smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CC[NH+](C)C)[C@H]1[C@@H](CNCc2ccc(F)cc2)O[C@@H](CO)[C@H]1O	ZINC000020464989	220327480	/nfs/dbraw/zinc/32/74/80/220327480.db2.gz	XLKHQUSRVSSAHU-VSZNYVQBSA-N	1	3	355.454	-0.102	10	0		FBAEHO
COCC(=O)N1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC(C)(C)CN2CCCC2)C1	ZINC000065381045	221206365	/nfs/dbraw/zinc/20/63/65/221206365.db2.gz	MTNDIDHWDSYUMH-RDTXWAMCSA-N	1	3	352.479	-0.329	10	0		FBAEHO
CCCN1CCCN(C(=O)[C@@]23C[NH2+]C[C@@H]2CN(C(=O)COC)C3)CC1	ZINC000065404897	205347129	/nfs/dbraw/zinc/34/71/29/205347129.db2.gz	AIEAJPWMCBBWSN-CRAIPNDOSA-N	1	3	352.479	-0.375	10	0		FBAEHO
CN(C)C[C@@H]1CN(CC2(CN3CCO[C@H](C[NH+](C)C)C3)COC2)CCO1	ZINC000119411193	243165511	/nfs/dbraw/zinc/16/55/11/243165511.db2.gz	LCXMEXPGYJFMBY-QZTJIDSGSA-N	1	3	370.538	-0.472	10	0		FBAEHO
O=C(COCC(=O)N1CC[N@H+]2CCC[C@@H]2C1)N1CCN2CCC[C@@H]2C1	ZINC000171756879	243207797	/nfs/dbraw/zinc/20/77/97/243207797.db2.gz	KXPHOGXCJUSGLE-HZPDHXFCSA-N	1	3	350.463	-0.384	10	0		FBAEHO
O=C(COCC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N1CCN2CCC[C@@H]2C1	ZINC000171756879	243207789	/nfs/dbraw/zinc/20/77/89/243207789.db2.gz	KXPHOGXCJUSGLE-HZPDHXFCSA-N	1	3	350.463	-0.384	10	0		FBAEHO
C[C@H](O)C[NH+]1CCC(CN(C)CCNS(=O)(=O)c2cnn(C)c2)CC1	ZINC000173682580	484254692	/nfs/dbraw/zinc/25/46/92/484254692.db2.gz	SEBZOJVRSYXUDB-AWEZNQCLSA-N	1	3	373.523	-0.277	10	0		FBAEHO
C[C@@H](O)C[NH+]1CCC(CN(C)CCNS(=O)(=O)c2cnn(C)c2)CC1	ZINC000173682596	484256696	/nfs/dbraw/zinc/25/66/96/484256696.db2.gz	SEBZOJVRSYXUDB-CQSZACIVSA-N	1	3	373.523	-0.277	10	0		FBAEHO
CN(C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)O2)C1	ZINC000189094496	243253002	/nfs/dbraw/zinc/25/30/02/243253002.db2.gz	IQYZBAQWXBZPME-SYMSYNOKSA-N	1	3	352.479	-0.141	10	0		FBAEHO
CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[C@H]([NH+](C)C)C3)O2)C1	ZINC000189094496	243252995	/nfs/dbraw/zinc/25/29/95/243252995.db2.gz	IQYZBAQWXBZPME-SYMSYNOKSA-N	1	3	352.479	-0.141	10	0		FBAEHO
O=C(COCC(=O)N1CC[N@H+]2CCC[C@H]2C1)N1CCN2CCC[C@H]2C1	ZINC000246018817	243267297	/nfs/dbraw/zinc/26/72/97/243267297.db2.gz	KXPHOGXCJUSGLE-HOTGVXAUSA-N	1	3	350.463	-0.384	10	0		FBAEHO
O=C(COCC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N1CCN2CCC[C@H]2C1	ZINC000246018817	243267291	/nfs/dbraw/zinc/26/72/91/243267291.db2.gz	KXPHOGXCJUSGLE-HOTGVXAUSA-N	1	3	350.463	-0.384	10	0		FBAEHO
CN(C)C[C@H]1CN(CCOCCN2CCO[C@@H](C[NH+](C)C)C2)CCO1	ZINC000247109046	535969725	/nfs/dbraw/zinc/96/97/25/535969725.db2.gz	QZTZZKYPNUWUDR-ROUUACIJSA-N	1	3	358.527	-0.472	10	0		FBAEHO
CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)O2)C1	ZINC000249552838	243276480	/nfs/dbraw/zinc/27/64/80/243276480.db2.gz	IQYZBAQWXBZPME-FPCVCCKLSA-N	1	3	352.479	-0.141	10	0		FBAEHO
CN(C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)O2)C1	ZINC000249552838	243276475	/nfs/dbraw/zinc/27/64/75/243276475.db2.gz	IQYZBAQWXBZPME-FPCVCCKLSA-N	1	3	352.479	-0.141	10	0		FBAEHO
CN(C)[C@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)O2)C1	ZINC000249552839	243274806	/nfs/dbraw/zinc/27/48/06/243274806.db2.gz	IQYZBAQWXBZPME-FZKCQIBNSA-N	1	3	352.479	-0.141	10	0		FBAEHO
CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[C@H]([NH+](C)C)C3)O2)C1	ZINC000249552839	243274796	/nfs/dbraw/zinc/27/47/96/243274796.db2.gz	IQYZBAQWXBZPME-FZKCQIBNSA-N	1	3	352.479	-0.141	10	0		FBAEHO
CN(C)[C@@H]1CCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CC[C@@H]([NH+](C)C)C3)O2)C1	ZINC000249552840	243278479	/nfs/dbraw/zinc/27/84/79/243278479.db2.gz	IQYZBAQWXBZPME-WCVJEAGWSA-N	1	3	352.479	-0.141	10	0		FBAEHO
CN(C)C[C@H]1CN(CC2(CN3CCO[C@@H](C[NH+](C)C)C3)COC2)CCO1	ZINC000252735380	243275102	/nfs/dbraw/zinc/27/51/02/243275102.db2.gz	LCXMEXPGYJFMBY-ROUUACIJSA-N	1	3	370.538	-0.472	10	0		FBAEHO