smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=Cc1ccc([O-])c(Cl)c1[O-]	196158025	571930800	/nfs/dbraw/zinc/93/08/00/571930800.db2.gz	LYZRMRRSVFCBGE-UHFFFAOYSA-N	-2	1	172.567	1.564	50	0		ADAAML
CC[N-]C(=S)SCCC(=O)[O-]	5459729	167254731	/nfs/dbraw/zinc/25/47/31/167254731.db2.gz	WANKWUBKPSCUOB-UHFFFAOYSA-N	-2	1	193.293	1.089	50	0		ADAAML
CSC(=S)[N-]CCCC(=O)[O-]	71774281	168297198	/nfs/dbraw/zinc/29/71/98/168297198.db2.gz	JQATYBMVAFRQNM-UHFFFAOYSA-N	-2	1	193.293	1.089	50	0		ADAAML
O=C([O-])c1cc(F)c([O-])c(F)c1	13541707	169356311	/nfs/dbraw/zinc/35/63/11/169356311.db2.gz	ONYKRDQINKHFQS-UHFFFAOYSA-N	-2	1	174.102	1.369	50	0	in-vitro	ADAAML
O=C([O-])c1cc2c(Cl)nc[n-]c-2n1	35269900	169356345	/nfs/dbraw/zinc/35/63/45/169356345.db2.gz	NXTZXTJRFVPNNX-UHFFFAOYSA-N	-2	1	197.581	1.310	50	0		ADAAML
O=C([O-])c1cc([O-])c(F)c(F)c1	2539969	169356569	/nfs/dbraw/zinc/35/65/69/169356569.db2.gz	MJJFPTDSRAEDCC-UHFFFAOYSA-N	-2	1	174.102	1.369	50	0	in-vitro	ADAAML
O=C([O-])c1cc(F)c([O-])cc1F	2526729	169356607	/nfs/dbraw/zinc/35/66/07/169356607.db2.gz	LKJAHLFAORUKHO-UHFFFAOYSA-N	-2	1	174.102	1.369	50	0	in-vitro	ADAAML
O=C([O-])c1ccc(F)c([O-])c1F	34781181	169357197	/nfs/dbraw/zinc/35/71/97/169357197.db2.gz	AYDXPNZXVSSJRD-UHFFFAOYSA-N	-2	1	174.102	1.369	50	0	in-vitro	ADAAML
O=C([O-])c1ccc(Cl)c([O-])c1	2530713	169357339	/nfs/dbraw/zinc/35/73/39/169357339.db2.gz	SCPUNJAMWFAYED-UHFFFAOYSA-N	-2	1	172.567	1.744	50	0		ADAAML
O=C([O-])c1ccc([O-])c(F)c1F	2379552	169358255	/nfs/dbraw/zinc/35/82/55/169358255.db2.gz	XIZIDHMVDRRFBT-UHFFFAOYSA-N	-2	1	174.102	1.369	50	0	in-vitro	ADAAML
O=C([O-])c1ccc([O-])c(Cl)n1	39128256	169358282	/nfs/dbraw/zinc/35/82/82/169358282.db2.gz	XDUHZKSABRITIB-UHFFFAOYSA-N	-2	1	173.555	1.139	50	0		ADAAML
O=C([O-])CCC(=O)c1ccc([O-])cc1	1671967	170999928	/nfs/dbraw/zinc/99/99/28/170999928.db2.gz	QKDLXQWEBIYZSS-UHFFFAOYSA-N	-2	1	194.186	1.440	50	0		ADAAML
O=C([O-])Cc1ccc([O-])c(Cl)c1	407042	171214829	/nfs/dbraw/zinc/21/48/29/171214829.db2.gz	IYTUKSIOQKTZEG-UHFFFAOYSA-N	-2	1	186.594	1.673	50	0	in-vitro	ADAAML
CCCC[P@](=O)([O-])CCC(=O)[O-]	2310128	342971189	/nfs/dbraw/zinc/97/11/89/342971189.db2.gz	VMVJQPWCTCGIMT-UHFFFAOYSA-N	-2	1	194.167	1.532	50	0		ADAAML
CC(C)c1c([O-])nc2cc[n-]n2c1=O	71475078	343553002	/nfs/dbraw/zinc/55/30/02/343553002.db2.gz	NFPQUJXMVVUSJD-UHFFFAOYSA-N	-2	1	193.206	1.264	50	0		ADAAML
O=[P@]([O-])(O)Cc1ccccc1	2168364	351304242	/nfs/dbraw/zinc/30/42/42/351304242.db2.gz	OGBVRMYSNSKIEF-UHFFFAOYSA-N	-2	1	172.120	1.364	50	0	in-vitro	ADAAML
O=[P@]([O-])(O)[C@H]1C=Cc2ccccc21	2573720	351313514	/nfs/dbraw/zinc/31/35/14/351313514.db2.gz	OFFLJKPNVQXOFL-VIFPVBQESA-N	-2	1	196.142	1.932	50	0		ADAAML
O=Cc1cc(F)c([O-])c(F)c1[O-]	95831395	351674610	/nfs/dbraw/zinc/67/46/10/351674610.db2.gz	HOGLWUCRFJBQOZ-UHFFFAOYSA-N	-2	1	174.102	1.189	50	0	in-vitro	ADAAML
O=C([O-])c1cc(F)c([O-])cc1Cl	238647610	1224238009	/nfs/dbraw/zinc/23/80/09/1224238009.db2.gz	GGUVILIBYANXHC-UHFFFAOYSA-N	-2	1	190.557	1.883	50	0		ADAAML