smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@@H]2CCCO[C@H]12	ZINC001164798545	721575341	/nfs/dbraw/zinc/57/53/41/721575341.db2.gz	BHGHMVMMJURZNX-GGPKGHCWSA-N	1	1	415.925	2.522	20	50		HFGDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@@H]2CCCO[C@H]12	ZINC001164798545	721575345	/nfs/dbraw/zinc/57/53/45/721575345.db2.gz	BHGHMVMMJURZNX-GGPKGHCWSA-N	1	1	415.925	2.522	20	50		HFGDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3NC(=O)CCl)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164838732	720595960	/nfs/dbraw/zinc/59/59/60/720595960.db2.gz	LITPOZCZSXNENT-JENIJYKNSA-N	1	1	416.957	2.833	20	50		HFGDMO
O=C(CCl)Nc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1	ZINC001164903535	721562465	/nfs/dbraw/zinc/56/24/65/721562465.db2.gz	CCKIRWCYPOTSOU-WMZOPIPTSA-N	1	1	404.873	2.740	20	50		HFGDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@@H]2CCCO[C@@H]12	ZINC001164798550	721575073	/nfs/dbraw/zinc/57/50/73/721575073.db2.gz	BHGHMVMMJURZNX-QWFCFKBJSA-N	1	1	415.925	2.522	20	50		HFGDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@@H]2CCCO[C@@H]12	ZINC001164798550	721575075	/nfs/dbraw/zinc/57/50/75/721575075.db2.gz	BHGHMVMMJURZNX-QWFCFKBJSA-N	1	1	415.925	2.522	20	50		HFGDMO
O=C(CCl)Nc1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164903529	721552063	/nfs/dbraw/zinc/55/20/63/721552063.db2.gz	BZZFIMGPPSXCFK-WBVHZDCISA-N	1	1	404.873	2.740	20	50		HFGDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@H]2CCCO[C@@H]12	ZINC001164806211	721587354	/nfs/dbraw/zinc/58/73/54/721587354.db2.gz	MJSWEZBXWVZSEE-WAOWUJCRSA-N	1	1	415.925	2.522	20	50		HFGDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ncccc3NC(=O)CCl)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164838734	720594902	/nfs/dbraw/zinc/59/49/02/720594902.db2.gz	LITPOZCZSXNENT-ZIFCJYIRSA-N	1	1	416.957	2.833	20	50		HFGDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(NC(=O)CCl)cn3)C[C@@H]2C[C@H]1Cn1cccn1	ZINC001164841163	720631858	/nfs/dbraw/zinc/63/18/58/720631858.db2.gz	RKOHJERKVLKXKP-YTQUADARSA-N	1	1	416.957	2.833	20	50		HFGDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@H]2CCCO[C@H]12	ZINC001164798549	721575034	/nfs/dbraw/zinc/57/50/34/721575034.db2.gz	BHGHMVMMJURZNX-NSHGMRRFSA-N	1	1	415.925	2.522	20	50		HFGDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@H]2CCCO[C@H]12	ZINC001164798549	721575036	/nfs/dbraw/zinc/57/50/36/721575036.db2.gz	BHGHMVMMJURZNX-NSHGMRRFSA-N	1	1	415.925	2.522	20	50		HFGDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ccc(NC(=O)CCl)cn3)CC[C@@H]21	ZINC001164841152	720631454	/nfs/dbraw/zinc/63/14/54/720631454.db2.gz	RKOHJERKVLKXKP-NEWSRXKRSA-N	1	1	416.957	2.833	20	50		HFGDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3ncccc3NC(=O)CCl)CC[C@@H]21	ZINC001164838731	720596730	/nfs/dbraw/zinc/59/67/30/720596730.db2.gz	LITPOZCZSXNENT-AOIWGVFYSA-N	1	1	416.957	2.833	20	50		HFGDMO
