smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1C[C@H]([NH2+]CCCN2CCCC2=O)CC[N@H+]1C	ZINC000159472262	278025357	/nfs/dbraw/zinc/02/53/57/278025357.db2.gz	YXUBUMYJFSWJQS-CHWSQXEVSA-N	2	1	253.390	1.071	10	70		CDIEMP
CC[NH+](CC)[C@@H](C)C[NH2+]C1CCC(NC(C)=O)CC1	ZINC000161260698	520829624	/nfs/dbraw/zinc/82/96/24/520829624.db2.gz	KQCSUHJASMCTLJ-GRTSSRMGSA-N	2	1	269.433	1.754	10	70		CDIEMP
COCC[N@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1C	ZINC000161342944	523852669	/nfs/dbraw/zinc/85/26/69/523852669.db2.gz	FLPCDUCKNDSFRO-INIZCTEOSA-N	2	1	283.460	1.515	10	70		CDIEMP
CC(C)[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217039820	538466239	/nfs/dbraw/zinc/46/62/39/538466239.db2.gz	SRDQLGNKFBJNCL-ZNMIVQPWSA-N	2	1	281.444	1.611	10	70		CDIEMP
COC(C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)OC	ZINC000161424943	522534388	/nfs/dbraw/zinc/53/43/88/522534388.db2.gz	BNEWLOOAQTWHAX-GFCCVEGCSA-N	2	1	253.346	1.275	10	70		CDIEMP
COC(C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C)OC	ZINC000161424943	522534398	/nfs/dbraw/zinc/53/43/98/522534398.db2.gz	BNEWLOOAQTWHAX-GFCCVEGCSA-N	2	1	253.346	1.275	10	70		CDIEMP
CC[N@H+]1CCC[C@@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1	ZINC000217921637	140164300	/nfs/dbraw/zinc/16/43/00/140164300.db2.gz	GNQPGEJXTKWFNX-HUUCEWRRSA-N	2	1	275.396	1.677	10	70		CDIEMP
CC[NH+](CC)[C@H](C)C[NH2+]C1CCC(NC(C)=O)CC1	ZINC000161260838	520858956	/nfs/dbraw/zinc/85/89/56/520858956.db2.gz	KQCSUHJASMCTLJ-LRVUVFPRSA-N	2	1	269.433	1.754	10	70		CDIEMP
C[C@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)CC[N@H+]1C	ZINC000159472611	361709188	/nfs/dbraw/zinc/70/91/88/361709188.db2.gz	YXUBUMYJFSWJQS-STQMWFEESA-N	2	1	253.390	1.071	10	70		CDIEMP
CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1CCCC[C@H]1C	ZINC000161269811	391579990	/nfs/dbraw/zinc/57/99/90/391579990.db2.gz	KQLVYUAAYILVLR-CYBMUJFWSA-N	2	1	269.433	1.742	10	70		CDIEMP
CCC[C@H](C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1)[NH+](C)C	ZINC000160924914	362211556	/nfs/dbraw/zinc/21/15/56/362211556.db2.gz	RKRLXKUARROISH-HUUCEWRRSA-N	2	1	299.459	1.286	10	70		CDIEMP
CCC[C@H](C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1)[NH+](C)C	ZINC000160924914	362211559	/nfs/dbraw/zinc/21/15/59/362211559.db2.gz	RKRLXKUARROISH-HUUCEWRRSA-N	2	1	299.459	1.286	10	70		CDIEMP
CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C	ZINC000161251528	519613809	/nfs/dbraw/zinc/61/38/09/519613809.db2.gz	YWQQECGFOICJRQ-STQMWFEESA-N	2	1	255.406	1.172	10	70		CDIEMP
CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000161251528	519613814	/nfs/dbraw/zinc/61/38/14/519613814.db2.gz	YWQQECGFOICJRQ-STQMWFEESA-N	2	1	255.406	1.172	10	70		CDIEMP
CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161251528	519613822	/nfs/dbraw/zinc/61/38/22/519613822.db2.gz	YWQQECGFOICJRQ-STQMWFEESA-N	2	1	255.406	1.172	10	70		CDIEMP
