smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(CN2CCC[C@H]2C[NH3+])c1O	ZINC000131410525	591608014	/nfs/dbraw/zinc/60/80/14/591608014.db2.gz	HGDURUAAKHPPFE-NSHDSACASA-N	2	0	236.315	1.324	10	10		BDCERP
[NH3+]C1CCC([NH2+]Cc2cccc(O)c2O)CC1	ZINC000051694530	181341654	/nfs/dbraw/zinc/34/16/54/181341654.db2.gz	ABCCJUYMTROUFS-UHFFFAOYSA-N	2	0	236.315	1.457	10	10		BDCERP
COc1cccc(O)c1[C@@H]([NH3+])CCC[NH3+]	ZINC000575437789	387110834	/nfs/dbraw/zinc/11/08/34/387110834.db2.gz	AJWRZXDSKKTZLH-QMMMGPOBSA-N	2	0	210.277	1.140	10	10		BDCERP
C[NH+](C)C1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000036190845	132340817	/nfs/dbraw/zinc/34/08/17/132340817.db2.gz	DPRPPCJNYVHYBF-UHFFFAOYSA-N	2	0	233.359	1.676	10	10		BDCERP
C[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2O)C1	ZINC000037484666	173147435	/nfs/dbraw/zinc/14/74/35/173147435.db2.gz	VKILTNSLHJYYIF-LLVKDONJSA-N	2	0	220.316	1.434	10	10		BDCERP
C[C@@H](c1ccccc1O)[NH+]1CCC([NH3+])CC1	ZINC000020521426	176026364	/nfs/dbraw/zinc/02/63/64/176026364.db2.gz	BYFLTLDEDLUWPC-JTQLQIEISA-N	2	0	220.316	1.876	10	10		BDCERP
CCC[NH+]1CCN(c2ccc(C[NH3+])c(C)c2)CC1	ZINC000050581509	534931989	/nfs/dbraw/zinc/93/19/89/534931989.db2.gz	RZIXQMSMHVVHIJ-UHFFFAOYSA-N	2	0	247.386	1.986	10	10		BDCERP
C[C@@H](c1ccc(O)cc1O)[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245104	176016750	/nfs/dbraw/zinc/01/67/50/176016750.db2.gz	HRRGKSYRAAXZET-VHSXEESVSA-N	2	0	236.315	1.439	10	10		BDCERP
C[C@H](c1ccccc1O)[N@@H+]1CCC[NH2+]CC1	ZINC000038087010	177042701	/nfs/dbraw/zinc/04/27/01/177042701.db2.gz	GXXJQYXGBATFIE-LLVKDONJSA-N	2	0	220.316	1.749	10	10		BDCERP
C[C@H](c1ccccc1O)[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245150	177042933	/nfs/dbraw/zinc/04/29/33/177042933.db2.gz	GAKOSSDASKDZCR-GHMZBOCLSA-N	2	0	220.316	1.734	10	10		BDCERP
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O	ZINC000162940418	633042986	/nfs/dbraw/zinc/04/29/86/633042986.db2.gz	UCLKLMVUABXZCR-JQWIXIFHSA-N	2	0	220.316	1.609	10	10		BDCERP
COc1ccc(C[NH2+]CC[C@H](C)[NH3+])cc1C	ZINC000258662176	711739954	/nfs/dbraw/zinc/73/99/54/711739954.db2.gz	BVJLZIBJHBFCDY-NSHDSACASA-N	2	0	222.332	1.831	10	10		BDCERP
[NH3+]CCCC[C@H]([NH3+])c1ccc(O)cc1O	ZINC000575439556	387122960	/nfs/dbraw/zinc/12/29/60/387122960.db2.gz	GZPXHOXUQRFWDO-JTQLQIEISA-N	2	0	210.277	1.227	10	10		BDCERP
[NH3+]CCCC[C@H]([NH3+])c1cccc(O)c1O	ZINC000575440185	387127624	/nfs/dbraw/zinc/12/76/24/387127624.db2.gz	MUOURVPGGOZXJV-VIFPVBQESA-N	2	0	210.277	1.227	10	10		BDCERP
Cc1cc(F)cc([C@H]([NH3+])CCC[NH3+])c1O	ZINC000575440093	387127804	/nfs/dbraw/zinc/12/78/04/387127804.db2.gz	UKCUDMJBLMDGLY-SNVBAGLBSA-N	2	0	212.268	1.578	10	10		BDCERP
Cc1cccc([C@H]([NH3+])CCCC[NH3+])c1O	ZINC000575438290	387129760	/nfs/dbraw/zinc/12/97/60/387129760.db2.gz	IHGFIBCAPDUFDM-LLVKDONJSA-N	2	0	208.305	1.829	10	10		BDCERP
