smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(N)nc(N)c1-c1ccc(N(C)Cc2ccc(C(=O)NC)cc2)c([N+](=O)[O-])c1	ZINC000003807236	562938427	/nfs/dbraw/zinc/93/84/27/562938427.db2.gz	WAUZDXGKLHLLSG-UHFFFAOYSA-N	0	1	435.488	2.775	1	5		IFBFMN
O=c1oc2cc(OCCC[NH+]3CCN(Cc4ccccc4)CC3)ccc2c([O-])c1[N+](=O)[O-]	ZINC000029236214	563077015	/nfs/dbraw/zinc/07/70/15/563077015.db2.gz	SWSSTSABKSUKHP-UHFFFAOYSA-N	0	1	439.468	2.994	1	5		IFBFMN
COC(=O)C1(c2ccccc2)CCN(CCNC(=O)CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000029347680	563078755	/nfs/dbraw/zinc/07/87/55/563078755.db2.gz	JVWYCGQDBYDWDA-UHFFFAOYSA-N	0	1	439.512	2.850	1	5		IFBFMN
O=C1CCCC(=O)N1CCCCN1CCN(c2ccc3cc([N+](=O)[O-])ccc3n2)CC1	ZINC000073198515	563170093	/nfs/dbraw/zinc/17/00/93/563170093.db2.gz	VTGAOGQALDOZIU-UHFFFAOYSA-N	0	1	425.489	2.584	1	5		IFBFMN
O=C(c1nc2c3[nH]c(=O)oc3c3[nH]c(=O)oc3c2[nH]1)N1CCC(Cc2ccccc2)CC1	ZINC000036294473	563092558	/nfs/dbraw/zinc/09/25/58/563092558.db2.gz	IJYMQTPAPYYNKS-UHFFFAOYSA-N	0	1	433.424	2.527	1	5		IFBFMN
O=C(NCCCN1CCN(c2ccccc2)CC1)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000072173299	563165179	/nfs/dbraw/zinc/16/51/79/563165179.db2.gz	RURCUOPDBVGUHS-UHFFFAOYSA-N	0	1	434.500	2.927	1	5		IFBFMN
CN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(Nc4ccccc4C(N)=O)n3)cc2)CC1	ZINC000064531848	563154887	/nfs/dbraw/zinc/15/48/87/563154887.db2.gz	QXIJIASEWBOLFV-UHFFFAOYSA-N	0	1	448.487	2.723	1	5		IFBFMN
O=[N+]([O-])c1ccc(CN2[C@H](COCc3ccccc3)[C@@H](N3CCCC3)CS2(=O)=O)cc1	ZINC000072141322	563164664	/nfs/dbraw/zinc/16/46/64/563164664.db2.gz	MQTZNDOIPYYYFE-YADHBBJMSA-N	0	1	445.541	2.790	3	5		IFBFMN
O=C(NC1CC[NH2+]CC1)c1cc(-c2c([O-])cc(O)cc2Oc2ccc([N+](=O)[O-])cc2)on1	ZINC000096939887	563200061	/nfs/dbraw/zinc/20/00/61/563200061.db2.gz	WPCKTHWXJWRNOP-UHFFFAOYSA-N	0	1	440.412	2.935	1	5		IFBFMN