CC[C@@](C)(O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000161013780	391578147	/nfs/dbraw/zinc/57/81/47/391578147.db2.gz	SVCCHAUSCRFUNI-JKSUJKDBSA-N	2	1	283.460	1.249	10	70		CDIEMP
C[C@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[N@H+]1C	ZINC000161418331	364491039	/nfs/dbraw/zinc/49/10/39/364491039.db2.gz	IDUILYLHJRZULI-CWRNSKLLSA-N	2	1	262.397	1.835	10	70		CDIEMP
CCC[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)[NH+](C)C	ZINC000159796301	292769364	/nfs/dbraw/zinc/76/93/64/292769364.db2.gz	VMWNEXMXWNWOAG-ZDUSSCGKSA-N	2	1	255.406	1.269	10	70		CDIEMP
CCC[C@@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+](C)C	ZINC000161225635	364465703	/nfs/dbraw/zinc/46/57/03/364465703.db2.gz	RPMUPZWKNNCZSA-QWHCGFSZSA-N	2	1	281.400	1.729	10	70		CDIEMP
CC[NH+]1CCC([NH2+][C@@H]2CCCc3[nH]c(=O)ccc32)CC1	ZINC000160992492	276151477	/nfs/dbraw/zinc/15/14/77/276151477.db2.gz	RBNYWDOZBDWQKT-CQSZACIVSA-N	2	1	275.396	1.826	10	70		CDIEMP
CC(C)[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1	ZINC000161234921	377502933	/nfs/dbraw/zinc/50/29/33/377502933.db2.gz	CZQZXCJBCGKKFO-JSGCOSHPSA-N	2	1	267.417	1.173	10	70		CDIEMP
C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[N@H+]1C	ZINC000161418428	364491116	/nfs/dbraw/zinc/49/11/16/364491116.db2.gz	IDUILYLHJRZULI-KBMXLJTQSA-N	2	1	262.397	1.835	10	70		CDIEMP
OC1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCCC1	ZINC000161067550	527518413	/nfs/dbraw/zinc/51/84/13/527518413.db2.gz	IPNSGJRQSYLSFM-YIONKMFJSA-N	2	1	252.402	1.850	10	70		CDIEMP
CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](CC)CC1	ZINC000159621481	361757029	/nfs/dbraw/zinc/75/70/29/361757029.db2.gz	LPMGJFZISYMNNH-CQSZACIVSA-N	2	1	284.448	1.454	10	70		CDIEMP
C[C@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[N@H+]1C	ZINC000161418585	364491094	/nfs/dbraw/zinc/49/10/94/364491094.db2.gz	IDUILYLHJRZULI-BPUTZDHNSA-N	2	1	262.397	1.835	10	70		CDIEMP
CC[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)[C@@H]1CCSC1	ZINC000159974743	276115867	/nfs/dbraw/zinc/11/58/67/276115867.db2.gz	OBHDEHICYALZCH-CHWSQXEVSA-N	2	1	287.473	1.270	10	70		CDIEMP
CC[C@](C)(O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000161013902	281291829	/nfs/dbraw/zinc/29/18/29/281291829.db2.gz	SVCCHAUSCRFUNI-CVEARBPZSA-N	2	1	283.460	1.249	10	70		CDIEMP
CCC[C@H](C(=O)N1CC[NH+](C(C)C)CC1)[NH+](C)C	ZINC000159796417	292769236	/nfs/dbraw/zinc/76/92/36/292769236.db2.gz	VMWNEXMXWNWOAG-CYBMUJFWSA-N	2	1	255.406	1.269	10	70		CDIEMP
c1ncn(C[C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000161360667	526616066	/nfs/dbraw/zinc/61/60/66/526616066.db2.gz	FXPZTNRKCOPOEA-MRXNPFEDSA-N	2	1	291.443	1.866	10	70		CDIEMP
CC(C)[N@@H+](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2	ZINC000161365824	362799117	/nfs/dbraw/zinc/79/91/17/362799117.db2.gz	RXBJLTQFCDGAOV-FUNVUKJBSA-N	2	1	253.390	1.068	10	70		CDIEMP
