smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(OC[C@@H]2CS2)cc2oc3c4ccccc4ccc3c([O-])c1-2	ZINC000045372003	205122068	/nfs/dbraw/zinc/12/20/68/205122068.db2.gz	GYLJDSBPCVENET-CYBMUJFWSA-N	-1	3	350.395	4.299	1	5		FIBFHM
O=c1c2ccc3ccccc3c2oc2cc(OC[C@@H]3CS3)cc([O-])c21	ZINC000045372003	205122071	/nfs/dbraw/zinc/12/20/71/205122071.db2.gz	GYLJDSBPCVENET-CYBMUJFWSA-N	-1	3	350.395	4.299	1	5		FIBFHM
O=c1cc(OC[C@H]2CS2)cc2oc3cc4ccccc4cc3c([O-])c1-2	ZINC000045373227	205120882	/nfs/dbraw/zinc/12/08/82/205120882.db2.gz	GOGKSYQNMRWPNQ-AWEZNQCLSA-N	-1	3	350.395	4.299	1	5		FIBFHM
O=c1c2cc3ccccc3cc2oc2cc(OC[C@H]3CS3)cc([O-])c21	ZINC000045373227	205120887	/nfs/dbraw/zinc/12/08/87/205120887.db2.gz	GOGKSYQNMRWPNQ-AWEZNQCLSA-N	-1	3	350.395	4.299	1	5		FIBFHM
O=c1cc(OC[C@@H]2CS2)cc2oc3ccc4ccccc4c3c([O-])c1-2	ZINC000045368986	205121573	/nfs/dbraw/zinc/12/15/73/205121573.db2.gz	YETNTCNTUVTKSU-CYBMUJFWSA-N	-1	3	350.395	4.299	1	5		FIBFHM
O=c1c2c([O-])cc(OC[C@@H]3CS3)cc2oc2ccc3ccccc3c21	ZINC000045368986	205121576	/nfs/dbraw/zinc/12/15/76/205121576.db2.gz	YETNTCNTUVTKSU-CYBMUJFWSA-N	-1	3	350.395	4.299	1	5		FIBFHM
O=c1cc(OC[C@H]2CS2)cc2oc3c4ccccc4ccc3c([O-])c1-2	ZINC000045372007	205122123	/nfs/dbraw/zinc/12/21/23/205122123.db2.gz	GYLJDSBPCVENET-ZDUSSCGKSA-N	-1	3	350.395	4.299	1	5		FIBFHM
O=c1c2ccc3ccccc3c2oc2cc(OC[C@H]3CS3)cc([O-])c21	ZINC000045372007	205122126	/nfs/dbraw/zinc/12/21/26/205122126.db2.gz	GYLJDSBPCVENET-ZDUSSCGKSA-N	-1	3	350.395	4.299	1	5		FIBFHM
O=c1cc(OC[C@H]2CS2)cc2oc3ccc4ccccc4c3c([O-])c1-2	ZINC000045368992	205121260	/nfs/dbraw/zinc/12/12/60/205121260.db2.gz	YETNTCNTUVTKSU-ZDUSSCGKSA-N	-1	3	350.395	4.299	1	5		FIBFHM
O=c1c2c([O-])cc(OC[C@H]3CS3)cc2oc2ccc3ccccc3c21	ZINC000045368992	205121263	/nfs/dbraw/zinc/12/12/63/205121263.db2.gz	YETNTCNTUVTKSU-ZDUSSCGKSA-N	-1	3	350.395	4.299	1	5		FIBFHM
CC(=O)c1c(=O)c2c([n-]c1Nc1cccc(C)c1)c(Cl)ccc2[N+](=O)[O-]	ZINC000040896486	208274590	/nfs/dbraw/zinc/27/45/90/208274590.db2.gz	CUBCGVOLNPCKPK-UHFFFAOYSA-N	-1	3	371.780	4.344	1	5		FIBFHM
CC(=O)c1c([O-])c2c(nc1Nc1cccc(C)c1)c(Cl)ccc2[N+](=O)[O-]	ZINC000040896486	208274593	/nfs/dbraw/zinc/27/45/93/208274593.db2.gz	CUBCGVOLNPCKPK-UHFFFAOYSA-N	-1	3	371.780	4.344	1	5		FIBFHM
