smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
S=c1[n-]nc(-c2cccc(Cl)c2)n1C1CCCCC1	ZINC000000071583	567817673	/nfs/dbraw/zinc/81/76/73/567817673.db2.gz	LEIRENIKKZDFIG-UHFFFAOYSA-N	-1	1	293.823	4.766	50	0		CJAAMM
S=c1[n-]nc(-c2ccccc2Cl)n1C1CCCCC1	ZINC000000229631	567822317	/nfs/dbraw/zinc/82/23/17/567822317.db2.gz	LNUJJPXAIYHNRF-UHFFFAOYSA-N	-1	1	293.823	4.766	50	0		CJAAMM
CC1=C(Cc2cc3ccc(=O)oc3cc2[O-])CC(C)(C)CC1	ZINC000000315507	567825161	/nfs/dbraw/zinc/82/51/61/567825161.db2.gz	PSXZWUGOGIANDZ-UHFFFAOYSA-N	-1	1	298.382	4.568	50	0		CJAAMM
Cc1cc(Cl)cc(Cc2cc(Cl)cc(C)c2O)c1[O-]	ZINC000000393929	567828776	/nfs/dbraw/zinc/82/87/76/567828776.db2.gz	PLYLXUREZURVOA-UHFFFAOYSA-N	-1	1	297.181	4.612	50	0		CJAAMM
S=c1[n-]nc(-c2ccc(Cl)cc2)n1C1CCCCC1	ZINC000000522124	567833186	/nfs/dbraw/zinc/83/31/86/567833186.db2.gz	XRHUXNAMYPEHHK-UHFFFAOYSA-N	-1	1	293.823	4.766	50	0		CJAAMM
CC(C)Cn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1	ZINC000000608923	567936680	/nfs/dbraw/zinc/93/66/80/567936680.db2.gz	LYWDZMWASMSUNC-UHFFFAOYSA-N	-1	1	289.448	4.561	50	0		CJAAMM
CC[C@@H](C)n1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1	ZINC000000612303	567834420	/nfs/dbraw/zinc/83/44/20/567834420.db2.gz	HBEPSECSLBADSP-LLVKDONJSA-N	-1	1	289.448	4.876	50	0		CJAAMM
CC[C@H](C)n1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1	ZINC000000612304	567834397	/nfs/dbraw/zinc/83/43/97/567834397.db2.gz	HBEPSECSLBADSP-NSHDSACASA-N	-1	1	289.448	4.876	50	0		CJAAMM
CC(C)=CCC/C(C)=C/Cc1cc2ccc(=O)oc2cc1[O-]	ZINC000001531449	567837674	/nfs/dbraw/zinc/83/76/74/567837674.db2.gz	INBMTJJPUABOQJ-VGOFMYFVSA-N	-1	1	298.382	4.734	50	0	biogenic,in-vitro	CJAAMM
CCCCc1oc2ccccc2c1C(=O)c1ccc([O-])cc1	ZINC000001760380	567843018	/nfs/dbraw/zinc/84/30/18/567843018.db2.gz	ZHGKQUXXASLVQQ-UHFFFAOYSA-N	-1	1	294.350	4.712	50	0	in-vitro	CJAAMM
O=C1[N-]C(=S)SC1=Cc1ccc(-c2ccccc2)cc1	ZINC000002536891	567847803	/nfs/dbraw/zinc/84/78/03/567847803.db2.gz	VRNCZWQQVCTSAL-GXDHUFHOSA-N	-1	1	297.404	4.683	50	0		CJAAMM
CCCCn1c(=S)[n-]nc1-c1ccc(C(C)(C)C)cc1	ZINC000003249329	567851928	/nfs/dbraw/zinc/85/19/28/567851928.db2.gz	DLPQZMFBSJUWGB-UHFFFAOYSA-N	-1	1	289.448	4.705	50	0		CJAAMM
[O-]c1ccc(Cl)c2ccc(/C=C/c3ccccc3)nc12	ZINC000004123411	567187776	/nfs/dbraw/zinc/18/77/76/567187776.db2.gz	GFAUOIOYQIAWJA-VOTSOKGWSA-N	-1	1	281.742	4.764	50	0		CJAAMM
CCCCn1c(=S)[n-]nc1-c1csc(C(C)C)c1	ZINC000005898025	170152139	/nfs/dbraw/zinc/15/21/39/170152139.db2.gz	IDSUMIJKLQKIDV-UHFFFAOYSA-N	-1	1	281.450	4.593	50	0		CJAAMM
CCCCn1c(=S)[n-]nc1-c1csc2ccccc12	ZINC000005898076	170152117	/nfs/dbraw/zinc/15/21/17/170152117.db2.gz	LGJBLDKSZRZVQD-UHFFFAOYSA-N	-1	1	289.429	4.622	50	0		CJAAMM
CCCCCC1CCC(c2n[n-]c(=S)n2CC)CC1	ZINC000006782965	170242991	/nfs/dbraw/zinc/24/29/91/170242991.db2.gz	XNDQFGGFJPDKML-UHFFFAOYSA-N	-1	1	281.469	4.815	50	0		CJAAMM
Cc1cccc(-c2n[n-]c(=S)n2[C@@H]2CCCC[C@@H]2C)c1	ZINC000006812580	170245607	/nfs/dbraw/zinc/24/56/07/170245607.db2.gz	LPNCAQYNYHSUOT-GXTWGEPZSA-N	-1	1	287.432	4.667	50	0		CJAAMM
Cc1cccc(-c2n[n-]c(=S)n2[C@@H]2CCCC[C@H]2C)c1	ZINC000006812581	170245590	/nfs/dbraw/zinc/24/55/90/170245590.db2.gz	LPNCAQYNYHSUOT-TZMCWYRMSA-N	-1	1	287.432	4.667	50	0		CJAAMM
Cc1cccc(-c2n[n-]c(=S)n2[C@H]2CCCC[C@@H]2C)c1	ZINC000006812582	170245766	/nfs/dbraw/zinc/24/57/66/170245766.db2.gz	LPNCAQYNYHSUOT-JSGCOSHPSA-N	-1	1	287.432	4.667	50	0		CJAAMM
Cc1cccc(-c2n[n-]c(=S)n2[C@H]2CCCC[C@H]2C)c1	ZINC000006812583	170245634	/nfs/dbraw/zinc/24/56/34/170245634.db2.gz	LPNCAQYNYHSUOT-OCCSQVGLSA-N	-1	1	287.432	4.667	50	0		CJAAMM
Cc1scc(-c2n[n-]c(=S)n2C2CCCCC2)c1C	ZINC000006825324	170246950	/nfs/dbraw/zinc/24/69/50/170246950.db2.gz	BLXPHRSZKIGTNT-UHFFFAOYSA-N	-1	1	293.461	4.791	50	0		CJAAMM
COc1ccc(-c2nc3cc(C(C)(C)C)ccc3o2)c([O-])c1	ZINC000022634932	171395404	/nfs/dbraw/zinc/39/54/04/171395404.db2.gz	UAEPXDOEINVJDT-UHFFFAOYSA-N	-1	1	297.354	4.507	50	0		CJAAMM
S=C([S-])Nc1ccc(Oc2ccc(Cl)cc2)cc1	ZINC000096191677	567138965	/nfs/dbraw/zinc/13/89/65/567138965.db2.gz	OHQIZRHGJCWTNZ-UHFFFAOYSA-N	-1	1	295.816	4.759	50	0		CJAAMM