smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)C(Nc1ccccc1Cl)=[NH+]C(C)C	ZINC000001576219	383907453	/nfs/dbraw/zinc/90/74/53/383907453.db2.gz	WSBWHGXMOJIDLD-UHFFFAOYSA-N	1	1	236.746	3.944	40	30		BHEBMO
C=CCN1c2ccccc2Sc2c[nH+]ccc21	ZINC000001659753	132244192	/nfs/dbraw/zinc/24/41/92/132244192.db2.gz	VGCDWNGWFXITGP-UHFFFAOYSA-N	1	1	240.331	3.870	40	30		BHEBMO
CCSC1=C(c2ccccc2)/C(=[NH+]\C)C1	ZINC000005615679	342767058	/nfs/dbraw/zinc/76/70/58/342767058.db2.gz	OJJPHIAJHJBFGD-KAMYIIQDSA-N	1	1	217.337	3.625	40	30		BHEBMO
CCCCN/C(=[NH+]\CCCC)Oc1ccccc1	ZINC000017302490	342923167	/nfs/dbraw/zinc/92/31/67/342923167.db2.gz	RQIJBELYDJUSOO-UHFFFAOYSA-N	1	1	248.370	3.611	40	30		BHEBMO
CCCCCCCCCCC[N@@H+](C)CCCO	ZINC000100933136	384658050	/nfs/dbraw/zinc/65/80/50/384658050.db2.gz	FLOHRCAUJOVPBC-UHFFFAOYSA-N	1	1	243.435	3.831	40	30		BHEBMO
CC[P@@+]1(c2ccccc2)[C@H](C)CC[C@@H]1C	ZINC000104314285	384820966	/nfs/dbraw/zinc/82/09/66/384820966.db2.gz	OAJGKTZVDDAELQ-NNQSOWQGSA-N	1	1	221.304	3.920	40	30		BHEBMO