smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC([O-])=C1C(=O)S[C@H](C)C1=O	100842466	166236851	/nfs/dbraw/zinc/23/68/51/166236851.db2.gz	WVBPLRWJMNAOOS-SCSAIBSYSA-N	-1	1	172.205	1.049	1	30		ADEFMM
CC(=O)C1=C([O-])S[C@H](C)C1=O	100842466	166236852	/nfs/dbraw/zinc/23/68/52/166236852.db2.gz	WVBPLRWJMNAOOS-SCSAIBSYSA-N	-1	1	172.205	1.049	1	30		ADEFMM
CC([O-])=C1C(=O)S[C@@H](C)C1=O	100842468	166237029	/nfs/dbraw/zinc/23/70/29/166237029.db2.gz	WVBPLRWJMNAOOS-BYPYZUCNSA-N	-1	1	172.205	1.049	1	30		ADEFMM
CC(=O)C1=C([O-])S[C@@H](C)C1=O	100842468	166237030	/nfs/dbraw/zinc/23/70/30/166237030.db2.gz	WVBPLRWJMNAOOS-BYPYZUCNSA-N	-1	1	172.205	1.049	1	30		ADEFMM
O=C1C(O)=C([O-])OC12CCCC2	101194629	169365837	/nfs/dbraw/zinc/36/58/37/169365837.db2.gz	VSYCWCIKZHVXKR-UHFFFAOYSA-N	-1	1	170.164	1.184	1	30		ADEFMM
O=C1C(O)=C([O-])OC12CCCCC2	101195188	169366109	/nfs/dbraw/zinc/36/61/09/169366109.db2.gz	BSLQDHAHAKBVIE-UHFFFAOYSA-N	-1	1	184.191	1.574	1	30		ADEFMM
O=C1CCCC([O-])=C1C(=O)C1CC1	26376656	169370223	/nfs/dbraw/zinc/37/02/23/169370223.db2.gz	BVEHCPIZMCJGPW-UHFFFAOYSA-N	-1	1	180.203	1.531	1	30		ADEFMM
O=C1CCCC([O-])=C1C(=O)C1CCC1	40584399	169371068	/nfs/dbraw/zinc/37/10/68/169371068.db2.gz	ARAFQKTZOFEVBF-UHFFFAOYSA-N	-1	1	194.230	1.921	1	30		ADEFMM
CC(C)C(=O)C1=C([O-])CCCC1=O	26376839	171045304	/nfs/dbraw/zinc/04/53/04/171045304.db2.gz	GRPCDGRLPHAMEO-UHFFFAOYSA-N	-1	1	182.219	1.777	1	30		ADEFMM