smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1	ZINC000216913404	533292800	/nfs/dbraw/zinc/29/28/00/533292800.db2.gz	ZACSKUUBJCLSOP-LBPRGKRZSA-N	1	1	268.357	0.740	40	70		CCIBMO
C[NH+]1CCN(C(=O)Cc2noc(C3CC3)n2)CC1	ZINC000216844876	262341459	/nfs/dbraw/zinc/34/14/59/262341459.db2.gz	PLXKTUBLFSLSSF-UHFFFAOYSA-N	1	1	250.302	0.264	40	70		CCIBMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC=O	ZINC000216844202	262341280	/nfs/dbraw/zinc/34/12/80/262341280.db2.gz	NZIKSUHNSUNERX-UHFFFAOYSA-N	1	1	277.324	0.651	40	70		CCIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000216782463	570306875	/nfs/dbraw/zinc/30/68/75/570306875.db2.gz	ROSAGKOZICWBFZ-SNVBAGLBSA-N	1	1	297.380	0.614	40	70		CCIBMO
COC[C@@H](O)C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000217381287	570307937	/nfs/dbraw/zinc/30/79/37/570307937.db2.gz	YFEVISBLYMKCHH-XQQFMLRXSA-N	1	1	278.352	0.275	40	70		CCIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2ccc(S(N)(=O)=O)cc2)C1	ZINC000216782507	570306826	/nfs/dbraw/zinc/30/68/26/570306826.db2.gz	ROSAGKOZICWBFZ-JTQLQIEISA-N	1	1	297.380	0.614	40	70		CCIBMO
CC(C)c1nc(CC(=O)N2CC[NH+](C)CC2)no1	ZINC000216844834	262341191	/nfs/dbraw/zinc/34/11/91/262341191.db2.gz	FBMVPPDYFINBGL-UHFFFAOYSA-N	1	1	252.318	0.510	40	70		CCIBMO
C[N@H+]1CCC[C@H](C(=O)N2CCC(C(N)=O)CC2)C1	ZINC000216907783	397433410	/nfs/dbraw/zinc/43/34/10/397433410.db2.gz	UWCMFRQAYILOMA-NSHDSACASA-N	1	1	253.346	0.052	40	70		CCIBMO
C[N@H+]1CCC[C@@H](C(=O)NCCCN2CCOCC2)C1	ZINC000216910626	262341712	/nfs/dbraw/zinc/34/17/12/262341712.db2.gz	BAJBWVIPTAQAAU-CYBMUJFWSA-N	1	1	269.389	0.167	40	70		CCIBMO
COc1cc(OC)cc(OCC(=O)N2CC[NH+](C)CC2)c1	ZINC000217010388	351944151	/nfs/dbraw/zinc/94/41/51/351944151.db2.gz	ANDNIHXURVGFJV-UHFFFAOYSA-N	1	1	294.351	0.857	40	70		CCIBMO
NC(N)=CC(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000217750031	351950443	/nfs/dbraw/zinc/95/04/43/351950443.db2.gz	ZCROAMBSHADRTL-UHFFFAOYSA-N	1	1	260.341	0.657	40	70		CCIBMO
C[N@H+]1CCC[C@@H](C(=O)N2CCC(C(N)=O)CC2)C1	ZINC000216907752	397433469	/nfs/dbraw/zinc/43/34/69/397433469.db2.gz	UWCMFRQAYILOMA-LLVKDONJSA-N	1	1	253.346	0.052	40	70		CCIBMO
C[N@H+]1CCC[C@H](C(=O)NCCCN2CCOCC2)C1	ZINC000216910655	262341960	/nfs/dbraw/zinc/34/19/60/262341960.db2.gz	BAJBWVIPTAQAAU-ZDUSSCGKSA-N	1	1	269.389	0.167	40	70		CCIBMO
COC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000216913380	533291138	/nfs/dbraw/zinc/29/11/38/533291138.db2.gz	ZACSKUUBJCLSOP-GFCCVEGCSA-N	1	1	268.357	0.740	40	70		CCIBMO