smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1c(/C=N\N2C[C@@H](C[NH+]3CCOCC3)OC2=O)ncc1[N+](=O)[O-]	ZINC000031291669	202204406	/nfs/dbraw/zinc/20/44/06/202204406.db2.gz	RILWUTQZRXWBOB-WRCICQQISA-N	1	2	338.324	-0.185	40	30	in-man	EBEBLO
C[N@@H+]1CCN(CC#N)C(=O)C12CCN(C(=O)c1cnccn1)CC2	ZINC000096230118	376499251	/nfs/dbraw/zinc/49/92/51/376499251.db2.gz	VKVKJGWHWSJTCH-UHFFFAOYSA-N	1	2	328.376	-0.251	40	30		EBEBLO
C[N@H+]1CCN(CC#N)C(=O)C12CCN(C(=O)c1cnccn1)CC2	ZINC000096230118	376499259	/nfs/dbraw/zinc/49/92/59/376499259.db2.gz	VKVKJGWHWSJTCH-UHFFFAOYSA-N	1	2	328.376	-0.251	40	30		EBEBLO
CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccc(C#N)cc3)C2)C1=O	ZINC000225385219	277020212	/nfs/dbraw/zinc/02/02/12/277020212.db2.gz	IAMLCJYIOYIXDQ-CABCVRRESA-N	1	2	340.383	-0.454	40	30	biogenic,in-vitro	EBEBLO
C[N@@H+]1CCN(CC#N)C(=O)C12CCN(S(=O)(=O)C1CC1)CC2	ZINC000096230116	290038345	/nfs/dbraw/zinc/03/83/45/290038345.db2.gz	IRQXCIKHNQGLCY-UHFFFAOYSA-N	1	2	326.422	-0.389	40	30		EBEBLO
C[N@H+]1CCN(CC#N)C(=O)C12CCN(S(=O)(=O)C1CC1)CC2	ZINC000096230116	290038348	/nfs/dbraw/zinc/03/83/48/290038348.db2.gz	IRQXCIKHNQGLCY-UHFFFAOYSA-N	1	2	326.422	-0.389	40	30		EBEBLO
Cn1c(/C=N/N2C[C@H](C[NH+]3CCOCC3)OC2=O)ncc1[N+](=O)[O-]	ZINC000030691080	376034162	/nfs/dbraw/zinc/03/41/62/376034162.db2.gz	RILWUTQZRXWBOB-JFEKIERCSA-N	1	2	338.324	-0.185	40	30	in-man	EBEBLO
Cn1c(/C=N\N2C[C@H](C[NH+]3CCOCC3)OC2=O)ncc1[N+](=O)[O-]	ZINC000017108685	379760632	/nfs/dbraw/zinc/76/06/32/379760632.db2.gz	RILWUTQZRXWBOB-YSIZRHRHSA-N	1	2	338.324	-0.185	40	30	in-man	EBEBLO
COc1ccc(S(=O)(=O)NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-])cc1	ZINC000002560663	375885752	/nfs/dbraw/zinc/88/57/52/375885752.db2.gz	DCTOTIRHYVFLFF-NSHDSACASA-N	1	2	344.393	-0.520	40	30		EBEBLO
C[N@@H+]1CCN(CC#N)C(=O)C12CCN(C(=O)c1ccnnc1)CC2	ZINC000096050092	376487274	/nfs/dbraw/zinc/48/72/74/376487274.db2.gz	GNYRVFRMZSHVSV-UHFFFAOYSA-N	1	2	328.376	-0.251	40	30		EBEBLO
C[N@H+]1CCN(CC#N)C(=O)C12CCN(C(=O)c1ccnnc1)CC2	ZINC000096050092	376487280	/nfs/dbraw/zinc/48/72/80/376487280.db2.gz	GNYRVFRMZSHVSV-UHFFFAOYSA-N	1	2	328.376	-0.251	40	30		EBEBLO
Cn1c(/C=N/N2C[C@@H](C[NH+]3CCOCC3)OC2=O)ncc1[N+](=O)[O-]	ZINC000017108683	375998821	/nfs/dbraw/zinc/99/88/21/375998821.db2.gz	RILWUTQZRXWBOB-UWJMNNEMSA-N	1	2	338.324	-0.185	40	30	in-man	EBEBLO