smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCCNS(=O)(=O)c1ccc(N2CCN(C(=O)CN3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000488012157	1068042006	/nfs/dbraw/zinc/04/20/06/1068042006.db2.gz	XCVYEGVZHQBLGU-UHFFFAOYSA-N	1	3	482.607	0.569	20	5		JCBDHO
C[NH+]1CCC(N2CCC(NC(=O)CCNc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])CC2)CC1	ZINC000497444321	1068213866	/nfs/dbraw/zinc/21/38/66/1068213866.db2.gz	PYDHFCMIZQPGBP-UHFFFAOYSA-N	1	3	468.580	0.719	20	5		JCBDHO
C[NH+]1CCC(N2CCC(NC(=O)NCCNS(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000522408733	1069641462	/nfs/dbraw/zinc/64/14/62/1069641462.db2.gz	KRLAAFZYJAEWDU-UHFFFAOYSA-N	1	3	468.580	0.731	20	5		JCBDHO
C[NH+]1CCC(N2CCC(NC(=O)NCCNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000523876869	1069798956	/nfs/dbraw/zinc/79/89/56/1069798956.db2.gz	XBRAOFMHYITRDE-UHFFFAOYSA-N	1	3	468.580	0.731	20	5		JCBDHO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1	ZINC000727854147	1069696618	/nfs/dbraw/zinc/69/66/18/1069696618.db2.gz	ZMSBFSRYUULJIV-IYWMVGAKSA-N	1	3	487.557	0.781	20	5		JCBDHO
O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1	ZINC000727854147	1069696611	/nfs/dbraw/zinc/69/66/11/1069696611.db2.gz	ZMSBFSRYUULJIV-IYWMVGAKSA-N	1	3	487.557	0.781	20	5		JCBDHO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1	ZINC000727854148	1069696952	/nfs/dbraw/zinc/69/69/52/1069696952.db2.gz	ZMSBFSRYUULJIV-UAFMIMERSA-N	1	3	487.557	0.781	20	5		JCBDHO
O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1	ZINC000727854148	1069696947	/nfs/dbraw/zinc/69/69/47/1069696947.db2.gz	ZMSBFSRYUULJIV-UAFMIMERSA-N	1	3	487.557	0.781	20	5		JCBDHO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1	ZINC000727854149	1069696709	/nfs/dbraw/zinc/69/67/09/1069696709.db2.gz	ZMSBFSRYUULJIV-WCIQWLHISA-N	1	3	487.557	0.781	20	5		JCBDHO
O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1	ZINC000727854149	1069696694	/nfs/dbraw/zinc/69/66/94/1069696694.db2.gz	ZMSBFSRYUULJIV-WCIQWLHISA-N	1	3	487.557	0.781	20	5		JCBDHO
O=C(NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1	ZINC000727854150	1069696579	/nfs/dbraw/zinc/69/65/79/1069696579.db2.gz	ZMSBFSRYUULJIV-WTGUMLROSA-N	1	3	487.557	0.781	20	5		JCBDHO
O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1	ZINC000727854150	1069696571	/nfs/dbraw/zinc/69/65/71/1069696571.db2.gz	ZMSBFSRYUULJIV-WTGUMLROSA-N	1	3	487.557	0.781	20	5		JCBDHO
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164892300	721391661	/nfs/dbraw/zinc/39/16/61/721391661.db2.gz	SSZPSBGAYUEUMB-AVRDEDQJSA-N	1	3	460.583	0.560	20	5		JCBDHO
CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164892303	721391864	/nfs/dbraw/zinc/39/18/64/721391864.db2.gz	SSZPSBGAYUEUMB-GCJKJVERSA-N	1	3	460.583	0.560	20	5		JCBDHO
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164892307	721391825	/nfs/dbraw/zinc/39/18/25/721391825.db2.gz	SSZPSBGAYUEUMB-PGRDOPGGSA-N	1	3	460.583	0.560	20	5		JCBDHO
CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc(N5CC[NH2+]CC5)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164892308	721391560	/nfs/dbraw/zinc/39/15/60/721391560.db2.gz	SSZPSBGAYUEUMB-XMSQKQJNSA-N	1	3	460.583	0.560	20	5		JCBDHO