COc1ccc(O)c([C@@H]([NH3+])CCCC[NH3+])c1	ZINC000575440435	387133532	/nfs/dbraw/zinc/13/35/32/387133532.db2.gz	VGBXHPWZPKRONE-NSHDSACASA-N	2	0	224.304	1.530	10	10		BDCERP
[NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]12	ZINC000310434377	632740813	/nfs/dbraw/zinc/74/08/13/632740813.db2.gz	QYKIRRFYQHJFIQ-CYZMBNFOSA-N	2	0	232.327	1.561	10	10		BDCERP
C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+]	ZINC000708890252	712202462	/nfs/dbraw/zinc/20/24/62/712202462.db2.gz	WJQNWTIBOMHSNB-KOLCDFICSA-N	2	0	238.306	1.558	10	10		BDCERP
Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1	ZINC000708885144	712202774	/nfs/dbraw/zinc/20/27/74/712202774.db2.gz	WSDXCFFCTGXXNY-AAEUAGOBSA-N	2	0	234.343	1.727	10	10		BDCERP
[NH3+]CC[C@@H]([NH3+])c1cc(Cl)ccc1O	ZINC000306595019	360512456	/nfs/dbraw/zinc/51/24/56/360512456.db2.gz	XQLDKWNDCHXXPN-MRVPVSSYSA-N	2	0	200.669	1.394	10	10		BDCERP
[NH3+]CCCC[C@@H]([NH3+])c1ccc(O)c(O)c1	ZINC000575439240	387122245	/nfs/dbraw/zinc/12/22/45/387122245.db2.gz	ZRWLASAMWZIWCD-SECBINFHSA-N	2	0	210.277	1.227	10	10		BDCERP
Cc1cc(F)cc([C@@H]([NH3+])CCCC[NH3+])c1O	ZINC000575439594	387123705	/nfs/dbraw/zinc/12/37/05/387123705.db2.gz	UKPKSZQRWDZPAN-NSHDSACASA-N	2	0	226.295	1.969	10	10		BDCERP
CC[NH2+]Cc1ccc(OC)c(C[NH+](C)C)c1	ZINC000016942061	170127723	/nfs/dbraw/zinc/12/77/23/170127723.db2.gz	BKQSDVDSEOOQLG-UHFFFAOYSA-N	2	0	222.332	1.866	10	10		BDCERP
Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1	ZINC000310976554	634194369	/nfs/dbraw/zinc/19/43/69/634194369.db2.gz	QJLJEWJSUXQLFH-FPMFFAJLSA-N	2	0	246.354	1.870	10	10		BDCERP
Cc1cc(Cl)cc([C@@H]([NH3+])CN)c1O	ZINC000072200570	187276946	/nfs/dbraw/zinc/27/69/46/187276946.db2.gz	ZWFHDNGXIMXMOP-QMMMGPOBSA-N	2	0	200.669	1.313	10	10		BDCERP
[NH3+]C1CCC([NH2+]Cc2ccc(O)c(O)c2)CC1	ZINC000051692944	181341280	/nfs/dbraw/zinc/34/12/80/181341280.db2.gz	FEPKOQXKGZPSPE-UHFFFAOYSA-N	2	0	236.315	1.457	10	10		BDCERP
COc1ccc(O)c([C@@H]([NH3+])CCC[NH3+])c1	ZINC000575440340	387123352	/nfs/dbraw/zinc/12/33/52/387123352.db2.gz	OUFWBQKXBJNANV-JTQLQIEISA-N	2	0	210.277	1.140	10	10		BDCERP
Cc1cc(F)cc([C@@H]([NH3+])CCC[NH3+])c1O	ZINC000575439593	387124045	/nfs/dbraw/zinc/12/40/45/387124045.db2.gz	UKCUDMJBLMDGLY-JTQLQIEISA-N	2	0	212.268	1.578	10	10		BDCERP
C[NH2+]Cc1ccc(N2CCC([NH+](C)C)CC2)cc1	ZINC000036192785	132340797	/nfs/dbraw/zinc/34/07/97/132340797.db2.gz	RQZHMEIDKHKSMT-UHFFFAOYSA-N	2	0	247.386	1.936	10	10		BDCERP
Cc1cc(N2CC[NH+](C)CC2)ccc1C[NH3+]	ZINC000050581027	132359328	/nfs/dbraw/zinc/35/93/28/132359328.db2.gz	RUPBKHPWTYXLNE-UHFFFAOYSA-N	2	0	219.332	1.206	10	10		BDCERP
C[C@@H](c1ccccc1O)[N@@H+]1CCC[NH2+]CC1	ZINC000038087009	176026953	/nfs/dbraw/zinc/02/69/53/176026953.db2.gz	GXXJQYXGBATFIE-NSHDSACASA-N	2	0	220.316	1.749	10	10		BDCERP
C[C@H](c1ccc(O)cc1O)[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245105	177035655	/nfs/dbraw/zinc/03/56/55/177035655.db2.gz	HRRGKSYRAAXZET-NXEZZACHSA-N	2	0	236.315	1.439	10	10		BDCERP