COc1c(C)c(Br)c2c(=O)oc3c(C)c([O-])ccc3c2c1C	ZINC000028572205	581100169	/nfs/dbraw/zinc/10/01/69/581100169.db2.gz	IWDLFWORFMDTLN-UHFFFAOYSA-N	-1	3	363.207	4.348	1	5		FIBFHM
CCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)[N-]C3=O	ZINC000000590745	210249865	/nfs/dbraw/zinc/24/98/65/210249865.db2.gz	GRLDAHPZRAVINS-UHFFFAOYSA-N	-1	3	353.381	4.333	1	5		FIBFHM
CCn1ccc2ccc3c4[nH]c5ccccc5c4c4c(c3c21)C(=O)[N-]C4=O	ZINC000013534907	211037731	/nfs/dbraw/zinc/03/77/31/211037731.db2.gz	WHGJISNHJVBRGV-UHFFFAOYSA-N	-1	3	353.381	4.333	1	5		FIBFHM
Cc1cc2ccn(C)c2c2c3c(c4c5ccccc5n(C)c4c12)C(=O)[N-]C3=O	ZINC000013535066	211037338	/nfs/dbraw/zinc/03/73/38/211037338.db2.gz	QTGXVJOZQRRBAU-UHFFFAOYSA-N	-1	3	367.408	4.168	1	5		FIBFHM
Cc1cc2ccn(C)c2c2c3c(c4c5ccc(F)cc5[nH]c4c12)C(=O)[N-]C3=O	ZINC000013535033	211037765	/nfs/dbraw/zinc/03/77/65/211037765.db2.gz	SXBXZPMHHKFUPC-UHFFFAOYSA-N	-1	3	371.371	4.297	1	5		FIBFHM
O=C(Nc1ccccc1F)c1cccc2nc(-c3ccc([N+](=O)[O-])o3)[n-]c21	ZINC000071317662	221342030	/nfs/dbraw/zinc/34/20/30/221342030.db2.gz	SJAKCXGKECYNKM-UHFFFAOYSA-N	-1	3	366.308	4.123	1	5		FIBFHM
O=C(Nc1ccccc1F)c1cccc2[n-]c(-c3ccc([N+](=O)[O-])o3)nc21	ZINC000071317662	221342031	/nfs/dbraw/zinc/34/20/31/221342031.db2.gz	SJAKCXGKECYNKM-UHFFFAOYSA-N	-1	3	366.308	4.123	1	5		FIBFHM
O=C1c2c([O-])cccc2C(=Cc2ccc([N+](=O)[O-])cc2)c2cccc(O)c21	ZINC000001541433	219409989	/nfs/dbraw/zinc/40/99/89/219409989.db2.gz	ITRWJABLTBZJPV-UHFFFAOYSA-N	-1	3	359.337	4.139	1	5		FIBFHM
Cc1cc2ccn(C)c2c2c3c(c4c5ccccc5[nH]c4c12)C(=O)[N-]C3=O	ZINC000013535017	220072831	/nfs/dbraw/zinc/07/28/31/220072831.db2.gz	FZGRMGZDGHBBEJ-UHFFFAOYSA-N	-1	3	353.381	4.158	1	5		FIBFHM
CCN(CC)CCNc1ccc(C)c2sc3cc([O-])ccc3c(=O)c12	ZINC000101248993	222266137	/nfs/dbraw/zinc/26/61/37/222266137.db2.gz	QGFRRFQWERJXRI-UHFFFAOYSA-N	-1	3	356.491	4.182	1	5		FIBFHM
Clc1cccc(Nc2nc3cc(-c4nnn[n-]4)ccc3c3cnccc32)c1	ZINC000066111754	221241571	/nfs/dbraw/zinc/24/15/71/221241571.db2.gz	IGKXMIGRJGFVEE-UHFFFAOYSA-N	-1	3	373.807	4.360	1	5		FIBFHM
Clc1cccc(Nc2nc3cc(-c4nn[n-]n4)ccc3c3cnccc32)c1	ZINC000066111754	221241574	/nfs/dbraw/zinc/24/15/74/221241574.db2.gz	IGKXMIGRJGFVEE-UHFFFAOYSA-N	-1	3	373.807	4.360	1	5		FIBFHM