDUJKQ-AUZPSNTRSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1ccccc1O ZINC000903317642 584750500 /nfs/dbraw/zinc/75/05/00/584750500.db2.gz MUPYEDBUYDUJKQ-CDGCEXEKSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1ccccc1O ZINC000903317644 584750637 /nfs/dbraw/zinc/75/06/37/584750637.db2.gz MUPYEDBUYDUJKQ-OIMNJJJWSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1ccccc1O ZINC000903317646 584750588 /nfs/dbraw/zinc/75/05/88/584750588.db2.gz MUPYEDBUYDUJKQ-UZGDPCLZSA-N 1 0 231.339 3.231 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cc(F)ccc1O ZINC000903318923 584746093 /nfs/dbraw/zinc/74/60/93/584746093.db2.gz SNIJPBHZQLKBFE-BQSGVUBFSA-N 1 0 249.329 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1cc(F)ccc1O ZINC000903318924 584746069 /nfs/dbraw/zinc/74/60/69/584746069.db2.gz SNIJPBHZQLKBFE-HEQLZXTPSA-N 1 0 249.329 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1cc(F)ccc1O ZINC000903318925 584746012 /nfs/dbraw/zinc/74/60/12/584746012.db2.gz SNIJPBHZQLKBFE-JYYRZZBQSA-N 1 0 249.329 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1cc(F)ccc1O ZINC000903318926 584746038 /nfs/dbraw/zinc/74/60/38/584746038.db2.gz SNIJPBHZQLKBFE-UZWIWUQPSA-N 1 0 249.329 3.371 20 10 BGCDRO C[C@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1ccccc1O ZINC000903413736 584759733 /nfs/dbraw/zinc/75/97/33/584759733.db2.gz RDZVSDTXCAGMPY-MBNYWOFBSA-N 1 0 231.339 3.398 20 10 BGCDRO C[C@@H]([NH2+][C@@H]1CC=CC[C@H]1C)c1ccccc1O ZINC000903413737 584759862 /nfs/dbraw/zinc/75/98/62/584759862.db2.gz RDZVSDTXCAGMPY-YRGRVCCFSA-N 1 0 231.339 3.398 20 10 BGCDRO C[C@@H]1CC=CC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000903413903 584759918 /nfs/dbraw/zinc/75/99/18/584759918.db2.gz SVLZICGMKJJGCP-BNOWGMLFSA-N 1 0 243.350 3.324 20 10 BGCDRO C[C@@H]1CC=CC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000903413904 584759988 /nfs/dbraw/zinc/75/99/88/584759988.db2.gz SVLZICGMKJJGCP-MRVWCRGKSA-N 1 0 243.350 3.324 20 10 BGCDRO CCCC[NH2+]CCCSc1nccs1 ZINC000906529648 638194751 /nfs/dbraw/zinc/19/47/51/638194751.db2.gz QEJNPRKUBCXCOG-UHFFFAOYSA-N 1 0 230.402 3.015 20 10 BGCDRO Cc1cc(O)c(C[NH+]2C3CCC2CC3)cc1C ZINC000912786191 640202668 /nfs/dbraw/zinc/20/26/68/640202668.db2.gz BVNOAKGLQIKKCX-UHFFFAOYSA-N 1 0 231.339 3.136 20 10 BGCDRO Oc1cc2c(cc1C[NH+]1C3CCC1CC3)CCC2 ZINC000912786671 640203087 /nfs/dbraw/zinc/20/30/87/640203087.db2.gz OBDNGCPKYHEQJA-UHFFFAOYSA-N 1 0 243.350 3.008 20 10 BGCDRO CCCC[N@H+](C)Cc1c(O)ccc2ccncc21 ZINC000913064383 640288435 /nfs/dbraw/zinc/28/84/35/640288435.db2.gz QJUSNIJUUNYJOM-UHFFFAOYSA-N 1 0 244.338 3.172 