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1O	ZINC000162940310	635205506	/nfs/dbraw/zinc/20/55/06/635205506.db2.gz	UCLKLMVUABXZCR-CMPLNLGQSA-N	2	0	220.316	1.609	10	10		BDCERP
[NH3+]CCC[C@@H]([NH3+])c1cc(Cl)ccc1O	ZINC000575438964	387122309	/nfs/dbraw/zinc/12/23/09/387122309.db2.gz	POZQHMLUMFWCMH-SECBINFHSA-N	2	0	214.696	1.784	10	10		BDCERP
CN1CCc2cc(C[NH+]3CCC([NH3+])CC3)ccc21	ZINC000050287726	173171066	/nfs/dbraw/zinc/17/10/66/173171066.db2.gz	XOEASQQCINETFL-UHFFFAOYSA-N	2	0	245.370	1.602	10	10		BDCERP
C[C@@H](c1cc(O)ccc1O)[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245036	176012580	/nfs/dbraw/zinc/01/25/80/176012580.db2.gz	ZRSBYMVUEXILEY-VHSXEESVSA-N	2	0	236.315	1.439	10	10		BDCERP
Cc1cc(Cl)cc([C@H]([NH3+])CC[NH3+])c1O	ZINC000306862436	351244270	/nfs/dbraw/zinc/24/42/70/351244270.db2.gz	IOLKKNCCMMRUDD-SECBINFHSA-N	2	0	214.696	1.703	10	10		BDCERP
C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+]	ZINC000708823711	712200037	/nfs/dbraw/zinc/20/00/37/712200037.db2.gz	VYHOOXKTICEUQP-OCCSQVGLSA-N	2	0	247.386	1.779	10	10		BDCERP
[NH3+]CC[C@H]([NH3+])c1cc(Cl)ccc1O	ZINC000306595020	360513142	/nfs/dbraw/zinc/51/31/42/360513142.db2.gz	XQLDKWNDCHXXPN-QMMMGPOBSA-N	2	0	200.669	1.394	10	10		BDCERP
COc1cccc([C@@H]([NH3+])CCC[NH3+])c1O	ZINC000575439872	387125741	/nfs/dbraw/zinc/12/57/41/387125741.db2.gz	WTPKEEBVWRBECX-VIFPVBQESA-N	2	0	210.277	1.140	10	10		BDCERP
CC[NH+]1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000011757243	132320466	/nfs/dbraw/zinc/32/04/66/132320466.db2.gz	PECFPGUVZSQMHJ-UHFFFAOYSA-N	2	0	219.332	1.287	10	10		BDCERP
C[NH2+]Cc1ccc(N2CC[NH+](C(C)C)CC2)cc1	ZINC000036190535	132340811	/nfs/dbraw/zinc/34/08/11/132340811.db2.gz	OLFDGNKXGRCDDR-UHFFFAOYSA-N	2	0	247.386	1.936	10	10		BDCERP
CC[NH2+]Cc1ccc(N2CC[C@H]([NH+](C)C)C2)cc1	ZINC000062967098	170127333	/nfs/dbraw/zinc/12/73/33/170127333.db2.gz	ZFXWLZNQXINOLV-HNNXBMFYSA-N	2	0	247.386	1.936	10	10		BDCERP
Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1	ZINC000310976555	636747514	/nfs/dbraw/zinc/74/75/14/636747514.db2.gz	QJLJEWJSUXQLFH-IACUBPJLSA-N	2	0	246.354	1.870	10	10		BDCERP
C[C@H]1CN(Cc2ccccc2O)C[C@@H]1[NH3+]	ZINC000235672906	643463199	/nfs/dbraw/zinc/46/31/99/643463199.db2.gz	IEUNBKBFLVZPCK-ONGXEEELSA-N	2	0	206.289	1.171	10	10		BDCERP
COc1cccc([C@@H]([NH3+])CCCC[NH3+])c1O	ZINC000575437984	387112924	/nfs/dbraw/zinc/11/29/24/387112924.db2.gz	DTYOMXFXFXJMOI-JTQLQIEISA-N	2	0	224.304	1.530	10	10		BDCERP
COc1ccc(C[NH2+]CC[C@@H](C)[NH3+])cc1C	ZINC000258662175	711739977	/nfs/dbraw/zinc/73/99/77/711739977.db2.gz	BVJLZIBJHBFCDY-LLVKDONJSA-N	2	0	222.332	1.831	10	10		BDCERP
[NH3+]CCCC[C@@H]([NH3+])c1ccc(O)cc1O	ZINC000575438744	387119454	/nfs/dbraw/zinc/11/94/54/387119454.db2.gz	GZPXHOXUQRFWDO-SNVBAGLBSA-N	2	0	210.277	1.227	10	10		BDCERP
COc1ccc([C@H]([NH3+])CCC[NH3+])c(O)c1	ZINC000575439884	387125270	/nfs/dbraw/zinc/12/52/70/387125270.db2.gz	NQUPOHFSLGJIBR-SNVBAGLBSA-N	2	0	210.277	1.140	10	10		BDCERP
