smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCCN(CCO)C1=[NH+][C@H]2C(N3CCCCC3)=NC(N(CCO)CCO)=[NH+][C@H]2C(N2CCCCC2)=N1	ZINC000013510816	553467577	/nfs/dbraw/zinc/46/75/77/553467577.db2.gz	RMUHTDMTFYFGPA-WOJBJXKFSA-N	2	2	506.652	-1.195	50	0		KAAALP
OCCN(CCO)C1=[NH+][C@H]2C(N3CCCCC3)=NC(N(CCO)CCO)=[NH+][C@@H]2C(N2CCCCC2)=N1	ZINC000013510820	553467553	/nfs/dbraw/zinc/46/75/53/553467553.db2.gz	RMUHTDMTFYFGPA-BGYRXZFFSA-N	2	2	506.652	-1.195	50	0		KAAALP
OCCN(CCO)C1=[NH+][C@@H]2C(N3CCCCC3)=NC(N(CCO)CCO)=[NH+][C@@H]2C(N2CCCCC2)=N1	ZINC000013510822	553467516	/nfs/dbraw/zinc/46/75/16/553467516.db2.gz	RMUHTDMTFYFGPA-PMACEKPBSA-N	2	2	506.652	-1.195	50	0		KAAALP
CN(C)C(=O)CN1CCC[N@@H+](CC(=O)N(C)C)CCN(CC(=O)N(C)C)CCC[NH+](CC(=O)N(C)C)CC1	ZINC000022581918	553747188	/nfs/dbraw/zinc/74/71/88/553747188.db2.gz	NHIYUNTZPHPSAA-UHFFFAOYSA-N	2	2	540.754	-1.659	50	0		KAAALP
CN(C)C(=O)CN1CCC[N@H+](CC(=O)N(C)C)CCN(CC(=O)N(C)C)CCC[NH+](CC(=O)N(C)C)CC1	ZINC000022581918	553747187	/nfs/dbraw/zinc/74/71/87/553747187.db2.gz	NHIYUNTZPHPSAA-UHFFFAOYSA-N	2	2	540.754	-1.659	50	0		KAAALP
O=C(CC[NH+]1CCOCC1)N1CN(C(=O)CC[NH+]2CCOCC2)CN(C(=O)CC[NH+]2CCOCC2)C1	ZINC000096562148	553755566	/nfs/dbraw/zinc/75/55/66/553755566.db2.gz	BQZFOBXNLJROQL-UHFFFAOYSA-N	3	2	510.636	-1.475	50	0		KAAALP
NC(=O)C1CC[NH+](CCS(=O)(=O)CCC(=O)NCNC(=O)CCS(=O)(=O)CC[NH+]2CCC(C(N)=O)CC2)CC1	ZINC000097983281	554008502	/nfs/dbraw/zinc/00/85/02/554008502.db2.gz	OOQRTUMITSVQPU-UHFFFAOYSA-N	2	2	594.757	-2.819	50	0		KAAALP
C[C@@H](O)[C@@H]1NC(=O)[C@@H]2C[C@H](NC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)CN2C(=O)[C@H](Cc2ccccc2)NC(=O)COc2ccc(cc2)CCNC(=O)[C@H](C)NC1=O	ZINC000952862396	1066215961	/nfs/dbraw/zinc/21/59/61/1066215961.db2.gz	MHQIUJTVLXYPMA-QGCGLYHNSA-N	2	2	745.838	-1.786	50	0		KAAALP