smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)c1ccc(Cl)c([O-])c1	95710433	1169130658	/nfs/dbraw/zinc/13/06/58/1169130658.db2.gz	QUTROBFCLJOSIP-UHFFFAOYSA-N	-1	3	170.639	3.169	40	0		AGABHM
Cc1c([O-])cc(Cl)cc1Cl	34266373	343115362	/nfs/dbraw/zinc/11/53/62/343115362.db2.gz	LGLFKDKRTJTTJL-UHFFFAOYSA-N	-1	3	177.030	3.007	40	0		AGABHM
CC(C)(C)c1cc([O-])cc(Cl)c1	95709840	166383240	/nfs/dbraw/zinc/38/32/40/166383240.db2.gz	UHYOKIYPBCFHLU-UHFFFAOYSA-N	-1	3	184.666	3.343	40	0		AGABHM
CC(C)(C)c1cccc(Cl)c1[O-]	1737439	166385411	/nfs/dbraw/zinc/38/54/11/166385411.db2.gz	UBHJDCKSYYGMRI-UHFFFAOYSA-N	-1	3	184.666	3.343	40	0	in-vitro	AGABHM
Fc1ccc2[n-]c(=S)ccc2c1	72207217	169084621	/nfs/dbraw/zinc/08/46/21/169084621.db2.gz	ICYQXTDQDCORLO-UHFFFAOYSA-N	-1	3	179.219	3.036	40	0		AGABHM
Fc1cccc(-c2c[n-]c(=S)o2)c1	199792404	169086152	/nfs/dbraw/zinc/08/61/52/169086152.db2.gz	LJLBSRASWABTCD-UHFFFAOYSA-N	-1	3	195.218	3.143	40	0		AGABHM
Fc1ccccc1-c1c[n-]c(=S)o1	199791742	169087607	/nfs/dbraw/zinc/08/76/07/169087607.db2.gz	QYCYETBXPHFDTJ-UHFFFAOYSA-N	-1	3	195.218	3.143	40	0		AGABHM
Cc1ccc2[n-]c(=S)ccc2c1	72207215	171109858	/nfs/dbraw/zinc/10/98/58/171109858.db2.gz	CFIFILIZDLQQSF-UHFFFAOYSA-N	-1	3	175.256	3.206	40	0		AGABHM
S=c1ccc2cccc(Cl)c2[n-]1	72207218	171109904	/nfs/dbraw/zinc/10/99/04/171109904.db2.gz	FUXHTJRHMPPTPF-UHFFFAOYSA-N	-1	3	195.674	3.177	40	0		AGABHM
S=c1ccc2cc(Cl)ccc2[n-]1	72207220	171109956	/nfs/dbraw/zinc/10/99/56/171109956.db2.gz	HXWQADMOCGNSCG-UHFFFAOYSA-N	-1	3	195.674	3.177	40	0		AGABHM
S=c1ccc2ccc(Cl)cc2[n-]1	72207219	171110189	/nfs/dbraw/zinc/11/01/89/171110189.db2.gz	UERZAFWQIDTVNS-UHFFFAOYSA-N	-1	3	195.674	3.177	40	0		AGABHM
S=c1ccc2c(Cl)cccc2[n-]1	72207221	171110438	/nfs/dbraw/zinc/11/04/38/171110438.db2.gz	FAPULXLCRGFTJY-UHFFFAOYSA-N	-1	3	195.674	3.177	40	0		AGABHM
CCc1cc2ccccc2[n-]c1=S	5678103	343006134	/nfs/dbraw/zinc/00/61/34/343006134.db2.gz	PFDMSGAMJXISLF-UHFFFAOYSA-N	-1	3	189.283	3.460	40	0		AGABHM
Cc1cc(=S)[n-]c2ccc(F)cc12	6556550	343015190	/nfs/dbraw/zinc/01/51/90/343015190.db2.gz	VALXEXSRWIMJOG-UHFFFAOYSA-N	-1	3	193.246	3.345	40	0		AGABHM
Cc1cc2cccc(C)c2[n-]c1=S	13535269	343035698	/nfs/dbraw/zinc/03/56/98/343035698.db2.gz	OQQJDXYXWHBVMW-UHFFFAOYSA-N	-1	3	189.283	3.140	40	0		AGABHM
CC(C)c1ccc([O-])c(Cl)c1	39259359	343208960	/nfs/dbraw/zinc/20/89/60/343208960.db2.gz	RYIJFWGCIXQLKT-UHFFFAOYSA-N	-1	3	170.639	3.169	40	0		AGABHM
Cc1ccc2ccc(=S)[n-]c2c1	72207214	343562091	/nfs/dbraw/zinc/56/20/91/343562091.db2.gz	BJFGJNDFGXDHNF-UHFFFAOYSA-N	-1	3	175.256	3.206	40	0		AGABHM
[O-]c1cc(Cl)c2ccccc2c1	20390900	351404530	/nfs/dbraw/zinc/40/45/30/351404530.db2.gz	FPBMWSBRLLFCEG-UHFFFAOYSA-N	-1	3	178.618	3.199	40	0		AGABHM
O=C1C=C([O-])C[C@@H](C2CCCCC2)C1	104322169	351712400	/nfs/dbraw/zinc/71/24/00/351712400.db2.gz	NXQQGUQXPDHQNR-JTQLQIEISA-N	-1	3	194.274	3.470	40	0		AGABHM
O=C1C=C([O-])C[C@H](C2CCCCC2)C1	104322169	351712407	/nfs/dbraw/zinc/71/24/07/351712407.db2.gz	NXQQGUQXPDHQNR-JTQLQIEISA-N	-1	3	194.274	3.470	40	0		AGABHM
O=C1C=C([O-])C[C@H](C2CCCCC2)C1	104322173	351712522	/nfs/dbraw/zinc/71/25/22/351712522.db2.gz	NXQQGUQXPDHQNR-SNVBAGLBSA-N	-1	3	194.274	3.470	40	0		AGABHM
O=C1C=C([O-])C[C@@H](C2CCCCC2)C1	104322173	351712525	/nfs/dbraw/zinc/71/25/25/351712525.db2.gz	NXQQGUQXPDHQNR-SNVBAGLBSA-N	-1	3	194.274	3.470	40	0		AGABHM
[O-]c1cccc2scc(Cl)c12	108297604	351721028	/nfs/dbraw/zinc/72/10/28/351721028.db2.gz	VAXCGYPTZOCKJA-UHFFFAOYSA-N	-1	3	184.647	3.260	40	0		AGABHM