Cc1ccc(O)c([C@H]([NH3+])CCCC[NH3+])c1	ZINC000575439988	387128114	/nfs/dbraw/zinc/12/81/14/387128114.db2.gz	QRIOTEFXTGIZSA-LLVKDONJSA-N	2	0	208.305	1.829	10	10		BDCERP
[NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1O	ZINC000162940103	633043208	/nfs/dbraw/zinc/04/32/08/633043208.db2.gz	UCLKLMVUABXZCR-ZYHUDNBSSA-N	2	0	220.316	1.609	10	10		BDCERP
c1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc2c1OCC2	ZINC000258956370	635229329	/nfs/dbraw/zinc/22/93/29/635229329.db2.gz	RYCGQESSIKFERB-GFCCVEGCSA-N	2	0	232.327	1.321	10	10		BDCERP
C[C@H](c1ccccc1O)[NH+]1CCC([NH3+])CC1	ZINC000020521425	177042968	/nfs/dbraw/zinc/04/29/68/177042968.db2.gz	BYFLTLDEDLUWPC-SNVBAGLBSA-N	2	0	220.316	1.876	10	10		BDCERP
CCC[NH+]1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000019865415	534932009	/nfs/dbraw/zinc/93/20/09/534932009.db2.gz	BCOQYBGLSCQSFK-UHFFFAOYSA-N	2	0	233.359	1.677	10	10		BDCERP
C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1C[NH3+]	ZINC000708875176	712201785	/nfs/dbraw/zinc/20/17/85/712201785.db2.gz	OCGJOMOXPUERAL-JQWIXIFHSA-N	2	0	220.316	1.419	10	10		BDCERP
Cc1cc(Cl)cc([C@@H]([NH3+])CC[NH3+])c1O	ZINC000306862437	351244722	/nfs/dbraw/zinc/24/47/22/351244722.db2.gz	IOLKKNCCMMRUDD-VIFPVBQESA-N	2	0	214.696	1.703	10	10		BDCERP
C[C@@H](Cn1ccnc1)[NH2+]Cc1cccc(F)c1[O-]	ZINC000158716799	384259475	/nfs/dbraw/zinc/25/94/75/384259475.db2.gz	YOLXGWKNUZZRMF-JTQLQIEISA-N	2	0	249.289	1.906	10	10		BDCERP
[NH3+]CCCC[C@@H]([NH3+])c1cc(O)ccc1O	ZINC000575438818	387119594	/nfs/dbraw/zinc/11/95/94/387119594.db2.gz	BDIGKPCBMVXTQU-SNVBAGLBSA-N	2	0	210.277	1.227	10	10		BDCERP
CCOc1cccc([C@@H]([NH3+])CCC[NH3+])c1O	ZINC000575439918	387125587	/nfs/dbraw/zinc/12/55/87/387125587.db2.gz	XVZQZXNCWWKESF-JTQLQIEISA-N	2	0	224.304	1.530	10	10		BDCERP
Cc1cccc([C@@H]([NH3+])CCCC[NH3+])c1O	ZINC000575438305	387129353	/nfs/dbraw/zinc/12/93/53/387129353.db2.gz	IHGFIBCAPDUFDM-NSHDSACASA-N	2	0	208.305	1.829	10	10		BDCERP
CC[NH2+]Cc1ccc(N2CC[C@@H]([NH+](C)C)C2)cc1	ZINC000062967099	170127750	/nfs/dbraw/zinc/12/77/50/170127750.db2.gz	ZFXWLZNQXINOLV-OAHLLOKOSA-N	2	0	247.386	1.936	10	10		BDCERP
CC[NH+]1CCN(c2ccc([C@@H](C)[NH3+])cc2)CC1	ZINC000019872685	535747642	/nfs/dbraw/zinc/74/76/42/535747642.db2.gz	GKXLNNFWFXBEIT-GFCCVEGCSA-N	2	0	233.359	1.848	10	10		BDCERP
Cc1ccc([C@@H]([NH3+])CCCC[NH3+])c(O)c1	ZINC000575438164	387105250	/nfs/dbraw/zinc/10/52/50/387105250.db2.gz	GQOYSANRPHMRQY-NSHDSACASA-N	2	0	208.305	1.829	10	10		BDCERP
CN(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C)C2)cc1	ZINC000037645798	173146622	/nfs/dbraw/zinc/14/66/22/173146622.db2.gz	ZFHTWEIQLHUGLV-CQSZACIVSA-N	2	0	247.386	1.794	10	10		BDCERP
C[NH2+]Cc1ccc(N(C)CC[NH+]2CCCC2)cc1	ZINC000063052527	188304315	/nfs/dbraw/zinc/30/43/15/188304315.db2.gz	UZJXTAKSFVWRHM-UHFFFAOYSA-N	2	0	247.386	1.938	10	10		BDCERP
Cc1cc(F)cc([C@H]([NH3+])CCCC[NH3+])c1O	ZINC000575440096	387127944	/nfs/dbraw/zinc/12/79/44/387127944.db2.gz	UKPKSZQRWDZPAN-LLVKDONJSA-N	2	0	226.295	1.969	10	10		BDCERP
