smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCn1cc(CCCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@@H]32)c2ccccc21	ZINC000217983786	569882348	/nfs/dbraw/zinc/88/23/48/569882348.db2.gz	CQKBSWPNKYDERR-WLZBTTNTSA-N	1	1	475.677	5.032	40	70		JKIBMO
CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[N@@H+]5C[C@H](C)C[C@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000217205338	569879935	/nfs/dbraw/zinc/87/99/35/569879935.db2.gz	LLKWFOGYGSHBRH-IBJRAOAQSA-N	1	1	497.764	6.680	40	70		JKIBMO
CCC(C)(C)c1ccc(OC[C@@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(C(C)(C)CC)c1	ZINC000217438271	569880026	/nfs/dbraw/zinc/88/00/26/569880026.db2.gz	ITCUJNFERKWPKY-ZDXQCDESSA-N	1	1	480.693	5.083	40	70		JKIBMO
CCC(C)(C)c1ccc(OC[C@H](O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(C(C)(C)CC)c1	ZINC000217438197	569880029	/nfs/dbraw/zinc/88/00/29/569880029.db2.gz	ITCUJNFERKWPKY-WMTXJRDZSA-N	1	1	480.693	5.083	40	70		JKIBMO
COCCn1cc(CCCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21	ZINC000217983713	569882334	/nfs/dbraw/zinc/88/23/34/569882334.db2.gz	CQKBSWPNKYDERR-BDLFVCEQSA-N	1	1	475.677	5.032	40	70		JKIBMO