CC[C@@](C)(O)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1	ZINC000161014039	391577992	/nfs/dbraw/zinc/57/79/92/391577992.db2.gz	SVCCHAUSCRFUNI-HZPDHXFCSA-N	2	1	283.460	1.249	10	70		CDIEMP
COC(C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C)OC	ZINC000161424819	364492514	/nfs/dbraw/zinc/49/25/14/364492514.db2.gz	BNEWLOOAQTWHAX-LBPRGKRZSA-N	2	1	253.346	1.275	10	70		CDIEMP
COC(C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C)OC	ZINC000161424819	364492519	/nfs/dbraw/zinc/49/25/19/364492519.db2.gz	BNEWLOOAQTWHAX-LBPRGKRZSA-N	2	1	253.346	1.275	10	70		CDIEMP
CCOC[C@@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000217183717	140162679	/nfs/dbraw/zinc/16/26/79/140162679.db2.gz	RSJSLXSUQLFPLP-IRXDYDNUSA-N	2	1	298.471	1.972	10	70		CDIEMP
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C	ZINC000159716536	363221511	/nfs/dbraw/zinc/22/15/11/363221511.db2.gz	MCLPPCCTUSNRLO-LSDHHAIUSA-N	2	1	296.459	1.500	10	70		CDIEMP
CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[N@@H+]1C	ZINC000159716536	363221514	/nfs/dbraw/zinc/22/15/14/363221514.db2.gz	MCLPPCCTUSNRLO-LSDHHAIUSA-N	2	1	296.459	1.500	10	70		CDIEMP
C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccccc2)CC[N@H+]1C	ZINC000161418189	364491176	/nfs/dbraw/zinc/49/11/76/364491176.db2.gz	IDUILYLHJRZULI-VNQPRFMTSA-N	2	1	262.397	1.835	10	70		CDIEMP
COCC[N@H+]1CCN(Cc2cnc3ccccn23)C[C@H]1C	ZINC000159949261	361960978	/nfs/dbraw/zinc/96/09/78/361960978.db2.gz	GVVBKWVYYXIZDV-CQSZACIVSA-N	2	1	288.395	1.487	10	70		CDIEMP
C[C@@H]1C[C@@H]([NH2+]CCCN2CCCC2=O)CC[N@H+]1C	ZINC000159472495	361709235	/nfs/dbraw/zinc/70/92/35/361709235.db2.gz	YXUBUMYJFSWJQS-OLZOCXBDSA-N	2	1	253.390	1.071	10	70		CDIEMP
C[NH+](C)[C@H](C[NH2+]C1CCN(C(N)=O)CC1)C1CCCCC1	ZINC000160394631	292786348	/nfs/dbraw/zinc/78/63/48/292786348.db2.gz	HPHFJGMETURZMX-OAHLLOKOSA-N	2	1	296.459	1.630	10	70		CDIEMP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1	ZINC000161120060	519691560	/nfs/dbraw/zinc/69/15/60/519691560.db2.gz	MZRIQMJBPBDLCB-ZBFHGGJFSA-N	2	1	295.471	1.952	10	70		CDIEMP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C2CC[NH+](C)CC2)C1	ZINC000161234794	377502885	/nfs/dbraw/zinc/50/28/85/377502885.db2.gz	CZQZXCJBCGKKFO-OCCSQVGLSA-N	2	1	267.417	1.173	10	70		CDIEMP
C[C@@H](O)C[N@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1C	ZINC000161342021	287094875	/nfs/dbraw/zinc/09/48/75/287094875.db2.gz	QNHAATQFHGABLE-HZPDHXFCSA-N	2	1	283.460	1.249	10	70		CDIEMP
CCC[C@@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C	ZINC000159539927	362236229	/nfs/dbraw/zinc/23/62/29/362236229.db2.gz	IKBHIVRNGQZDKR-ZNMIVQPWSA-N	2	1	299.459	1.332	10	70		CDIEMP
CC[C@](C)(O)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1	ZINC000161013636	281291800	/nfs/dbraw/zinc/29/18/00/281291800.db2.gz	SVCCHAUSCRFUNI-HOTGVXAUSA-N	2	1	283.460	1.249	10	70		CDIEMP
C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468761	524946507	/nfs/dbraw/zinc/94/65/07/524946507.db2.gz	FKAADFCECAUUST-SJORKVTESA-N	2	1	295.471	1.515	10	70		CDIEMP
