smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](OCC(F)(F)F)C(=O)N[O-]	388474207	538433001	/nfs/dbraw/zinc/43/30/01/538433001.db2.gz	PPWQNFTVBKIBLI-GSVOUGTGSA-N	-1	3	187.117	0.459	20	5		ACBDHM
CC(C)(COCC(F)F)C(=O)N[O-]	388619728	538435402	/nfs/dbraw/zinc/43/54/02/538435402.db2.gz	GSBVSGVJXHHPLV-UHFFFAOYSA-N	-1	3	197.181	0.800	20	5		ACBDHM
CN(CCCC(=O)[O-])CC[N+](=O)[O-]	1574007358	961901043	/nfs/dbraw/zinc/90/10/43/961901043.db2.gz	FLCCHEKTKRFBPC-UHFFFAOYSA-N	-1	3	190.199	0.060	20	5		ACBDHM
CCN(CCC(=O)[O-])CC[N+](=O)[O-]	1605443179	1170794333	/nfs/dbraw/zinc/79/43/33/1170794333.db2.gz	TXHJGSAXNUHVOB-UHFFFAOYSA-N	-1	3	190.199	0.060	20	5		ACBDHM
CC(C)CC(=O)NCCC(=O)N[O-]	11638598	571697744	/nfs/dbraw/zinc/69/77/44/571697744.db2.gz	VNCJNYXFLSRBOT-UHFFFAOYSA-N	-1	3	188.227	0.044	20	5		ACBDHM
O=C(CSC[C@H]1CCCO1)N[O-]	393356896	582463733	/nfs/dbraw/zinc/46/37/33/582463733.db2.gz	XPTRBKFJZIAAMK-ZCFIWIBFSA-N	-1	3	191.252	0.404	20	5		ACBDHM
CC(C)O[N-]C(=O)[C@@H]1CC1[N+](=O)[O-]	839784562	582796310	/nfs/dbraw/zinc/79/63/10/582796310.db2.gz	XICYSNJMBXOXPD-PHDIDXHHSA-N	-1	3	188.183	0.108	20	5		ACBDHM
CCCO[N-]C(=O)[C@@H]1CC1[N+](=O)[O-]	844089992	583139033	/nfs/dbraw/zinc/13/90/33/583139033.db2.gz	CUCRYRVEUXNOCY-PHDIDXHHSA-N	-1	3	188.183	0.109	20	5		ACBDHM
CON(C)c1cc[n-]c(=O)c1[N+](=O)[O-]	853088569	583216090	/nfs/dbraw/zinc/21/60/90/583216090.db2.gz	CRNUVFQEGNQVGZ-UHFFFAOYSA-N	-1	3	199.166	0.693	20	5		ACBDHM
NCc1cc([O-])cc([N+](=O)[O-])c1	83339896	169221143	/nfs/dbraw/zinc/22/11/43/169221143.db2.gz	HTJMQCMOFMVEOZ-UHFFFAOYSA-N	-1	3	168.152	0.759	20	5		ACBDHM
O=C1[N-]c2cccc([N+](=O)[O-])c2C1=O	36404682	169390579	/nfs/dbraw/zinc/39/05/79/169390579.db2.gz	TYITZWXVYYSISG-UHFFFAOYSA-N	-1	3	192.130	0.730	20	5	in-vitro	ACBDHM
COc1c[n-]c(=O)c([N+](=O)[O-])c1	144994840	344030940	/nfs/dbraw/zinc/03/09/40/344030940.db2.gz	HXSZUDACJQPBEZ-UHFFFAOYSA-N	-1	3	170.124	0.292	20	5		ACBDHM
O=c1[n-]ccc(NCCO)c1[N+](=O)[O-]	596051110	346872440	/nfs/dbraw/zinc/87/24/40/346872440.db2.gz	LMRCCRCHLAPBJZ-UHFFFAOYSA-N	-1	3	199.166	0.100	20	5		ACBDHM
O=c1[n-]ccc(N2CCC2)c1[N+](=O)[O-]	596067874	346872665	/nfs/dbraw/zinc/87/26/65/346872665.db2.gz	CAUYHGOZVLISBK-UHFFFAOYSA-N	-1	3	195.178	0.906	20	5		ACBDHM
O=[N+]([O-])c1ccc(NCCO)c([O-])c1	39244120	351499048	/nfs/dbraw/zinc/49/90/48/351499048.db2.gz	YUNHBAIHRNIODP-UHFFFAOYSA-N	-1	3	198.178	0.705	20	5		ACBDHM
O=[N+]([O-])c1cccc([O-])c1CO	95933501	351677669	/nfs/dbraw/zinc/67/76/69/351677669.db2.gz	IEBOZISUANRTLC-UHFFFAOYSA-N	-1	3	169.136	0.793	20	5		ACBDHM
C[C@H](OCC(F)(F)F)C(=O)N[O-]	388474210	538432841	/nfs/dbraw/zinc/43/28/41/538432841.db2.gz	PPWQNFTVBKIBLI-VKHMYHEASA-N	-1	3	187.117	0.459	20	5		ACBDHM