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@@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)C[N+](C)(C)C	ZINC000253529597	570102764	/nfs/dbraw/zinc/10/27/64/570102764.db2.gz	VNLJJMSFFPPDPE-IQJRQKNWSA-N	1	0	462.607	2.039	10	30		JEEERO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCCC3)[C@@H]2c2cccnc2)cc1	ZINC000102436362	536103262	/nfs/dbraw/zinc/10/32/62/536103262.db2.gz	JWUSEUQQZRFVDJ-RKKARLDVSA-N	1	0	498.605	2.240	10	30		JEEERO
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+]3CCCCC3)[C@H]2c2cccnc2)cc1	ZINC000102436359	536103645	/nfs/dbraw/zinc/10/36/45/536103645.db2.gz	JWUSEUQQZRFVDJ-VFJWVMJUSA-N	1	0	498.605	2.240	10	30		JEEERO
N#Cc1cc(OCCOCC2CC2)ccc1OC[C@H](O)C[NH2+]CCNC(=O)Nc1ccc(O)cc1	ZINC000013490596	562969337	/nfs/dbraw/zinc/96/93/37/562969337.db2.gz	VAWYRUMIUGPAEX-JOCHJYFZSA-N	1	0	484.553	2.220	10	30	in-vitro	JEEERO
C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)C[N+](C)(C)C	ZINC000245328592	570065936	/nfs/dbraw/zinc/06/59/36/570065936.db2.gz	VNLJJMSFFPPDPE-YURJADMSSA-N	1	0	462.607	2.039	10	30		JEEERO
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)C[N+](C)(C)C	ZINC000245328583	570066007	/nfs/dbraw/zinc/06/60/07/570066007.db2.gz	VNLJJMSFFPPDPE-BVPBTGHSSA-N	1	0	462.607	2.039	10	30		JEEERO
C[C@@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC[C@@]2(O)C(=O)COC(=O)C[N+](C)(C)C	ZINC000253529596	570102787	/nfs/dbraw/zinc/10/27/87/570102787.db2.gz	VNLJJMSFFPPDPE-DYQOPPFFSA-N	1	0	462.607	2.039	10	30		JEEERO
N#Cc1cc(OCCOCC2CC2)ccc1OC[C@@H](O)C[NH2+]CCNC(=O)Nc1ccc(O)cc1	ZINC000013490595	562969341	/nfs/dbraw/zinc/96/93/41/562969341.db2.gz	VAWYRUMIUGPAEX-QFIPXVFZSA-N	1	0	484.553	2.220	10	30	in-vitro	JEEERO