smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1c(SC(F)(F)F)cc([O-])cc1C(=O)[O-]	ZINC000514272208	348640535	/nfs/dbraw/zinc/64/05/35/348640535.db2.gz	YEQKMBPAWRVGOX-UHFFFAOYSA-N	-2	1	263.196	2.574	10	30		CFEEML
N#Cc1cc([O-])c(SC(F)(F)F)cc1C(=O)[O-]	ZINC000514272283	348640604	/nfs/dbraw/zinc/64/06/04/348640604.db2.gz	WTBXMVTVADYNGY-UHFFFAOYSA-N	-2	1	263.196	2.574	10	30		CFEEML
N#Cc1c(CC(=O)[O-])ccc([O-])c1SC(F)(F)F	ZINC000514276366	348641336	/nfs/dbraw/zinc/64/13/36/348641336.db2.gz	LYJYDLKWNIAJNI-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1ccc([O-])c(CC(=O)[O-])c1SC(F)(F)F	ZINC000575391676	382766675	/nfs/dbraw/zinc/76/66/75/382766675.db2.gz	DDSOQMZMJUTMLQ-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1c([O-])c(CC(=O)[O-])ccc1SC(F)(F)F	ZINC000575391972	382767232	/nfs/dbraw/zinc/76/72/32/382767232.db2.gz	IZDWABUDGHZBRF-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc(SC(F)(F)F)c(C(=O)[O-])cc1[O-]	ZINC000575392362	382767249	/nfs/dbraw/zinc/76/72/49/382767249.db2.gz	VVYCRBMODZWKHL-UHFFFAOYSA-N	-2	1	263.196	2.574	10	30		CFEEML
N#Cc1ccc(CC(=O)[O-])c([O-])c1SC(F)(F)F	ZINC000514275985	348641403	/nfs/dbraw/zinc/64/14/03/348641403.db2.gz	MMHYBZAYVFSBIJ-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1c([O-])cc(SC(F)(F)F)cc1C(=O)[O-]	ZINC000575391687	382766829	/nfs/dbraw/zinc/76/68/29/382766829.db2.gz	FHMIYEXGZGVMGX-UHFFFAOYSA-N	-2	1	263.196	2.574	10	30		CFEEML
N#Cc1cc(SC(F)(F)F)cc(CC(=O)[O-])c1[O-]	ZINC000575392026	382767186	/nfs/dbraw/zinc/76/71/86/382767186.db2.gz	LSWMZOKOXQNMDM-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc(-c2ccc(C(=O)[O-])c(F)c2)ccc1[O-]	ZINC000065341556	303179157	/nfs/dbraw/zinc/17/91/57/303179157.db2.gz	YUOMAEIMWJEYSR-UHFFFAOYSA-N	-2	1	257.220	2.768	10	30		CFEEML
N#Cc1c([O-])cc(SC(F)(F)F)cc1CC(=O)[O-]	ZINC000514275608	348641248	/nfs/dbraw/zinc/64/12/48/348641248.db2.gz	CHUXLPKBHZULAJ-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1c([O-])ccc(SC(F)(F)F)c1CC(=O)[O-]	ZINC000514274584	348641296	/nfs/dbraw/zinc/64/12/96/348641296.db2.gz	UFZWCCYVJSZYNK-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
[O-]/N=C/C/N=N/[C@@H](/C=N/[O-])c1ccccc1Cl	ZINC000584642660	383113231	/nfs/dbraw/zinc/11/32/31/383113231.db2.gz	FIERHHWTXBMESZ-VDQLRNFOSA-N	-2	1	254.677	2.753	10	30		CFEEML
[O-]/N=C/C/N=N/[C@H](/C=N/[O-])c1ccccc1Cl	ZINC000584642661	383113260	/nfs/dbraw/zinc/11/32/60/383113260.db2.gz	FIERHHWTXBMESZ-XODRPBGUSA-N	-2	1	254.677	2.753	10	30		CFEEML
N#Cc1cc(CC(=O)[O-])c(SC(F)(F)F)cc1[O-]	ZINC000575392355	382767202	/nfs/dbraw/zinc/76/72/02/382767202.db2.gz	VJRDVXXAKBGHHB-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc([O-])cc(CC(=O)[O-])c1SC(F)(F)F	ZINC000575392417	382767161	/nfs/dbraw/zinc/76/71/61/382767161.db2.gz	ZRURVWILRQQYHO-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1ccc(SC(F)(F)F)c(CC(=O)[O-])c1[O-]	ZINC000575392181	382767054	/nfs/dbraw/zinc/76/70/54/382767054.db2.gz	OGAQSECLKCBZPO-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc(SC(F)(F)F)c(CC(=O)[O-])cc1[O-]	ZINC000575392292	382767321	/nfs/dbraw/zinc/76/73/21/382767321.db2.gz	RKXCCKSFEBACOC-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1c([O-])ccc(SC(F)(F)F)c1C(=O)[O-]	ZINC000514271994	348640784	/nfs/dbraw/zinc/64/07/84/348640784.db2.gz	IOCARELFLPMXIY-UHFFFAOYSA-N	-2	1	263.196	2.574	10	30		CFEEML
