smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC1C(=O)C(=O)C(=O)N(C)C1=O	14488350	168144824	/nfs/dbraw/zinc/14/48/24/168144824.db2.gz	ZWAKJHGDSDLYGM-UHFFFAOYSA-N	0	1	185.135	-1.030	1	30		AAEFMN
C[C@@H](O)[C@@H](O)[C@H]([C@@H](O)C=O)N(C)C	220623767	168397800	/nfs/dbraw/zinc/39/78/00/168397800.db2.gz	IJUPCLYLISRDRA-VGRMVHKJSA-N	0	1	191.227	-1.782	1	30		AAEFMN
[NH3+][C@@H](CC[P@](=O)([O-])O)C(=O)NO	13644110	169244853	/nfs/dbraw/zinc/24/48/53/169244853.db2.gz	FHMAKACGDXCLNE-VKHMYHEASA-N	0	1	198.115	-1.613	1	30		AAEFMN
[NH3+][C@H](CC[P@](=O)([O-])O)C(=O)NO	13644113	169265284	/nfs/dbraw/zinc/26/52/84/169265284.db2.gz	FHMAKACGDXCLNE-GSVOUGTGSA-N	0	1	198.115	-1.613	1	30		AAEFMN
O=C1[C@@H]2C[C@@H](C[NH2+]2)N1[O-]	27868474	169392548	/nfs/dbraw/zinc/39/25/48/169392548.db2.gz	OOZYGTATWYQPIZ-IMJSIDKUSA-N	0	1	128.131	-1.052	1	30		AAEFMN
CC([O-])=C([N+]#N)C(=O)NCC#N	5940912	171019056	/nfs/dbraw/zinc/01/90/56/171019056.db2.gz	DTGFTVZXEQQXNW-UHFFFAOYSA-N	0	1	166.140	-1.114	1	30		AAEFMN
C[S@@](=O)CC[C@H](N)C(=O)NO	27107149	171046173	/nfs/dbraw/zinc/04/61/73/171046173.db2.gz	QULLSDJATCUSMU-AUIPBDMJSA-N	0	1	180.229	-1.412	1	30		AAEFMN