smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(=O)oc2cc(NC(=O)[C@H](CCCNC(N)=[NH2+])NC(=O)C[NH3+])ccc12	ZINC000002530808	570290064	/nfs/dbraw/zinc/29/00/64/570290064.db2.gz	JNTASUHAFOHMQK-ZDUSSCGKSA-N	2	0	388.428	-0.253	40	0		GBABRP
NC(=[NH2+])NCCCCCCNC(=O)COC(=O)NCCCC[NH2+]CCC[NH3+]	ZINC000003806041	570351030	/nfs/dbraw/zinc/35/10/30/570351030.db2.gz	LVBMFPUTQOHXQE-UHFFFAOYSA-N	3	0	387.529	-0.409	40	0	investigational	GBABRP
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H]1CNCCN1C(=O)C1CC[NH2+]CC1	ZINC000004277905	560198159	/nfs/dbraw/zinc/19/81/59/560198159.db2.gz	PPQWKYPCOGFBKK-DLBZAZTESA-N	2	0	393.532	-0.273	40	0	biogenic,in-vitro	GBABRP
NC(=O)C1CCN([C@H]2[C@@H]3OC[C@@H](O3)[C@@H]([NH2+]Cc3ccc(F)cc3)[C@@H]2O)CC1	ZINC000012529672	291097667	/nfs/dbraw/zinc/09/76/67/291097667.db2.gz	RVOGUJWVVJVYDS-ZQOJQMTGSA-N	2	0	379.432	-0.034	40	0	biogenic,in-vitro	GBABRP
O=S1(=O)CC[C@@H]([NH2+]CCN2CCC([NH2+][C@@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000040177473	530197978	/nfs/dbraw/zinc/19/79/78/530197978.db2.gz	FWUFADWZRXOKRB-HUUCEWRRSA-N	2	0	379.548	-0.996	40	0		GBABRP
O=S1(=O)CC[C@@H]([NH2+]CCN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000040177474	530331150	/nfs/dbraw/zinc/33/11/50/530331150.db2.gz	FWUFADWZRXOKRB-CABCVRRESA-N	2	0	379.548	-0.996	40	0		GBABRP
O=S1(=O)CC[C@@H]([NH2+]C2CCN(CC[NH2+][C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000040177475	530197897	/nfs/dbraw/zinc/19/78/97/530197897.db2.gz	FWUFADWZRXOKRB-LSDHHAIUSA-N	2	0	379.548	-0.996	40	0		GBABRP
O=S1(=O)CC[C@H]([NH2+]CCN2CCC([NH2+][C@H]3CCS(=O)(=O)C3)CC2)C1	ZINC000040177476	530197796	/nfs/dbraw/zinc/19/77/96/530197796.db2.gz	FWUFADWZRXOKRB-GJZGRUSLSA-N	2	0	379.548	-0.996	40	0		GBABRP
O=C(C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH2+]CC3)[C@@H](O)[C@H]2O1)N1CCC(F)(F)C1	ZINC000225519047	206055751	/nfs/dbraw/zinc/05/57/51/206055751.db2.gz	VVRITXYMNASMIK-SZVRAQGESA-N	2	0	389.443	-0.129	40	0	biogenic,in-vitro	GBABRP
Cn1ccnc1CNC(=O)C[C@@H]1C[C@H]2O[C@H](C[NH2+]C3CC[NH2+]CC3)[C@@H](O)[C@H]2O1	ZINC000225520553	206054772	/nfs/dbraw/zinc/05/47/72/206054772.db2.gz	HSCLOKRTYZRMLU-HIBCTMLNSA-N	2	0	393.488	-0.946	40	0	biogenic,in-vitro	GBABRP
C[C@@]1(O)CCN(C(=O)[C@H]([NH3+])CCCC[NH3+])C[C@H]1n1cnc2c1ncnc2N	ZINC000257211655	209055370	/nfs/dbraw/zinc/05/53/70/209055370.db2.gz	BZTCSYKVEZGNHN-PSTGCABASA-N	2	0	376.465	-0.611	40	0		GBABRP
C[C@@]1(O)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])C[C@H]1n1cnc2c1ncnc2N	ZINC000257211656	212002792	/nfs/dbraw/zinc/00/27/92/212002792.db2.gz	BZTCSYKVEZGNHN-XWCIJXRUSA-N	2	0	376.465	-0.611	40	0		GBABRP
C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)[C@H]1CCC[NH+](CC(N)=O)C1)C2)[C@H]3O	ZINC000257292661	209068717	/nfs/dbraw/zinc/06/87/17/209068717.db2.gz	QMMKVXSVGBTLTC-HZORIUTHSA-N	2	0	378.517	-0.124	40	0		GBABRP
C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CC[C@@H](CN(C(=O)[C@@H]1CCC[NH+](CC(N)=O)C1)C2)[C@H]3O	ZINC000257292662	209068188	/nfs/dbraw/zinc/06/81/88/209068188.db2.gz	QMMKVXSVGBTLTC-QWTNRPNDSA-N	2	0	378.517	-0.124	40	0		GBABRP
C[NH+](C)CCNc1nc(NCCN2CC[NH+](C)CC2)cc(C(F)(F)F)n1	ZINC000328989119	570210719	/nfs/dbraw/zinc/21/07/19/570210719.db2.gz	IIYYFCYVNANSGZ-UHFFFAOYSA-N	2	0	375.443	-0.028	40	0		GBABRP