smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Nc1ccc(C2=NCCN2)c(Cl)c1)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)c(Cl)c2)cc1	ZINC000001689095	551689336	/nfs/dbraw/zinc/68/93/36/551689336.db2.gz	WOHUTKXLKZRWGP-UHFFFAOYSA-N	1	3	521.408	4.198	40	0		KIABHO
O=C(NCCN1CCCCC1)Nc1ccc(Cc2ccc(NC(=O)NCC[NH+]3CCCCC3)cc2)cc1	ZINC000016401920	553562832	/nfs/dbraw/zinc/56/28/32/553562832.db2.gz	GSBSCDYWFBZFQS-UHFFFAOYSA-N	1	3	506.695	4.492	40	0		KIABHO
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@H]6[C@@H]7C[N@@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c7[C@@H]6C(=O)OC)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32	ZINC000238809144	572188503	/nfs/dbraw/zinc/18/85/03/572188503.db2.gz	KPPBSXVQPGVPRR-GNOSTTNBSA-N	1	3	810.989	4.182	40	0		KIABHO
CC[C@]12C=CCN3CC[C@@]4(c5cc([C@H]6[C@@H]7C[N@H+](C[C@](O)(CC)C7)CCc7c8ccccc8[nH]c7[C@@H]6C(=O)OC)c(OC)cc5N(C)[C@H]4[C@@](O)(C(=O)OC)[C@@H]1OC(C)=O)[C@@H]32	ZINC000238809144	572188500	/nfs/dbraw/zinc/18/85/00/572188500.db2.gz	KPPBSXVQPGVPRR-GNOSTTNBSA-N	1	3	810.989	4.182	40	0		KIABHO
Cc1cc(OC[C@]2(CC(=O)N3CCOCC3)CCCN(Cc3cccc(OCC[NH+](C)C)c3)C2)ccc1Cl	ZINC000257282220	572314116	/nfs/dbraw/zinc/31/41/16/572314116.db2.gz	OSXXXARZTPRLOM-PMERELPUSA-N	1	3	544.136	4.499	40	0		KIABHO
Cc1cc(OC[C@@]2(CC(=O)N3CCOCC3)CCCN(Cc3cccc(OCC[NH+](C)C)c3)C2)ccc1Cl	ZINC000257282221	572314045	/nfs/dbraw/zinc/31/40/45/572314045.db2.gz	OSXXXARZTPRLOM-SSEXGKCCSA-N	1	3	544.136	4.499	40	0		KIABHO