smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CCC[N@@H+](CCOc2ccc(N)cc2)C1	ZINC000008703252	176098426	/nfs/dbraw/zinc/09/84/26/176098426.db2.gz	ZCHHQXRDJOPTAX-GFCCVEGCSA-N	1	1	234.343	2.380	40	10		BECBMO
CC[NH+](CC)CCNCc1ccc(N(C)C)cc1	ZINC000019919121	136275821	/nfs/dbraw/zinc/27/58/21/136275821.db2.gz	QHUIDNKZEYRKRT-UHFFFAOYSA-N	1	1	249.402	2.184	40	10		BECBMO
Nc1ccc([N@@H+]2CCCC[C@@H]2CCO)cc1	ZINC000022164220	132332472	/nfs/dbraw/zinc/33/24/72/132332472.db2.gz	JUJVNTRWJQHLEI-GFCCVEGCSA-N	1	1	220.316	2.010	40	10		BECBMO
Nc1ccc([N@H+]2CCCC[C@@H]2CCO)cc1	ZINC000022164220	132332474	/nfs/dbraw/zinc/33/24/74/132332474.db2.gz	JUJVNTRWJQHLEI-GFCCVEGCSA-N	1	1	220.316	2.010	40	10		BECBMO
N#[N+]CC(=O)[C@H]1O[C@@H]1c1ccc2ccccc2c1	ZINC000005568114	183317895	/nfs/dbraw/zinc/31/78/95/183317895.db2.gz	BAMXBGAPXINRCV-ZIAGYGMSSA-N	1	1	238.246	2.149	40	10		BECBMO
N#[N+]CC(=O)[C@@H]1O[C@@H]1c1ccc2ccccc2c1	ZINC000005568112	183317910	/nfs/dbraw/zinc/31/79/10/183317910.db2.gz	BAMXBGAPXINRCV-KGLIPLIRSA-N	1	1	238.246	2.149	40	10		BECBMO
COC(=O)c1ccc(O)c(C[NH2+]C2CCCC2)c1	ZINC000096530245	385285787	/nfs/dbraw/zinc/28/57/87/385285787.db2.gz	OSXCEEWWCDUCBS-UHFFFAOYSA-N	1	1	249.310	2.211	40	10		BECBMO
C[NH+](C)Cc1cccc(Br)c1O	ZINC000001671169	342707708	/nfs/dbraw/zinc/70/77/08/342707708.db2.gz	XGSQSDLOTZZGRI-UHFFFAOYSA-N	1	1	230.105	2.216	40	10		BECBMO
Nc1ccc(Cc2[nH]c3ccc(N)cc3[nH+]2)cc1	ZINC000004243978	346245622	/nfs/dbraw/zinc/24/56/22/346245622.db2.gz	AXHCYBNJRPZLOA-UHFFFAOYSA-N	1	1	238.294	2.318	40	10		BECBMO
N#[N+]CC(=O)[C@H]1O[C@H]1c1ccc2ccccc2c1	ZINC000005568117	183317915	/nfs/dbraw/zinc/31/79/15/183317915.db2.gz	BAMXBGAPXINRCV-UONOGXRCSA-N	1	1	238.246	2.149	40	10		BECBMO
N#[N+]CC(=O)[C@@H]1O[C@H]1c1ccc2ccccc2c1	ZINC000005568113	183317934	/nfs/dbraw/zinc/31/79/34/183317934.db2.gz	BAMXBGAPXINRCV-KBPBESRZSA-N	1	1	238.246	2.149	40	10		BECBMO
C[C@H]1CCC[N@@H+](CCOc2ccc(N)cc2)C1	ZINC000008703253	177099386	/nfs/dbraw/zinc/09/93/86/177099386.db2.gz	ZCHHQXRDJOPTAX-LBPRGKRZSA-N	1	1	234.343	2.380	40	10		BECBMO