smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000001446295	570263374	/nfs/dbraw/zinc/26/33/74/570263374.db2.gz	VBMIAUUNDBYWOH-DEFALTHMSA-N	1	3	376.934	4.912	50	30		GJEAHO
CSc1ccc(C[N+](=O)C2N(c3ccccc3)C(=S)SC2(C)C)cc1	ZINC000001436882	571033755	/nfs/dbraw/zinc/03/37/55/571033755.db2.gz	RBKNLYPKUHFZEF-VJOZSWGJSA-N	1	3	388.583	4.981	50	30		GJEAHO
CC=C1C[N@@+]2(C)CC[C@]34c5ccccc5N=C3C(=CNNc3ccccc3)[C@H]1C[C@@H]42	ZINC000253390456	717165839	/nfs/dbraw/zinc/16/58/39/717165839.db2.gz	KZDYDLFVHMLGCE-WKZVKJNZSA-N	1	3	397.546	4.901	50	30		GJEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1c[nH]c2ccccc12	ZINC000001436921	571033711	/nfs/dbraw/zinc/03/37/11/571033711.db2.gz	ARJKYBPWLMJEDR-FPJJECCMSA-N	1	3	381.526	4.740	50	30		GJEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000003084775	570502743	/nfs/dbraw/zinc/50/27/43/570502743.db2.gz	FHLFGOVDOSXRQJ-VYZAVGSRSA-N	1	3	390.961	4.908	50	30		GJEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1c[nH]c2ccccc12	ZINC000001436923	571033909	/nfs/dbraw/zinc/03/39/09/571033909.db2.gz	ARJKYBPWLMJEDR-QLTNSANVSA-N	1	3	381.526	4.740	50	30		GJEAHO
CC=C1C[N@+]2(C)CC[C@]34c5ccccc5N=C3C(=CNNc3ccccc3)[C@H]1C[C@@H]42	ZINC000253390455	717165857	/nfs/dbraw/zinc/16/58/57/717165857.db2.gz	KZDYDLFVHMLGCE-JVGCIMAFSA-N	1	3	397.546	4.901	50	30		GJEAHO
CC=C1C[N@+]2(C)CC[C@]34c5ccccc5N=C3C(=CNNc3ccccc3)[C@H]1C[C@@H]42	ZINC000253487485	717165866	/nfs/dbraw/zinc/16/58/66/717165866.db2.gz	KZDYDLFVHMLGCE-LWNMXTOFSA-N	1	3	397.546	4.901	50	30	biogenic	GJEAHO
CC=C1C[N@@H+]2CC[C@]34c5ccccc5N=C3C(=CNNc3ccccc3)[C@H]1C[C@H]24	ZINC000055065576	518556470	/nfs/dbraw/zinc/55/64/70/518556470.db2.gz	OJZNJHNPLYYHOW-UYYGVTAYSA-N	1	3	382.511	4.756	50	30	biogenic	GJEAHO
CC=C1C[N@H+]2CC[C@]34c5ccccc5N=C3C(=CNNc3ccccc3)[C@H]1C[C@H]24	ZINC000055065576	518556478	/nfs/dbraw/zinc/55/64/78/518556478.db2.gz	OJZNJHNPLYYHOW-UYYGVTAYSA-N	1	3	382.511	4.756	50	30	biogenic	GJEAHO
CC1(C)SC(=S)N(c2ccccc2)C1=[N+]([O-])Cc1ccc(Cl)cc1	ZINC000001446297	206381861	/nfs/dbraw/zinc/38/18/61/206381861.db2.gz	VBMIAUUNDBYWOH-SDLDRHLBSA-N	1	3	376.934	4.912	50	30		GJEAHO
CC1(C)SC(=S)N(c2ccccc2)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000001446297	206381863	/nfs/dbraw/zinc/38/18/63/206381863.db2.gz	VBMIAUUNDBYWOH-SDLDRHLBSA-N	1	3	376.934	4.912	50	30		GJEAHO
CC1(C)SC(=S)N(Cc2ccccc2)C1[N+](=O)Cc1ccc(Cl)cc1	ZINC000003084777	570502756	/nfs/dbraw/zinc/50/27/56/570502756.db2.gz	FHLFGOVDOSXRQJ-RIWZNOJBSA-N	1	3	390.961	4.908	50	30		GJEAHO
CC=C1C[N@@+]2(C)CC[C@]34c5ccccc5N=C3C(=CNNc3ccccc3)[C@H]1C[C@@H]42	ZINC000253487486	717165850	/nfs/dbraw/zinc/16/58/50/717165850.db2.gz	KZDYDLFVHMLGCE-SAJJPLCNSA-N	1	3	397.546	4.901	50	30	biogenic	GJEAHO
CSc1ccc(C[N+](=O)C2N(c3ccccc3)C(=S)SC2(C)C)cc1	ZINC000001436880	206382344	/nfs/dbraw/zinc/38/23/44/206382344.db2.gz	RBKNLYPKUHFZEF-IZQLPPHKSA-N	1	3	388.583	4.981	50	30		GJEAHO
CC=C1C[N@@H+]2CC[C@]34c5ccccc5N=C3C(=CNNc3ccccc3)[C@H]1C[C@H]24	ZINC000043766970	570964578	/nfs/dbraw/zinc/96/45/78/570964578.db2.gz	OJZNJHNPLYYHOW-FJYMHRLNSA-N	1	3	382.511	4.756	50	30		GJEAHO
CC=C1C[N@H+]2CC[C@]34c5ccccc5N=C3C(=CNNc3ccccc3)[C@H]1C[C@H]24	ZINC000043766970	570964581	/nfs/dbraw/zinc/96/45/81/570964581.db2.gz	OJZNJHNPLYYHOW-FJYMHRLNSA-N	1	3	382.511	4.756	50	30		GJEAHO