smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC[C@@H](C)[N@H+](C)C[C@@H](O)C[NH3+]	218647680	344414336	/nfs/dbraw/zinc/41/43/36/344414336.db2.gz	XNXAPYXBXMADAS-SFYZADRCSA-N	2	0	176.260	-0.727	20	70		ABIDRP
COC[C@H](C)[N@H+](C)C[C@@H](O)C[NH3+]	218647764	344414733	/nfs/dbraw/zinc/41/47/33/344414733.db2.gz	XNXAPYXBXMADAS-YUMQZZPRSA-N	2	0	176.260	-0.727	20	70		ABIDRP
C[NH2+]CC(=O)NC[C@H](C)[NH+]1CCCC1	161042909	486979048	/nfs/dbraw/zinc/97/90/48/486979048.db2.gz	DGIHDXQWWADAGS-VIFPVBQESA-N	2	0	199.298	-0.194	20	70		ABIDRP
C[NH+](C)CC(=O)NCC1=CC[NH2+]CC1	160510310	486974299	/nfs/dbraw/zinc/97/42/99/486974299.db2.gz	RABFTAJPUBDNRX-UHFFFAOYSA-N	2	0	197.282	-0.416	20	70		ABIDRP
C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1	161053292	486978304	/nfs/dbraw/zinc/97/83/04/486978304.db2.gz	DNCABURXHQMIDO-RKDXNWHRSA-N	2	0	199.298	-0.066	20	70		ABIDRP
C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]1CCCC1	161044812	486978404	/nfs/dbraw/zinc/97/84/04/486978404.db2.gz	DNCABURXHQMIDO-IUCAKERBSA-N	2	0	199.298	-0.066	20	70		ABIDRP
C[C@@H](CNC(=O)[C@@H](C)[NH3+])[NH+]1CCCC1	161053432	486978588	/nfs/dbraw/zinc/97/85/88/486978588.db2.gz	DNCABURXHQMIDO-DTWKUNHWSA-N	2	0	199.298	-0.066	20	70		ABIDRP
C[NH2+]CC(=O)NC[C@@H](C)[NH+]1CCCC1	161043039	486978710	/nfs/dbraw/zinc/97/87/10/486978710.db2.gz	DGIHDXQWWADAGS-SECBINFHSA-N	2	0	199.298	-0.194	20	70		ABIDRP
C[C@H]([NH3+])C(=O)NC[C@@H](C)[NH+]1CCCC1	161044684	486978843	/nfs/dbraw/zinc/97/88/43/486978843.db2.gz	DNCABURXHQMIDO-BDAKNGLRSA-N	2	0	199.298	-0.066	20	70		ABIDRP