smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]CCN1[C@@H]2CC[C@H]1C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C2	ZINC000101060898	205951610	/nfs/dbraw/zinc/95/16/10/205951610.db2.gz	DEBMLCCWWGKBJP-WKCHPHFGSA-N	1	3	371.475	3.598	1	0		FHAFHO
CCC(=O)N(CCCCCCC[NH3+])C1CCN(CCc2ccccc2)CC1	ZINC000066112564	205363908	/nfs/dbraw/zinc/36/39/08/205363908.db2.gz	ZLGWPJAYVXZXFZ-UHFFFAOYSA-N	1	3	373.585	3.841	1	0		FHAFHO
CN1CCN(CCCNc2c3ccccc3[nH+]c3c2CCCCC3)CC1	ZINC000022930430	204791877	/nfs/dbraw/zinc/79/18/77/204791877.db2.gz	CGXWJDRFKHUDIK-UHFFFAOYSA-N	1	3	352.526	3.553	1	0		FHAFHO
Cc1ccccc1OC(=O)C[C@H]1C=NN2c3cc(Cl)ccc3[N+](=O)N[C@@H]12	ZINC000027649779	132917006	/nfs/dbraw/zinc/91/70/06/132917006.db2.gz	HBHPMBBEMKFGNY-KPZWWZAWSA-N	1	3	370.796	4.000	1	0		FHAFHO
CCN(CC)CC[NH+]=C1N[C@@H](c2ccccc2)c2ccccc2CN1C	ZINC000013600245	207470896	/nfs/dbraw/zinc/47/08/96/207470896.db2.gz	YMYQTWZTBUQRPW-NRFANRHFSA-N	1	3	350.510	3.509	1	0		FHAFHO
CCOc1ccc2nc(CN3CCC([C@H]4CC[N@H+](C)C4)CC3)ccc2c1	ZINC000011753461	207320828	/nfs/dbraw/zinc/32/08/28/207320828.db2.gz	FZHIVUHKIQRKPM-IBGZPJMESA-N	1	3	353.510	3.797	1	0		FHAFHO
CCOc1ccc2nc(CN3CCC([C@H]4CC[N@@H+](C)C4)CC3)ccc2c1	ZINC000011753461	207320832	/nfs/dbraw/zinc/32/08/32/207320832.db2.gz	FZHIVUHKIQRKPM-IBGZPJMESA-N	1	3	353.510	3.797	1	0		FHAFHO
CN(C)CCOc1ccc2sc3ccc(OCC[NH+](C)C)cc3c2c1	ZINC000039208145	208209458	/nfs/dbraw/zinc/20/94/58/208209458.db2.gz	QNADTJLLHQAWTQ-UHFFFAOYSA-N	1	3	358.507	3.935	1	0		FHAFHO
COc1cccc2c1CCC[C@@H]2[NH2+]CCN1CCN(C2CCCCC2)CC1	ZINC000066078104	221239941	/nfs/dbraw/zinc/23/99/41/221239941.db2.gz	KNLPSXLZGRXFGB-QFIPXVFZSA-N	1	3	371.569	3.613	1	0		FHAFHO
c1ccc([C@H]2CNCc3cc(OCCC[NH+]4CCCCC4)ncc32)cc1	ZINC000028883516	211500629	/nfs/dbraw/zinc/50/06/29/211500629.db2.gz	UFTSHWLSGKIRED-HXUWFJFHSA-N	1	3	351.494	3.572	1	0		FHAFHO
CCN(CC)CC[NH+]=C1N[C@H](c2ccccc2)c2ccccc2CN1C	ZINC000013600247	211042482	/nfs/dbraw/zinc/04/24/82/211042482.db2.gz	YMYQTWZTBUQRPW-OAQYLSRUSA-N	1	3	350.510	3.509	1	0		FHAFHO
C[NH2+]CC[C@@H]1Cc2ccccc2C2(CCN(Cc3ccccc3)CC2)O1	ZINC000013491905	220070286	/nfs/dbraw/zinc/07/02/86/220070286.db2.gz	GEINFTMBZZZXQR-OAQYLSRUSA-N	1	3	350.506	3.729	1	0		FHAFHO