CC[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCOC	ZINC000161343112	358798765	/nfs/dbraw/zinc/79/87/65/358798765.db2.gz	UDRQWZWYQUKAFH-QGZVFWFLSA-N	2	1	297.487	1.905	10	70		CDIEMP
c1ncn(C[C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1	ZINC000161360793	526616225	/nfs/dbraw/zinc/61/62/25/526616225.db2.gz	FXPZTNRKCOPOEA-INIZCTEOSA-N	2	1	291.443	1.866	10	70		CDIEMP
NC(=O)C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000160905352	362540146	/nfs/dbraw/zinc/54/01/46/362540146.db2.gz	BVKRQVCBSKXHLL-AWEZNQCLSA-N	2	1	267.417	1.592	10	70		CDIEMP
C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](C3CC3)CC2)cc1	ZINC000161424697	292805957	/nfs/dbraw/zinc/80/59/57/292805957.db2.gz	FHRPLSGMTJJSAB-UHFFFAOYSA-N	2	1	287.407	1.668	10	70		CDIEMP
CC[NH+](CC)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161385828	377614265	/nfs/dbraw/zinc/61/42/65/377614265.db2.gz	TZXDWLJWZVSQMP-STQMWFEESA-N	2	1	255.406	1.173	10	70		CDIEMP
NC(=O)C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1	ZINC000160905175	362539784	/nfs/dbraw/zinc/53/97/84/362539784.db2.gz	BVKRQVCBSKXHLL-CQSZACIVSA-N	2	1	267.417	1.592	10	70		CDIEMP
C[C@H]1C[C@H]([NH2+]CCCN2CCCC2=O)CC[N@H+]1C	ZINC000159472381	361709915	/nfs/dbraw/zinc/70/99/15/361709915.db2.gz	YXUBUMYJFSWJQS-QWHCGFSZSA-N	2	1	253.390	1.071	10	70		CDIEMP
CCC(CC)(C[NH3+])C(=O)NCC[N@H+]1CCCC[C@@H]1C	ZINC000161269678	391580529	/nfs/dbraw/zinc/58/05/29/391580529.db2.gz	KQLVYUAAYILVLR-ZDUSSCGKSA-N	2	1	269.433	1.742	10	70		CDIEMP
CCC[C@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+](C)C	ZINC000161225754	276282297	/nfs/dbraw/zinc/28/22/97/276282297.db2.gz	RPMUPZWKNNCZSA-CHWSQXEVSA-N	2	1	281.400	1.729	10	70		CDIEMP
CC[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1C[C@@H](C)O	ZINC000161342417	281166939	/nfs/dbraw/zinc/16/69/39/281166939.db2.gz	JKPFHZXQOSNHIA-SJORKVTESA-N	2	1	297.487	1.639	10	70		CDIEMP
CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](C(C)C)C[C@@H]1C	ZINC000161347630	276362314	/nfs/dbraw/zinc/36/23/14/276362314.db2.gz	IXSLEUWUYDQAPY-RRFJBIMHSA-N	2	1	281.444	1.706	10	70		CDIEMP
CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C	ZINC000161347630	276362316	/nfs/dbraw/zinc/36/23/16/276362316.db2.gz	IXSLEUWUYDQAPY-RRFJBIMHSA-N	2	1	281.444	1.706	10	70		CDIEMP
CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161347630	276362317	/nfs/dbraw/zinc/36/23/17/276362317.db2.gz	IXSLEUWUYDQAPY-RRFJBIMHSA-N	2	1	281.444	1.706	10	70		CDIEMP
CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1C	ZINC000159716715	363213196	/nfs/dbraw/zinc/21/31/96/363213196.db2.gz	MCLPPCCTUSNRLO-HUUCEWRRSA-N	2	1	296.459	1.500	10	70		CDIEMP
CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@@H+]1C	ZINC000159716715	363213198	/nfs/dbraw/zinc/21/31/98/363213198.db2.gz	MCLPPCCTUSNRLO-HUUCEWRRSA-N	2	1	296.459	1.500	10	70		CDIEMP
