smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])C2)C1	ZINC001164722876	720309760	/nfs/dbraw/zinc/30/97/60/720309760.db2.gz	MSZSNDKYFJGCCR-QGZVFWFLSA-N	0	2	447.870	1.038	20	0		IDADLN
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])C2)C1	ZINC001164722876	720309765	/nfs/dbraw/zinc/30/97/65/720309765.db2.gz	MSZSNDKYFJGCCR-QGZVFWFLSA-N	0	2	447.870	1.038	20	0		IDADLN
O=C([O-])[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccccc1	ZINC000780570532	939134709	/nfs/dbraw/zinc/13/47/09/939134709.db2.gz	NKCSEBPHTRJBIY-FXAWDEMLSA-N	0	2	440.504	1.407	20	0		IDADLN
O=C([O-])[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1	ZINC000780570532	939134711	/nfs/dbraw/zinc/13/47/11/939134711.db2.gz	NKCSEBPHTRJBIY-FXAWDEMLSA-N	0	2	440.504	1.407	20	0		IDADLN
O=C([O-])[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccccc1	ZINC000780570533	939134743	/nfs/dbraw/zinc/13/47/43/939134743.db2.gz	NKCSEBPHTRJBIY-PXNSSMCTSA-N	0	2	440.504	1.407	20	0		IDADLN
O=C([O-])[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1	ZINC000780570533	939134745	/nfs/dbraw/zinc/13/47/45/939134745.db2.gz	NKCSEBPHTRJBIY-PXNSSMCTSA-N	0	2	440.504	1.407	20	0		IDADLN
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])C2)C1	ZINC001164722874	720309713	/nfs/dbraw/zinc/30/97/13/720309713.db2.gz	MSZSNDKYFJGCCR-KRWDZBQOSA-N	0	2	447.870	1.038	20	0		IDADLN
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(F)(F)c3cc(Cl)nnc3C(=O)[O-])C2)C1	ZINC001164722874	720309721	/nfs/dbraw/zinc/30/97/21/720309721.db2.gz	MSZSNDKYFJGCCR-KRWDZBQOSA-N	0	2	447.870	1.038	20	0		IDADLN
O=C([O-])[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCCCC1	ZINC000780569478	939133702	/nfs/dbraw/zinc/13/37/02/939133702.db2.gz	BVGKXJKODPRBHM-FXAWDEMLSA-N	0	2	446.552	1.615	20	0		IDADLN
O=C([O-])[C@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCCCC1	ZINC000780569478	939133704	/nfs/dbraw/zinc/13/37/04/939133704.db2.gz	BVGKXJKODPRBHM-FXAWDEMLSA-N	0	2	446.552	1.615	20	0		IDADLN
Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4nccnc4CC(=O)[O-])CC3)C2=O)cs1	ZINC001164820610	720377384	/nfs/dbraw/zinc/37/73/84/720377384.db2.gz	QBCYXOHKNZWMAL-UHFFFAOYSA-N	0	2	430.534	1.182	20	0		IDADLN
Cc1nc(CN2CC[N@H+](C)C3(CCN(c4nccnc4CC(=O)[O-])CC3)C2=O)cs1	ZINC001164820610	720377385	/nfs/dbraw/zinc/37/73/85/720377385.db2.gz	QBCYXOHKNZWMAL-UHFFFAOYSA-N	0	2	430.534	1.182	20	0		IDADLN
O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCCCC1	ZINC000780569487	939134073	/nfs/dbraw/zinc/13/40/73/939134073.db2.gz	BVGKXJKODPRBHM-XLIONFOSSA-N	0	2	446.552	1.615	20	0		IDADLN
O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCCCC1	ZINC000780569487	939134077	/nfs/dbraw/zinc/13/40/77/939134077.db2.gz	BVGKXJKODPRBHM-XLIONFOSSA-N	0	2	446.552	1.615	20	0		IDADLN
O=C([O-])[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCCCC1	ZINC000780569490	939133950	/nfs/dbraw/zinc/13/39/50/939133950.db2.gz	BVGKXJKODPRBHM-YLJYHZDGSA-N	0	2	446.552	1.615	20	0		IDADLN
O=C([O-])[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCCCC1	ZINC000780569490	939133955	/nfs/dbraw/zinc/13/39/55/939133955.db2.gz	BVGKXJKODPRBHM-YLJYHZDGSA-N	0	2	446.552	1.615	20	0		IDADLN
O=C([O-])[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)C1CCCCC1	ZINC000780569482	939133813	/nfs/dbraw/zinc/13/38/13/939133813.db2.gz	BVGKXJKODPRBHM-PXNSSMCTSA-N	0	2	446.552	1.615	20	0		IDADLN
O=C([O-])[C@@H](NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)C1CCCCC1	ZINC000780569482	939133817	/nfs/dbraw/zinc/13/38/17/939133817.db2.gz	BVGKXJKODPRBHM-PXNSSMCTSA-N	0	2	446.552	1.615	20	0		IDADLN
O=C([O-])C1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCCCC1	ZINC000780569503	939133843	/nfs/dbraw/zinc/13/38/43/939133843.db2.gz	BYSHMDQZDOQXNA-MRXNPFEDSA-N	0	2	432.525	1.369	20	0		IDADLN
O=C([O-])C1(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCCCC1	ZINC000780569503	939133848	/nfs/dbraw/zinc/13/38/48/939133848.db2.gz	BYSHMDQZDOQXNA-MRXNPFEDSA-N	0	2	432.525	1.369	20	0		IDADLN
O=C([O-])[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccccc1	ZINC000780570535	939134790	/nfs/dbraw/zinc/13/47/90/939134790.db2.gz	NKCSEBPHTRJBIY-YLJYHZDGSA-N	0	2	440.504	1.407	20	0		IDADLN
O=C([O-])[C@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1	ZINC000780570535	939134791	/nfs/dbraw/zinc/13/47/91/939134791.db2.gz	NKCSEBPHTRJBIY-YLJYHZDGSA-N	0	2	440.504	1.407	20	0		IDADLN
O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)c1ccccc1	ZINC000780570534	939134807	/nfs/dbraw/zinc/13/48/07/939134807.db2.gz	NKCSEBPHTRJBIY-XLIONFOSSA-N	0	2	440.504	1.407	20	0		IDADLN
O=C([O-])[C@@H](NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)c1ccccc1	ZINC000780570534	939134809	/nfs/dbraw/zinc/13/48/09/939134809.db2.gz	NKCSEBPHTRJBIY-XLIONFOSSA-N	0	2	440.504	1.407	20	0		IDADLN
O=C([O-])C1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CCCCC1	ZINC000780569500	939133999	/nfs/dbraw/zinc/13/39/99/939133999.db2.gz	BYSHMDQZDOQXNA-INIZCTEOSA-N	0	2	432.525	1.369	20	0		IDADLN
O=C([O-])C1(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CCCCC1	ZINC000780569500	939134003	/nfs/dbraw/zinc/13/40/03/939134003.db2.gz	BYSHMDQZDOQXNA-INIZCTEOSA-N	0	2	432.525	1.369	20	0		IDADLN