smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc(C2CC2)c(C(=O)[O-])c(C2CC2)c1	ZINC000002294379	182553640	/nfs/dbraw/zinc/55/36/40/182553640.db2.gz	OXNLLNQXZFMSOF-UHFFFAOYSA-N	-2	0	246.262	2.838	50	0		BFAARL
C[C@@H](CCCCCC[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000002029350	342714840	/nfs/dbraw/zinc/71/48/40/342714840.db2.gz	HGPLPTQLYAHGDY-UWVGGRQHSA-N	-2	0	230.304	2.768	50	0		BFAARL
CC(C)(CCCCC(C)(C)C(=O)[O-])C(=O)[O-]	ZINC000002152327	187245484	/nfs/dbraw/zinc/24/54/84/187245484.db2.gz	HTGDDXZLPDBWRI-UHFFFAOYSA-N	-2	0	230.304	2.768	50	0		BFAARL
O=C([O-])c1ccccc1-c1ccccc1C(=O)[O-]	ZINC000000105146	182579560	/nfs/dbraw/zinc/57/95/60/182579560.db2.gz	GWZCCUDJHOGOSO-UHFFFAOYSA-N	-2	0	242.230	2.750	50	0	in-vitro	BFAARL
O=C([O-])c1ccc(C(F)(F)F)cc1[S-]	ZINC000149173252	538062541	/nfs/dbraw/zinc/06/25/41/538062541.db2.gz	IJEWNEIKCNXQQN-UHFFFAOYSA-N	-2	0	222.187	2.692	50	0		BFAARL
O=C([O-])c1ccc2[n-]c(=S)sc2c1	ZINC000005687869	342768407	/nfs/dbraw/zinc/76/84/07/342768407.db2.gz	GJZGGNOKWQKDIY-UHFFFAOYSA-N	-2	0	211.267	2.657	50	0		BFAARL
Cc1ccc(C(=O)c2ccc(O)cc2[O-])cc1	ZINC000000345841	345827891	/nfs/dbraw/zinc/82/78/91/345827891.db2.gz	FGCATPMSNCVLQK-UHFFFAOYSA-N	-2	0	228.247	2.637	50	0		BFAARL
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cc2)cc1	ZINC000000134079	182561483	/nfs/dbraw/zinc/56/14/83/182561483.db2.gz	NEQFBGHQPUXOFH-UHFFFAOYSA-N	-2	0	242.230	2.750	50	0		BFAARL
CCC(C)(C)c1ccc(OP(=O)([O-])[O-])cc1	ZINC000002163541	168306039	/nfs/dbraw/zinc/30/60/39/168306039.db2.gz	HNAHQHKURIZAPU-UHFFFAOYSA-N	-2	0	244.227	2.846	50	0		BFAARL
Fc1ccc([N-]C(=S)[S-])c(F)c1	ZINC000002565033	342724470	/nfs/dbraw/zinc/72/44/70/342724470.db2.gz	RQTATDBHQQPAPI-UHFFFAOYSA-N	-2	0	205.254	2.591	50	0		BFAARL
CCCCCCC(CC(=O)[O-])CC(=O)[O-]	ZINC000002377216	367709342	/nfs/dbraw/zinc/70/93/42/367709342.db2.gz	CGYIPJNNRRYASC-UHFFFAOYSA-N	-2	0	216.277	2.522	50	0		BFAARL
O=C([O-])/C1=C(\C(=O)[O-])CCCCCCCCC1	ZINC000045070989	387274044	/nfs/dbraw/zinc/27/40/44/387274044.db2.gz	FKHATRCAUQNRCE-KHPPLWFESA-N	-2	0	240.299	2.977	50	0		BFAARL
C[C@H](CCCCCC[C@@H](C)C(=O)[O-])C(=O)[O-]	ZINC000002029348	342714867	/nfs/dbraw/zinc/71/48/67/342714867.db2.gz	HGPLPTQLYAHGDY-NXEZZACHSA-N	-2	0	230.304	2.768	50	0		BFAARL
O=C([O-])c1ccc(C(=O)[O-])c(-c2ccccc2)c1	ZINC000000240968	342681237	/nfs/dbraw/zinc/68/12/37/342681237.db2.gz	VSZJLXSVGVDPMJ-UHFFFAOYSA-N	-2	0	242.230	2.750	50	0		BFAARL
