smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)OC(=O)C(=O)C[N+]#N	78972306	537875386	/nfs/dbraw/zinc/87/53/86/537875386.db2.gz	YSXHGTQUSBTHDI-UHFFFAOYSA-N	1	1	170.168	0.198	50	10		ACCAMO
COC(=O)[C@@H]([NH3+])c1ccccc1O	38476046	168108102	/nfs/dbraw/zinc/10/81/02/168108102.db2.gz	RWNAZSKIOHFTBS-QMMMGPOBSA-N	1	1	181.191	0.565	50	10	in-vitro	ACCAMO
COC(=O)[C@H]([NH3+])Cc1ccc(N)cc1	13346562	168118800	/nfs/dbraw/zinc/11/88/00/168118800.db2.gz	VWHHEDIHZWZRTF-SECBINFHSA-N	1	1	194.234	0.312	50	10		ACCAMO
COC(=O)[C@H]([NH3+])c1ccccc1O	13910302	168121171	/nfs/dbraw/zinc/12/11/71/168121171.db2.gz	RWNAZSKIOHFTBS-MRVPVSSYSA-N	1	1	181.191	0.565	50	10	in-vitro	ACCAMO
COC(=O)c1ccc(O)c(C[NH3+])c1	30952854	168132282	/nfs/dbraw/zinc/13/22/82/168132282.db2.gz	YZSHPWZCVMDQNE-UHFFFAOYSA-N	1	1	181.191	0.638	50	10		ACCAMO
[NH3+]CC(=O)c1ccc(O)c(O)c1	37629258	169177306	/nfs/dbraw/zinc/17/73/06/169177306.db2.gz	CNFQARFTXUBHJY-UHFFFAOYSA-N	1	1	167.164	0.239	50	10		ACCAMO
[NH3+]CCc1cc(O)c(O)cc1[N+](=O)[O-]	13586822	169196198	/nfs/dbraw/zinc/19/61/98/169196198.db2.gz	GAWRYVJRKWPEFX-UHFFFAOYSA-N	1	1	198.178	0.507	50	10		ACCAMO
[NH3+]Cc1c(O)cccc1F	44250300	169218980	/nfs/dbraw/zinc/21/89/80/169218980.db2.gz	CLICUVYVKPHOAC-UHFFFAOYSA-N	1	1	141.145	0.990	50	10	in-vitro	ACCAMO
[NH3+]Cc1ccc(F)cc1O	82848500	169223324	/nfs/dbraw/zinc/22/33/24/169223324.db2.gz	UEMVCBICOZOEQT-UHFFFAOYSA-N	1	1	141.145	0.990	50	10	in-vitro	ACCAMO
[NH3+]Cc1cccc(F)c1O	82631567	169223994	/nfs/dbraw/zinc/22/39/94/169223994.db2.gz	QLUZJQBGKQZJEA-UHFFFAOYSA-N	1	1	141.145	0.990	50	10		ACCAMO
Nc1ccc(C[NH+]2CC(O)C2)cc1	86003134	169291238	/nfs/dbraw/zinc/29/12/38/169291238.db2.gz	IODMYJCLGLMULR-UHFFFAOYSA-N	1	1	178.235	0.445	50	10		ACCAMO
C[NH+](C)CC(=O)Nc1ccc(N)cc1	8703587	343020188	/nfs/dbraw/zinc/02/01/88/343020188.db2.gz	QACLSTIJJPYRJI-UHFFFAOYSA-N	1	1	193.250	0.769	50	10	in-vitro	ACCAMO