CC(C)C[NH+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[N@H+]1C	ZINC000159716715	363213200	/nfs/dbraw/zinc/21/32/00/363213200.db2.gz	MCLPPCCTUSNRLO-HUUCEWRRSA-N	2	1	296.459	1.500	10	70		CDIEMP
C[NH+](C)[C@@H](C[NH2+]C1CCN(C(N)=O)CC1)C1CCCCC1	ZINC000160394471	363843984	/nfs/dbraw/zinc/84/39/84/363843984.db2.gz	HPHFJGMETURZMX-HNNXBMFYSA-N	2	1	296.459	1.630	10	70		CDIEMP
CC[C@@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1C[C@@H](C)O	ZINC000161342296	391589507	/nfs/dbraw/zinc/58/95/07/391589507.db2.gz	JKPFHZXQOSNHIA-IAGOWNOFSA-N	2	1	297.487	1.639	10	70		CDIEMP
C[C@@H](O)C[N@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1C	ZINC000161342110	287095188	/nfs/dbraw/zinc/09/51/88/287095188.db2.gz	QNHAATQFHGABLE-JKSUJKDBSA-N	2	1	283.460	1.249	10	70		CDIEMP
O=C(N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1	ZINC000217186330	284052209	/nfs/dbraw/zinc/05/22/09/284052209.db2.gz	KHROXDQOEUOZJL-NEBZKDRISA-N	2	1	277.412	1.260	10	70		CDIEMP
CCC[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+](C)C	ZINC000161225397	364465450	/nfs/dbraw/zinc/46/54/50/364465450.db2.gz	RPMUPZWKNNCZSA-STQMWFEESA-N	2	1	281.400	1.729	10	70		CDIEMP
CC[C@H]1CN(CCC[NH+]2CCCCC2)CC[N@H+]1CCOC	ZINC000161343250	523275829	/nfs/dbraw/zinc/27/58/29/523275829.db2.gz	UDRQWZWYQUKAFH-KRWDZBQOSA-N	2	1	297.487	1.905	10	70		CDIEMP
CN(C)C(=O)C1CC[NH+](CCC[NH+]2CCCCC2)CC1	ZINC000161217828	523971365	/nfs/dbraw/zinc/97/13/65/523971365.db2.gz	HCTGPWPNXDXDHC-UHFFFAOYSA-N	2	1	281.444	1.663	10	70		CDIEMP
CCC[C@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C	ZINC000159540061	362236264	/nfs/dbraw/zinc/23/62/64/362236264.db2.gz	IKBHIVRNGQZDKR-QLFBSQMISA-N	2	1	299.459	1.332	10	70		CDIEMP
CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)[C@H](C)C1	ZINC000160507755	364365042	/nfs/dbraw/zinc/36/50/42/364365042.db2.gz	ATBNIXWIJKLRSP-QPSCCSFWSA-N	2	1	254.418	1.857	10	70		CDIEMP
CCC[C@@H](C(=O)N1CC[N@H+](CCOC)[C@H](CC)C1)[NH+](C)C	ZINC000160924817	362211878	/nfs/dbraw/zinc/21/18/78/362211878.db2.gz	RKRLXKUARROISH-CABCVRRESA-N	2	1	299.459	1.286	10	70		CDIEMP
CCC[C@@H](C(=O)N1CC[N@@H+](CCOC)[C@H](CC)C1)[NH+](C)C	ZINC000160924817	362211881	/nfs/dbraw/zinc/21/18/81/362211881.db2.gz	RKRLXKUARROISH-CABCVRRESA-N	2	1	299.459	1.286	10	70		CDIEMP
CCC[C@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+](C)C	ZINC000161225518	364465783	/nfs/dbraw/zinc/46/57/83/364465783.db2.gz	RPMUPZWKNNCZSA-OLZOCXBDSA-N	2	1	281.400	1.729	10	70		CDIEMP
CCOC[C@H](O)C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1	ZINC000217183722	370416981	/nfs/dbraw/zinc/41/69/81/370416981.db2.gz	RSJSLXSUQLFPLP-DLBZAZTESA-N	2	1	298.471	1.972	10	70		CDIEMP
CC(C)[N@@H+](C)CC(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C	ZINC000161251425	391586381	/nfs/dbraw/zinc/58/63/81/391586381.db2.gz	YWQQECGFOICJRQ-OLZOCXBDSA-N	2	1	255.406	1.172	10	70		CDIEMP
CC(C)[NH+](C)CC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C	ZINC000161251425	391586382	/nfs/dbraw/zinc/58/63/82/391586382.db2.gz	YWQQECGFOICJRQ-OLZOCXBDSA-N	2	1	255.406	1.172	10	70		CDIEMP
