smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000097162627	185418107	/nfs/dbraw/zinc/41/81/07/185418107.db2.gz	XMXTUUKHHMRBEY-MRXNPFEDSA-N	2	1	321.440	2.094	50	10		DECAMP
C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000097162627	185418108	/nfs/dbraw/zinc/41/81/08/185418108.db2.gz	XMXTUUKHHMRBEY-MRXNPFEDSA-N	2	1	321.440	2.094	50	10		DECAMP
C[NH+](C)Cc1cc(C[NH+]2CCC3(CC[N@@H+](C)C3)CC2)ccc1O	ZINC000067852501	282145751	/nfs/dbraw/zinc/14/57/51/282145751.db2.gz	SIIJTHGHGRKWSN-UHFFFAOYSA-N	3	1	317.477	2.372	50	10		DECAMP
COc1ccc(N2CC[N@@H+](C[C@H]3CC[NH2+]C3)CC2(C)C)cc1	ZINC000107120841	402226305	/nfs/dbraw/zinc/22/63/05/402226305.db2.gz	PCAPVYMLUTUKNL-HNNXBMFYSA-N	2	1	303.450	2.205	50	10		DECAMP
C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000097162626	402113333	/nfs/dbraw/zinc/11/33/33/402113333.db2.gz	XMXTUUKHHMRBEY-INIZCTEOSA-N	2	1	321.440	2.094	50	10		DECAMP
C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCOCC3)c(F)c2)C1	ZINC000097162626	402113334	/nfs/dbraw/zinc/11/33/34/402113334.db2.gz	XMXTUUKHHMRBEY-INIZCTEOSA-N	2	1	321.440	2.094	50	10		DECAMP
COc1ccc(N2CC[N@@H+](C[C@@H]3CC[NH2+]C3)CC2(C)C)cc1	ZINC000077471789	401816591	/nfs/dbraw/zinc/81/65/91/401816591.db2.gz	PCAPVYMLUTUKNL-OAHLLOKOSA-N	2	1	303.450	2.205	50	10		DECAMP