smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)cc(I)c1OCC(N)=O	ZINC000002748563	554325267	/nfs/dbraw/zinc/32/52/67/554325267.db2.gz	LXUXBBFXHILSCW-UHFFFAOYSA-N	-1	1	475.264	0.468	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=S)NC4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009348235	555114389	/nfs/dbraw/zinc/11/43/89/555114389.db2.gz	NUFTWDSKAQPPFO-OAHLLOKOSA-N	-1	1	467.507	0.574	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)[N-]C(=S)NC4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009348235	555114387	/nfs/dbraw/zinc/11/43/87/555114387.db2.gz	NUFTWDSKAQPPFO-OAHLLOKOSA-N	-1	1	467.507	0.574	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4/C(=O)[N-]C(=S)NC4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009348235	555114384	/nfs/dbraw/zinc/11/43/84/555114384.db2.gz	NUFTWDSKAQPPFO-OAHLLOKOSA-N	-1	1	467.507	0.574	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(C=C4C(=O)[N-]C(=S)NC4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009348237	555114369	/nfs/dbraw/zinc/11/43/69/555114369.db2.gz	NUFTWDSKAQPPFO-HNNXBMFYSA-N	-1	1	467.507	0.574	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4\C(=O)[N-]C(=S)NC4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009348237	555114367	/nfs/dbraw/zinc/11/43/67/555114367.db2.gz	NUFTWDSKAQPPFO-HNNXBMFYSA-N	-1	1	467.507	0.574	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(/C=C4/C(=O)[N-]C(=S)NC4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009348237	555114366	/nfs/dbraw/zinc/11/43/66/555114366.db2.gz	NUFTWDSKAQPPFO-HNNXBMFYSA-N	-1	1	467.507	0.574	50	10		JCCAMM
CN1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009348840	555115263	/nfs/dbraw/zinc/11/52/63/555115263.db2.gz	FYEIXADCHWCRDC-SCOADAFUSA-N	-1	1	481.534	0.916	50	10		JCCAMM
CN1C(=O)C(=Cc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009348841	555115254	/nfs/dbraw/zinc/11/52/54/555115254.db2.gz	FYEIXADCHWCRDC-DNXIFWLFSA-N	-1	1	481.534	0.916	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=S)NC4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009429720	555197075	/nfs/dbraw/zinc/19/70/75/555197075.db2.gz	OEWZNRXIESSWCG-OAHLLOKOSA-N	-1	1	482.522	0.075	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3cc(NC=C4C(=O)[N-]C(=S)NC4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009429721	555197064	/nfs/dbraw/zinc/19/70/64/555197064.db2.gz	OEWZNRXIESSWCG-HNNXBMFYSA-N	-1	1	482.522	0.075	50	10		JCCAMM
CN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009433872	555204433	/nfs/dbraw/zinc/20/44/33/555204433.db2.gz	RLMRGGMFPSUTHZ-WSYSLRRZSA-N	-1	1	496.549	0.417	50	10		JCCAMM
CN1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C(=O)[N-]C1=S	ZINC000009433873	555204390	/nfs/dbraw/zinc/20/43/90/555204390.db2.gz	RLMRGGMFPSUTHZ-UKYUDJEDSA-N	-1	1	496.549	0.417	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)c(/C=C4/C(=O)[N-]C(=O)NC4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009488731	555263851	/nfs/dbraw/zinc/26/38/51/555263851.db2.gz	BVFVHMRHAKCFMW-CQSZACIVSA-N	-1	1	485.884	0.651	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)c(/C=C4\C(=O)[N-]C(=O)NC4=O)ccc3N3CCC[C@@H]32)C1=O	ZINC000009488731	555263848	/nfs/dbraw/zinc/26/38/48/555263848.db2.gz	BVFVHMRHAKCFMW-CQSZACIVSA-N	-1	1	485.884	0.651	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)c(/C=C4/C(=O)[N-]C(=O)NC4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009488734	555263879	/nfs/dbraw/zinc/26/38/79/555263879.db2.gz	BVFVHMRHAKCFMW-AWEZNQCLSA-N	-1	1	485.884	0.651	50	10		JCCAMM
CN1C(=O)N(C)C(=O)C2(Cc3c(Cl)c(/C=C4\C(=O)[N-]C(=O)NC4=O)ccc3N3CCC[C@H]32)C1=O	ZINC000009488734	555263878	/nfs/dbraw/zinc/26/38/78/555263878.db2.gz	BVFVHMRHAKCFMW-AWEZNQCLSA-N	-1	1	485.884	0.651	50	10		JCCAMM
Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=S)N(Cc3ccc(F)cc3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000017195339	556238069	/nfs/dbraw/zinc/23/80/69/556238069.db2.gz	XCFZMSBIZXFOEE-WQLSENKSSA-N	-1	1	486.489	0.194	50	10		JCCAMM
CN1CCN(NC=C2C(=O)[N-]C(=O)N(c3ccc(I)cc3)C2=O)CC1	ZINC000017196629	556238494	/nfs/dbraw/zinc/23/84/94/556238494.db2.gz	QGUHEKCABAOHER-JLHYYAGUSA-N	-1	1	455.256	0.714	50	10		JCCAMM
COc1ccc(CCN2C(=O)C(=CN[C@H]3C=CS(=O)(=O)C3)C(=O)[N-]C2=S)cc1OC	ZINC000020591819	555838249	/nfs/dbraw/zinc/83/82/49/555838249.db2.gz	PYBHEAHWXSSUBJ-LFGHMXSPSA-N	-1	1	451.526	0.274	50	10		JCCAMM
COc1ccc(CCN2C(=O)C(=CN[C@@H]3C=CS(=O)(=O)C3)C(=O)[N-]C2=S)cc1OC	ZINC000020591821	555838422	/nfs/dbraw/zinc/83/84/22/555838422.db2.gz	PYBHEAHWXSSUBJ-PCRWRXJSSA-N	-1	1	451.526	0.274	50	10		JCCAMM
COc1ccc(CCN2C(=O)C(=CN[C@H]3C=CS(=O)(=O)C3)C(=O)[N-]C2=S)cc1OC	ZINC000102717084	569817053	/nfs/dbraw/zinc/81/70/53/569817053.db2.gz	PYBHEAHWXSSUBJ-ODUNQGDFSA-N	-1	1	451.526	0.685	50	10		JCCAMM
COc1ccc(CCN2C(=O)C(=CN[C@@H]3C=CS(=O)(=O)C3)C(=O)[N-]C2=S)cc1OC	ZINC000102717088	569817051	/nfs/dbraw/zinc/81/70/51/569817051.db2.gz	PYBHEAHWXSSUBJ-JFBXQDQPSA-N	-1	1	451.526	0.685	50	10		JCCAMM