smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccccc1Nc1ccccc1S	ZINC000031829993	181149513	/nfs/dbraw/zinc/14/95/13/181149513.db2.gz	DANJNCZFHIQPFN-UHFFFAOYSA-N	0	2	226.304	3.591	1	30		BHEFLN
CC1=C(O)[C@@](C)(/C=C2/C=CCCC2)SC1=O	ZINC000053021543	168088779	/nfs/dbraw/zinc/08/87/79/168088779.db2.gz	MZCRMMWCZVSRNM-CHOZFAJLSA-N	0	2	236.336	3.517	1	30		BHEFLN
CC1=C(O)[C@](C)(/C=C2/C=CCCC2)SC1=O	ZINC000053185055	168087658	/nfs/dbraw/zinc/08/76/58/168087658.db2.gz	MZCRMMWCZVSRNM-KJJQSCHISA-N	0	2	236.336	3.517	1	30		BHEFLN
CCC(CC)C[C@@]1(C)SC(O)=C(C)C1=O	ZINC000101033164	168367690	/nfs/dbraw/zinc/36/76/90/168367690.db2.gz	OMQNPOBILVHKED-GFCCVEGCSA-N	0	2	228.357	3.677	1	30		BHEFLN
CCC(CC)C[C@]1(C)SC(O)=C(C)C1=O	ZINC000101033168	168367079	/nfs/dbraw/zinc/36/70/79/168367079.db2.gz	OMQNPOBILVHKED-LBPRGKRZSA-N	0	2	228.357	3.677	1	30		BHEFLN
CC1=C(O)S[C@@](C)([C@@H](C)c2ccccc2)C1=O	ZINC000101036079	168087819	/nfs/dbraw/zinc/08/78/19/168087819.db2.gz	GMPLTSVOQHFAEV-HZMBPMFUSA-N	0	2	248.347	3.654	1	30		BHEFLN
CC1=C(O)S[C@](C)([C@@H](C)c2ccccc2)C1=O	ZINC000101036081	168088663	/nfs/dbraw/zinc/08/86/63/168088663.db2.gz	GMPLTSVOQHFAEV-IINYFYTJSA-N	0	2	248.347	3.654	1	30		BHEFLN
CC1=C(O)S[C@@](C)([C@H](C)c2ccccc2)C1=O	ZINC000101036082	168088426	/nfs/dbraw/zinc/08/84/26/168088426.db2.gz	GMPLTSVOQHFAEV-YGRLFVJLSA-N	0	2	248.347	3.654	1	30		BHEFLN
CC1=C(O)S[C@](C)([C@H](C)c2ccccc2)C1=O	ZINC000101036083	168088523	/nfs/dbraw/zinc/08/85/23/168088523.db2.gz	GMPLTSVOQHFAEV-QMTHXVAHSA-N	0	2	248.347	3.654	1	30		BHEFLN
C[C@]1(c2ccccc2S)C=CC=C[C@@H]1S	ZINC000086862312	385054857	/nfs/dbraw/zinc/05/48/57/385054857.db2.gz	ZGCYEJKOKSDQHQ-QWHCGFSZSA-N	0	2	234.389	3.657	2	30		BHEFLN
C[C@@]1(c2ccccc2S)C=CC=C[C@@H]1S	ZINC000086862313	385054404	/nfs/dbraw/zinc/05/44/04/385054404.db2.gz	ZGCYEJKOKSDQHQ-STQMWFEESA-N	0	2	234.389	3.657	2	30		BHEFLN
C[C@]1(c2ccccc2S)C=CC=C[C@H]1S	ZINC000086862315	385053632	/nfs/dbraw/zinc/05/36/32/385053632.db2.gz	ZGCYEJKOKSDQHQ-CHWSQXEVSA-N	0	2	234.389	3.657	2	30		BHEFLN
C[C@@]1(c2ccccc2S)C=CC=C[C@H]1S	ZINC000086862317	385053664	/nfs/dbraw/zinc/05/36/64/385053664.db2.gz	ZGCYEJKOKSDQHQ-OLZOCXBDSA-N	0	2	234.389	3.657	2	30		BHEFLN