smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2cc(-c3ccccc3)nc(SCc3ccc(C(=O)N4CC[NH+](C)CC4)cc3)n2)CC1	ZINC000036038588	554146807	/nfs/dbraw/zinc/14/68/07/554146807.db2.gz	NKMJQGYVWOMKFI-UHFFFAOYSA-N	2	2	516.715	3.965	10	0		KHAELP
c1cn(-c2ccc(Oc3nnnn3[C@H]3CO[C@H]4[C@@H]3OC[C@@H]4[NH2+]Cc3ccc(-c4ccccc4)cc3)cc2)c[nH+]1	ZINC000067899015	554535529	/nfs/dbraw/zinc/53/55/29/554535529.db2.gz	YZZNFRQPPKFKHA-YVHASNINSA-N	2	2	521.581	3.815	10	0	biogenic	KHAELP
C[C@H]1CN(C(=O)C[C@H]([NH3+])C(=O)N2Cc3ccccc3C2)CC[N@H+]1C(c1ccc(F)cc1)c1ccc(F)cc1	ZINC000072105420	562720828	/nfs/dbraw/zinc/72/08/28/562720828.db2.gz	VAHNMPYIDDIFGT-DCFHFQCYSA-N	2	2	518.608	3.847	10	0		KHAELP
C[C@H]1CN(C(=O)C[C@H]([NH3+])C(=O)N2Cc3ccccc3C2)CC[N@@H+]1C(c1ccc(F)cc1)c1ccc(F)cc1	ZINC000072105420	562720827	/nfs/dbraw/zinc/72/08/27/562720827.db2.gz	VAHNMPYIDDIFGT-DCFHFQCYSA-N	2	2	518.608	3.847	10	0		KHAELP
COc1cc(C[N@H+]2C[C@H](Sc3ncccn3)C[C@H]2C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc2c1OCO2	ZINC000100961480	554542390	/nfs/dbraw/zinc/54/23/90/554542390.db2.gz	XUHSXQLZVNMOEG-XWHBCDNOSA-N	2	2	591.778	3.918	10	0		KHAELP
COc1cc(C[N@@H+]2C[C@H](Sc3ncccn3)C[C@H]2C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cc2c1OCO2	ZINC000100961480	554542386	/nfs/dbraw/zinc/54/23/86/554542386.db2.gz	XUHSXQLZVNMOEG-XWHBCDNOSA-N	2	2	591.778	3.918	10	0		KHAELP