smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc3cc(Cl)ccc3c(NCCCN(CCC(=O)NCCn3cnc4c3ncnc4N)C(N)=[NH2+])c2c1	ZINC000026748071	561819179	/nfs/dbraw/zinc/81/91/79/561819179.db2.gz	RXORHBQRXBLZNU-UHFFFAOYSA-N	1	3	590.092	2.976	1	10		KFCFHO
COc1cc2c3c(n(CCCNCCC[NH2+]C(C)(C)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027637600	561874694	/nfs/dbraw/zinc/87/46/94/561874694.db2.gz	DFFKSOVJDZTHAC-UHFFFAOYSA-N	1	3	537.613	2.689	1	10		KFCFHO
COc1cc2c3c(n(CCC[NH2+]CCCNC(C)(C)CO)c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027637600	561874692	/nfs/dbraw/zinc/87/46/92/561874692.db2.gz	DFFKSOVJDZTHAC-UHFFFAOYSA-N	1	3	537.613	2.689	1	10		KFCFHO
CN(C)C(=N)NC1=NC(=O)C(=Cc2ccc(N3CCC([NH2+]C[C@H](O)COc4ccccc4)CC3)cc2)S1	ZINC000028101773	561901647	/nfs/dbraw/zinc/90/16/47/561901647.db2.gz	UUTHENLTOKIXHL-ZKFYFQMZSA-N	1	3	522.675	2.741	1	10		KFCFHO
COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNC(=O)CCCNC(=O)CNC(=O)[C@@H](N)CCCNC(N)=[NH2+])c2c1	ZINC000028713302	561953923	/nfs/dbraw/zinc/95/39/23/561953923.db2.gz	LGNKRJDSWGUSDE-VWLOTQADSA-N	1	3	656.232	2.742	1	10		KFCFHO
COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNC(=O)CCNC(=O)CCNC(=O)[C@@H](N)CCCNC(N)=[NH2+])c2c1	ZINC000028713320	561953894	/nfs/dbraw/zinc/95/38/94/561953894.db2.gz	VNTZHAUIKCIQJC-VWLOTQADSA-N	1	3	656.232	2.742	1	10		KFCFHO
COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNC(=O)CCNC(=O)CCNC(=O)[C@H](N)CCCNC(N)=[NH2+])c2c1	ZINC000028713321	561953889	/nfs/dbraw/zinc/95/38/89/561953889.db2.gz	VNTZHAUIKCIQJC-RUZDIDTESA-N	1	3	656.232	2.742	1	10		KFCFHO
COc1ccc2nc3cc(Cl)ccc3c(NCCCCCCNC(=O)CCCNC(=O)CNC(=O)[C@H](N)CCCNC(N)=[NH2+])c2c1	ZINC000049946929	562695683	/nfs/dbraw/zinc/69/56/83/562695683.db2.gz	LGNKRJDSWGUSDE-RUZDIDTESA-N	1	3	656.232	2.742	1	10		KFCFHO