smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C1CCC([NH2+]Cc2cccc(O)c2[O-])CC1	ZINC000051694530	181341657	/nfs/dbraw/zinc/34/16/57/181341657.db2.gz	ABCCJUYMTROUFS-UHFFFAOYSA-N	1	3	236.315	1.457	10	10		BDCEHO
COc1cccc([O-])c1[C@@H]([NH3+])CCC[NH3+]	ZINC000575437789	387110838	/nfs/dbraw/zinc/11/08/38/387110838.db2.gz	AJWRZXDSKKTZLH-QMMMGPOBSA-N	1	3	210.277	1.140	10	10		BDCEHO
CN1CC[C@H](C[NH2+]Cc2ccccc2O)C1	ZINC000037484666	173147439	/nfs/dbraw/zinc/14/74/39/173147439.db2.gz	VKILTNSLHJYYIF-LLVKDONJSA-N	1	3	220.316	1.434	10	10		BDCEHO
CCCN1CCN(c2ccc(C[NH3+])c(C)c2)CC1	ZINC000050581509	534931999	/nfs/dbraw/zinc/93/19/99/534931999.db2.gz	RZIXQMSMHVVHIJ-UHFFFAOYSA-N	1	3	247.386	1.986	10	10		BDCEHO
C[C@H](c1ccccc1[O-])[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245150	177042935	/nfs/dbraw/zinc/04/29/35/177042935.db2.gz	GAKOSSDASKDZCR-GHMZBOCLSA-N	1	3	220.316	1.734	10	10		BDCEHO
C[C@H](c1ccccc1[O-])[N@H+]1CC[C@H](C[NH3+])C1	ZINC000050245150	177042936	/nfs/dbraw/zinc/04/29/36/177042936.db2.gz	GAKOSSDASKDZCR-GHMZBOCLSA-N	1	3	220.316	1.734	10	10		BDCEHO
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-]	ZINC000162940418	633042990	/nfs/dbraw/zinc/04/29/90/633042990.db2.gz	UCLKLMVUABXZCR-JQWIXIFHSA-N	1	3	220.316	1.609	10	10		BDCEHO
COc1ccc(CNCC[C@H](C)[NH3+])cc1C	ZINC000258662176	711739958	/nfs/dbraw/zinc/73/99/58/711739958.db2.gz	BVJLZIBJHBFCDY-NSHDSACASA-N	1	3	222.332	1.831	10	10		BDCEHO
[NH3+]CCCC[C@H]([NH3+])c1ccc(O)cc1[O-]	ZINC000575439556	387122964	/nfs/dbraw/zinc/12/29/64/387122964.db2.gz	GZPXHOXUQRFWDO-JTQLQIEISA-N	1	3	210.277	1.227	10	10		BDCEHO
[NH3+]CCCC[C@H]([NH3+])c1cccc(O)c1[O-]	ZINC000575440185	387127629	/nfs/dbraw/zinc/12/76/29/387127629.db2.gz	MUOURVPGGOZXJV-VIFPVBQESA-N	1	3	210.277	1.227	10	10		BDCEHO
Cc1cc(F)cc([C@H]([NH3+])CCC[NH3+])c1[O-]	ZINC000575440093	387127809	/nfs/dbraw/zinc/12/78/09/387127809.db2.gz	UKCUDMJBLMDGLY-SNVBAGLBSA-N	1	3	212.268	1.578	10	10		BDCEHO
Cc1cccc([C@H]([NH3+])CCCC[NH3+])c1[O-]	ZINC000575438290	387129764	/nfs/dbraw/zinc/12/97/64/387129764.db2.gz	IHGFIBCAPDUFDM-LLVKDONJSA-N	1	3	208.305	1.829	10	10		BDCEHO
COc1ccc([O-])c([C@@H]([NH3+])CCCC[NH3+])c1	ZINC000575440435	387133534	/nfs/dbraw/zinc/13/35/34/387133534.db2.gz	VGBXHPWZPKRONE-NSHDSACASA-N	1	3	224.304	1.530	10	10		BDCEHO
[NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]12	ZINC000310434377	632740820	/nfs/dbraw/zinc/74/08/20/632740820.db2.gz	QYKIRRFYQHJFIQ-CYZMBNFOSA-N	1	3	232.327	1.561	10	10		BDCEHO
[NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]12	ZINC000310434377	632740824	/nfs/dbraw/zinc/74/08/24/632740824.db2.gz	QYKIRRFYQHJFIQ-CYZMBNFOSA-N	1	3	232.327	1.561	10	10		BDCEHO
Cc1cc(F)cc([C@@H]([NH3+])CCCC[NH3+])c1[O-]	ZINC000575439594	387123708	/nfs/dbraw/zinc/12/37/08/387123708.db2.gz	UKPKSZQRWDZPAN-NSHDSACASA-N	1	3	226.295	1.969	10	10		BDCEHO
COc1ccc([O-])c([C@@H]([NH3+])CCC[NH3+])c1	ZINC000575440340	387123360	/nfs/dbraw/zinc/12/33/60/387123360.db2.gz	OUFWBQKXBJNANV-JTQLQIEISA-N	1	3	210.277	1.140	10	10		BDCEHO
Cc1cc(F)cc([C@@H]([NH3+])CCC[NH3+])c1[O-]	ZINC000575439593	387124048	/nfs/dbraw/zinc/12/40/48/387124048.db2.gz	UKCUDMJBLMDGLY-JTQLQIEISA-N	1	3	212.268	1.578	10	10		BDCEHO
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-]	ZINC000162940310	635205518	/nfs/dbraw/zinc/20/55/18/635205518.db2.gz	UCLKLMVUABXZCR-CMPLNLGQSA-N	1	3	220.316	1.609	10	10		BDCEHO
C[C@@H](c1cc(O)ccc1O)N1CC[C@H](C[NH3+])C1	ZINC000050245036	176012583	/nfs/dbraw/zinc/01/25/83/176012583.db2.gz	ZRSBYMVUEXILEY-VHSXEESVSA-N	1	3	236.315	1.439	10	10		BDCEHO
[NH3+]CCCC[C@H]([NH3+])c1cc(F)ccc1[O-]	ZINC000575439749	388630404	/nfs/dbraw/zinc/63/04/04/388630404.db2.gz	VQXJSVUHWWRDER-JTQLQIEISA-N	1	3	212.268	1.660	10	10		BDCEHO
Cc1ccc([C@H]([NH3+])CCCC[NH3+])c([O-])c1	ZINC000575438175	387104337	/nfs/dbraw/zinc/10/43/37/387104337.db2.gz	GQOYSANRPHMRQY-LLVKDONJSA-N	1	3	208.305	1.829	10	10		BDCEHO
COc1cccc([C@@H]([NH3+])CCC[NH3+])c1[O-]	ZINC000575439872	387125743	/nfs/dbraw/zinc/12/57/43/387125743.db2.gz	WTPKEEBVWRBECX-VIFPVBQESA-N	1	3	210.277	1.140	10	10		BDCEHO
CCN1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000011757243	132320467	/nfs/dbraw/zinc/32/04/67/132320467.db2.gz	PECFPGUVZSQMHJ-UHFFFAOYSA-N	1	3	219.332	1.287	10	10		BDCEHO
C[NH2+]Cc1ccc(N2CCN(C(C)C)CC2)cc1	ZINC000036190535	132340812	/nfs/dbraw/zinc/34/08/12/132340812.db2.gz	OLFDGNKXGRCDDR-UHFFFAOYSA-N	1	3	247.386	1.936	10	10		BDCEHO
C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1N	ZINC000235672906	643463221	/nfs/dbraw/zinc/46/32/21/643463221.db2.gz	IEUNBKBFLVZPCK-ONGXEEELSA-N	1	3	206.289	1.171	10	10		BDCEHO
