smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1	ZINC000003806747	581097219	/nfs/dbraw/zinc/09/72/19/581097219.db2.gz	WXVYOXMMXUJYLQ-KSZLIROESA-N	1	0	414.510	-0.361	1	30		HBEFRO
NC(=[NH2+])NCCC[C@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCCc2ccccc21	ZINC000012355084	581098152	/nfs/dbraw/zinc/09/81/52/581098152.db2.gz	GBNKGLWEDJOYBL-BPQIPLTHSA-N	1	0	414.510	-0.189	1	30		HBEFRO
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1NCCc2ccccc21	ZINC000012355087	581098101	/nfs/dbraw/zinc/09/81/01/581098101.db2.gz	GBNKGLWEDJOYBL-RYQLBKOJSA-N	1	0	414.510	-0.189	1	30		HBEFRO
Cc1cc(C)[n+](CC(=O)NCCC(=O)Nc2nnc(S(N)(=O)=O)s2)c(C)c1	ZINC000013804392	581091448	/nfs/dbraw/zinc/09/14/48/581091448.db2.gz	KUBGHMJBEUKTTN-UHFFFAOYSA-O	1	0	413.505	-0.457	1	30		HBEFRO
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1	ZINC000013897427	581097203	/nfs/dbraw/zinc/09/72/03/581097203.db2.gz	WXVYOXMMXUJYLQ-BZSNNMDCSA-N	1	0	414.510	-0.361	1	30		HBEFRO
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1NCCc2ccccc21	ZINC000026835489	581098056	/nfs/dbraw/zinc/09/80/56/581098056.db2.gz	GBNKGLWEDJOYBL-SZMVWBNQSA-N	1	0	414.510	-0.189	1	30		HBEFRO
NC(=[NH2+])NCCC[C@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1	ZINC000026937120	581097253	/nfs/dbraw/zinc/09/72/53/581097253.db2.gz	WXVYOXMMXUJYLQ-KURKYZTESA-N	1	0	414.510	-0.361	1	30		HBEFRO
CC(C)(CC(=O)N1CCN(S(C)(=O)=O)CC1)[NH2+]CC(=O)N1C[C@@H](F)C[C@H]1C#N	ZINC000049109667	581093357	/nfs/dbraw/zinc/09/33/57/581093357.db2.gz	NSHBZQRESYODEB-KBPBESRZSA-N	1	0	417.507	-0.689	1	30		HBEFRO
CC[N@@H+]1C[C@]23O[C@H]2C[C@H](O)[C@]24[C@H]1[C@H](C[C@H]32)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC	ZINC000095911464	291164965	/nfs/dbraw/zinc/16/49/65/291164965.db2.gz	YDBHGJYAIYHBDR-XYDYDGTISA-N	1	0	407.507	-0.239	1	30	biogenic,in-vitro	HBEFRO
C=C[C@]1(C(C)=O)C(=O)O[C@@H]2CC[N+]3(C)CC=C(COC(=O)[C@@](C)(O)[C@@H](C)[C@H]1O)[C@]23O	ZINC000238763175	717162701	/nfs/dbraw/zinc/16/27/01/717162701.db2.gz	KZXXGFIFKMZCFZ-PYMTWCQPSA-N	1	0	424.470	-0.557	1	30		HBEFRO