N#Cc1ccc(SC(F)(F)F)c([O-])c1CC(=O)[O-]	ZINC000575391714	382766670	/nfs/dbraw/zinc/76/66/70/382766670.db2.gz	HDTXMROZNPNGLP-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc([O-])c(SC(F)(F)F)c(CC(=O)[O-])c1	ZINC000575391700	382766681	/nfs/dbraw/zinc/76/66/81/382766681.db2.gz	GMLYQEQGGHIZNC-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc(-c2cc(C(=O)[O-])ccc2F)ccc1[O-]	ZINC000065341559	303178892	/nfs/dbraw/zinc/17/88/92/303178892.db2.gz	NOKULFHXPMXOAE-UHFFFAOYSA-N	-2	1	257.220	2.768	10	30		CFEEML
N#Cc1ccc(-c2cc(C(=O)[O-])ccc2F)cc1[O-]	ZINC000065341560	303186827	/nfs/dbraw/zinc/18/68/27/303186827.db2.gz	BMDDOZIWMJTXBD-UHFFFAOYSA-N	-2	1	257.220	2.768	10	30		CFEEML
N#Cc1cc(CC(=O)[O-])cc([O-])c1SC(F)(F)F	ZINC000575392144	382767172	/nfs/dbraw/zinc/76/71/72/382767172.db2.gz	NOMSXDCOTGGKNZ-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1c([O-])cc(CC(=O)[O-])cc1SC(F)(F)F	ZINC000514275694	348641264	/nfs/dbraw/zinc/64/12/64/348641264.db2.gz	KMRQDSWDELROCP-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc(CC(=O)[O-])c([O-])cc1SC(F)(F)F	ZINC000575392395	382767151	/nfs/dbraw/zinc/76/71/51/382767151.db2.gz	YCKWQVJMPXVKQT-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1c([O-])ccc(CC(=O)[O-])c1SC(F)(F)F	ZINC000575392340	382767140	/nfs/dbraw/zinc/76/71/40/382767140.db2.gz	UFWGPHLHWWAFRP-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc(-c2cc(F)cc(C(=O)[O-])c2)ccc1[O-]	ZINC000065341553	175711579	/nfs/dbraw/zinc/71/15/79/175711579.db2.gz	HSAILQLTTXKCBE-UHFFFAOYSA-N	-2	1	257.220	2.768	10	30		CFEEML
N#Cc1cc(C(=O)[O-])cc([O-])c1SC(F)(F)F	ZINC000575392039	382767138	/nfs/dbraw/zinc/76/71/38/382767138.db2.gz	MSWQSIZGYPLZMI-UHFFFAOYSA-N	-2	1	263.196	2.574	10	30		CFEEML
N#Cc1cc([O-])c(SC(F)(F)F)c(C(=O)[O-])c1	ZINC000575392003	382767176	/nfs/dbraw/zinc/76/71/76/382767176.db2.gz	KNELNNBKCZUINC-UHFFFAOYSA-N	-2	1	263.196	2.574	10	30		CFEEML
N#Cc1c(SC(F)(F)F)ccc([O-])c1CC(=O)[O-]	ZINC000575392008	382767157	/nfs/dbraw/zinc/76/71/57/382767157.db2.gz	KXMMAABPORPYAH-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc([O-])c(SC(F)(F)F)cc1CC(=O)[O-]	ZINC000575392421	382767310	/nfs/dbraw/zinc/76/73/10/382767310.db2.gz	ZXQRQWZCOLTUCX-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1c(CC(=O)[O-])cc([O-])cc1SC(F)(F)F	ZINC000575392291	382767214	/nfs/dbraw/zinc/76/72/14/382767214.db2.gz	RDLWAEUMWOMHMI-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1cc([O-])c(CC(=O)[O-])cc1SC(F)(F)F	ZINC000575391964	382767126	/nfs/dbraw/zinc/76/71/26/382767126.db2.gz	ICNQKQDFSFLHCF-UHFFFAOYSA-N	-2	1	277.223	2.503	10	30		CFEEML
N#Cc1ccc(-c2cc(F)cc(C(=O)[O-])c2)cc1[O-]	ZINC000065341554	303186995	/nfs/dbraw/zinc/18/69/95/303186995.db2.gz	NGLWNTPZVAIHEQ-UHFFFAOYSA-N	-2	1	257.220	2.768	10	30		CFEEML
N#Cc1cc(C(=O)[O-])cc(SC(F)(F)F)c1[O-]	ZINC000575391674	382766823	/nfs/dbraw/zinc/76/68/23/382766823.db2.gz	CXRVYLYTMCDVGI-UHFFFAOYSA-N	-2	1	263.196	2.574	10	30		CFEEML