C[C@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1N	ZINC000235672906	643463224	/nfs/dbraw/zinc/46/32/24/643463224.db2.gz	IEUNBKBFLVZPCK-ONGXEEELSA-N	1	3	206.289	1.171	10	10		BDCEHO
COc1cccc([C@@H]([NH3+])CCCC[NH3+])c1[O-]	ZINC000575437984	387112930	/nfs/dbraw/zinc/11/29/30/387112930.db2.gz	DTYOMXFXFXJMOI-JTQLQIEISA-N	1	3	224.304	1.530	10	10		BDCEHO
COc1ccc(CNCC[C@@H](C)[NH3+])cc1C	ZINC000258662175	711739979	/nfs/dbraw/zinc/73/99/79/711739979.db2.gz	BVJLZIBJHBFCDY-LLVKDONJSA-N	1	3	222.332	1.831	10	10		BDCEHO
[NH3+]CCCC[C@@H]([NH3+])c1ccc(O)cc1[O-]	ZINC000575438744	387119460	/nfs/dbraw/zinc/11/94/60/387119460.db2.gz	GZPXHOXUQRFWDO-SNVBAGLBSA-N	1	3	210.277	1.227	10	10		BDCEHO
COc1ccc([C@H]([NH3+])CCC[NH3+])c([O-])c1	ZINC000575439884	387125275	/nfs/dbraw/zinc/12/52/75/387125275.db2.gz	NQUPOHFSLGJIBR-SNVBAGLBSA-N	1	3	210.277	1.140	10	10		BDCEHO
Cc1ccc([O-])c([C@H]([NH3+])CCCC[NH3+])c1	ZINC000575439988	387128117	/nfs/dbraw/zinc/12/81/17/387128117.db2.gz	QRIOTEFXTGIZSA-LLVKDONJSA-N	1	3	208.305	1.829	10	10		BDCEHO
[NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-]	ZINC000162940103	633043210	/nfs/dbraw/zinc/04/32/10/633043210.db2.gz	UCLKLMVUABXZCR-ZYHUDNBSSA-N	1	3	220.316	1.609	10	10		BDCEHO
CCCN1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000019865415	534932026	/nfs/dbraw/zinc/93/20/26/534932026.db2.gz	BCOQYBGLSCQSFK-UHFFFAOYSA-N	1	3	233.359	1.677	10	10		BDCEHO
C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1C[NH3+]	ZINC000708875176	712201790	/nfs/dbraw/zinc/20/17/90/712201790.db2.gz	OCGJOMOXPUERAL-JQWIXIFHSA-N	1	3	220.316	1.419	10	10		BDCEHO
C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1C[NH3+]	ZINC000708875176	712201791	/nfs/dbraw/zinc/20/17/91/712201791.db2.gz	OCGJOMOXPUERAL-JQWIXIFHSA-N	1	3	220.316	1.419	10	10		BDCEHO
[NH3+]CCCC[C@@H]([NH3+])c1cc(O)ccc1[O-]	ZINC000575438818	387119598	/nfs/dbraw/zinc/11/95/98/387119598.db2.gz	BDIGKPCBMVXTQU-SNVBAGLBSA-N	1	3	210.277	1.227	10	10		BDCEHO
CCOc1cccc([C@@H]([NH3+])CCC[NH3+])c1[O-]	ZINC000575439918	387125593	/nfs/dbraw/zinc/12/55/93/387125593.db2.gz	XVZQZXNCWWKESF-JTQLQIEISA-N	1	3	224.304	1.530	10	10		BDCEHO
Cc1cccc([C@@H]([NH3+])CCCC[NH3+])c1[O-]	ZINC000575438305	387129357	/nfs/dbraw/zinc/12/93/57/387129357.db2.gz	IHGFIBCAPDUFDM-NSHDSACASA-N	1	3	208.305	1.829	10	10		BDCEHO
