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	569882347	/nfs/dbraw/zinc/88/23/47/569882347.db2.gz	CQKBSWPNKYDERR-WLZBTTNTSA-N	1	0	475.677	5.032	40	70		JKIBRO
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	569879934	/nfs/dbraw/zinc/87/99/34/569879934.db2.gz	LLKWFOGYGSHBRH-IBJRAOAQSA-N	1	0	497.764	6.680	40	70		JKIBRO
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	569880025	/nfs/dbraw/zinc/88/00/25/569880025.db2.gz	ITCUJNFERKWPKY-ZDXQCDESSA-N	1	0	480.693	5.083	40	70		JKIBRO
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	569880028	/nfs/dbraw/zinc/88/00/28/569880028.db2.gz	ITCUJNFERKWPKY-WMTXJRDZSA-N	1	0	480.693	5.083	40	70		JKIBRO
CC(=O)[C@H]1[C@@H](C)C[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5C[C@H](C)C[C@@H](C)C5)CC[C@]4(C)[C@H]3CC[C@@]21C	ZINC000217205346	569879914	/nfs/dbraw/zinc/87/99/14/569879914.db2.gz	LLKWFOGYGSHBRH-PEUMGCCGSA-N	1	0	497.764	6.680	40	70		JKIBRO
COCCn1cc(CCCC(=O)N2CCCC3=C[C@H]4C[C@H](C[N@@H+]5CCCC[C@@H]45)[C@H]32)c2ccccc21	ZINC000217983713	569882333	/nfs/dbraw/zinc/88/23/33/569882333.db2.gz	CQKBSWPNKYDERR-BDLFVCEQSA-N	1	0	475.677	5.032	40	70		JKIBRO
C[C@@H]1C[C@@H](C)C[NH+](CCC(=O)O[C@H]2CC[C@H]3[C@@H]4CC[C@H]5CC(=O)CC[C@]5(C)[C@H]4CC[C@]23C)C1	ZINC000217340864	569879948	/nfs/dbraw/zinc/87/99/48/569879948.db2.gz	UZYZRISMGTUDCJ-VWMFHEBOSA-N	1	0	457.699	5.878	40	70		JKIBRO