smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)[O-])n[n-]1	ZINC000408632524	557422762	/nfs/dbraw/zinc/42/27/62/557422762.db2.gz	QWLINPCLLXUATN-YBEGLDIGSA-N	-2	3	430.442	4.152	40	5		IIBBHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1c(C)[n-][nH]c1=O	ZINC000014134624	557308764	/nfs/dbraw/zinc/30/87/64/557308764.db2.gz	XGRKFKIWDJEBCI-UHFFFAOYSA-N	-2	3	429.820	4.163	40	5		IIBBHL
CCc1nc(SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[n-]1	ZINC000408631567	557422670	/nfs/dbraw/zinc/42/26/70/557422670.db2.gz	KJWJAFDLIJXVFY-BOPFTXTBSA-N	-2	3	426.454	4.072	40	5		IIBBHL
CCc1nc(SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)[O-])n[n-]1	ZINC000408630538	557424124	/nfs/dbraw/zinc/42/41/24/557424124.db2.gz	BGMBBFHWKXXYDI-BOPFTXTBSA-N	-2	3	426.454	4.072	40	5		IIBBHL
CCCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)[O-])n[n-]1	ZINC000408632738	557422957	/nfs/dbraw/zinc/42/29/57/557422957.db2.gz	SAZYVAQORKPSPM-YBEGLDIGSA-N	-2	3	430.442	4.152	40	5		IIBBHL
CCCc1nc(SC(=Cc2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C(=O)[O-])n[n-]1	ZINC000408632289	557422662	/nfs/dbraw/zinc/42/26/62/557422662.db2.gz	PSDFAVIXVIOUDH-YBEGLDIGSA-N	-2	3	430.442	4.152	40	5		IIBBHL
Cc1nc([N-]c2cccc3nsnc32)nc([N-]c2cccc3nsnc32)c1[N+](=O)[O-]	ZINC000013476019	556755473	/nfs/dbraw/zinc/75/54/73/556755473.db2.gz	RRJVIWQQUBWUOT-UHFFFAOYSA-N	-2	3	437.470	4.190	40	5		IIBBHL
CCCc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])n[n-]1	ZINC000408631823	557422726	/nfs/dbraw/zinc/42/27/26/557422726.db2.gz	LXXPDMOSUIHHBN-PDGQHHTCSA-N	-2	3	440.481	4.462	40	5		IIBBHL
Cc1nc([N-]c2ccccc2[N+](=O)[O-])sc1C(=O)C=C([O-])C(=O)Nc1ccccc1C	ZINC000102964387	557413528	/nfs/dbraw/zinc/41/35/28/557413528.db2.gz	ZUXDZCZKZFJRGQ-UHFFFAOYSA-N	-2	3	438.465	4.192	40	5		IIBBHL
CCCc1nc(SC(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)C(=O)[O-])n[n-]1	ZINC000408630832	557424232	/nfs/dbraw/zinc/42/42/32/557424232.db2.gz	DASAUHCQUOCQFH-PDGQHHTCSA-N	-2	3	440.481	4.462	40	5		IIBBHL
CCc1nc(SC(=Cc2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])n[n-]1	ZINC000408631226	557422451	/nfs/dbraw/zinc/42/24/51/557422451.db2.gz	GKKVLPBEEARITO-BOPFTXTBSA-N	-2	3	426.454	4.072	40	5		IIBBHL
CCc1nc(SC(=Cc2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000408633530	557422984	/nfs/dbraw/zinc/42/29/84/557422984.db2.gz	ZNAOXJOXDVFHJU-ODLFYWEKSA-N	-2	3	449.492	4.496	40	5		IIBBHL
O=c1[nH]c2ccc3[nH]c([O-])c(C=C(Cl)Cl)c(=O)c3c2c([O-])c1C=C(Cl)Cl	ZINC000016430921	556607611	/nfs/dbraw/zinc/60/76/11/556607611.db2.gz	NZWWNZUODMPRHV-UHFFFAOYSA-N	-2	3	434.062	4.333	40	5		IIBBHL
O=c1c(C=C(Cl)Cl)c([O-])[nH]c2ccc3[nH]c([O-])c(C=C(Cl)Cl)c(=O)c3c12	ZINC000016430921	556607615	/nfs/dbraw/zinc/60/76/15/556607615.db2.gz	NZWWNZUODMPRHV-UHFFFAOYSA-N	-2	3	434.062	4.333	40	5		IIBBHL
CCCc1nc(SC(=Cc2cc([N+](=O)[O-])ccc2N2CCCCCC2)C(=O)[O-])n[n-]1	ZINC000408633039	557423038	/nfs/dbraw/zinc/42/30/38/557423038.db2.gz	VEWAXKNBXPCBNJ-GHRIWEEISA-N	-2	3	431.518	4.264	40	5		IIBBHL
COc1c([O-])cc2oc3cc(O)c(CC=C(C)C)c(=O)c-3c([O-])c2c1CCC(C)(C)O	ZINC000014727633	563014915	/nfs/dbraw/zinc/01/49/15/563014915.db2.gz	TYALNCRUIKOKGP-UHFFFAOYSA-N	-2	3	428.481	4.284	40	5	endogenous,in-man	IIBBHL
COc1c([O-])cc2oc3cc([O-])c(CC=C(C)C)c(O)c3c(=O)c2c1CCC(C)(C)O	ZINC000014727633	563014916	/nfs/dbraw/zinc/01/49/16/563014916.db2.gz	TYALNCRUIKOKGP-UHFFFAOYSA-N	-2	3	428.481	4.284	40	5	endogenous,in-man	IIBBHL
O=c1nc(C=Cc2cc(Br)ccc2OCc2ccccc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409311839	557057953	/nfs/dbraw/zinc/05/79/53/557057953.db2.gz	BQEQXBNAWPYQSP-SOFGYWHQSA-N	-2	3	444.241	4.308	40	5		IIBBHL
CCCc1nc(SC(=Cc2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C(=O)[O-])n[n-]1	ZINC000408631228	557422813	/nfs/dbraw/zinc/42/28/13/557422813.db2.gz	GNKXYYAJSAAVKA-PDGQHHTCSA-N	-2	3	440.481	4.462	40	5		IIBBHL
COc1c([O-])cc2oc3cc(O)c(CCC(C)(C)O)c(=O)c-3c([O-])c2c1CC=C(C)C	ZINC000014727631	557145410	/nfs/dbraw/zinc/14/54/10/557145410.db2.gz	JSXIWUDODLMCGG-UHFFFAOYSA-N	-2	3	428.481	4.284	40	5	biogenic,in-vitro	IIBBHL
COc1c([O-])cc2oc3cc([O-])c(CCC(C)(C)O)c(O)c3c(=O)c2c1CC=C(C)C	ZINC000014727631	557145412	/nfs/dbraw/zinc/14/54/12/557145412.db2.gz	JSXIWUDODLMCGG-UHFFFAOYSA-N	-2	3	428.481	4.284	40	5	biogenic,in-vitro	IIBBHL
Cc1[n-][nH]c(=O)c1C(c1ccc(-c2ccc(Cl)c([N+](=O)[O-])c2)o1)c1c(C)[n-][nH]c1=O	ZINC000014134622	557308966	/nfs/dbraw/zinc/30/89/66/557308966.db2.gz	YAGMWHNSJHJZOS-UHFFFAOYSA-N	-2	3	429.820	4.163	40	5		IIBBHL