CC(C)[NH+](C)CC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000161251425	391586390	/nfs/dbraw/zinc/58/63/90/391586390.db2.gz	YWQQECGFOICJRQ-OLZOCXBDSA-N	2	1	255.406	1.172	10	70		CDIEMP
COCC[N@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1C	ZINC000161342831	523853357	/nfs/dbraw/zinc/85/33/57/523853357.db2.gz	FLPCDUCKNDSFRO-MRXNPFEDSA-N	2	1	283.460	1.515	10	70		CDIEMP
[NH3+]CCCNC(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000160144055	377051325	/nfs/dbraw/zinc/05/13/25/377051325.db2.gz	BCBFNZMXIXHDLQ-AWEZNQCLSA-N	2	1	293.386	1.503	10	70		CDIEMP
CC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217026140	345141784	/nfs/dbraw/zinc/14/17/84/345141784.db2.gz	FOTNEYRVDPMQCH-MJBXVCDLSA-N	2	1	267.417	1.365	10	70		CDIEMP
CCNC(=O)CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000160913041	521735860	/nfs/dbraw/zinc/73/58/60/521735860.db2.gz	XEIGOARUYRBLJO-AWEZNQCLSA-N	2	1	290.411	1.650	10	70		CDIEMP
CCNC(=O)CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1	ZINC000160913041	521735861	/nfs/dbraw/zinc/73/58/61/521735861.db2.gz	XEIGOARUYRBLJO-AWEZNQCLSA-N	2	1	290.411	1.650	10	70		CDIEMP
CC[N@H+]1CCC[C@H](NC(=O)C[C@@H]([NH3+])c2ccccc2)C1	ZINC000217921554	535574860	/nfs/dbraw/zinc/57/48/60/535574860.db2.gz	GNQPGEJXTKWFNX-LSDHHAIUSA-N	2	1	275.396	1.677	10	70		CDIEMP
COC(C[NH+]1CCC(Cc2[nH+]ccn2C)CC1)OC	ZINC000160969115	522529959	/nfs/dbraw/zinc/52/99/59/522529959.db2.gz	WBOUJDARETYJMU-UHFFFAOYSA-N	2	1	267.373	1.294	10	70		CDIEMP
CCNC(=O)CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000160912907	521735763	/nfs/dbraw/zinc/73/57/63/521735763.db2.gz	XEIGOARUYRBLJO-CQSZACIVSA-N	2	1	290.411	1.650	10	70		CDIEMP
CCNC(=O)CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1	ZINC000160912907	521735765	/nfs/dbraw/zinc/73/57/65/521735765.db2.gz	XEIGOARUYRBLJO-CQSZACIVSA-N	2	1	290.411	1.650	10	70		CDIEMP
C[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@@H]1N1CCOCC1	ZINC000161468883	524588586	/nfs/dbraw/zinc/58/85/86/524588586.db2.gz	FKAADFCECAUUST-IRXDYDNUSA-N	2	1	295.471	1.515	10	70		CDIEMP
CC(C)[N@@H+]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1	ZINC000161120164	519695796	/nfs/dbraw/zinc/69/57/96/519695796.db2.gz	MZRIQMJBPBDLCB-HOCLYGCPSA-N	2	1	295.471	1.952	10	70		CDIEMP
CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000161385702	377614060	/nfs/dbraw/zinc/61/40/60/377614060.db2.gz	TZXDWLJWZVSQMP-QWHCGFSZSA-N	2	1	255.406	1.173	10	70		CDIEMP
CC[NH+]1CCC([NH2+][C@H]2CCCc3[nH]c(=O)ccc32)CC1	ZINC000160992603	276152041	/nfs/dbraw/zinc/15/20/41/276152041.db2.gz	RBNYWDOZBDWQKT-AWEZNQCLSA-N	2	1	275.396	1.826	10	70		CDIEMP
[NH3+]CCCNC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1	ZINC000160144204	377050458	/nfs/dbraw/zinc/05/04/58/377050458.db2.gz	BCBFNZMXIXHDLQ-CQSZACIVSA-N	2	1	293.386	1.503	10	70		CDIEMP