20 10 BGCDRO CC(C)[N@H+](Cc1cc2c(cc1O)CCC2)C1CC1 ZINC000915202713 641808571 /nfs/dbraw/zinc/80/85/71/641808571.db2.gz MVDWHRRVDIWPHY-UHFFFAOYSA-N 1 0 245.366 3.254 20 10 BGCDRO CC(C)[C@@H](C)[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000915208023 641810329 /nfs/dbraw/zinc/81/03/29/641810329.db2.gz BKQOGOKQUDCYCX-GFCCVEGCSA-N 1 0 247.382 3.357 20 10 BGCDRO CC(C)[C@H](C)[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000915208025 641809495 /nfs/dbraw/zinc/80/94/95/641809495.db2.gz BKQOGOKQUDCYCX-LBPRGKRZSA-N 1 0 247.382 3.357 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)C(C)C)cc1C ZINC000915209302 641809837 /nfs/dbraw/zinc/80/98/37/641809837.db2.gz MSZCHFBUDNBIJU-CYBMUJFWSA-N 1 0 235.371 3.485 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)C(C)C)cc1C ZINC000915209305 641809682 /nfs/dbraw/zinc/80/96/82/641809682.db2.gz MSZCHFBUDNBIJU-ZDUSSCGKSA-N 1 0 235.371 3.485 20 10 BGCDRO CCC[N@H+](C)Cc1ccc(N(CC)CC)cc1 ZINC000915677510 641851258 /nfs/dbraw/zinc/85/12/58/641851258.db2.gz DWEWHKIFJKVDDY-UHFFFAOYSA-N 1 0 234.387 3.375 20 10 BGCDRO CN(C)c1ccc(C[N@H+](C)CC2CCCC2)cc1 ZINC000915677790 641851338 /nfs/dbraw/zinc/85/13/38/641851338.db2.gz AOESJPWUABRKAW-UHFFFAOYSA-N 1 0 246.398 3.375 20 10 BGCDRO COc1cc(C)cc(C[NH+]2CCCCCC2)c1O ZINC000915790216 641858085 /nfs/dbraw/zinc/85/80/85/641858085.db2.gz DRXICFJKYDGQIZ-UHFFFAOYSA-N 1 0 249.354 3.085 20 10 BGCDRO Cc1cc(O)c(C[NH+]2CCCC2)cc1C(C)C ZINC000915790349 641858994 /nfs/dbraw/zinc/85/89/94/641858994.db2.gz STQPDTCVWJRFMN-UHFFFAOYSA-N 1 0 233.355 3.420 20 10 BGCDRO Cc1cc(O)c(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1C ZINC000915791802 641859310 /nfs/dbraw/zinc/85/93/10/641859310.db2.gz IUUYBHNSCOZFQP-RYUDHWBXSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1C ZINC000915791803 641859653 /nfs/dbraw/zinc/85/96/53/641859653.db2.gz IUUYBHNSCOZFQP-TXEJJXNPSA-N 1 0 247.382 3.487 20 10 BGCDRO Cc1cc(O)c(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1C ZINC000915791804 641859865 /nfs/dbraw/zinc/85/98/65/641859865.db2.gz IUUYBHNSCOZFQP-VXGBXAGGSA-N 1 0 247.382 3.487 20 10 BGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@H]2C)c1O ZINC000915794824 641859024 /nfs/dbraw/zinc/85/90/24/641859024.db2.gz KIZZNTJPEZNMIL-GFCCVEGCSA-N 1 0 249.354 3.084 20 10 BGCDRO COc1cc(C)cc(C[N@@H+]2CCCC[C@@H]2C)c1O ZINC000915794825 641859389 /nfs/dbraw/zinc/85/93/89/641859389.db2.gz KIZZNTJPEZNMIL-LBPRGKRZSA-N 1 0 249.354 3.084 20 10 BGCDRO CC(C)C[N@H+](Cc1ccc(N(C)C)cc1)C1CC1 ZINC000917074217 642003076 /nfs/dbraw/zinc/00/30/76/642003076.db2.gz UQOCAOKQLIARAV-UHFFFAOYSA-N 