smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC(CC)(C[NH3+])C(=O)N1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000161303589	525076231	/nfs/dbraw/zinc/07/62/31/525076231.db2.gz	RFHAASZRVBWJAY-KRWDZBQOSA-N	2	0	354.539	1.005	10	70		FDIERP
C[C@@H]1C[C@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1	ZINC000160146465	524819069	/nfs/dbraw/zinc/81/90/69/524819069.db2.gz	KOQIMZYEMMTRHM-HOJAQTOUSA-N	2	0	374.529	1.795	10	70		FDIERP
CC(C)[N@H+]1C[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C1	ZINC000161089927	525030611	/nfs/dbraw/zinc/03/06/11/525030611.db2.gz	OTEZIECWSUQZFQ-PXNSSMCTSA-N	2	0	358.530	1.893	10	70		FDIERP
C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[N@@H+]1Cc1ccccc1	ZINC000160095922	173698964	/nfs/dbraw/zinc/69/89/64/173698964.db2.gz	JAXTVUWOSVWLAT-BHIYHBOVSA-N	2	0	360.502	1.621	10	70		FDIERP
CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H](C)C1	ZINC000161132282	525039795	/nfs/dbraw/zinc/03/97/95/525039795.db2.gz	VVKJNRNUWHUYDZ-PXNSSMCTSA-N	2	0	358.530	1.893	10	70		FDIERP
CC(C)[N@H+]1C[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C1	ZINC000161362717	525087952	/nfs/dbraw/zinc/08/79/52/525087952.db2.gz	KJLHPQVJBICVSZ-ROUUACIJSA-N	2	0	359.518	1.439	10	70		FDIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1	ZINC000159672511	524718199	/nfs/dbraw/zinc/71/81/99/524718199.db2.gz	GWAJJYQRPFOGLQ-QZTJIDSGSA-N	2	0	353.555	1.290	10	70		FDIERP
C[C@@H]1C[C@@H](NC(=O)NC[C@H](O)C[NH+]2CCCCC2)C[N@@H+]1Cc1ccccc1	ZINC000160146749	524818002	/nfs/dbraw/zinc/81/80/02/524818002.db2.gz	KOQIMZYEMMTRHM-RLLQIKCJSA-N	2	0	374.529	1.795	10	70		FDIERP
C[N@H+](CCN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)Cc1ccc(F)cc1	ZINC000160291529	524849865	/nfs/dbraw/zinc/84/98/65/524849865.db2.gz	DHNVKSXDZFNKBU-IBGZPJMESA-N	2	0	362.493	1.496	10	70		FDIERP
C[C@H]1CCCN(c2cc(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ncn2)C1	ZINC000160783609	524969779	/nfs/dbraw/zinc/96/97/79/524969779.db2.gz	KREIYTDYFGKLQJ-DOTOQJQBSA-N	2	0	372.517	1.631	10	70		FDIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1	ZINC000161132127	525038532	/nfs/dbraw/zinc/03/85/32/525038532.db2.gz	VVKJNRNUWHUYDZ-XLIONFOSSA-N	2	0	358.530	1.893	10	70		FDIERP
CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1	ZINC000159679408	524718759	/nfs/dbraw/zinc/71/87/59/524718759.db2.gz	LOHWWRRFVZIBFS-RBUKOAKNSA-N	2	0	367.582	1.680	10	70		FDIERP
C[N@H+](CCN1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)Cc1ccc(F)cc1	ZINC000160291405	524850662	/nfs/dbraw/zinc/85/06/62/524850662.db2.gz	DHNVKSXDZFNKBU-LJQANCHMSA-N	2	0	362.493	1.496	10	70		FDIERP
CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1	ZINC000159679546	524718328	/nfs/dbraw/zinc/71/83/28/524718328.db2.gz	LOHWWRRFVZIBFS-RTBURBONSA-N	2	0	367.582	1.680	10	70		FDIERP
CC(C)[N@@H+]1CCO[C@H](CN2CCN(CCC[NH+]3CCCCC3)CC2)C1	ZINC000160951734	525002891	/nfs/dbraw/zinc/00/28/91/525002891.db2.gz	CSKXJZLNAZNAIT-HXUWFJFHSA-N	2	0	352.567	1.589	10	70		FDIERP
C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCO[C@H](C[NH+](C)C)C1	ZINC000159922404	524769175	/nfs/dbraw/zinc/76/91/75/524769175.db2.gz	XCEJGMDSKCACFJ-QRQLOZEOSA-N	2	0	360.502	1.479	10	70		FDIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1	ZINC000161089804	525031671	/nfs/dbraw/zinc/03/16/71/525031671.db2.gz	OTEZIECWSUQZFQ-XLIONFOSSA-N	2	0	358.530	1.893	10	70		FDIERP
CCC(CC)(C[NH3+])C(=O)N1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1	ZINC000161303450	525077410	/nfs/dbraw/zinc/07/74/10/525077410.db2.gz	RFHAASZRVBWJAY-QGZVFWFLSA-N	2	0	354.539	1.005	10	70		FDIERP
C[C@@H]1CCCN(c2cc(N3CCC([N@@H+]4CCC[C@@H]4C(N)=O)CC3)ncn2)C1	ZINC000160783496	524970066	/nfs/dbraw/zinc/97/00/66/524970066.db2.gz	KREIYTDYFGKLQJ-NVXWUHKLSA-N	2	0	372.517	1.631	10	70		FDIERP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1	ZINC000159672603	524718514	/nfs/dbraw/zinc/71/85/14/524718514.db2.gz	GWAJJYQRPFOGLQ-ZWKOTPCHSA-N	2	0	353.555	1.290	10	70		FDIERP
C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH+](C)C)C2)C[N@@H+]1Cc1ccccc1	ZINC000160095656	173698265	/nfs/dbraw/zinc/69/82/65/173698265.db2.gz	JAXTVUWOSVWLAT-NZSAHSFTSA-N	2	0	360.502	1.621	10	70		FDIERP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1	ZINC000161362589	525088594	/nfs/dbraw/zinc/08/85/94/525088594.db2.gz	KJLHPQVJBICVSZ-MSOLQXFVSA-N	2	0	359.518	1.439	10	70		FDIERP
CC(C)[N@@H+]1CCO[C@@H](CN2CCN(CCC[NH+]3CCCCC3)CC2)C1	ZINC000160951841	525001898	/nfs/dbraw/zinc/00/18/98/525001898.db2.gz	CSKXJZLNAZNAIT-FQEVSTJZSA-N	2	0	352.567	1.589	10	70		FDIERP