smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(Cc1cc(Nc2cc[nH+]c3cc(Cl)ccc23)ccc1O)C(=O)N1CC[NH+](C)CC1	ZINC000001583638	553979523	/nfs/dbraw/zinc/97/95/23/553979523.db2.gz	BIKCXBLIECXBNY-UHFFFAOYSA-N	2	2	453.974	4.527	40	10		JJCBLP
Oc1c(C[NH2+]Cc2ccccc2)c(O)c(C[NH2+]Cc2ccccc2)c(O)c1C[NH2+]Cc1ccccc1	ZINC000001679809	194131483	/nfs/dbraw/zinc/13/14/83/194131483.db2.gz	CWCVEKYZLWDOTO-UHFFFAOYSA-N	3	2	483.612	4.673	40	10		JJCBLP
[NH3+]CCCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3cc([N+](=O)[O-])ccc32)cc1	ZINC000005008949	194402678	/nfs/dbraw/zinc/40/26/78/194402678.db2.gz	PZZPYVLVIGPZFU-UHFFFAOYSA-N	2	2	465.535	4.520	40	10		JJCBLP
Oc1c(C[NH2+]Cc2ccccc2)cc(C[NH2+]Cc2ccccc2)c(O)c1C[NH2+]Cc1ccccc1	ZINC000001679808	194131350	/nfs/dbraw/zinc/13/13/50/194131350.db2.gz	QVWDWYNJUUKBGL-UHFFFAOYSA-N	3	2	467.613	4.967	40	10		JJCBLP