smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NCCN1C1CC[NH+](CCC[NH+]2CCCC2)CC1	ZINC000161439032	296373785	/nfs/dbraw/zinc/37/37/85/296373785.db2.gz	WDMSWPOFIBJNOB-UHFFFAOYSA-N	2	1	280.416	0.962	10	70		CCIEMP
CCC[C@@H](C(=O)NCCC[NH+]1CCOCC1)[NH+](C)C	ZINC000161162771	290733909	/nfs/dbraw/zinc/73/39/09/290733909.db2.gz	HIOJMXCYWCQXOU-ZDUSSCGKSA-N	2	1	271.405	0.555	10	70		CCIEMP
CCC[C@H](C(=O)NCCC[NH+]1CCOCC1)[NH+](C)C	ZINC000161162880	290733793	/nfs/dbraw/zinc/73/37/93/290733793.db2.gz	HIOJMXCYWCQXOU-CYBMUJFWSA-N	2	1	271.405	0.555	10	70		CCIEMP
COC(=O)CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217048268	329316553	/nfs/dbraw/zinc/31/65/53/329316553.db2.gz	GMERJPDFDDNVQZ-OLZOCXBDSA-N	2	1	297.399	0.130	10	70		CCIEMP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1	ZINC000161294793	519692341	/nfs/dbraw/zinc/69/23/41/519692341.db2.gz	WTSNXSIKCYZYFT-KFWWJZLASA-N	2	1	296.459	0.467	10	70		CCIEMP
CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H](C)N2CC[NH+](C)CC2)C1	ZINC000161294793	519692343	/nfs/dbraw/zinc/69/23/43/519692343.db2.gz	WTSNXSIKCYZYFT-KFWWJZLASA-N	2	1	296.459	0.467	10	70		CCIEMP
C[N@@H+](CCCNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1	ZINC000216902408	397433549	/nfs/dbraw/zinc/43/35/49/397433549.db2.gz	ZGWVZZDQRQKPBJ-KGLIPLIRSA-N	2	1	283.416	0.480	10	70		CCIEMP
[NH3+][C@@H]1CC[C@H](C(=O)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1	ZINC000217770597	295322193	/nfs/dbraw/zinc/32/21/93/295322193.db2.gz	VVZASTAGEPUBLE-UMSGYPCISA-N	2	1	267.373	0.093	10	70		CCIEMP
CC[C@H](C(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1)[NH+](C)C	ZINC000161203832	350716130	/nfs/dbraw/zinc/71/61/30/350716130.db2.gz	UJEYXHPPEXYYDZ-JHJVBQTASA-N	2	1	271.405	0.240	10	70		CCIEMP
CC[C@H](C(=O)N1CC[N@@H+](C[C@@H](C)O)[C@H](C)C1)[NH+](C)C	ZINC000161203832	350716136	/nfs/dbraw/zinc/71/61/36/350716136.db2.gz	UJEYXHPPEXYYDZ-JHJVBQTASA-N	2	1	271.405	0.240	10	70		CCIEMP
CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1	ZINC000161103979	521707956	/nfs/dbraw/zinc/70/79/56/521707956.db2.gz	AUNHAAHOUQODSG-MJBXVCDLSA-N	2	1	283.416	0.552	10	70		CCIEMP
CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)C1	ZINC000161103979	521707958	/nfs/dbraw/zinc/70/79/58/521707958.db2.gz	AUNHAAHOUQODSG-MJBXVCDLSA-N	2	1	283.416	0.552	10	70		CCIEMP
CC[NH+]1CCO[C@H](C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)C1	ZINC000161103979	521707960	/nfs/dbraw/zinc/70/79/60/521707960.db2.gz	AUNHAAHOUQODSG-MJBXVCDLSA-N	2	1	283.416	0.552	10	70		CCIEMP
CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2C[NH+](C(C)C)C[C@@H]2C)C1	ZINC000161103979	521707952	/nfs/dbraw/zinc/70/79/52/521707952.db2.gz	AUNHAAHOUQODSG-MJBXVCDLSA-N	2	1	283.416	0.552	10	70		CCIEMP
C[N@@H+](CCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1	ZINC000216902447	397433424	/nfs/dbraw/zinc/43/34/24/397433424.db2.gz	ZGWVZZDQRQKPBJ-ZIAGYGMSSA-N	2	1	283.416	0.480	10	70		CCIEMP
COC(=O)CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1	ZINC000217048307	329316719	/nfs/dbraw/zinc/31/67/19/329316719.db2.gz	GMERJPDFDDNVQZ-STQMWFEESA-N	2	1	297.399	0.130	10	70		CCIEMP