smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCCCCSS(C)(=O)=O	ZINC000022067354	717113081	/nfs/dbraw/zinc/11/30/81/717113081.db2.gz	XSMWSLMPEOLBBW-UHFFFAOYSA-N	1	0	240.414	1.556	10	50	in-vitro	BDGERO
C[N+](C)(C)CCOCCBr	ZINC000001854630	717090801	/nfs/dbraw/zinc/09/08/01/717090801.db2.gz	OFPOVMSUOQOURT-UHFFFAOYSA-N	1	0	211.123	1.104	10	50		BDGERO
CC[N+](CC)(CC)CCSS(C)(=O)=O	ZINC000002583584	717095571	/nfs/dbraw/zinc/09/55/71/717095571.db2.gz	JPTVEQAVQDYIAG-UHFFFAOYSA-N	1	0	240.414	1.556	10	50	in-vitro	BDGERO
CCC(=O)O[C@@H](Br)C[N+](C)(C)C	ZINC000002525869	717094547	/nfs/dbraw/zinc/09/45/47/717094547.db2.gz	BRDJKMKUDSGDTA-SSDOTTSWSA-N	1	0	239.133	1.367	10	50		BDGERO
C[N+](C)(C)CCCCSS(C)(=O)=O	ZINC000002509801	717094716	/nfs/dbraw/zinc/09/47/16/717094716.db2.gz	ZZJWCDGZGIIZQH-UHFFFAOYSA-N	1	0	226.387	1.166	10	50		BDGERO
C[N+](C)(C)CCI	ZINC000002037409	717094640	/nfs/dbraw/zinc/09/46/40/717094640.db2.gz	NWKKUJPMZHQVOB-UHFFFAOYSA-N	1	0	214.070	1.128	10	50		BDGERO
CCC(=O)O[C@H](Br)C[N+](C)(C)C	ZINC000105429848	717147807	/nfs/dbraw/zinc/14/78/07/717147807.db2.gz	BRDJKMKUDSGDTA-ZETCQYMHSA-N	1	0	239.133	1.367	10	50		BDGERO
CCCC[N+]12CCC(CC1)[C@](O)(C#N)C2	ZINC000103534523	717146928	/nfs/dbraw/zinc/14/69/28/717146928.db2.gz	NLSANUSQQAYYMQ-LXVYMNJGSA-N	1	0	209.313	1.282	10	50		BDGERO
CCCC[N+]12CCC(CC1)[C@@](O)(C#N)C2	ZINC000103534530	717146932	/nfs/dbraw/zinc/14/69/32/717146932.db2.gz	NLSANUSQQAYYMQ-MBHSVXNSSA-N	1	0	209.313	1.282	10	50		BDGERO
C[N+](C)(CCBr)CCCC#N	ZINC000002008954	717092624	/nfs/dbraw/zinc/09/26/24/717092624.db2.gz	RTVQSEGYOJJWLQ-UHFFFAOYSA-N	1	0	220.134	1.761	10	50		BDGERO