smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C(=O)[C@@H]2[C@H](C1=O)[C@H](Cc1ccccc1)[NH2+][C@@]21c2ccccc2N(Cc2ccccc2Cl)C1=O	ZINC000217595741	569880402	/nfs/dbraw/zinc/88/04/02/569880402.db2.gz	VZVLDZHHXJSNSA-ZSSMMQHUSA-N	1	0	485.971	3.528	50	70		JHIARO
COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2CCC[N@@H+]2[C@@]32c3ccccc3N(Cc3ccccc3)C2=O)cc1	ZINC000217662863	569880885	/nfs/dbraw/zinc/88/08/85/569880885.db2.gz	BTOBZXHDANZKDV-TUAOVVRQSA-N	1	0	493.563	3.721	50	70		JHIARO
COc1cc2c(cc1OC)CN(Cc1cc(=O)c(O)c(CN(C)Cc3ccccc3)o1)CC2	ZINC000217606145	569880493	/nfs/dbraw/zinc/88/04/93/569880493.db2.gz	DBYFWNMSFGETLI-UHFFFAOYSA-N	1	0	450.535	3.553	50	70	biogenic	JHIARO
Cc1nc2cc(NC(=O)C3CCN(c4ccc(Cl)nn4)CC3)ccc2n1CCC[NH+](C)C	ZINC000218259746	569883125	/nfs/dbraw/zinc/88/31/25/569883125.db2.gz	GFPVJYJQWXMNKE-UHFFFAOYSA-N	1	0	455.994	3.595	50	70		JHIARO