CCOc1cccc([C@H]([NH3+])CCC[NH3+])c1O	ZINC000575439917	387125562	/nfs/dbraw/zinc/12/55/62/387125562.db2.gz	XVZQZXNCWWKESF-SNVBAGLBSA-N	2	0	224.304	1.530	10	10		BDCERP
COc1cccc([C@H]([NH3+])CCC[NH3+])c1O	ZINC000575439873	387125885	/nfs/dbraw/zinc/12/58/85/387125885.db2.gz	WTPKEEBVWRBECX-SECBINFHSA-N	2	0	210.277	1.140	10	10		BDCERP
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O	ZINC000162940206	633042288	/nfs/dbraw/zinc/04/22/88/633042288.db2.gz	UCLKLMVUABXZCR-PWSUYJOCSA-N	2	0	220.316	1.609	10	10		BDCERP
c1cc(C[NH2+]C[C@H]2CC[NH2+]C2)cc2c1OCC2	ZINC000258956374	635229386	/nfs/dbraw/zinc/22/93/86/635229386.db2.gz	RYCGQESSIKFERB-LBPRGKRZSA-N	2	0	232.327	1.321	10	10		BDCERP
Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1	ZINC000310976556	711680594	/nfs/dbraw/zinc/68/05/94/711680594.db2.gz	QJLJEWJSUXQLFH-UBHSHLNASA-N	2	0	246.354	1.870	10	10		BDCERP
[NH3+]C1CC[NH+](Cc2ccc(O)cc2O)CC1	ZINC000020521573	181345312	/nfs/dbraw/zinc/34/53/12/181345312.db2.gz	NWLQTJVVBBLYJQ-UHFFFAOYSA-N	2	0	222.288	1.021	10	10		BDCERP
CN1CCc2cc(C[NH2+]CCC[NH3+])ccc21	ZINC000050286689	173170702	/nfs/dbraw/zinc/17/07/02/173170702.db2.gz	LVQJOSWKKUUDRG-UHFFFAOYSA-N	2	0	219.332	1.117	10	10		BDCERP
C[C@H](c1cc(O)ccc1O)[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245037	177031851	/nfs/dbraw/zinc/03/18/51/177031851.db2.gz	ZRSBYMVUEXILEY-NXEZZACHSA-N	2	0	236.315	1.439	10	10		BDCERP
C[N@H+](Cc1ccccc1O)[C@H]1CCC[NH2+]CC1	ZINC000215952056	591999032	/nfs/dbraw/zinc/99/90/32/591999032.db2.gz	FCEZBUDCZJMKRS-ZDUSSCGKSA-N	2	0	234.343	1.966	10	10		BDCERP
COc1cccc(O)c1[C@@H]([NH3+])CCCC[NH3+]	ZINC000575437951	387112565	/nfs/dbraw/zinc/11/25/65/387112565.db2.gz	CWIWJUWHURECNS-VIFPVBQESA-N	2	0	224.304	1.530	10	10		BDCERP
[NH3+]CCCC[C@H]([NH3+])c1ccc(O)c(O)c1	ZINC000575440045	387128098	/nfs/dbraw/zinc/12/80/98/387128098.db2.gz	ZRWLASAMWZIWCD-VIFPVBQESA-N	2	0	210.277	1.227	10	10		BDCERP
C[C@@H](c1ccccc1O)[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000050245149	176025981	/nfs/dbraw/zinc/02/59/81/176025981.db2.gz	GAKOSSDASKDZCR-WDEREUQCSA-N	2	0	220.316	1.734	10	10		BDCERP
Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1	ZINC000708885222	712202622	/nfs/dbraw/zinc/20/26/22/712202622.db2.gz	WSDXCFFCTGXXNY-YPMHNXCESA-N	2	0	234.343	1.727	10	10		BDCERP
CN(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)C2)cc1	ZINC000037645799	173116112	/nfs/dbraw/zinc/11/61/12/173116112.db2.gz	ZFHTWEIQLHUGLV-AWEZNQCLSA-N	2	0	247.386	1.794	10	10		BDCERP
C[N@@H+](Cc1ccccc1O)C[C@H]1CC[NH+](C)C1	ZINC000156018007	173142691	/nfs/dbraw/zinc/14/26/91/173142691.db2.gz	IODGFIRXTDBSBO-LBPRGKRZSA-N	2	0	234.343	1.776	10	10		BDCERP
COc1ccc(C[NH2+]CCC[NH+](C)C)c(O)c1	ZINC000040905812	175106837	/nfs/dbraw/zinc/10/68/37/175106837.db2.gz	PLDZCABCWBQUOL-UHFFFAOYSA-N	2	0	238.331	1.442	10	10		BDCERP
[NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]12	ZINC000310434378	711776170	/nfs/dbraw/zinc/77/61/70/711776170.db2.gz	QYKIRRFYQHJFIQ-KGYLQXTDSA-N	2	0	232.327	1.561	10	10		BDCERP
COc1ccc([C@@H]([NH3+])CCCC[NH3+])c(O)c1	ZINC000575440393	387133284	/nfs/dbraw/zinc/13/32/84/387133284.db2.gz	SGJSUJBDACPWRZ-NSHDSACASA-N	2	0	224.304	1.530	10	10		BDCERP
Cc1ccc(O)c([C@@H]([NH3+])CCCC[NH3+])c1	ZINC000575440368	387141152	/nfs/dbraw/zinc/14/11/52/387141152.db2.gz	QRIOTEFXTGIZSA-NSHDSACASA-N	2	0	208.305	1.829	10	10		BDCERP
[NH3+]Cc1ccc(N2CC[NH+](C3CC3)CC2)cc1	ZINC000020266006	132330875	/nfs/dbraw/zinc/33/08/75/132330875.db2.gz	UVIAMKRIAWPFFI-UHFFFAOYSA-N	2	0	231.343	1.430	10	10		BDCERP
C[C@@H]([NH3+])CC[NH2+]Cc1ccc2c(c1)CCO2	ZINC000258851032	711743871	/nfs/dbraw/zinc/74/38/71/711743871.db2.gz	XMMRCYWMUXBTDX-SNVBAGLBSA-N	2	0	220.316	1.448	10	10		BDCERP
C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1C[NH3+]	ZINC000708875177	712202138	/nfs/dbraw/zinc/20/21/38/712202138.db2.gz	OCGJOMOXPUERAL-PWSUYJOCSA-N	2	0	220.316	1.419	10	10		BDCERP
CC(C)C[NH+]1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020266015	535105825	/nfs/dbraw/zinc/10/58/25/535105825.db2.gz	VBBQULKXKMNKSY-UHFFFAOYSA-N	2	0	247.386	1.923	10	10		BDCERP
COc1cccc(O)c1[C@H]([NH3+])CCC[NH3+]	ZINC000575437970	388472955	/nfs/dbraw/zinc/47/29/55/388472955.db2.gz	AJWRZXDSKKTZLH-MRVPVSSYSA-N	2	0	210.277	1.140	10	10		BDCERP
CC(C)[NH+]1CCN(c2ccc(C[NH3+])cc2)CC1	ZINC000020265952	132330984	/nfs/dbraw/zinc/33/09/84/132330984.db2.gz	GJUQIRSPDWTWFK-UHFFFAOYSA-N	2	0	233.359	1.676	10	10		BDCERP
Cc1cc(C[NH3+])ccc1N1CC[NH+](C)CC1	ZINC000037733130	132345281	/nfs/dbraw/zinc/34/52/81/132345281.db2.gz	APRRAKPVOROBLU-UHFFFAOYSA-N	2	0	219.332	1.206	10	10		BDCERP
C[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000037647062	173147655	/nfs/dbraw/zinc/14/76/55/173147655.db2.gz	GHPQPMPQPOOPGD-CYBMUJFWSA-N	2	0	246.354	1.663	10	10		BDCERP
C[N@H+](Cc1ccccc1O)[C@@H]1CCC[NH2+]CC1	ZINC000215952013	591998661	/nfs/dbraw/zinc/99/86/61/591998661.db2.gz	FCEZBUDCZJMKRS-CYBMUJFWSA-N	2	0	234.343	1.966	10	10		BDCERP
[NH3+]CCC[C@H]([NH3+])c1cc(Cl)ccc1O	ZINC000575439152	387121828	/nfs/dbraw/zinc/12/18/28/387121828.db2.gz	POZQHMLUMFWCMH-VIFPVBQESA-N	2	0	214.696	1.784	10	10		BDCERP
C[NH+]1CCN(c2ccc(C[NH3+])c(Cl)c2)CC1	ZINC000061845492	173095775	/nfs/dbraw/zinc/09/57/75/173095775.db2.gz	DYVGWYOMMHVMSK-UHFFFAOYSA-N	2	0	239.750	1.551	10	10		BDCERP
COc1ccc(O)c(CN2CCC[C@H]2C[NH3+])c1	ZINC000131367486	591604843	/nfs/dbraw/zinc/60/48/43/591604843.db2.gz	SDUPXDBMIBYNCW-NSHDSACASA-N	2	0	236.315	1.324	10	10		BDCERP
Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1	ZINC000310976557	636747540	/nfs/dbraw/zinc/74/75/40/636747540.db2.gz	QJLJEWJSUXQLFH-YUTCNCBUSA-N	2	0	246.354	1.870	10	10		BDCERP
C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1C[NH3+]	ZINC000708823709	712199880	/nfs/dbraw/zinc/19/98/80/712199880.db2.gz	VYHOOXKTICEUQP-JSGCOSHPSA-N	2	0	247.386	1.779	10	10		BDCERP
