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@@H]1CN(c2nc(N3CC[N@@H+](C[C@@H](C)O)[C@H](CC)C3)ccc2C#N)CC[NH+]1C[C@H](C)O	ZINC000253369463	569263968	/nfs/dbraw/zinc/26/39/68/569263968.db2.gz	CVCPSBKPAACQDD-NPDDRXJXSA-N	2	1	444.624	1.516	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[N@H+](C[C@H](C)O)[C@H](CC)C3)n2)CC[NH+]1C[C@@H](C)O	ZINC000253369463	569263969	/nfs/dbraw/zinc/26/39/69/569263969.db2.gz	CVCPSBKPAACQDD-NPDDRXJXSA-N	2	1	444.624	1.516	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[N@@H+](C[C@H](C)O)[C@H](CC)C3)n2)CC[NH+]1C[C@@H](C)O	ZINC000253369463	569263970	/nfs/dbraw/zinc/26/39/70/569263970.db2.gz	CVCPSBKPAACQDD-NPDDRXJXSA-N	2	1	444.624	1.516	50	30		IDEAMP
O=C(CC[C@H]1CCCN(C(=O)CN2CC(=O)[O+]=N2)C1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000020541922	526568505	/nfs/dbraw/zinc/56/85/05/526568505.db2.gz	MVQJCUSDHUZPQT-HXUWFJFHSA-O	2	1	442.540	1.031	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[NH+](C[C@H](C)O)[C@@H](CC)C3)n2)CC[N@H+]1C[C@@H](C)O	ZINC000253369461	569263995	/nfs/dbraw/zinc/26/39/95/569263995.db2.gz	CVCPSBKPAACQDD-KIZRIRGWSA-N	2	1	444.624	1.516	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[N@H+](C[C@H](C)O)[C@@H](CC)C3)n2)CC[NH+]1C[C@@H](C)O	ZINC000253369461	569263997	/nfs/dbraw/zinc/26/39/97/569263997.db2.gz	CVCPSBKPAACQDD-KIZRIRGWSA-N	2	1	444.624	1.516	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[N@@H+](C[C@H](C)O)[C@@H](CC)C3)n2)CC[NH+]1C[C@@H](C)O	ZINC000253369461	569263999	/nfs/dbraw/zinc/26/39/99/569263999.db2.gz	CVCPSBKPAACQDD-KIZRIRGWSA-N	2	1	444.624	1.516	50	30		IDEAMP
CC[C@@H]1CN(c2nc(N3CC[N@@H+](C[C@H](C)O)[C@H](CC)C3)ccc2C#N)CC[NH+]1C[C@H](C)O	ZINC000225350207	569291920	/nfs/dbraw/zinc/29/19/20/569291920.db2.gz	CVCPSBKPAACQDD-SEIRJHJZSA-N	2	1	444.624	1.516	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[N@H+](C[C@H](C)O)[C@H](CC)C3)n2)CC[NH+]1C[C@H](C)O	ZINC000225350207	569291921	/nfs/dbraw/zinc/29/19/21/569291921.db2.gz	CVCPSBKPAACQDD-SEIRJHJZSA-N	2	1	444.624	1.516	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[N@@H+](C[C@H](C)O)[C@H](CC)C3)n2)CC[NH+]1C[C@H](C)O	ZINC000225350207	569291923	/nfs/dbraw/zinc/29/19/23/569291923.db2.gz	CVCPSBKPAACQDD-SEIRJHJZSA-N	2	1	444.624	1.516	50	30		IDEAMP
O=C(CC[C@@H]1CCCN(C(=O)CN2CC(=O)[O+]=N2)C1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000020541914	526554769	/nfs/dbraw/zinc/55/47/69/526554769.db2.gz	MVQJCUSDHUZPQT-FQEVSTJZSA-O	2	1	442.540	1.031	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[NH+](C[C@H](C)O)[C@@H](CC)C3)n2)CC[N@H+]1C[C@H](C)O	ZINC000253369462	569263954	/nfs/dbraw/zinc/26/39/54/569263954.db2.gz	CVCPSBKPAACQDD-MPJJRAAHSA-N	2	1	444.624	1.516	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[N@H+](C[C@H](C)O)[C@@H](CC)C3)n2)CC[NH+]1C[C@H](C)O	ZINC000253369462	569263955	/nfs/dbraw/zinc/26/39/55/569263955.db2.gz	CVCPSBKPAACQDD-MPJJRAAHSA-N	2	1	444.624	1.516	50	30		IDEAMP
CC[C@@H]1CN(c2ccc(C#N)c(N3CC[N@@H+](C[C@H](C)O)[C@@H](CC)C3)n2)CC[NH+]1C[C@H](C)O	ZINC000253369462	569263956	/nfs/dbraw/zinc/26/39/56/569263956.db2.gz	CVCPSBKPAACQDD-MPJJRAAHSA-N	2	1	444.624	1.516	50	30		IDEAMP