smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C#N)ccc1C[N@@H+]1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1	ZINC000328602371	569416530	/nfs/dbraw/zinc/41/65/30/569416530.db2.gz	BLLBCTGGXPWAON-ICSRJNTNSA-N	1	1	409.490	1.532	10	30		HDEEMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1	ZINC000328602371	569416532	/nfs/dbraw/zinc/41/65/32/569416532.db2.gz	BLLBCTGGXPWAON-ICSRJNTNSA-N	1	1	409.490	1.532	10	30		HDEEMO
COc1cc(C#N)ccc1C[N@@H+]1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1	ZINC000328602372	569416513	/nfs/dbraw/zinc/41/65/13/569416513.db2.gz	BLLBCTGGXPWAON-QUCCMNQESA-N	1	1	409.490	1.532	10	30		HDEEMO
COc1cc(C#N)ccc1C[N@H+]1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1	ZINC000328602372	569416515	/nfs/dbraw/zinc/41/65/15/569416515.db2.gz	BLLBCTGGXPWAON-QUCCMNQESA-N	1	1	409.490	1.532	10	30		HDEEMO
C#CCOC[C@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036157104	518308683	/nfs/dbraw/zinc/30/86/83/518308683.db2.gz	DPBPHJFWNDDLIL-OAHLLOKOSA-N	1	1	419.547	1.713	10	30		HDEEMO
C#CCOC[C@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036157104	518308690	/nfs/dbraw/zinc/30/86/90/518308690.db2.gz	DPBPHJFWNDDLIL-OAHLLOKOSA-N	1	1	419.547	1.713	10	30		HDEEMO
C=CCNC(=O)N1CCO[C@H](C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)C1	ZINC000034692133	518905540	/nfs/dbraw/zinc/90/55/40/518905540.db2.gz	PEUMMEJDWPMMLJ-HXUWFJFHSA-N	1	1	400.523	1.739	10	30		HDEEMO
C=CCNC(=O)N1CCO[C@H](C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)C1	ZINC000034692133	518905542	/nfs/dbraw/zinc/90/55/42/518905542.db2.gz	PEUMMEJDWPMMLJ-HXUWFJFHSA-N	1	1	400.523	1.739	10	30		HDEEMO
C=CCNC(=O)N1CCO[C@@H](C[N@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)C1	ZINC000034692134	518905135	/nfs/dbraw/zinc/90/51/35/518905135.db2.gz	PEUMMEJDWPMMLJ-FQEVSTJZSA-N	1	1	400.523	1.739	10	30		HDEEMO
C=CCNC(=O)N1CCO[C@@H](C[N@@H+]2CCCN(C(=O)c3ccc(C)cc3)CC2)C1	ZINC000034692134	518905139	/nfs/dbraw/zinc/90/51/39/518905139.db2.gz	PEUMMEJDWPMMLJ-FQEVSTJZSA-N	1	1	400.523	1.739	10	30		HDEEMO
COCCCNC(=S)N/N=C1\C2CN3CC1(Cc1ccccc1)C[N@@H+](C2)CC3	ZINC000020221023	558349142	/nfs/dbraw/zinc/34/91/42/558349142.db2.gz	MROBYJBNYQCUFQ-FCDQGJHFSA-N	1	1	401.580	1.333	10	30		HDEEMO
C#CCOC[C@@H](O)C[N@@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036157101	518301161	/nfs/dbraw/zinc/30/11/61/518301161.db2.gz	DPBPHJFWNDDLIL-HNNXBMFYSA-N	1	1	419.547	1.713	10	30		HDEEMO
C#CCOC[C@@H](O)C[N@H+](CCCOC)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036157101	518301167	/nfs/dbraw/zinc/30/11/67/518301167.db2.gz	DPBPHJFWNDDLIL-HNNXBMFYSA-N	1	1	419.547	1.713	10	30		HDEEMO