smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCS(=O)(=O)CC[NH+]1CCCC1)NCNC(=O)CCS(=O)(=O)CC[NH+]1CCCC1	ZINC000004427681	194389864	/nfs/dbraw/zinc/38/98/64/194389864.db2.gz	MTBKGUWDVDBZLP-UHFFFAOYSA-N	2	2	480.653	-1.022	50	0		JAAALP
CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)NCC(=O)OC(C)(C)C	ZINC000008739970	554641752	/nfs/dbraw/zinc/64/17/52/554641752.db2.gz	LFJOXOGCQDNJIX-OWCLPIDISA-N	2	2	495.581	-1.372	50	0	biogenic	JAAALP
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)NCC(=O)OC(C)(C)C	ZINC000008739973	554641795	/nfs/dbraw/zinc/64/17/95/554641795.db2.gz	LFJOXOGCQDNJIX-PMPSAXMXSA-N	2	2	495.581	-1.372	50	0	biogenic	JAAALP
CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)NCC(=O)OC(C)(C)C	ZINC000012652272	195076779	/nfs/dbraw/zinc/07/67/79/195076779.db2.gz	LFJOXOGCQDNJIX-HRCADAONSA-N	2	2	495.581	-1.372	50	0	biogenic	JAAALP
CC(C)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]([NH3+])Cc1c[nH+]c[nH]1)C(=O)NCC(=O)OC(C)(C)C	ZINC000012652280	195076850	/nfs/dbraw/zinc/07/68/50/195076850.db2.gz	LFJOXOGCQDNJIX-JYJNAYRXSA-N	2	2	495.581	-1.372	50	0	biogenic	JAAALP
O=CN1CC[NH+](C[C@H](O)COc2ccc(OC[C@@H](O)C[NH+]3CCN(C=O)CC3)cc2)CC1	ZINC000013602398	555530363	/nfs/dbraw/zinc/53/03/63/555530363.db2.gz	TXWNNRHATBVDSB-PMACEKPBSA-N	2	2	450.536	-1.286	50	0		JAAALP
O=CN1CC[NH+](C[C@@H](O)COc2ccc(OC[C@@H](O)C[NH+]3CCN(C=O)CC3)cc2)CC1	ZINC000013602401	555530368	/nfs/dbraw/zinc/53/03/68/555530368.db2.gz	TXWNNRHATBVDSB-BGYRXZFFSA-N	2	2	450.536	-1.286	50	0		JAAALP
O=CN1CC[NH+](C[C@@H](O)COc2ccc(OC[C@H](O)C[NH+]3CCN(C=O)CC3)cc2)CC1	ZINC000019770533	556368085	/nfs/dbraw/zinc/36/80/85/556368085.db2.gz	TXWNNRHATBVDSB-WOJBJXKFSA-N	2	2	450.536	-1.286	50	0		JAAALP
S=C1NCN(CC[NH+]2CCOCC2)CN1N1CN(CC[NH+]2CCOCC2)CNC1=S	ZINC000019944212	555562265	/nfs/dbraw/zinc/56/22/65/555562265.db2.gz	GJLDIZUWCSBYCC-UHFFFAOYSA-N	2	2	458.658	-1.620	50	0		JAAALP
C[NH+]1CCN(NC(=O)c2nnn3c2Sc2c(C(=O)NN4CC[NH+](C)CC4)nnn2CC3)CC1	ZINC000036489964	569776438	/nfs/dbraw/zinc/77/64/38/569776438.db2.gz	QLUQQVNLIZMNHN-UHFFFAOYSA-N	2	2	476.571	-2.181	50	0		JAAALP