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](NC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-])P(=O)([O-])[O-]	ZINC000027322921	202153623	/nfs/dbraw/zinc/15/36/23/202153623.db2.gz	MRLBPFGHTJWKGZ-WDSKDSINSA-N	-1	3	326.250	-2.170	1	30		EAEFHM
CC[C@@H](C)[C@H](NC(=O)[C@@H]([S-])[C@H]([NH3+])CCS(=O)(=O)[O-])C(N)=O	ZINC000027561518	212565378	/nfs/dbraw/zinc/56/53/78/212565378.db2.gz	TVORPGXVIXEMJD-HXFLIBJXSA-N	-1	3	341.455	-1.094	1	30		EAEFHM
N[C@H](C(=O)N[O-])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000035274041	202294574	/nfs/dbraw/zinc/29/45/74/202294574.db2.gz	BMYDQORBNYZFKN-CYBMUJFWSA-N	-1	3	336.348	-1.108	1	30		EAEFHM
N[C@@H](C(=O)N[O-])C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000035274045	213017301	/nfs/dbraw/zinc/01/73/01/213017301.db2.gz	BMYDQORBNYZFKN-ZDUSSCGKSA-N	-1	3	336.348	-1.108	1	30		EAEFHM
N[C@H](C(=O)N[O-])C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1	ZINC000035274059	202293729	/nfs/dbraw/zinc/29/37/29/202293729.db2.gz	JXKBMXORIWWTPP-GFCCVEGCSA-N	-1	3	347.375	-1.226	1	30		EAEFHM
N[C@@H](C(=O)N[O-])C(=O)N1CCC2(CC1)C(=O)NCN2c1ccccc1	ZINC000035274064	213016462	/nfs/dbraw/zinc/01/64/62/213016462.db2.gz	JXKBMXORIWWTPP-LBPRGKRZSA-N	-1	3	347.375	-1.226	1	30		EAEFHM
CS(=O)(=O)OC[C@H]1O[C@H](n2cc(F)c(=O)[n-]c2=O)[C@H](O)[C@@H]1O	ZINC000049052615	202615518	/nfs/dbraw/zinc/61/55/18/202615518.db2.gz	WGRWZBLZSZEOIZ-PULFBKJNSA-N	-1	3	340.285	-2.729	1	30		EAEFHM
N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CC(=O)N(CC(=O)N[O-])C1=O	ZINC000073224314	216367321	/nfs/dbraw/zinc/36/73/21/216367321.db2.gz	GQDDAOPNVIIXCD-QWRGUYRKSA-N	-1	3	334.332	-1.695	1	30		EAEFHM