smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([O-])c2c(=O)cc3c4c5c(cc(=O)c6c([O-])c(OC)c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000004536354	552464113	/nfs/dbraw/zinc/46/41/13/552464113.db2.gz	JWFLIMIGORGZMQ-WDEREUQCSA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000004536354	552464110	/nfs/dbraw/zinc/46/41/10/552464110.db2.gz	JWFLIMIGORGZMQ-WDEREUQCSA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000004536354	552464108	/nfs/dbraw/zinc/46/41/08/552464108.db2.gz	JWFLIMIGORGZMQ-WDEREUQCSA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c(=O)c2c([O-])cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000004536354	552464104	/nfs/dbraw/zinc/46/41/04/552464104.db2.gz	JWFLIMIGORGZMQ-WDEREUQCSA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1ccc(CCNC(=O)COC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2[O-])cc1	ZINC000006289653	552578840	/nfs/dbraw/zinc/57/88/40/552578840.db2.gz	LYBXCSBLOHWZHW-UHFFFAOYSA-N	-2	3	529.527	2.626	50	5		KFBAHL
COc1cc([N-]S(=O)(=O)c2ccc([N-]c3c([N+](=O)[O-])cc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)nc(OC)n1	ZINC000008425478	553015612	/nfs/dbraw/zinc/01/56/12/553015612.db2.gz	LQPNKDAYUKKMTH-UHFFFAOYSA-N	-2	3	521.424	2.763	50	5		KFBAHL
O=C(COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1[O-])NCc1ccco1	ZINC000025392168	553807562	/nfs/dbraw/zinc/80/75/62/553807562.db2.gz	IPSHKQUYFKKXCZ-UHFFFAOYSA-N	-2	3	509.880	2.821	50	5		KFBAHL
COc1c([O-])c2c(=O)cc3c4c5c(cc(=O)c6c([O-])c(OC)c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000100264640	554266559	/nfs/dbraw/zinc/26/65/59/554266559.db2.gz	JWFLIMIGORGZMQ-MNOVXSKESA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000100264640	554266557	/nfs/dbraw/zinc/26/65/57/554266557.db2.gz	JWFLIMIGORGZMQ-MNOVXSKESA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000100264640	554266556	/nfs/dbraw/zinc/26/65/56/554266556.db2.gz	JWFLIMIGORGZMQ-MNOVXSKESA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c(=O)c2c([O-])cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000100264640	554266554	/nfs/dbraw/zinc/26/65/54/554266554.db2.gz	JWFLIMIGORGZMQ-MNOVXSKESA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c([O-])c2c(=O)cc3c4c5c(cc(=O)c6c([O-])c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000100264642	554266569	/nfs/dbraw/zinc/26/65/69/554266569.db2.gz	JWFLIMIGORGZMQ-GHMZBOCLSA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000100264642	554266567	/nfs/dbraw/zinc/26/65/67/554266567.db2.gz	JWFLIMIGORGZMQ-GHMZBOCLSA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c(=O)c2c([O-])cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@@H](C)O)c(c(c1C[C@@H](C)O)c24)c65)OCO3	ZINC000100264642	554266565	/nfs/dbraw/zinc/26/65/65/554266565.db2.gz	JWFLIMIGORGZMQ-GHMZBOCLSA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c([O-])c2c(=O)cc3c4c5c(cc(=O)c6c([O-])c(OC)c(C[C@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000100264644	554266646	/nfs/dbraw/zinc/26/66/46/554266646.db2.gz	JWFLIMIGORGZMQ-QWRGUYRKSA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c([O-])c2c(=O)cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000100264644	554266643	/nfs/dbraw/zinc/26/66/43/554266643.db2.gz	JWFLIMIGORGZMQ-QWRGUYRKSA-N	-2	3	534.517	2.899	50	5		KFBAHL
COc1c(=O)c2c([O-])cc3c4c5c(cc([O-])c6c(=O)c(OC)c(C[C@H](C)O)c(c(c1C[C@H](C)O)c24)c65)OCO3	ZINC000100264644	554266641	/nfs/dbraw/zinc/26/66/41/554266641.db2.gz	JWFLIMIGORGZMQ-QWRGUYRKSA-N	-2	3	534.517	2.899	50	5		KFBAHL