smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNC(=O)C(=O)NC[C@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1	ZINC000022734263	557808020	/nfs/dbraw/zinc/80/80/20/557808020.db2.gz	CCXSPPPSNONMDG-LJQANCHMSA-N	1	0	403.527	-0.154	50	10		HBCARO
COCCNC(=O)C(=O)NC[C@@H](c1ccc2c(c1)CCN2C)N1CC[NH+](C)CC1	ZINC000022734266	557807920	/nfs/dbraw/zinc/80/79/20/557807920.db2.gz	CCXSPPPSNONMDG-IBGZPJMESA-N	1	0	403.527	-0.154	50	10		HBCARO
COc1c(O)c(C[NH+]2CCCC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000079189965	569429161	/nfs/dbraw/zinc/42/91/61/569429161.db2.gz	GBGVNTVOLLKVBG-HBPTYVBASA-N	1	0	411.407	-0.605	50	10	biogenic	HBCARO
COc1c(O)c(C[NH+]2CCCC2)c2c(c1O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622015	569248489	/nfs/dbraw/zinc/24/84/89/569248489.db2.gz	GBGVNTVOLLKVBG-UNTKAPMPSA-N	1	0	411.407	-0.605	50	10		HBCARO
COc1c(O)c(C[NH+]2CCCC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1OC2=O	ZINC000170622016	569248540	/nfs/dbraw/zinc/24/85/40/569248540.db2.gz	GBGVNTVOLLKVBG-LOENZJAQSA-N	1	0	411.407	-0.605	50	10		HBCARO
COc1c(O)c(C[NH+]2CCCC2)c2c(c1O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OC2=O	ZINC000170622017	569248588	/nfs/dbraw/zinc/24/85/88/569248588.db2.gz	GBGVNTVOLLKVBG-OHDNAYAESA-N	1	0	411.407	-0.605	50	10		HBCARO
CN(C)S(=O)(=O)CCCS(=O)(=O)NCc1ccc(N2CC[NH2+]CC2)c(F)c1	ZINC000253416091	569367066	/nfs/dbraw/zinc/36/70/66/569367066.db2.gz	YHWPCTYWZWWQSO-UHFFFAOYSA-N	1	0	422.548	-0.064	50	10		HBCARO