smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1cccc(F)c1C[NH3+]	71507371	167176926	/nfs/dbraw/zinc/17/69/26/167176926.db2.gz	MJKOFJIJKBDALR-UHFFFAOYSA-N	1	0	196.269	2.131	30	0		AEACRO
CC[C@@H](C)C[C@](CC)(C[NH3+])OC	85099934	167457766	/nfs/dbraw/zinc/45/77/66/167457766.db2.gz	ATKPLRRYWRYPHI-NXEZZACHSA-N	1	0	173.300	2.177	30	0		AEACRO
CC[C@H](C)C[C@@](CC)(C[NH3+])OC	85099932	167601996	/nfs/dbraw/zinc/60/19/96/167601996.db2.gz	ATKPLRRYWRYPHI-UWVGGRQHSA-N	1	0	173.300	2.177	30	0		AEACRO
c1cc(C[NH+]2CCCCC2)ccn1	39234400	171077397	/nfs/dbraw/zinc/07/73/97/171077397.db2.gz	GTPXCGRVFBUXQC-UHFFFAOYSA-N	1	0	176.263	2.068	30	0		AEACRO
CCCC[C@@H]([NH3+])C(C)C	32148472	343098105	/nfs/dbraw/zinc/09/81/05/343098105.db2.gz	WXTMKAIMGVITMT-MRVPVSSYSA-N	1	0	129.247	2.160	30	0		AEACRO
CCCC[C@H]([NH3+])C(C)C	32148476	343098289	/nfs/dbraw/zinc/09/82/89/343098289.db2.gz	WXTMKAIMGVITMT-QMMMGPOBSA-N	1	0	129.247	2.160	30	0		AEACRO
Cc1c(F)cc(Cl)cc1C[NH3+]	79387453	343587050	/nfs/dbraw/zinc/58/70/50/343587050.db2.gz	YAIIFWZZQLTFLO-UHFFFAOYSA-N	1	0	173.618	2.246	30	0		AEACRO
CC[C@H](C)C[C@](CC)(C[NH3+])OC	85099936	343639571	/nfs/dbraw/zinc/63/95/71/343639571.db2.gz	ATKPLRRYWRYPHI-VHSXEESVSA-N	1	0	173.300	2.177	30	0		AEACRO
CC[C@@H](C)C[C@@](CC)(C[NH3+])OC	85099931	351653194	/nfs/dbraw/zinc/65/31/94/351653194.db2.gz	ATKPLRRYWRYPHI-ZJUUUORDSA-N	1	0	173.300	2.177	30	0		AEACRO