smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)cc1OC	ZINC000001582568	401708183	/nfs/dbraw/zinc/70/81/83/401708183.db2.gz	WPVFLUXMRUARBD-VQHVLOKHSA-N	2	2	320.433	2.026	40	30		DEEBLP
C=C(C[NH+](C)C)C(=O)c1ccc(C(=O)C(=C)C[NH+](C)C)cc1	ZINC000031961787	401875441	/nfs/dbraw/zinc/87/54/41/401875441.db2.gz	QJBUMVFCPZHMDC-UHFFFAOYSA-N	2	2	300.402	2.288	40	30		DEEBLP
COc1ccc(/C=C\C(=O)C(C)(C[NH+](C)C)C[NH+](C)C)cc1	ZINC000031792880	401874072	/nfs/dbraw/zinc/87/40/72/401874072.db2.gz	FEALWMXWIXJUGQ-XFXZXTDPSA-N	2	2	304.434	2.407	40	30		DEEBLP
COc1ccc(C=CC(=O)C(C[NH+](C)C)C[NH+](C)C)cc1OC	ZINC000017139649	182077156	/nfs/dbraw/zinc/07/71/56/182077156.db2.gz	WPVFLUXMRUARBD-CLFYSBASSA-N	2	2	320.433	2.026	40	30		DEEBLP
C[N@@H+]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCC3)sc2C1	ZINC000408580531	529812044	/nfs/dbraw/zinc/81/20/44/529812044.db2.gz	CEPYAVNWEBFOKL-UHFFFAOYSA-N	2	2	318.446	2.032	40	30		DEEBLP
C[N@H+]1CCc2c(C#N)c(NC(=O)C[NH+]3CCCCC3)sc2C1	ZINC000408580531	529812045	/nfs/dbraw/zinc/81/20/45/529812045.db2.gz	CEPYAVNWEBFOKL-UHFFFAOYSA-N	2	2	318.446	2.032	40	30		DEEBLP
COc1ccc(/C=C/C(=O)C(C)(C[NH+](C)C)C[NH+](C)C)cc1	ZINC000001607768	401709325	/nfs/dbraw/zinc/70/93/25/401709325.db2.gz	FEALWMXWIXJUGQ-FMIVXFBMSA-N	2	2	304.434	2.407	40	30		DEEBLP
C[NH+](C)CC[N+](C)(C)CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000002280784	289185486	/nfs/dbraw/zinc/18/54/86/289185486.db2.gz	BVKFXPKXEGSBAJ-RLFYNMQTSA-N	2	2	311.490	2.382	40	30		DEEBLP
C[NH+](C)CC[N+](C)(C)CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000002280786	282114862	/nfs/dbraw/zinc/11/48/62/282114862.db2.gz	BVKFXPKXEGSBAJ-HDMKZQKVSA-N	2	2	311.490	2.382	40	30		DEEBLP