Cc1cc(N(C)[C@@H]2CCC[N@H+](C)C2)ccc1C[NH3+]	ZINC000053246446	178099921	/nfs/dbraw/zinc/09/99/21/178099921.db2.gz	QLAGXWJTRPAAEY-OAHLLOKOSA-N	2	0	247.386	1.984	10	10		BDCERP
[NH3+]CC[C@@H]([NH3+])c1cc(Br)ccc1O	ZINC000306787321	351036200	/nfs/dbraw/zinc/03/62/00/351036200.db2.gz	VTWTUIAPGOORLU-MRVPVSSYSA-N	2	0	245.120	1.503	10	10		BDCERP
[NH3+]CCCC[C@@H]([NH3+])c1cccc(O)c1O	ZINC000575439464	387123157	/nfs/dbraw/zinc/12/31/57/387123157.db2.gz	MUOURVPGGOZXJV-SECBINFHSA-N	2	0	210.277	1.227	10	10		BDCERP
C[NH2+]Cc1ccc(OC)c(C[NH+](C)C)c1	ZINC000016942024	173388688	/nfs/dbraw/zinc/38/86/88/173388688.db2.gz	BQNLKUFSWLZTOJ-UHFFFAOYSA-N	2	0	208.305	1.476	10	10		BDCERP
Cc1cc(N(C)[C@H]2CCC[N@H+](C)C2)ccc1C[NH3+]	ZINC000053246448	178100935	/nfs/dbraw/zinc/10/09/35/178100935.db2.gz	QLAGXWJTRPAAEY-HNNXBMFYSA-N	2	0	247.386	1.984	10	10		BDCERP
Cc1cc(N2CCC[C@H]2C[NH+](C)C)ccc1C[NH3+]	ZINC000061645958	178116306	/nfs/dbraw/zinc/11/63/06/178116306.db2.gz	OAQUOIOFRYMNIG-HNNXBMFYSA-N	2	0	247.386	1.984	10	10		BDCERP
CC(C)(C)Oc1ccc(O)c([C@@H]([NH3+])CN)c1	ZINC000072201132	343797247	/nfs/dbraw/zinc/79/72/47/343797247.db2.gz	UTGZOBNFOFYNGD-JTQLQIEISA-N	2	0	224.304	1.528	10	10		BDCERP
COc1cccc(O)c1[C@H]([NH3+])CCCC[NH3+]	ZINC000575438046	387113299	/nfs/dbraw/zinc/11/32/99/387113299.db2.gz	CWIWJUWHURECNS-SECBINFHSA-N	2	0	224.304	1.530	10	10		BDCERP
[NH3+]CCCC[C@@H]([NH3+])c1cc(F)ccc1O	ZINC000575439162	387121649	/nfs/dbraw/zinc/12/16/49/387121649.db2.gz	VQXJSVUHWWRDER-SNVBAGLBSA-N	2	0	212.268	1.660	10	10		BDCERP
[NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]12	ZINC000310434380	632740963	/nfs/dbraw/zinc/74/09/63/632740963.db2.gz	QYKIRRFYQHJFIQ-WCFLWFBJSA-N	2	0	232.327	1.561	10	10		BDCERP
C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1C[NH3+]	ZINC000708890254	712202452	/nfs/dbraw/zinc/20/24/52/712202452.db2.gz	WJQNWTIBOMHSNB-ONGXEEELSA-N	2	0	238.306	1.558	10	10		BDCERP
CC(=O)[n+]1ccc(-c2cc[n+](C(C)=O)cc2)cc1	ZINC000003154265	387540984	/nfs/dbraw/zinc/54/09/84/387540984.db2.gz	NOYRDSNKGDFHJO-UHFFFAOYSA-N	2	0	242.278	1.249	10	10		BDCERP
C[C@@H]([NH3+])c1ccc(N2CC[NH+](C3CC3)CC2)cc1	ZINC000042490518	132352438	/nfs/dbraw/zinc/35/24/38/132352438.db2.gz	FWSJRQBUCGOUKU-GFCCVEGCSA-N	2	0	245.370	1.991	10	10		BDCERP
C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1	ZINC000037647063	173116414	/nfs/dbraw/zinc/11/64/14/173116414.db2.gz	GHPQPMPQPOOPGD-ZDUSSCGKSA-N	2	0	246.354	1.663	10	10		BDCERP
Cc1cc(N2CCC[C@@H]2C[NH+](C)C)ccc1C[NH3+]	ZINC000061645956	178114811	/nfs/dbraw/zinc/11/48/11/178114811.db2.gz	OAQUOIOFRYMNIG-OAHLLOKOSA-N	2	0	247.386	1.984	10	10		BDCERP
C[NH+]1CCN(c2ccc3c(c2)C[NH2+]C3)CC1	ZINC000113680917	370452316	/nfs/dbraw/zinc/45/23/16/370452316.db2.gz	UIOQJKXXYYCLIA-UHFFFAOYSA-N	2	0	217.316	1.042	10	10		BDCERP
C[C@H](Cn1ccnc1)[NH2+]Cc1cccc(F)c1[O-]	ZINC000158716939	384260310	/nfs/dbraw/zinc/26/03/10/384260310.db2.gz	YOLXGWKNUZZRMF-SNVBAGLBSA-N	2	0	249.289	1.906	10	10		BDCERP