CCN1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1	ZINC000019872685	535747647	/nfs/dbraw/zinc/74/76/47/535747647.db2.gz	GKXLNNFWFXBEIT-GFCCVEGCSA-N	1	3	233.359	1.848	10	10		BDCEHO
Cc1ccc([C@@H]([NH3+])CCCC[NH3+])c([O-])c1	ZINC000575438164	387105251	/nfs/dbraw/zinc/10/52/51/387105251.db2.gz	GQOYSANRPHMRQY-NSHDSACASA-N	1	3	208.305	1.829	10	10		BDCEHO
CN(C)c1ccc(C[NH2+]C[C@H]2CCN(C)C2)cc1	ZINC000037645798	173146625	/nfs/dbraw/zinc/14/66/25/173146625.db2.gz	ZFHTWEIQLHUGLV-CQSZACIVSA-N	1	3	247.386	1.794	10	10		BDCEHO
CN(C)c1ccc(CNC[C@H]2CC[N@H+](C)C2)cc1	ZINC000037645798	173146626	/nfs/dbraw/zinc/14/66/26/173146626.db2.gz	ZFHTWEIQLHUGLV-CQSZACIVSA-N	1	3	247.386	1.794	10	10		BDCEHO
CN(C)c1ccc(CNC[C@H]2CC[N@@H+](C)C2)cc1	ZINC000037645798	173146629	/nfs/dbraw/zinc/14/66/29/173146629.db2.gz	ZFHTWEIQLHUGLV-CQSZACIVSA-N	1	3	247.386	1.794	10	10		BDCEHO
Cc1cc(F)cc([C@H]([NH3+])CCCC[NH3+])c1[O-]	ZINC000575440096	387127946	/nfs/dbraw/zinc/12/79/46/387127946.db2.gz	UKPKSZQRWDZPAN-LLVKDONJSA-N	1	3	226.295	1.969	10	10		BDCEHO
CCOc1cccc([C@H]([NH3+])CCC[NH3+])c1[O-]	ZINC000575439917	387125566	/nfs/dbraw/zinc/12/55/66/387125566.db2.gz	XVZQZXNCWWKESF-SNVBAGLBSA-N	1	3	224.304	1.530	10	10		BDCEHO
COc1cccc([C@H]([NH3+])CCC[NH3+])c1[O-]	ZINC000575439873	387125888	/nfs/dbraw/zinc/12/58/88/387125888.db2.gz	WTPKEEBVWRBECX-SECBINFHSA-N	1	3	210.277	1.140	10	10		BDCEHO
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-]	ZINC000162940206	633042295	/nfs/dbraw/zinc/04/22/95/633042295.db2.gz	UCLKLMVUABXZCR-PWSUYJOCSA-N	1	3	220.316	1.609	10	10		BDCEHO
CN1CCc2cc(CNCCC[NH3+])ccc21	ZINC000050286689	173170704	/nfs/dbraw/zinc/17/07/04/173170704.db2.gz	LVQJOSWKKUUDRG-UHFFFAOYSA-N	1	3	219.332	1.117	10	10		BDCEHO
C[C@H](c1cc(O)ccc1O)N1CC[C@H](C[NH3+])C1	ZINC000050245037	177031853	/nfs/dbraw/zinc/03/18/53/177031853.db2.gz	ZRSBYMVUEXILEY-NXEZZACHSA-N	1	3	236.315	1.439	10	10		BDCEHO
COc1cccc([O-])c1[C@@H]([NH3+])CCCC[NH3+]	ZINC000575437951	387112569	/nfs/dbraw/zinc/11/25/69/387112569.db2.gz	CWIWJUWHURECNS-VIFPVBQESA-N	1	3	224.304	1.530	10	10		BDCEHO
C[C@@H](c1ccccc1[O-])[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245149	176025986	/nfs/dbraw/zinc/02/59/86/176025986.db2.gz	GAKOSSDASKDZCR-WDEREUQCSA-N	1	3	220.316	1.734	10	10		BDCEHO
