smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[C@H]2[C@H](c3ccc(Cl)cc3Cl)[NH2+][C@@H](Cc3ccccc3)[C@H]2C(=O)N1c1ccccc1	ZINC000217730576	569881266	/nfs/dbraw/zinc/88/12/66/569881266.db2.gz	JZNSHSOKIWJMSS-AFXVXQJMSA-N	1	0	451.353	5.055	50	70		JKIARO
O=C(Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1)c1ccc(-c2ccccc2)cc1	ZINC000218031880	569882413	/nfs/dbraw/zinc/88/24/13/569882413.db2.gz	DUSAUIXVKYWMGJ-AZGAKELHSA-N	1	0	457.643	6.358	50	70	biogenic	JKIARO
O=C(Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1)c1ccc(Cl)nc1Cl	ZINC000218053054	569882587	/nfs/dbraw/zinc/88/25/87/569882587.db2.gz	NNSHSWMBPQIVTG-WMLDXEAASA-N	1	0	451.423	5.392	50	70	biogenic	JKIARO
O=C(Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1)c1ccccc1-c1ccccc1	ZINC000218093050	569882709	/nfs/dbraw/zinc/88/27/09/569882709.db2.gz	IIIBMQKFNYJJTL-BKMJKUGQSA-N	1	0	457.643	6.358	50	70	biogenic	JKIARO
C[C@@H]1C[C@H](C)C[N@@H+](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	ZINC000217340788	569879926	/nfs/dbraw/zinc/87/99/26/569879926.db2.gz	UZYZRISMGTUDCJ-XRRUKHKJSA-N	1	0	457.699	5.878	50	70	biogenic	JKIARO
Cc1cc(OCC(=O)Nc2ccc(SC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2)ccc1Cl	ZINC000217999473	569882400	/nfs/dbraw/zinc/88/24/00/569882400.db2.gz	TVCYFGCFIIJIEO-PGRDOPGGSA-N	1	0	460.043	5.418	50	70	biogenic	JKIARO
O=C(Nc1ccc(SC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nc1)c1cccc(Br)c1	ZINC000218108422	569882688	/nfs/dbraw/zinc/88/26/88/569882688.db2.gz	NTURTFMAEAAXJK-FXAWDEMLSA-N	1	0	460.441	5.453	50	70	biogenic	JKIARO
COc1ccc(/C=C/C(=O)Nc2ccc(SC[C@@H]3CCC[N@@H+]4CCCC[C@H]34)nc2)c(OC)c1	ZINC000218122121	569882780	/nfs/dbraw/zinc/88/27/80/569882780.db2.gz	NVDHITYOGGUYRQ-UZYWOGEQSA-N	1	0	467.635	5.107	50	70	biogenic	JKIARO