smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1cnc2c1ncnc2[N-]N=O	ZINC000005807502	187248375	/nfs/dbraw/zinc/24/83/75/187248375.db2.gz	XWMVIGIQWLWHSC-UHFFFAOYSA-N	-1	3	206.209	1.709	1	10		BDCFHM
[O-]c1ccccc1[C@@H]1NC(=S)N2CCCCN12	ZINC000096282409	187288952	/nfs/dbraw/zinc/28/89/52/187288952.db2.gz	LIRSYJSBUZPLQU-LLVKDONJSA-N	-1	3	249.339	1.592	1	10		BDCFHM
CCOC(=O)c1ncoc1-c1ccc([O-])c(O)c1	ZINC000040845061	170308922	/nfs/dbraw/zinc/30/89/22/170308922.db2.gz	PTISBUQBEKYVSU-UHFFFAOYSA-N	-1	3	249.222	1.930	1	10		BDCFHM
Cc1cc(=O)[n-]c2c1C(=O)c1ccccc1C2=O	ZINC000014586979	560101976	/nfs/dbraw/zinc/10/19/76/560101976.db2.gz	GYAHTYNHCVTZOK-UHFFFAOYSA-N	-1	3	239.230	1.459	1	10	endogenous,in-man	BDCFHM
CCOC(=O)c1cn[n-]c1N=NN(C)C	ZINC000018252463	170300481	/nfs/dbraw/zinc/30/04/81/170300481.db2.gz	NSPHOSJPVHHXCL-VAWYXSNFSA-N	-1	3	211.225	1.147	1	10		BDCFHM
CCOC(=O)c1c[n-]nc1N=NN(C)C	ZINC000018252463	170300482	/nfs/dbraw/zinc/30/04/82/170300482.db2.gz	NSPHOSJPVHHXCL-VAWYXSNFSA-N	-1	3	211.225	1.147	1	10		BDCFHM
CNC1=NC(=O)C(=Cc2ccc([O-])cc2)S1	ZINC000095558543	173321798	/nfs/dbraw/zinc/32/17/98/173321798.db2.gz	YSVYKZPZIBNQCQ-TWGQIWQCSA-N	-1	3	234.280	1.582	1	10		BDCFHM
C[N+]1([O-])CCc2c[nH]c3ccc([O-])c(c23)C1	ZINC000015212895	717111217	/nfs/dbraw/zinc/11/12/17/717111217.db2.gz	WVMOSIYLIYRNPY-UHFFFAOYSA-N	-1	3	218.256	1.874	1	10		BDCFHM
Cc1occ2c1C(=O)c1c(O)ccc([O-])c1C2=O	ZINC000014490611	560221950	/nfs/dbraw/zinc/22/19/50/560221950.db2.gz	JYJNQZBODMZAMR-UHFFFAOYSA-N	-1	3	244.202	1.775	1	10	biogenic,in-vitro	BDCFHM
Cc1occ2c1C(=O)c1c([O-])ccc(O)c1C2=O	ZINC000014490611	560221951	/nfs/dbraw/zinc/22/19/51/560221951.db2.gz	JYJNQZBODMZAMR-UHFFFAOYSA-N	-1	3	244.202	1.775	1	10	biogenic,in-vitro	BDCFHM