C[C@@H](c1ccccc1[O-])[N@H+]1CC[C@H](C[NH3+])C1	ZINC000050245149	176025988	/nfs/dbraw/zinc/02/59/88/176025988.db2.gz	GAKOSSDASKDZCR-WDEREUQCSA-N	1	3	220.316	1.734	10	10		BDCEHO
CN(C)c1ccc(C[NH2+]C[C@@H]2CCN(C)C2)cc1	ZINC000037645799	173116121	/nfs/dbraw/zinc/11/61/21/173116121.db2.gz	ZFHTWEIQLHUGLV-AWEZNQCLSA-N	1	3	247.386	1.794	10	10		BDCEHO
CN(C)c1ccc(CNC[C@@H]2CC[N@H+](C)C2)cc1	ZINC000037645799	173116124	/nfs/dbraw/zinc/11/61/24/173116124.db2.gz	ZFHTWEIQLHUGLV-AWEZNQCLSA-N	1	3	247.386	1.794	10	10		BDCEHO
CN(C)c1ccc(CNC[C@@H]2CC[N@@H+](C)C2)cc1	ZINC000037645799	173116127	/nfs/dbraw/zinc/11/61/27/173116127.db2.gz	ZFHTWEIQLHUGLV-AWEZNQCLSA-N	1	3	247.386	1.794	10	10		BDCEHO
[NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]12	ZINC000310434378	711776173	/nfs/dbraw/zinc/77/61/73/711776173.db2.gz	QYKIRRFYQHJFIQ-KGYLQXTDSA-N	1	3	232.327	1.561	10	10		BDCEHO
[NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]12	ZINC000310434378	711776174	/nfs/dbraw/zinc/77/61/74/711776174.db2.gz	QYKIRRFYQHJFIQ-KGYLQXTDSA-N	1	3	232.327	1.561	10	10		BDCEHO
C[C@@H]1[C@@H](N)CC[N@@H+]1Cc1ccccc1O	ZINC000379983173	712643832	/nfs/dbraw/zinc/64/38/32/712643832.db2.gz	SXSXFFWBQGVLQT-KOLCDFICSA-N	1	3	206.289	1.314	10	10		BDCEHO
C[C@@H]1[C@@H](N)CC[N@H+]1Cc1ccccc1O	ZINC000379983173	712643833	/nfs/dbraw/zinc/64/38/33/712643833.db2.gz	SXSXFFWBQGVLQT-KOLCDFICSA-N	1	3	206.289	1.314	10	10		BDCEHO
COc1ccc([C@@H]([NH3+])CCCC[NH3+])c([O-])c1	ZINC000575440393	387133286	/nfs/dbraw/zinc/13/32/86/387133286.db2.gz	SGJSUJBDACPWRZ-NSHDSACASA-N	1	3	224.304	1.530	10	10		BDCEHO
Cc1ccc([O-])c([C@@H]([NH3+])CCCC[NH3+])c1	ZINC000575440368	387141158	/nfs/dbraw/zinc/14/11/58/387141158.db2.gz	QRIOTEFXTGIZSA-NSHDSACASA-N	1	3	208.305	1.829	10	10		BDCEHO
C[C@@H]([NH3+])CCNCc1ccc2c(c1)CCO2	ZINC000258851032	711743875	/nfs/dbraw/zinc/74/38/75/711743875.db2.gz	XMMRCYWMUXBTDX-SNVBAGLBSA-N	1	3	220.316	1.448	10	10		BDCEHO
C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1C[NH3+]	ZINC000708875177	712202140	/nfs/dbraw/zinc/20/21/40/712202140.db2.gz	OCGJOMOXPUERAL-PWSUYJOCSA-N	1	3	220.316	1.419	10	10		BDCEHO
C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1C[NH3+]	ZINC000708875177	712202141	/nfs/dbraw/zinc/20/21/41/712202141.db2.gz	OCGJOMOXPUERAL-PWSUYJOCSA-N	1	3	220.316	1.419	10	10		BDCEHO