1 0 246.398 3.373 20 10 BGCDRO CCC[N@H+](Cc1ccc(N(C)C)cc1)C(C)C ZINC000917075149 642001276 /nfs/dbraw/zinc/00/12/76/642001276.db2.gz QRFFIJMAPLJWIW-UHFFFAOYSA-N 1 0 234.387 3.373 20 10 BGCDRO CC[N@@H+](Cc1cc(C)c(C)cc1O)CC(C)C ZINC000917454250 642065018 /nfs/dbraw/zinc/06/50/18/642065018.db2.gz MCNMSQMLSPIVAM-UHFFFAOYSA-N 1 0 235.371 3.487 20 10 BGCDRO CC[N@@H+](Cc1cc2c(cc1O)CCC2)CC(C)C ZINC000917454723 642066152 /nfs/dbraw/zinc/06/61/52/642066152.db2.gz YAOKZVHOGXDKHT-UHFFFAOYSA-N 1 0 247.382 3.359 20 10 BGCDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000920257048 642460638 /nfs/dbraw/zinc/46/06/38/642460638.db2.gz CHECCZPYBAFODH-KBPBESRZSA-N 1 0 246.398 3.231 20 10 BGCDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000920257049 642461590 /nfs/dbraw/zinc/46/15/90/642461590.db2.gz CHECCZPYBAFODH-OKILXGFUSA-N 1 0 246.398 3.231 20 10 BGCDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000920257050 642461378 /nfs/dbraw/zinc/46/13/78/642461378.db2.gz CHECCZPYBAFODH-ZIAGYGMSSA-N 1 0 246.398 3.231 20 10 BGCDRO CCC[NH+](CCC)Cc1ccc(N(C)C)cc1 ZINC000920258264 642463696 /nfs/dbraw/zinc/46/36/96/642463696.db2.gz KTFJSBOVBBHJHV-UHFFFAOYSA-N 1 0 234.387 3.375 20 10 BGCDRO CC[C@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000920258819 642463498 /nfs/dbraw/zinc/46/34/98/642463498.db2.gz XQSULNLGBIOSIN-AWEZNQCLSA-N 1 0 246.398 3.375 20 10 BGCDRO CC[C@@H]1CCC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000920258821 642463626 /nfs/dbraw/zinc/46/36/26/642463626.db2.gz XQSULNLGBIOSIN-CQSZACIVSA-N 1 0 246.398 3.375 20 10 BGCDRO CC(C)CC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000921049889 711881637 /nfs/dbraw/zinc/88/16/37/711881637.db2.gz JTTAVCBUQLEADM-UHFFFAOYSA-N 1 0 247.382 3.359 20 10 BGCDRO Cc1cc(O)c(C[N@@H+](C)CCC(C)C)cc1C ZINC000921049968 711881878 /nfs/dbraw/zinc/88/18/78/711881878.db2.gz MJBSYNNRPIKUGC-UHFFFAOYSA-N 1 0 235.371 3.487 20 10 BGCDRO c1cc2c(cc1C[NH2+]C1(C3CC3)CC1)CCCO2 ZINC000921840142 643807142 /nfs/dbraw/zinc/80/71/42/643807142.db2.gz BFNCSQHOOZJWQL-UHFFFAOYSA-N 1 0 243.350 3.044 20 10 BGCDRO CC1([NH2+]Cc2ccc3c(c2)CCCO3)CCC1 ZINC000921935258 643829392 /nfs/dbraw/zinc/82/93/92/643829392.db2.gz SBWDHQPYDXTYCU-UHFFFAOYSA-N 1 0 231.339 3.044 20 10 BGCDRO CCC1([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000922154172 643875524 /nfs/dbraw/zinc/87/55/24/643875524.db2.gz SDANQGXIXUNVGO-UHFFFAOYSA-N 1 0 231.339 3.044 20 10 BGCDRO CC1([NH2+]Cc2ccc3c(c2)CCCO3)CC=CC1 ZINC000922225414 643910335 /nfs/dbraw/zinc/91/03/35/643910335.db2.gz QQXUSAKOIOLCIK-UHFFFAOYSA-N 1 0 243.350 3.210 20 