smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(C(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000216921260	530047896	/nfs/dbraw/zinc/04/78/96/530047896.db2.gz	YCLLHHJJPBLSSO-UHFFFAOYSA-N	2	1	269.389	0.167	40	70		CCIBMP
CN1CC[NH+](CCCNC(=O)C2CC[NH+](C)CC2)CC1	ZINC000216922331	389134058	/nfs/dbraw/zinc/13/40/58/389134058.db2.gz	RZDLRSPAWNIYHS-UHFFFAOYSA-N	2	1	282.432	0.082	40	70		CCIBMP
C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+](C)C2)CC1	ZINC000216913327	529771263	/nfs/dbraw/zinc/77/12/63/529771263.db2.gz	OXUMRBZOTRRGBE-AWEZNQCLSA-N	2	1	282.432	0.082	40	70		CCIBMP
CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+](C)C2)CC1	ZINC000216913327	529771264	/nfs/dbraw/zinc/77/12/64/529771264.db2.gz	OXUMRBZOTRRGBE-AWEZNQCLSA-N	2	1	282.432	0.082	40	70		CCIBMP
CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+](C)C2)CC1	ZINC000216913327	529771265	/nfs/dbraw/zinc/77/12/65/529771265.db2.gz	OXUMRBZOTRRGBE-AWEZNQCLSA-N	2	1	282.432	0.082	40	70		CCIBMP
C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000216913302	529771158	/nfs/dbraw/zinc/77/11/58/529771158.db2.gz	OXUMRBZOTRRGBE-CQSZACIVSA-N	2	1	282.432	0.082	40	70		CCIBMP
CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+](C)C2)CC1	ZINC000216913302	529771159	/nfs/dbraw/zinc/77/11/59/529771159.db2.gz	OXUMRBZOTRRGBE-CQSZACIVSA-N	2	1	282.432	0.082	40	70		CCIBMP
CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000216913302	529771160	/nfs/dbraw/zinc/77/11/60/529771160.db2.gz	OXUMRBZOTRRGBE-CQSZACIVSA-N	2	1	282.432	0.082	40	70		CCIBMP
C[NH+]1CCC(CC(=O)NCCC[NH+]2CCOCC2)CC1	ZINC000216897588	397433498	/nfs/dbraw/zinc/43/34/98/397433498.db2.gz	KODRHMTYXDBDBN-UHFFFAOYSA-N	2	1	283.416	0.557	40	70		CCIBMP
C[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1	ZINC000216910626	262341714	/nfs/dbraw/zinc/34/17/14/262341714.db2.gz	BAJBWVIPTAQAAU-CYBMUJFWSA-N	2	1	269.389	0.167	40	70		CCIBMP
C[N@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCOCC2)C1	ZINC000216910626	262341715	/nfs/dbraw/zinc/34/17/15/262341715.db2.gz	BAJBWVIPTAQAAU-CYBMUJFWSA-N	2	1	269.389	0.167	40	70		CCIBMP
CN1CC[NH+](CCCNC(=O)CC2CC[NH+](C)CC2)CC1	ZINC000216900092	397433461	/nfs/dbraw/zinc/43/34/61/397433461.db2.gz	CAKMRQMQMYACFX-UHFFFAOYSA-N	2	1	296.459	0.472	40	70		CCIBMP
C[NH+]1[Si](C)(C)N[SiH2]N[Si](C)(C)[N@H+](C)[Si]1(C)C	ZINC000169747583	567213734	/nfs/dbraw/zinc/21/37/34/567213734.db2.gz	OVFDKWVWCVKIRM-UHFFFAOYSA-N	2	1	292.684	0.147	40	70		CCIBMP
C[N@@H+]1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1	ZINC000216910655	262341961	/nfs/dbraw/zinc/34/19/61/262341961.db2.gz	BAJBWVIPTAQAAU-ZDUSSCGKSA-N	2	1	269.389	0.167	40	70		CCIBMP
C[N@H+]1CCC[C@H](C(=O)NCCC[NH+]2CCOCC2)C1	ZINC000216910655	262341963	/nfs/dbraw/zinc/34/19/63/262341963.db2.gz	BAJBWVIPTAQAAU-ZDUSSCGKSA-N	2	1	269.389	0.167	40	70		CCIBMP