[NH3+]CCCC[C@H]([NH3+])c1cc(O)ccc1O	ZINC000575439496	387123123	/nfs/dbraw/zinc/12/31/23/387123123.db2.gz	BDIGKPCBMVXTQU-JTQLQIEISA-N	2	0	210.277	1.227	10	10		BDCERP
[NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]12	ZINC000310434379	711776148	/nfs/dbraw/zinc/77/61/48/711776148.db2.gz	QYKIRRFYQHJFIQ-RAIGVLPGSA-N	2	0	232.327	1.561	10	10		BDCERP
COc1cccc([C@H]([NH3+])CCCC[NH3+])c1O	ZINC000575438096	387112323	/nfs/dbraw/zinc/11/23/23/387112323.db2.gz	DTYOMXFXFXJMOI-SNVBAGLBSA-N	2	0	224.304	1.530	10	10		BDCERP
COc1ccc(O)c([C@H]([NH3+])CCCC[NH3+])c1	ZINC000575440110	387128083	/nfs/dbraw/zinc/12/80/83/387128083.db2.gz	VGBXHPWZPKRONE-LLVKDONJSA-N	2	0	224.304	1.530	10	10		BDCERP
[NH3+]Cc1ccc(N2CC[NH2+]CC2)c(Cl)c1	ZINC000062793157	132388399	/nfs/dbraw/zinc/38/83/99/132388399.db2.gz	CXPFQGLEIJPWCP-UHFFFAOYSA-N	2	0	225.723	1.208	10	10		BDCERP
[NH3+]C[C@@H]1CCCN1Cc1cc(F)ccc1O	ZINC000220305993	592299871	/nfs/dbraw/zinc/29/98/71/592299871.db2.gz	SQGNTHRSYZZBOD-NSHDSACASA-N	2	0	224.279	1.454	10	10		BDCERP
C[C@@H]1CN(Cc2ccccc2O)C[C@@H]1[NH3+]	ZINC000235374764	643384054	/nfs/dbraw/zinc/38/40/54/643384054.db2.gz	IEUNBKBFLVZPCK-KOLCDFICSA-N	2	0	206.289	1.171	10	10		BDCERP
COc1ccc([C@H]([NH3+])CCCC[NH3+])c(O)c1	ZINC000575440064	387127545	/nfs/dbraw/zinc/12/75/45/387127545.db2.gz	SGJSUJBDACPWRZ-LLVKDONJSA-N	2	0	224.304	1.530	10	10		BDCERP
COc1ccc([C@@H]([NH3+])CCC[NH3+])c(O)c1	ZINC000575440196	387127821	/nfs/dbraw/zinc/12/78/21/387127821.db2.gz	NQUPOHFSLGJIBR-JTQLQIEISA-N	2	0	210.277	1.140	10	10		BDCERP
[NH3+]Cc1ccc(N2CCC([NH3+])CC2)cc1	ZINC000521401125	256863106	/nfs/dbraw/zinc/86/31/06/256863106.db2.gz	YGKQBZOWQVKIOG-UHFFFAOYSA-N	2	0	205.305	1.073	10	10		BDCERP
C[N@@H+](Cc1ccc(N)cc1)C[C@H]1CC[NH+](C)C1	ZINC000109357278	173142787	/nfs/dbraw/zinc/14/27/87/173142787.db2.gz	SUYYUPMORWIHTG-ZDUSSCGKSA-N	2	0	233.359	1.652	10	10		BDCERP
CC[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)cc1	ZINC000034824237	535478711	/nfs/dbraw/zinc/47/87/11/535478711.db2.gz	MGZLKXQRFNARHP-UHFFFAOYSA-N	2	0	247.386	1.938	10	10		BDCERP
CC[NH+]1CCN(c2ccc([C@H](C)[NH3+])cc2)CC1	ZINC000019872687	535747426	/nfs/dbraw/zinc/74/74/26/535747426.db2.gz	GKXLNNFWFXBEIT-LBPRGKRZSA-N	2	0	233.359	1.848	10	10		BDCERP
[NH3+]CC[C@H]([NH3+])c1cc(Br)ccc1O	ZINC000306787322	351036180	/nfs/dbraw/zinc/03/61/80/351036180.db2.gz	VTWTUIAPGOORLU-QMMMGPOBSA-N	2	0	245.120	1.503	10	10		BDCERP
[NH3+]CC[C@@H]([NH3+])c1ccc(Br)cc1O	ZINC000306872338	351268054	/nfs/dbraw/zinc/26/80/54/351268054.db2.gz	UWQDANSATBPWSI-MRVPVSSYSA-N	2	0	245.120	1.503	10	10		BDCERP
COc1ccc(O)c([C@H]([NH3+])CCC[NH3+])c1	ZINC000575439935	387125568	/nfs/dbraw/zinc/12/55/68/387125568.db2.gz	OUFWBQKXBJNANV-SNVBAGLBSA-N	2	0	210.277	1.140	10	10		BDCERP
C[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2O)C1	ZINC000037484667	173118514	/nfs/dbraw/zinc/11/85/14/173118514.db2.gz	VKILTNSLHJYYIF-NSHDSACASA-N	2	0	220.316	1.434	10	10		BDCERP