10 BGCDRO CC(C)(/C=C/Cl)[NH2+]Cc1ccccc1O ZINC000922647429 644051127 /nfs/dbraw/zinc/05/11/27/644051127.db2.gz BRLDKKMCKDOSGY-BQYQJAHWSA-N 1 0 225.719 3.013 20 10 BGCDRO CC(C)(/C=C\Cl)[NH2+]Cc1ccccc1O ZINC000922647433 644050852 /nfs/dbraw/zinc/05/08/52/644050852.db2.gz BRLDKKMCKDOSGY-FPLPWBNLSA-N 1 0 225.719 3.013 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)/C=C\Cl)c1 ZINC000922649179 644054009 /nfs/dbraw/zinc/05/40/09/644054009.db2.gz UMMJTMGBNAYYJE-SREVYHEPSA-N 1 0 239.746 3.321 20 10 BGCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)/C=C/Cl)c1 ZINC000922649180 644054185 /nfs/dbraw/zinc/05/41/85/644054185.db2.gz UMMJTMGBNAYYJE-VOTSOKGWSA-N 1 0 239.746 3.321 20 10 BGCDRO Cc1cc(O)c(C[NH2+][C@]23C[C@H]2CCC3)cc1C ZINC000923023131 644236126 /nfs/dbraw/zinc/23/61/26/644236126.db2.gz KASKUUDWKKXNAL-UKRRQHHQSA-N 1 0 231.339 3.041 20 10 BGCDRO c1cc2c(cc1C[NH2+][C@]13C[C@H]1CCC3)CCCO2 ZINC000923026090 644238403 /nfs/dbraw/zinc/23/84/03/644238403.db2.gz WJYGCFJLYBFJIP-GDBMZVCRSA-N 1 0 243.350 3.044 20 10 BGCDRO Oc1ccccc1C[NH2+]C1CC2(C1)CCCC2 ZINC000924900187 635756005 /nfs/dbraw/zinc/75/60/05/635756005.db2.gz AXCUFZKAYNPIFC-UHFFFAOYSA-N 1 0 231.339 3.205 20 10 BGCDRO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1ccccc1O ZINC000927015215 636989167 /nfs/dbraw/zinc/98/91/67/636989167.db2.gz ACDQGHRWXKYTLU-DOMZBBRYSA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccccc1O ZINC000927015221 636990258 /nfs/dbraw/zinc/99/02/58/636990258.db2.gz ACDQGHRWXKYTLU-IUODEOHRSA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccccc1O ZINC000927015224 636988430 /nfs/dbraw/zinc/98/84/30/636988430.db2.gz ACDQGHRWXKYTLU-SWLSCSKDSA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1ccccc1O ZINC000927015226 636990235 /nfs/dbraw/zinc/99/02/35/636990235.db2.gz ACDQGHRWXKYTLU-WFASDCNBSA-N 1 0 249.354 3.002 20 10 BGCDRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccccc1O ZINC000927117384 645552604 /nfs/dbraw/zinc/55/26/04/645552604.db2.gz AWFXJKZLLQIFCR-JMSVASOKSA-N 1 0 231.339 3.233 20 10 BGCDRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cc(F)ccc1O ZINC000927120611 637038069 /nfs/dbraw/zinc/03/80/69/637038069.db2.gz VNGYEZGMUAGKMQ-HFAKWTLXSA-N 1 0 249.329 3.372 20 10 BGCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@]13C[C@H]1CCC3)CC2 ZINC000927123128 637039675 /nfs/dbraw/zinc/03/96/75/637039675.db2.gz WMKYUYJMOOYJIM-WWGRRREGSA-N 1 0 243.350 3.159 20 10 BGCDRO C[N@H+](CCCC(C)(F)F)Cc1ccccc1O ZINC000929977468 642059495 /nfs/dbraw/zinc/05/94/95/642059495.db2.gz UXCDJDDHMVBYRY-UHFFFAOYSA-N 1 0 243.297 3.259 20 10 BGCDRO