smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1[N+](=O)[O-]	ZINC000013560020	562975168	/nfs/dbraw/zinc/97/51/68/562975168.db2.gz	YTOWYJCAAROULL-UHFFFAOYSA-N	-1	1	452.489	3.939	1	5		JHBFMM
CC1(C)C=C(n2ccccc2=O)c2cc(S(=O)(=O)[N-]c3ccc([N+](=O)[O-])cc3)ccc2O1	ZINC000013472641	562965995	/nfs/dbraw/zinc/96/59/95/562965995.db2.gz	LHVABCOWYUOGCJ-UHFFFAOYSA-N	-1	1	453.476	3.618	1	5		JHBFMM
CC(C)c1ccccc1Sc1ccc(C=CC(=O)N2CCO[C@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-]	ZINC000013863837	563003630	/nfs/dbraw/zinc/00/36/30/563003630.db2.gz	WVCQICGGXLHQQZ-RQMBKDMJSA-N	-1	1	480.550	3.996	1	5		JHBFMM
COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1[O-]	ZINC000028712803	563077176	/nfs/dbraw/zinc/07/71/76/563077176.db2.gz	NMUIIBINAGQAHR-QFIPXVFZSA-N	-1	1	499.483	3.839	1	5		JHBFMM
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c(=O)c-3c([O-])c2Br)cc1[N+](=O)[O-]	ZINC000040955346	563160729	/nfs/dbraw/zinc/16/07/29/563160729.db2.gz	BVVUYKBQESOMKJ-UHFFFAOYSA-N	-1	1	482.239	3.871	1	5		JHBFMM
COc1ccc(-c2oc3c(OC)c(OC)c(OC)c([O-])c3c(=O)c2Br)cc1[N+](=O)[O-]	ZINC000040955346	563160730	/nfs/dbraw/zinc/16/07/30/563160730.db2.gz	BVVUYKBQESOMKJ-UHFFFAOYSA-N	-1	1	482.239	3.871	1	5		JHBFMM
CC[C@H]1O[C@@]1(C)c1cc(=O)c2c(CC(=O)[O-])cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O	ZINC000013890085	560220778	/nfs/dbraw/zinc/22/07/78/560220778.db2.gz	OBQDKVJMMATTQP-CUAXAMRHSA-N	-1	1	480.469	3.884	1	5	in-vitro	JHBFMM
O=c1oc2cc(OCCCN3CCN(Cc4ccc(Cl)cc4)CC3)ccc2c([O-])c1[N+](=O)[O-]	ZINC000029250195	563099573	/nfs/dbraw/zinc/09/95/73/563099573.db2.gz	ONMPZRGRFSUUCZ-UHFFFAOYSA-N	-1	1	473.913	3.647	1	5		JHBFMM
CC(C)c1ccccc1Sc1ccc(C=CC(=O)N2CCO[C@@H](c3nn[n-]n3)C2)cc1[N+](=O)[O-]	ZINC000013863836	563003624	/nfs/dbraw/zinc/00/36/24/563003624.db2.gz	WVCQICGGXLHQQZ-LHUXKHBRSA-N	-1	1	480.550	3.996	1	5		JHBFMM
CC[C@H]1O[C@]1(C)c1cc(=O)c2c(CC(=O)[O-])cc3cc4c(c(O)c3c2o1)C(=O)CC[C@@H]4OC(C)=O	ZINC000013890087	560220781	/nfs/dbraw/zinc/22/07/81/560220781.db2.gz	OBQDKVJMMATTQP-DFXHWTJYSA-N	-1	1	480.469	3.884	1	5	in-vitro	JHBFMM