smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](N)(CC)CCCO	238322720	573235521	/nfs/dbraw/zinc/23/55/21/573235521.db2.gz	WGRUJSCTCCZQSR-UHFFFAOYSA-N	1	3	147.242	0.099	10	5		ACBEHO
CC([C@@H]1CC[N@H+](C)C1)[N+](=O)[O-]	258490376	573286510	/nfs/dbraw/zinc/28/65/10/573286510.db2.gz	KBGLXBWCTIWXKO-NKWVEPMBSA-N	1	3	158.201	0.603	10	5		ACBEHO
CC([C@@H]1CC[N@@H+](C)C1)[N+](=O)[O-]	258490376	573286514	/nfs/dbraw/zinc/28/65/14/573286514.db2.gz	KBGLXBWCTIWXKO-NKWVEPMBSA-N	1	3	158.201	0.603	10	5		ACBEHO
CC([C@H]1CCC[NH2+]1)[N+](=O)[O-]	258454953	573910241	/nfs/dbraw/zinc/91/02/41/573910241.db2.gz	GKWLKTMSEJVVHV-PHDIDXHHSA-N	1	3	144.174	0.404	10	5		ACBEHO
CC([C@H]1CCC[NH2+]1)[N+](=O)[O-]	258454950	573910566	/nfs/dbraw/zinc/91/05/66/573910566.db2.gz	GKWLKTMSEJVVHV-NTSWFWBYSA-N	1	3	144.174	0.404	10	5		ACBEHO
CC([C@@H]1CCC[NH2+]1)[N+](=O)[O-]	258454957	573913553	/nfs/dbraw/zinc/91/35/53/573913553.db2.gz	GKWLKTMSEJVVHV-WDSKDSINSA-N	1	3	144.174	0.404	10	5		ACBEHO
CCC(C[C@@H]1C[NH2+]CCO1)[N+](=O)[O-]	144955967	571874373	/nfs/dbraw/zinc/87/43/73/571874373.db2.gz	FNHXAABLBSEWNG-HTQZYQBOSA-N	1	3	188.227	0.420	10	5		ACBEHO
C[N+](C)(C)C[C@@H]1CCCN1	34588871	572098203	/nfs/dbraw/zinc/09/82/03/572098203.db2.gz	FFMPONWPWSWZHW-QMMMGPOBSA-N	1	3	143.254	0.445	10	5		ACBEHO
CC(C[C@@H]1CCC[NH2+]1)[N+](=O)[O-]	258584663	573201079	/nfs/dbraw/zinc/20/10/79/573201079.db2.gz	SSJBHTAPHKYCIT-RQJHMYQMSA-N	1	3	158.201	0.794	10	5		ACBEHO
CC([C@H]1CC[N@H+](C)C1)[N+](=O)[O-]	258490374	573285730	/nfs/dbraw/zinc/28/57/30/573285730.db2.gz	KBGLXBWCTIWXKO-BQBZGAKWSA-N	1	3	158.201	0.603	10	5		ACBEHO
CC([C@H]1CC[N@@H+](C)C1)[N+](=O)[O-]	258490374	573285733	/nfs/dbraw/zinc/28/57/33/573285733.db2.gz	KBGLXBWCTIWXKO-BQBZGAKWSA-N	1	3	158.201	0.603	10	5		ACBEHO
CC([C@@H]1CC[N@H+](C)C1)[N+](=O)[O-]	258490377	573288785	/nfs/dbraw/zinc/28/87/85/573288785.db2.gz	KBGLXBWCTIWXKO-RNFRBKRXSA-N	1	3	158.201	0.603	10	5		ACBEHO
CC([C@@H]1CC[N@@H+](C)C1)[N+](=O)[O-]	258490377	573288790	/nfs/dbraw/zinc/28/87/90/573288790.db2.gz	KBGLXBWCTIWXKO-RNFRBKRXSA-N	1	3	158.201	0.603	10	5		ACBEHO
CC([C@H]1CC[N@H+](C)C1)[N+](=O)[O-]	258490379	573289122	/nfs/dbraw/zinc/28/91/22/573289122.db2.gz	KBGLXBWCTIWXKO-RQJHMYQMSA-N	1	3	158.201	0.603	10	5		ACBEHO
CC([C@H]1CC[N@@H+](C)C1)[N+](=O)[O-]	258490379	573289128	/nfs/dbraw/zinc/28/91/28/573289128.db2.gz	KBGLXBWCTIWXKO-RQJHMYQMSA-N	1	3	158.201	0.603	10	5		ACBEHO
CC(C)(N)C[N+]1(C)CCOCC1	118253437	573391207	/nfs/dbraw/zinc/39/12/07/573391207.db2.gz	PTLLJZSDELBNJF-UHFFFAOYSA-N	1	3	173.280	0.201	10	5		ACBEHO
CC([C@@H]1CCC[NH2+]1)[N+](=O)[O-]	258454955	573911812	/nfs/dbraw/zinc/91/18/12/573911812.db2.gz	GKWLKTMSEJVVHV-RITPCOANSA-N	1	3	144.174	0.404	10	5		ACBEHO
NCc1cc([N+](=O)[O-])ccc1C[NH3+]	44249113	169223207	/nfs/dbraw/zinc/22/32/07/169223207.db2.gz	XECYKVIRLWJOFE-UHFFFAOYSA-N	1	3	181.195	0.512	10	5		ACBEHO
NCc1c(C[NH3+])cccc1[N+](=O)[O-]	44248785	169224991	/nfs/dbraw/zinc/22/49/91/169224991.db2.gz	FKCODRXBYHYTMG-UHFFFAOYSA-N	1	3	181.195	0.512	10	5		ACBEHO
CCCN(CC)CC[N+](C)(C)N	38611751	343189818	/nfs/dbraw/zinc/18/98/18/343189818.db2.gz	XQBWNRMUGYGZLM-UHFFFAOYSA-N	1	3	174.312	0.668	10	5		ACBEHO
C[N+]1(N)CCCCC1	5377564	717099513	/nfs/dbraw/zinc/09/95/13/717099513.db2.gz	WVBOBQXAPLIVOV-UHFFFAOYSA-N	1	3	115.200	0.491	10	5		ACBEHO
C[C@@H](N)C[N+](C)(C)C	59710137	717131413	/nfs/dbraw/zinc/13/14/13/717131413.db2.gz	KIGGBCQQPRWPPJ-ZCFIWIBFSA-N	1	3	117.216	0.040	10	5		ACBEHO
C[C@H](N)C[N+](C)(C)C	59710136	717131475	/nfs/dbraw/zinc/13/14/75/717131475.db2.gz	KIGGBCQQPRWPPJ-LURJTMIESA-N	1	3	117.216	0.040	10	5		ACBEHO
CC(C)(N)C[N+](C)(C)C	145551533	717153244	/nfs/dbraw/zinc/15/32/44/717153244.db2.gz	SNZKBDRHWFLYQQ-UHFFFAOYSA-N	1	3	131.243	0.430	10	5		ACBEHO
CC(C[C@H]1CCC[NH2+]1)[N+](=O)[O-]	258584648	573202848	/nfs/dbraw/zinc/20/28/48/573202848.db2.gz	SSJBHTAPHKYCIT-RNFRBKRXSA-N	1	3	158.201	0.794	10	5		ACBEHO