smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)[N-]CCSC2CCOCC2)c(Cl)cc1Cl	ZINC000217710828	565897545	/nfs/dbraw/zinc/89/75/45/565897545.db2.gz	DOGVYQRPWBKRNN-UHFFFAOYSA-N	-1	3	384.350	3.492	50	70		GGIAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)NCCC1=CCCCC1	ZINC000218348701	570332109	/nfs/dbraw/zinc/33/21/09/570332109.db2.gz	SSKXQTFYAMQIPI-UHFFFAOYSA-N	-1	3	375.494	3.020	50	70		GGIAHM
COc1cc2c(cc1OC)CN(C(=O)c1c[n-]c3ccc(F)cc3c1=O)CC2	ZINC000218368935	570332771	/nfs/dbraw/zinc/33/27/71/570332771.db2.gz	MTAMDRRYTXBPAH-UHFFFAOYSA-N	-1	3	382.391	3.295	50	70		GGIAHM
COCCn1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc2cc(Cl)ccc21	ZINC000218474007	570335192	/nfs/dbraw/zinc/33/51/92/570335192.db2.gz	PZNCPRRCKOSYBJ-UHFFFAOYSA-N	-1	3	387.749	3.330	50	70		GGIAHM
COCCn1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc2cc(Cl)ccc21	ZINC000218474007	570335194	/nfs/dbraw/zinc/33/51/94/570335194.db2.gz	PZNCPRRCKOSYBJ-UHFFFAOYSA-N	-1	3	387.749	3.330	50	70		GGIAHM
O=C(N[C@@H](Cn1c([O-])coc1=O)c1ccccc1)c1ccc(C(F)(F)F)cc1	ZINC000217980969	208834006	/nfs/dbraw/zinc/83/40/06/208834006.db2.gz	XIOVTQBZSFVQKO-HNNXBMFYSA-N	-1	3	392.333	3.155	50	70		GGIAHM
Cc1cc(C)nc(Nc2cccc(C(=O)Nc3nnc(C(F)(F)F)[n-]3)c2)n1	ZINC000218211714	570327966	/nfs/dbraw/zinc/32/79/66/570327966.db2.gz	KLMDOOWMESSUAB-UHFFFAOYSA-N	-1	3	377.330	3.226	50	70		GGIAHM
Cc1cc(C)nc(Nc2cccc(C(=O)Nc3nc(C(F)(F)F)n[n-]3)c2)n1	ZINC000218211714	570327969	/nfs/dbraw/zinc/32/79/69/570327969.db2.gz	KLMDOOWMESSUAB-UHFFFAOYSA-N	-1	3	377.330	3.226	50	70		GGIAHM
CC(C)(C)OC(=O)NC1CCN(C(=O)c2c[n-]c3c(F)cccc3c2=O)CC1	ZINC000218263220	570329037	/nfs/dbraw/zinc/32/90/37/570329037.db2.gz	JBSJTPUFQIDYKK-UHFFFAOYSA-N	-1	3	389.427	3.209	50	70		GGIAHM
COCc1nc(-c2cccc(NC(=O)c3c[n-]c4ccccc4c3=O)c2)n[nH]1	ZINC000218284992	570329791	/nfs/dbraw/zinc/32/97/91/570329791.db2.gz	QOFMJAJVCUJOJE-UHFFFAOYSA-N	-1	3	375.388	3.124	50	70		GGIAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)NC1CCCCCCC1	ZINC000218420497	570334007	/nfs/dbraw/zinc/33/40/07/570334007.db2.gz	XEGQECFBEVWRFJ-UHFFFAOYSA-N	-1	3	377.510	3.242	50	70		GGIAHM
COc1cccc2c(=O)c(C(=O)NCCCc3nc4ccccc4n3C)c[n-]c12	ZINC000217971769	212113535	/nfs/dbraw/zinc/11/35/35/212113535.db2.gz	GIBUQCSBHYMLBC-UHFFFAOYSA-N	-1	3	390.443	3.198	50	70	biogenic	GGIAHM
COc1cc2c(cc1OC)CN(C(=O)c1c[n-]c3c(F)cccc3c1=O)CC2	ZINC000218365244	570332815	/nfs/dbraw/zinc/33/28/15/570332815.db2.gz	DDFRSOCSSPLZCQ-UHFFFAOYSA-N	-1	3	382.391	3.295	50	70		GGIAHM