smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000245280325	570061718	/nfs/dbraw/zinc/06/17/18/570061718.db2.gz	MVFIAMXODJOTNK-IAPPQJPRSA-N	2	1	470.617	4.941	50	5		JJBAMP
Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000245280325	570061720	/nfs/dbraw/zinc/06/17/20/570061720.db2.gz	MVFIAMXODJOTNK-IAPPQJPRSA-N	2	1	470.617	4.941	50	5		JJBAMP
COc1ccc([C@@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009730587	555466459	/nfs/dbraw/zinc/46/64/59/555466459.db2.gz	VTMALPXYFQHBFL-NDEPHWFRSA-N	2	1	497.599	4.642	50	5	biogenic	JJBAMP
COc1ccc([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000009730586	555466315	/nfs/dbraw/zinc/46/63/15/555466315.db2.gz	VTMALPXYFQHBFL-MUUNZHRXSA-N	2	1	497.599	4.642	50	5	biogenic	JJBAMP
Cc1ccc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000245280327	570061744	/nfs/dbraw/zinc/06/17/44/570061744.db2.gz	MVFIAMXODJOTNK-IXCJQBJRSA-N	2	1	470.617	4.941	50	5		JJBAMP
Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000245280327	570061746	/nfs/dbraw/zinc/06/17/46/570061746.db2.gz	MVFIAMXODJOTNK-IXCJQBJRSA-N	2	1	470.617	4.941	50	5		JJBAMP
Cc1ccc([C@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000034723371	569652504	/nfs/dbraw/zinc/65/25/04/569652504.db2.gz	MVFIAMXODJOTNK-XTEPFMGCSA-N	2	1	470.617	4.941	50	5		JJBAMP
Cc1ccc([C@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000034723371	569652506	/nfs/dbraw/zinc/65/25/06/569652506.db2.gz	MVFIAMXODJOTNK-XTEPFMGCSA-N	2	1	470.617	4.941	50	5		JJBAMP
Cc1ccc([C@@H]2C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000034723369	569652562	/nfs/dbraw/zinc/65/25/62/569652562.db2.gz	MVFIAMXODJOTNK-XCZPVHLTSA-N	2	1	470.617	4.941	50	5		JJBAMP
Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)cc1	ZINC000034723369	569652563	/nfs/dbraw/zinc/65/25/63/569652563.db2.gz	MVFIAMXODJOTNK-XCZPVHLTSA-N	2	1	470.617	4.941	50	5		JJBAMP