smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCC[NH+](CCCCCC)CC(=O)[C@@H](C#N)c1ccccc1	ZINC000004931771	210327424	/nfs/dbraw/zinc/32/74/24/210327424.db2.gz	JWMRSOCUKCCBTD-NRFANRHFSA-N	1	1	342.527	5.325	10	30		EKEEMO
CCCCCC[NH+](CCCCCC)CC(=O)[C@H](C#N)c1ccccc1	ZINC000004931776	520075143	/nfs/dbraw/zinc/07/51/43/520075143.db2.gz	JWMRSOCUKCCBTD-OAQYLSRUSA-N	1	1	342.527	5.325	10	30		EKEEMO
C/C(=N\[C@@H]1CC(C)(C)C[C@](C)(C/[NH+]=C(\C)C(C)(C)C)C1)C(C)(C)C	ZINC000038656224	518457789	/nfs/dbraw/zinc/45/77/89/518457789.db2.gz	RPBFAJAXXBIRDR-SSSRKXFKSA-N	1	1	334.592	6.585	10	30		EKEEMO
C/C(=N\[C@@H]1CC(C)(C)C[C@@](C)(C/[NH+]=C(\C)C(C)(C)C)C1)C(C)(C)C	ZINC000038656226	518457459	/nfs/dbraw/zinc/45/74/59/518457459.db2.gz	RPBFAJAXXBIRDR-DZVNMASMSA-N	1	1	334.592	6.585	10	30		EKEEMO
C/C(=N\[C@H]1CC(C)(C)C[C@](C)(C/[NH+]=C(\C)C(C)(C)C)C1)C(C)(C)C	ZINC000038656229	518457493	/nfs/dbraw/zinc/45/74/93/518457493.db2.gz	RPBFAJAXXBIRDR-DYJSBLEESA-N	1	1	334.592	6.585	10	30		EKEEMO
C/C(=N\[C@H]1CC(C)(C)C[C@@](C)(C/[NH+]=C(\C)C(C)(C)C)C1)C(C)(C)C	ZINC000038656232	518457831	/nfs/dbraw/zinc/45/78/31/518457831.db2.gz	RPBFAJAXXBIRDR-OKISXRFESA-N	1	1	334.592	6.585	10	30		EKEEMO
Cc1cc(Nc2cccc(C#N)c2)c2ccc(C(F)(F)F)cc2[nH+]1	ZINC000040570935	213352679	/nfs/dbraw/zinc/35/26/79/213352679.db2.gz	FTHGKYVZZZGTMN-UHFFFAOYSA-N	1	1	327.309	5.177	10	30		EKEEMO
CCCCCCCCO[C@@]1(C#N)C=CC(/[NH+]=C\c2ccccc2)=CC1	ZINC000103708648	219320068	/nfs/dbraw/zinc/32/00/68/219320068.db2.gz	AKRZJIBDDZQELO-WPJOPHNKSA-N	1	1	336.479	5.589	10	30		EKEEMO
CCCCCCCCO[C@@]1(C#N)C=CC(/[NH+]=C/c2ccccc2)=CC1	ZINC000103708653	219319839	/nfs/dbraw/zinc/31/98/39/219319839.db2.gz	AKRZJIBDDZQELO-UWODKOOBSA-N	1	1	336.479	5.589	10	30		EKEEMO
CCCCCCCCO[C@]1(C#N)C=CC(/[NH+]=C\c2ccccc2)=CC1	ZINC000103708657	219319592	/nfs/dbraw/zinc/31/95/92/219319592.db2.gz	AKRZJIBDDZQELO-GRCQKCIOSA-N	1	1	336.479	5.589	10	30		EKEEMO
CCCCCCCCO[C@]1(C#N)C=CC(/[NH+]=C/c2ccccc2)=CC1	ZINC000103708663	219320232	/nfs/dbraw/zinc/32/02/32/219320232.db2.gz	AKRZJIBDDZQELO-DNQXDJSBSA-N	1	1	336.479	5.589	10	30		EKEEMO
C/C(CC(C)C)=N\[C@@H]1CC(C)(C)C[C@](C)(C/[NH+]=C(/C)CC(C)C)C1	ZINC000103843852	219325991	/nfs/dbraw/zinc/32/59/91/219325991.db2.gz	OWNXVBPEGAEACG-HJIVVVAQSA-N	1	1	334.592	6.585	10	30		EKEEMO
C/C(CC(C)C)=N\[C@@H]1CC(C)(C)C[C@](C)(C/[NH+]=C(\C)CC(C)C)C1	ZINC000103843857	219326296	/nfs/dbraw/zinc/32/62/96/219326296.db2.gz	OWNXVBPEGAEACG-XROBVTJYSA-N	1	1	334.592	6.585	10	30		EKEEMO
C/C(CC(C)C)=[NH+]\C[C@]1(C)C[C@H](/N=C(/C)CC(C)C)CC(C)(C)C1	ZINC000103843866	219325757	/nfs/dbraw/zinc/32/57/57/219325757.db2.gz	OWNXVBPEGAEACG-DXNRNQADSA-N	1	1	334.592	6.585	10	30		EKEEMO