smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCO[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1	ZINC000746676107	1076749434	/nfs/dbraw/zinc/74/94/34/1076749434.db2.gz	SFFHSLCWOJGNDX-IRXDYDNUSA-N	1	3	400.548	2.905	20	30		HFEDHO
C#CCN1CCC(C(=O)Nc2ccc(N3CC[NH+](CCC)CC3)cc2OCC)CC1	ZINC000787959052	1077009132	/nfs/dbraw/zinc/00/91/32/1077009132.db2.gz	IYCIDPSYKMBFPQ-UHFFFAOYSA-N	1	3	412.578	2.901	20	30		HFEDHO
CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1	ZINC000746676108	1076749618	/nfs/dbraw/zinc/74/96/18/1076749618.db2.gz	SFFHSLCWOJGNDX-SJORKVTESA-N	1	3	400.548	2.905	20	30		HFEDHO
CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1	ZINC000746676106	1076749571	/nfs/dbraw/zinc/74/95/71/1076749571.db2.gz	SFFHSLCWOJGNDX-IAGOWNOFSA-N	1	3	400.548	2.905	20	30		HFEDHO
COC(=O)c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)c(C#N)n1	ZINC001170528345	1080797968	/nfs/dbraw/zinc/79/79/68/1080797968.db2.gz	MQFOXZXXQDJJMQ-UHFFFAOYSA-N	1	3	403.486	2.649	20	30		HFEDHO
CC[NH+](CC)CCO[C@H]1CCN(CC(=O)C(C#N)c2nc3ccccc3s2)C1	ZINC000746676105	1076749723	/nfs/dbraw/zinc/74/97/23/1076749723.db2.gz	SFFHSLCWOJGNDX-DLBZAZTESA-N	1	3	400.548	2.905	20	30		HFEDHO
C=CCNC(=O)c1ccc(-n2cc(CCN3CCC([NH3+])CC3)c3ccccc32)nc1	ZINC001170526761	1080759740	/nfs/dbraw/zinc/75/97/40/1080759740.db2.gz	VRUSRVGUIVSVNJ-UHFFFAOYSA-N	1	3	403.530	2.907	20	30		HFEDHO