O=C(CCl)Nc1ccc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1	ZINC001164903532	721562406	/nfs/dbraw/zinc/56/24/06/721562406.db2.gz	CCKIRWCYPOTSOU-AEFFLSMTSA-N	1	1	404.873	2.740	20	50		HFGDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@@H]2CCCO[C@H]12	ZINC001164806209	721587002	/nfs/dbraw/zinc/58/70/02/721587002.db2.gz	MJSWEZBXWVZSEE-OPYAIIAOSA-N	1	1	415.925	2.522	20	50		HFGDMO
O=C(CCl)Nc1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164903527	721552050	/nfs/dbraw/zinc/55/20/50/721552050.db2.gz	BZZFIMGPPSXCFK-NVXWUHKLSA-N	1	1	404.873	2.740	20	50		HFGDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ccc(NC(=O)CCl)cn3)CC[C@@H]21	ZINC001164841160	720631523	/nfs/dbraw/zinc/63/15/23/720631523.db2.gz	RKOHJERKVLKXKP-WDSOQIARSA-N	1	1	416.957	2.833	20	50		HFGDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@@H]2CCCO[C@@H]12	ZINC001164806208	721587280	/nfs/dbraw/zinc/58/72/80/721587280.db2.gz	MJSWEZBXWVZSEE-DBXWQHBBSA-N	1	1	415.925	2.522	20	50		HFGDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@H]2CCCO[C@@H]12	ZINC001164798547	721575166	/nfs/dbraw/zinc/57/51/66/721575166.db2.gz	BHGHMVMMJURZNX-NLWGTHIKSA-N	1	1	415.925	2.522	20	50		HFGDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@H]2CCCO[C@@H]12	ZINC001164798547	721575169	/nfs/dbraw/zinc/57/51/69/721575169.db2.gz	BHGHMVMMJURZNX-NLWGTHIKSA-N	1	1	415.925	2.522	20	50		HFGDMO
CC(C)[N@@H+]1[C@@H]2CCN(c3ccc(NC(=O)CCl)cn3)C[C@H]2C[C@H]1Cn1cccn1	ZINC001164841156	720631812	/nfs/dbraw/zinc/63/18/12/720631812.db2.gz	RKOHJERKVLKXKP-NZSAHSFTSA-N	1	1	416.957	2.833	20	50		HFGDMO
CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3ncccc3NC(=O)CCl)CC[C@@H]21	ZINC001164838733	720594837	/nfs/dbraw/zinc/59/48/37/720594837.db2.gz	LITPOZCZSXNENT-LNLFQRSKSA-N	1	1	416.957	2.833	20	50		HFGDMO
O=C(CCl)Nc1cccnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164903526	721551385	/nfs/dbraw/zinc/55/13/85/721551385.db2.gz	BZZFIMGPPSXCFK-DOTOQJQBSA-N	1	1	404.873	2.740	20	50		HFGDMO
O=C(CCl)Nc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1	ZINC001164903534	721562711	/nfs/dbraw/zinc/56/27/11/721562711.db2.gz	CCKIRWCYPOTSOU-SJLPKXTDSA-N	1	1	404.873	2.740	20	50		HFGDMO
O=C(CCl)Nc1ccc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1	ZINC001164903533	721562874	/nfs/dbraw/zinc/56/28/74/721562874.db2.gz	CCKIRWCYPOTSOU-FUHWJXTLSA-N	1	1	404.873	2.740	20	50		HFGDMO
O=C(CCl)Nc1cccnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164903528	721551807	/nfs/dbraw/zinc/55/18/07/721551807.db2.gz	BZZFIMGPPSXCFK-RDJZCZTQSA-N	1	1	404.873	2.740	20	50		HFGDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2ccc(NC(=O)CCl)cn2)[C@H]2CCCO[C@H]12	ZINC001164806210	721586950	/nfs/dbraw/zinc/58/69/50/721586950.db2.gz	MJSWEZBXWVZSEE-UEXGIBASSA-N	1	1	415.925	2.522	20	50		HFGDMO