smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nc(C(=O)NCCN2CCCCC2)c2c1CC[C@H]([NH2+]Cc1ccc(Cl)cc1)C2	ZINC000014533620	527545129	/nfs/dbraw/zinc/54/51/29/527545129.db2.gz	HGKMMEUFWATMRW-IBGZPJMESA-N	1	3	429.996	2.936	10	0		IFAEHO
COc1ccc(C[NH2+]CCc2ccccc2C)cc1OC[C@@H](O)CN1CCCN(C)CC1	ZINC000020598823	524071137	/nfs/dbraw/zinc/07/11/37/524071137.db2.gz	XJBRJYVFDWSWMM-DEOSSOPVSA-N	1	3	441.616	2.713	10	0		IFAEHO
C[C@H](C(=O)CNC(=O)[C@@H](N)CCCC[NH3+])c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000065734428	569296725	/nfs/dbraw/zinc/29/67/25/569296725.db2.gz	WQRZTXVDPVPVDN-YWZLYKJASA-N	1	3	429.948	2.816	10	0	in-vitro	IFAEHO
COc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1OC[C@H](O)CN1CCC(O)CC1	ZINC000012433006	522467928	/nfs/dbraw/zinc/46/79/28/522467928.db2.gz	QOHSJNOHHPFWHQ-OAQYLSRUSA-N	1	3	439.556	2.663	10	0		IFAEHO
CCN1CCCC[C@@H]1C(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1	ZINC000020915991	521587654	/nfs/dbraw/zinc/58/76/54/521587654.db2.gz	ZLGAIWWKBCRPOU-HSZRJFAPSA-N	1	3	444.620	2.564	10	0		IFAEHO
CCN1CCCC[C@H]1C(=O)N1CCC(Oc2cccc(C(=O)N(C)CC[NH+](C)C)c2)CC1	ZINC000020915998	521597163	/nfs/dbraw/zinc/59/71/63/521597163.db2.gz	ZLGAIWWKBCRPOU-QHCPKHFHSA-N	1	3	444.620	2.564	10	0		IFAEHO
O[C@@H](CNCc1ccccc1)COc1cccc(OC[C@@H](O)C[NH2+]Cc2ccccc2)c1	ZINC000026897912	568924014	/nfs/dbraw/zinc/92/40/14/568924014.db2.gz	FLEHHXFKENQATP-ZEQRLZLVSA-N	1	3	436.552	2.746	10	0		IFAEHO
C[C@@H](C(=O)CNC(=O)[C@@H](N)CCCC[NH3+])c1ccc(Cl)cc1C(=O)c1ccccc1	ZINC000065734430	569296810	/nfs/dbraw/zinc/29/68/10/569296810.db2.gz	WQRZTXVDPVPVDN-QRWLVFNGSA-N	1	3	429.948	2.816	10	0	in-vitro	IFAEHO
COc1cc(CNCCOc2cccnc2)ccc1OC[C@H](O)C[NH+]1CCCCCC1	ZINC000012308968	522452703	/nfs/dbraw/zinc/45/27/03/522452703.db2.gz	VGQLFCIRYJHIGD-OAQYLSRUSA-N	1	3	429.561	2.875	10	0		IFAEHO
COc1ccc(CNCCOc2nonc2C)cc1OC[C@H](O)C[NH+]1CCCCCCC1	ZINC000012593570	524070852	/nfs/dbraw/zinc/07/08/52/524070852.db2.gz	MUSMVCWJJBOZPP-HXUWFJFHSA-N	1	3	448.564	2.561	10	0		IFAEHO
COc1cc(C[NH2+]Cc2cccc3[nH]ccc32)ccc1OC[C@@H](O)CN1CCC(O)CC1	ZINC000012433004	522466283	/nfs/dbraw/zinc/46/62/83/522466283.db2.gz	QOHSJNOHHPFWHQ-NRFANRHFSA-N	1	3	439.556	2.663	10	0		IFAEHO
COc1ccc(CNCCOc2nonc2C)cc1OC[C@@H](O)C[NH+]1CCCCCCC1	ZINC000012593565	524070986	/nfs/dbraw/zinc/07/09/86/524070986.db2.gz	MUSMVCWJJBOZPP-FQEVSTJZSA-N	1	3	448.564	2.561	10	0		IFAEHO
CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](CC(C)C)C1	ZINC000014747376	556441794	/nfs/dbraw/zinc/44/17/94/556441794.db2.gz	DKTKIUJLTIDLHZ-JQVVWYNYSA-N	1	3	432.584	2.959	10	0		IFAEHO
CCN1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](CC(C)C)C1	ZINC000014747376	556441799	/nfs/dbraw/zinc/44/17/99/556441799.db2.gz	DKTKIUJLTIDLHZ-JQVVWYNYSA-N	1	3	432.584	2.959	10	0		IFAEHO
CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@H+](CC(C)C)C1	ZINC000014747375	556442029	/nfs/dbraw/zinc/44/20/29/556442029.db2.gz	DKTKIUJLTIDLHZ-NNMXDRDESA-N	1	3	432.584	2.959	10	0		IFAEHO
CCN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[N@@H+](CC(C)C)C1	ZINC000014747375	556442032	/nfs/dbraw/zinc/44/20/32/556442032.db2.gz	DKTKIUJLTIDLHZ-NNMXDRDESA-N	1	3	432.584	2.959	10	0		IFAEHO
Cn1nc(C(=O)NCCN2CCCCC2)c2c1CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)C2	ZINC000014533621	527544626	/nfs/dbraw/zinc/54/46/26/527544626.db2.gz	HGKMMEUFWATMRW-LJQANCHMSA-N	1	3	429.996	2.936	10	0		IFAEHO
O[C@H](CNCc1ccccc1)COc1cccc(OC[C@H](O)C[NH2+]Cc2ccccc2)c1	ZINC000026897920	568923977	/nfs/dbraw/zinc/92/39/77/568923977.db2.gz	FLEHHXFKENQATP-DNQXCXABSA-N	1	3	436.552	2.746	10	0		IFAEHO
COc1cc(CNCCOc2cccnc2)ccc1OC[C@@H](O)C[NH+]1CCCCCC1	ZINC000012308967	522454373	/nfs/dbraw/zinc/45/43/73/522454373.db2.gz	VGQLFCIRYJHIGD-NRFANRHFSA-N	1	3	429.561	2.875	10	0		IFAEHO
Cc1c(CC[NH+]2CCC(c3noc4cc(F)ccc43)CC2)c(=O)n2c([n+]1[O-])CCCC2	ZINC000077312921	569293515	/nfs/dbraw/zinc/29/35/15/569293515.db2.gz	KDVKWCIHWLGWLD-UHFFFAOYSA-N	1	3	426.492	2.829	10	0	in-vitro	IFAEHO
COc1ccc(C[NH2+]CCc2ccccc2C)cc1OC[C@H](O)CN1CCCN(C)CC1	ZINC000020598824	524070867	/nfs/dbraw/zinc/07/08/67/524070867.db2.gz	XJBRJYVFDWSWMM-XMMPIXPASA-N	1	3	441.616	2.713	10	0		IFAEHO