smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C(/C=C\c1ccccc1)=[NH+]\CCCCCC/[NH+]=C\C=C/c1ccccc1	ZINC000017314995	518369580	/nfs/dbraw/zinc/36/95/80/518369580.db2.gz	ATPFMBHTMKBVLS-RLXKVISOSA-N	2	0	344.502	6.115	50	30		EKEARP
C(=C/c1ccccc1)\C=[NH+]\CCCCCC/[NH+]=C\C=C/c1ccccc1	ZINC000017315001	518370917	/nfs/dbraw/zinc/37/09/17/518370917.db2.gz	ATPFMBHTMKBVLS-IOCYPOQMSA-N	2	0	344.502	6.115	50	30		EKEARP
C(=C/c1ccccc1)\C=[NH+]\CCCCCC/[NH+]=C/C=C/c1ccccc1	ZINC000031291971	518371728	/nfs/dbraw/zinc/37/17/28/518371728.db2.gz	ATPFMBHTMKBVLS-CMVXGDORSA-N	2	0	344.502	6.115	50	30		EKEARP
CCCCCCCC[N+]1(C)CC[N+](C)(CCCCCCCC)CC1	ZINC000097990141	219065638	/nfs/dbraw/zinc/06/56/38/219065638.db2.gz	GBJYIMJSRBVRJC-UHFFFAOYSA-N	2	0	340.640	5.614	50	30		EKEARP
Cc1ccccc1/N=C1\c2ccccc2/C(=N\c2ccccc2C)N1C	ZINC000100705862	219105295	/nfs/dbraw/zinc/10/52/95/219105295.db2.gz	VEXAFTXAMHVGTD-BQASJOSNSA-N	2	0	339.442	5.405	50	30		EKEARP
CCCCCCCCCCCCCCCCCC[NH2+]CCC[NH3+]	ZINC000100939118	219111896	/nfs/dbraw/zinc/11/18/96/219111896.db2.gz	DXYUWQFEDOQSQY-UHFFFAOYSA-N	2	0	326.613	6.186	50	30		EKEARP
C(/C=C\c1ccccc1)=[NH+]\CCCCCC/[NH+]=C/C=C\c1ccccc1	ZINC000138226930	564094539	/nfs/dbraw/zinc/09/45/39/564094539.db2.gz	ATPFMBHTMKBVLS-UQKIGXOPSA-N	2	0	344.502	6.115	50	30		EKEARP
C(=C/c1ccccc1)\C=[NH+]\CCCCCC/[NH+]=C/C=C\c1ccccc1	ZINC000138227035	563937744	/nfs/dbraw/zinc/93/77/44/563937744.db2.gz	ATPFMBHTMKBVLS-NWWNNFLXSA-N	2	0	344.502	6.115	50	30		EKEARP