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+](C)C[C@H]1CCN(CCOCCN2CC[C@H](C[NH+](C)C)C2)C1	ZINC000178701572	263154951	/nfs/dbraw/zinc/15/49/51/263154951.db2.gz	ZXYOQCLXPZVCFW-QZTJIDSGSA-N	2	3	326.529	0.770	10	0		ECAEHP
C[NH+](C)C[C@H]1CCN(CC2(CN3CC[C@H](C[NH+](C)C)C3)COC2)C1	ZINC000122592150	222119061	/nfs/dbraw/zinc/11/90/61/222119061.db2.gz	SGRQQHGMVZQEMY-QZTJIDSGSA-N	2	3	338.540	0.770	10	0		ECAEHP
CN(C)C[C@H]1CC[N@H+](CC2(CN3CC[C@H](C[NH+](C)C)C3)COC2)C1	ZINC000122592150	222119065	/nfs/dbraw/zinc/11/90/65/222119065.db2.gz	SGRQQHGMVZQEMY-QZTJIDSGSA-N	2	3	338.540	0.770	10	0		ECAEHP
CN(C)C[C@H]1CC[N@@H+](CC2(CN3CC[C@H](C[NH+](C)C)C3)COC2)C1	ZINC000122592150	222119067	/nfs/dbraw/zinc/11/90/67/222119067.db2.gz	SGRQQHGMVZQEMY-QZTJIDSGSA-N	2	3	338.540	0.770	10	0		ECAEHP
NC(CC(=O)NCCCCCC[NH3+])CC(=O)NCCCCCC[NH3+]	ZINC000225811345	436712844	/nfs/dbraw/zinc/71/28/44/436712844.db2.gz	LBWGCXSVRFVUIV-UHFFFAOYSA-N	2	3	343.516	0.365	10	0		ECAEHP
C[NH+](C)C[C@@H]1CCN(CCOCCN2CC[C@@H](C[NH+](C)C)C2)C1	ZINC000247240845	436791345	/nfs/dbraw/zinc/79/13/45/436791345.db2.gz	ZXYOQCLXPZVCFW-ROUUACIJSA-N	2	3	326.529	0.770	10	0		ECAEHP
C[NH+](C)C[C@@H]1CCN(CCOCCN2CC[C@H](C[NH+](C)C)C2)C1	ZINC000178701557	263154845	/nfs/dbraw/zinc/15/48/45/263154845.db2.gz	ZXYOQCLXPZVCFW-HDICACEKSA-N	2	3	326.529	0.770	10	0		ECAEHP
C[NH+](C)C[C@@H]1CCN(CC2(CN3CC[C@@H](C[NH+](C)C)C3)COC2)C1	ZINC000248436937	165175455	/nfs/dbraw/zinc/17/54/55/165175455.db2.gz	SGRQQHGMVZQEMY-ROUUACIJSA-N	2	3	338.540	0.770	10	0		ECAEHP
CN(C)C[C@@H]1CC[N@H+](CC2(CN3CC[C@@H](C[NH+](C)C)C3)COC2)C1	ZINC000248436937	165175457	/nfs/dbraw/zinc/17/54/57/165175457.db2.gz	SGRQQHGMVZQEMY-ROUUACIJSA-N	2	3	338.540	0.770	10	0		ECAEHP
CN(C)C[C@@H]1CC[N@@H+](CC2(CN3CC[C@@H](C[NH+](C)C)C3)COC2)C1	ZINC000248436937	165175459	/nfs/dbraw/zinc/17/54/59/165175459.db2.gz	SGRQQHGMVZQEMY-ROUUACIJSA-N	2	3	338.540	0.770	10	0		ECAEHP