CC(C)CN1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020266015	535105836	/nfs/dbraw/zinc/10/58/36/535105836.db2.gz	VBBQULKXKMNKSY-UHFFFAOYSA-N	1	3	247.386	1.923	10	10		BDCEHO
COc1cccc([O-])c1[C@H]([NH3+])CCC[NH3+]	ZINC000575437970	388472959	/nfs/dbraw/zinc/47/29/59/388472959.db2.gz	AJWRZXDSKKTZLH-MRVPVSSYSA-N	1	3	210.277	1.140	10	10		BDCEHO
CC(C)N1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020265952	132330987	/nfs/dbraw/zinc/33/09/87/132330987.db2.gz	GJUQIRSPDWTWFK-UHFFFAOYSA-N	1	3	233.359	1.676	10	10		BDCEHO
CN1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000037647062	173147663	/nfs/dbraw/zinc/14/76/63/173147663.db2.gz	GHPQPMPQPOOPGD-CYBMUJFWSA-N	1	3	246.354	1.663	10	10		BDCEHO
[NH3+]CCCC[C@@H]([NH3+])c1cccc(O)c1[O-]	ZINC000575439464	387123162	/nfs/dbraw/zinc/12/31/62/387123162.db2.gz	MUOURVPGGOZXJV-SECBINFHSA-N	1	3	210.277	1.227	10	10		BDCEHO
C[C@H]1[C@H](N)CC[N@@H+]1Cc1ccccc1O	ZINC000379983169	712643907	/nfs/dbraw/zinc/64/39/07/712643907.db2.gz	SXSXFFWBQGVLQT-GXSJLCMTSA-N	1	3	206.289	1.314	10	10		BDCEHO
C[C@H]1[C@H](N)CC[N@H+]1Cc1ccccc1O	ZINC000379983169	712643908	/nfs/dbraw/zinc/64/39/08/712643908.db2.gz	SXSXFFWBQGVLQT-GXSJLCMTSA-N	1	3	206.289	1.314	10	10		BDCEHO
COc1cccc([O-])c1[C@H]([NH3+])CCCC[NH3+]	ZINC000575438046	387113303	/nfs/dbraw/zinc/11/33/03/387113303.db2.gz	CWIWJUWHURECNS-SECBINFHSA-N	1	3	224.304	1.530	10	10		BDCEHO
[NH3+]CCCC[C@@H]([NH3+])c1cc(F)ccc1[O-]	ZINC000575439162	387121652	/nfs/dbraw/zinc/12/16/52/387121652.db2.gz	VQXJSVUHWWRDER-SNVBAGLBSA-N	1	3	212.268	1.660	10	10		BDCEHO
[NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]12	ZINC000310434380	632740969	/nfs/dbraw/zinc/74/09/69/632740969.db2.gz	QYKIRRFYQHJFIQ-WCFLWFBJSA-N	1	3	232.327	1.561	10	10		BDCEHO
[NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]12	ZINC000310434380	632740973	/nfs/dbraw/zinc/74/09/73/632740973.db2.gz	QYKIRRFYQHJFIQ-WCFLWFBJSA-N	1	3	232.327	1.561	10	10		BDCEHO
CN1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000037647063	173116424	/nfs/dbraw/zinc/11/64/24/173116424.db2.gz	GHPQPMPQPOOPGD-ZDUSSCGKSA-N	1	3	246.354	1.663	10	10		BDCEHO
[NH3+]CCCC[C@H]([NH3+])c1cc(O)ccc1[O-]	ZINC000575439496	387123127	/nfs/dbraw/zinc/12/31/27/387123127.db2.gz	BDIGKPCBMVXTQU-JTQLQIEISA-N	1	3	210.277	1.227	10	10		BDCEHO
[NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]12	ZINC000310434379	711776150	/nfs/dbraw/zinc/77/61/50/711776150.db2.gz	QYKIRRFYQHJFIQ-RAIGVLPGSA-N	1	3	232.327	1.561	10	10		BDCEHO
[NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]12	ZINC000310434379	711776151	/nfs/dbraw/zinc/77/61/51/711776151.db2.gz	QYKIRRFYQHJFIQ-RAIGVLPGSA-N	1	3	232.327	1.561	10	10		BDCEHO
COc1cccc([C@H]([NH3+])CCCC[NH3+])c1[O-]	ZINC000575438096	387112330	/nfs/dbraw/zinc/11/23/30/387112330.db2.gz	DTYOMXFXFXJMOI-SNVBAGLBSA-N	1	3	224.304	1.530	10	10		BDCEHO
COc1ccc([O-])c([C@H]([NH3+])CCCC[NH3+])c1	ZINC000575440110	387128086	/nfs/dbraw/zinc/12/80/86/387128086.db2.gz	VGBXHPWZPKRONE-LLVKDONJSA-N	1	3	224.304	1.530	10	10		BDCEHO
[NH3+]Cc1ccc(N2CCNCC2)c(Cl)c1	ZINC000062793157	132388401	/nfs/dbraw/zinc/38/84/01/132388401.db2.gz	CXPFQGLEIJPWCP-UHFFFAOYSA-N	1	3	225.723	1.208	10	10		BDCEHO
C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1N	ZINC000235374764	643384068	/nfs/dbraw/zinc/38/40/68/643384068.db2.gz	IEUNBKBFLVZPCK-KOLCDFICSA-N	1	3	206.289	1.171	10	10		BDCEHO
C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@@H]1N	ZINC000235374764	643384072	/nfs/dbraw/zinc/38/40/72/643384072.db2.gz	IEUNBKBFLVZPCK-KOLCDFICSA-N	1	3	206.289	1.171	10	10		BDCEHO
COc1ccc([C@H]([NH3+])CCCC[NH3+])c([O-])c1	ZINC000575440064	387127550	/nfs/dbraw/zinc/12/75/50/387127550.db2.gz	SGJSUJBDACPWRZ-LLVKDONJSA-N	1	3	224.304	1.530	10	10		BDCEHO
COc1ccc([C@@H]([NH3+])CCC[NH3+])c([O-])c1	ZINC000575440196	387127825	/nfs/dbraw/zinc/12/78/25/387127825.db2.gz	NQUPOHFSLGJIBR-JTQLQIEISA-N	1	3	210.277	1.140	10	10		BDCEHO
CC[NH2+]Cc1ccc(N2CCN(CC)CC2)cc1	ZINC000034824237	535478718	/nfs/dbraw/zinc/47/87/18/535478718.db2.gz	MGZLKXQRFNARHP-UHFFFAOYSA-N	1	3	247.386	1.938	10	10		BDCEHO
CCN1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1	ZINC000019872687	535747439	/nfs/dbraw/zinc/74/74/39/535747439.db2.gz	GKXLNNFWFXBEIT-LBPRGKRZSA-N	1	3	233.359	1.848	10	10		BDCEHO
COc1ccc([O-])c([C@H]([NH3+])CCC[NH3+])c1	ZINC000575439935	387125572	/nfs/dbraw/zinc/12/55/72/387125572.db2.gz	OUFWBQKXBJNANV-SNVBAGLBSA-N	1	3	210.277	1.140	10	10		BDCEHO
CN1CC[C@@H](C[NH2+]Cc2ccccc2O)C1	ZINC000037484667	173118520	/nfs/dbraw/zinc/11/85/20/173118520.db2.gz	VKILTNSLHJYYIF-NSHDSACASA-N	1	3	220.316	1.434	10	10		BDCEHO