smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=S1(=O)CC[C@@H](NCCN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000040177473	530197980	/nfs/dbraw/zinc/19/79/80/530197980.db2.gz	FWUFADWZRXOKRB-HUUCEWRRSA-N	1	3	379.548	-0.996	40	0		GBABHO
O=S1(=O)CC[C@@H](NCCN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000040177474	530331153	/nfs/dbraw/zinc/33/11/53/530331153.db2.gz	FWUFADWZRXOKRB-CABCVRRESA-N	1	3	379.548	-0.996	40	0		GBABHO
O=S1(=O)CC[C@@H]([NH2+]C2CCN(CCN[C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000040177475	530197900	/nfs/dbraw/zinc/19/79/00/530197900.db2.gz	FWUFADWZRXOKRB-LSDHHAIUSA-N	1	3	379.548	-0.996	40	0		GBABHO
O=S1(=O)CC[C@H](NCCN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000040177476	530197799	/nfs/dbraw/zinc/19/77/99/530197799.db2.gz	FWUFADWZRXOKRB-GJZGRUSLSA-N	1	3	379.548	-0.996	40	0		GBABHO
C[NH+]1CCC(NC[C@H]2O[C@@H]3C[C@@H](CC(=O)N4CCOCC4)O[C@@H]3[C@@H]2O)CC1	ZINC000225512256	560042364	/nfs/dbraw/zinc/04/23/64/560042364.db2.gz	BJJWQERGJDGGML-SGFSRKTBSA-N	1	3	383.489	-0.795	40	0	biogenic,in-vitro	GBABHO
O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCNCC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1	ZINC000225519047	206055759	/nfs/dbraw/zinc/05/57/59/206055759.db2.gz	VVRITXYMNASMIK-SZVRAQGESA-N	1	3	389.443	-0.129	40	0	biogenic,in-vitro	GBABHO
Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CCNCC3)[C@@H](O)[C@H]2O1	ZINC000225520553	206054791	/nfs/dbraw/zinc/05/47/91/206054791.db2.gz	HSCLOKRTYZRMLU-HIBCTMLNSA-N	1	3	393.488	-0.946	40	0	biogenic,in-vitro	GBABHO
C[C@@]1(O)CCN(C(=O)[C@H](N)CCCC[NH3+])C[C@H]1n1cnc2c1ncnc2N	ZINC000257211655	209055373	/nfs/dbraw/zinc/05/53/73/209055373.db2.gz	BZTCSYKVEZGNHN-PSTGCABASA-N	1	3	376.465	-0.611	40	0		GBABHO
C[C@@]1(O)CCN(C(=O)[C@@H](N)CCCC[NH3+])C[C@H]1n1cnc2c1ncnc2N	ZINC000257211656	212002798	/nfs/dbraw/zinc/00/27/98/212002798.db2.gz	BZTCSYKVEZGNHN-XWCIJXRUSA-N	1	3	376.465	-0.611	40	0		GBABHO