smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(=O)cc(NCCN(CCO)CCCc2ccc([N+](=O)[O-])cc2)n(C)c1=O	ZINC000000538083	560839160	/nfs/dbraw/zinc/83/91/60/560839160.db2.gz	OEBPANQZQGQPHF-UHFFFAOYSA-N	0	3	405.455	0.331	50	5	investigational	HCBAHN
COCCn1c(=N)c(C(=O)NCCN2CCCCC2)cc2c1nc1ccccn1c2=O	ZINC000002401903	569395568	/nfs/dbraw/zinc/39/55/68/569395568.db2.gz	JXUKAUWGKNVOKL-UHFFFAOYSA-N	0	3	424.505	0.991	50	5		HCBAHN
CN(C)CCNC(=S)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000003318257	568879769	/nfs/dbraw/zinc/87/97/69/568879769.db2.gz	FTWKFAFEZKPNOM-UHFFFAOYSA-N	0	3	401.514	0.337	50	5		HCBAHN
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@H](O)COCc2ccc3c(c2)OCO3)cc1	ZINC000007238870	569230223	/nfs/dbraw/zinc/23/02/23/569230223.db2.gz	ILMGQURWHQRXMW-QKLQHJQFSA-N	0	3	420.418	0.885	50	5		HCBAHN
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@H](O)COCc2ccc3c(c2)OCO3)cc1	ZINC000007238872	569230178	/nfs/dbraw/zinc/23/01/78/569230178.db2.gz	ILMGQURWHQRXMW-ZWOKBUDYSA-N	0	3	420.418	0.885	50	5		HCBAHN
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NC[C@@H](O)COCc2ccc3c(c2)OCO3)cc1	ZINC000012532898	568844558	/nfs/dbraw/zinc/84/45/58/568844558.db2.gz	ILMGQURWHQRXMW-HLIPFELVSA-N	0	3	420.418	0.885	50	5		HCBAHN
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NC[C@@H](O)COCc2ccc3c(c2)OCO3)cc1	ZINC000012532899	568844591	/nfs/dbraw/zinc/84/45/91/568844591.db2.gz	ILMGQURWHQRXMW-UWVAXJGDSA-N	0	3	420.418	0.885	50	5		HCBAHN
CNS(=O)(=O)c1ccc(N2CCC(CN3CCN(C)CC3)CC2)c([N+](=O)[O-])c1	ZINC000048290848	568435184	/nfs/dbraw/zinc/43/51/84/568435184.db2.gz	SOEODMHDYRVUJM-UHFFFAOYSA-N	0	3	411.528	0.967	50	5		HCBAHN
CCN1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@@H]2C1	ZINC000057439951	568836864	/nfs/dbraw/zinc/83/68/64/568836864.db2.gz	CJLHRWBZODUCSQ-HNNXBMFYSA-N	0	3	401.423	0.698	50	5		HCBAHN
CCN1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1	ZINC000245309376	571223833	/nfs/dbraw/zinc/22/38/33/571223833.db2.gz	CJLHRWBZODUCSQ-OAHLLOKOSA-N	0	3	401.423	0.698	50	5		HCBAHN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC[C@H]32)C1=O	ZINC000524732147	569212604	/nfs/dbraw/zinc/21/26/04/569212604.db2.gz	ZHMCJBXKNYESJS-HNNXBMFYSA-N	0	3	401.423	0.698	50	5		HCBAHN
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)CC[C@@H]32)C1=O	ZINC000524732148	569212613	/nfs/dbraw/zinc/21/26/13/569212613.db2.gz	ZHMCJBXKNYESJS-OAHLLOKOSA-N	0	3	401.423	0.698	50	5		HCBAHN