smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3ccccc3[O-])CC2)c1	ZINC000034683419	555818698	/nfs/dbraw/zinc/81/86/98/555818698.db2.gz	VPISWAWPHAYFBB-UHFFFAOYSA-N	0	3	434.511	4.851	10	10		IJCEHN
CCOc1ccccc1N1CC[NH+](Cc2cc(-c3cc(OC)ccc3OC)ccc2[O-])CC1	ZINC000055197246	569297081	/nfs/dbraw/zinc/29/70/81/569297081.db2.gz	SSGYODKTYAQKQM-UHFFFAOYSA-N	0	3	448.563	4.797	10	10		IJCEHN
COc1ccccc1CCN[C@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O	ZINC000020274823	557004978	/nfs/dbraw/zinc/00/49/78/557004978.db2.gz	UHCPVOKANKFBAQ-XJPNONJMSA-N	0	3	428.492	4.575	10	10		IJCEHN
Cc1ccc(N(C2CCN(Cc3ccccc3O)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000034683950	555819437	/nfs/dbraw/zinc/81/94/37/555819437.db2.gz	YQJDJJGMVMWZMS-UHFFFAOYSA-N	0	3	436.577	4.561	10	10		IJCEHN
COc1ccccc1CCN[C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O	ZINC000103550447	557316232	/nfs/dbraw/zinc/31/62/32/557316232.db2.gz	UHCPVOKANKFBAQ-RBGJJZJSSA-N	0	3	428.492	4.575	10	10		IJCEHN