smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#CCN(C)C(=O)C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(C[NH+]2CCN(c3ccccc3)CC2)on1	ZINC000012483000	518252678	/nfs/dbraw/zinc/25/26/78/518252678.db2.gz	MPZBBRZIMARMCY-VXKWHMMOSA-N	2	2	449.599	2.247	40	30	biogenic,in-vitro	IEEBLP
C[NH+]1CCC([N@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3ccc(C#N)cc3)c4=O)C2)CC1	ZINC000004260320	291333051	/nfs/dbraw/zinc/33/30/51/291333051.db2.gz	QMUNSAQDCZKDAN-AZUAARDMSA-N	2	2	431.540	2.486	40	30	biogenic,in-vitro	IEEBLP
C[NH+]1CCC([N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(NC(=O)c3ccc(C#N)cc3)c4=O)C2)CC1	ZINC000004260320	291333056	/nfs/dbraw/zinc/33/30/56/291333056.db2.gz	QMUNSAQDCZKDAN-AZUAARDMSA-N	2	2	431.540	2.486	40	30	biogenic,in-vitro	IEEBLP
CCOC(=O)[C@@](C#N)(C[NH+]1CCCCC1)C[C@](C#N)(C[NH+]1CCCCC1)C(=O)OCC	ZINC000004778107	556011598	/nfs/dbraw/zinc/01/15/98/556011598.db2.gz	XKQGEXLNTGCZQY-GOTSBHOMSA-N	2	2	432.565	2.494	40	30		IEEBLP
CCOC(=O)[C@](C#N)(C[NH+]1CCCCC1)C[C@@](C#N)(C[NH+]1CCCCC1)C(=O)OCC	ZINC000004778108	556011506	/nfs/dbraw/zinc/01/15/06/556011506.db2.gz	XKQGEXLNTGCZQY-DHIUTWEWSA-N	2	2	432.565	2.494	40	30		IEEBLP
N#Cc1c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)sc2c1CC[N@@H+](Cc1ccccc1)C2	ZINC000014162785	557424692	/nfs/dbraw/zinc/42/46/92/557424692.db2.gz	APJJGHWFBSBTQS-UHFFFAOYSA-N	2	2	437.569	2.314	40	30		IEEBLP
N#Cc1c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)sc2c1CC[N@H+](Cc1ccccc1)C2	ZINC000014162785	557424694	/nfs/dbraw/zinc/42/46/94/557424694.db2.gz	APJJGHWFBSBTQS-UHFFFAOYSA-N	2	2	437.569	2.314	40	30		IEEBLP