CCCC[C@@H](CCCCCC(=O)[O-])C(=O)[O-]	ZINC000033986222	168962671	/nfs/dbraw/zinc/96/26/71/168962671.db2.gz	OWCLRJQYKBAMOL-JTQLQIEISA-N	-2	0	230.304	2.913	50	0		BFAARL
CC(C)c1ccc(/C=C(/CC(=O)[O-])C(=O)[O-])cc1	ZINC000002546355	342723617	/nfs/dbraw/zinc/72/36/17/342723617.db2.gz	WGLOPJGFVZQPBA-GHXNOFRVSA-N	-2	0	248.278	2.753	50	0		BFAARL
O=C([O-])c1cccc(-c2ccccc2C(=O)[O-])c1	ZINC000044199421	343495657	/nfs/dbraw/zinc/49/56/57/343495657.db2.gz	OFKNLQSJUCXVRY-UHFFFAOYSA-N	-2	0	242.230	2.750	50	0		BFAARL
CCCC[C@H](CCCCCC(=O)[O-])C(=O)[O-]	ZINC000033986223	169002004	/nfs/dbraw/zinc/00/20/04/169002004.db2.gz	OWCLRJQYKBAMOL-SNVBAGLBSA-N	-2	0	230.304	2.913	50	0		BFAARL
C[C@H](CCCCCC[C@H](C)C(=O)[O-])C(=O)[O-]	ZINC000002029346	342714849	/nfs/dbraw/zinc/71/48/49/342714849.db2.gz	HGPLPTQLYAHGDY-AOOOYVTPSA-N	-2	0	230.304	2.768	50	0		BFAARL
CCCCc1c(C(=O)[O-])cc(C)cc1C(=O)[O-]	ZINC000002464511	383965792	/nfs/dbraw/zinc/96/57/92/383965792.db2.gz	FAMJNRKZEKCASZ-UHFFFAOYSA-N	-2	0	236.267	2.734	50	0		BFAARL
O=C([O-])c1ccc(-c2cccc(C(=O)[O-])c2)cc1	ZINC000035785283	343304623	/nfs/dbraw/zinc/30/46/23/343304623.db2.gz	GSYIVQLTSZFJRV-UHFFFAOYSA-N	-2	0	242.230	2.750	50	0		BFAARL
O=C([O-])c1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000039422775	343390067	/nfs/dbraw/zinc/39/00/67/343390067.db2.gz	WKSIHEZXQNJQCB-UHFFFAOYSA-N	-2	0	242.230	2.750	50	0		BFAARL
CCCCc1ccc(C(=O)[O-])c(C(=O)[O-])c1C	ZINC000002468882	169019050	/nfs/dbraw/zinc/01/90/50/169019050.db2.gz	QHRWTZTUXIOXMP-UHFFFAOYSA-N	-2	0	236.267	2.734	50	0		BFAARL
O=C([O-])c1cccc(-c2cccc(C(=O)[O-])c2)c1	ZINC000003897007	342739372	/nfs/dbraw/zinc/73/93/72/342739372.db2.gz	KHZYMPDILLAIQY-UHFFFAOYSA-N	-2	0	242.230	2.750	50	0	biogenic	BFAARL
O=C([O-])CCCCCCCCCC(=O)[O-]	ZINC000001593115	383910243	/nfs/dbraw/zinc/91/02/43/383910243.db2.gz	LWBHHRRTOZQPDM-UHFFFAOYSA-N	-2	0	216.277	2.667	50	0	endogenous,in-man	BFAARL
Fc1ccc([N-]C(=S)[S-])c(F)c1F	ZINC000003131328	342730936	/nfs/dbraw/zinc/73/09/36/342730936.db2.gz	JLPBGGINCRCIRO-UHFFFAOYSA-N	-2	0	223.244	2.731	50	0		BFAARL
O=C([O-])c1ccc(-c2ccccc2)cc1C(=O)[O-]	ZINC000001602105	356999325	/nfs/dbraw/zinc/99/93/25/356999325.db2.gz	YYEWRNLQOAIQDL-UHFFFAOYSA-N	-2	0	242.230	2.750	50	0		BFAARL
O=C([O-])c1ccc(-c2ccc(C(=O)[O-])cc2)s1	ZINC000003851632	182561395	/nfs/dbraw/zinc/56/13/95/182561395.db2.gz	JMJBAWYUQLOHNM-UHFFFAOYSA-N	-2	0	248.259	2.812	50	0		BFAARL