smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1[nH]cnc2c1nc(N1CC[NH+](C[C@H](O)CO)CC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000016546180	557474435	/nfs/dbraw/zinc/47/44/35/557474435.db2.gz	CBFLAXHZRPKUSN-GVHPOEMQSA-N	1	1	426.430	-3.794	40	0		IAABMO
O=c1[nH]cnc2c1nc(N1CC[NH+](C[C@H](O)CO)CC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000016546184	527446155	/nfs/dbraw/zinc/44/61/55/527446155.db2.gz	CBFLAXHZRPKUSN-QENPXYIGSA-N	1	1	426.430	-3.794	40	0		IAABMO
O=c1[nH]cnc2c1nc(N1CC[NH+](C[C@H](O)CO)CC1)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000033709097	557809199	/nfs/dbraw/zinc/80/91/99/557809199.db2.gz	CBFLAXHZRPKUSN-VMCRYPJNSA-N	1	1	426.430	-3.794	40	0		IAABMO
O=c1[nH]cnc2c1nc(N1CC[NH+](C[C@H](O)CO)CC1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000033709098	557809180	/nfs/dbraw/zinc/80/91/80/557809180.db2.gz	CBFLAXHZRPKUSN-YNOLBEGSSA-N	1	1	426.430	-3.794	40	0		IAABMO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@@H+](C)C3)[C@H](O)[C@@H]2O	ZINC000096129471	569385715	/nfs/dbraw/zinc/38/57/15/569385715.db2.gz	FRKKKUPBZQTQGU-ZWRLCHQNSA-N	1	1	440.497	-2.856	40	0		IAABMO
CC(=O)N1C[C@H]2O[C@@H](CC(=O)N[C@H]3C[C@@H](C(=O)N4CCO[C@H](C1)C4)[N@H+](C)C3)[C@H](O)[C@@H]2O	ZINC000096129471	569385714	/nfs/dbraw/zinc/38/57/14/569385714.db2.gz	FRKKKUPBZQTQGU-ZWRLCHQNSA-N	1	1	440.497	-2.856	40	0		IAABMO
O=S1(=O)CCN(Cc2cn(C[C@H]3C[C@@H]([NH2+]Cc4nccs4)[C@H](O)[C@@H]3O)nn2)CC1	ZINC000225501351	291304019	/nfs/dbraw/zinc/30/40/19/291304019.db2.gz	FTRUKEXLZYABOH-WNOSKKOXSA-N	1	1	442.567	-1.135	40	0	biogenic,in-vitro	IAABMO
COCC(=O)NC[C@]1(O)C[N@@H+](Cc2ccc(OCC(=O)N3CCOCC3)cc2)C[C@H]1O	ZINC000257239499	556710321	/nfs/dbraw/zinc/71/03/21/556710321.db2.gz	HPOGCRXLPXLVNP-NQIIRXRSSA-N	1	1	437.493	-1.406	40	0		IAABMO
Cn1c2ncn([C@H]3CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@H](O)C[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585286983	557225763	/nfs/dbraw/zinc/22/57/63/557225763.db2.gz	YNRJVPWKVLPNKP-ACQVZOFHSA-N	1	1	437.457	-3.478	40	0		IAABMO
Cn1c2ncn([C@H]3CN(C(=O)[C@@H]([NH3+])CC(N)=O)C[C@H](O)C[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000585286987	557225802	/nfs/dbraw/zinc/22/58/02/557225802.db2.gz	YNRJVPWKVLPNKP-UYLUIQCMSA-N	1	1	437.457	-3.478	40	0		IAABMO
O=C(C1C[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)C1)N1CCOCC1	ZINC000585291226	557228590	/nfs/dbraw/zinc/22/85/90/557228590.db2.gz	LZAKATVAAWIGTG-MJGOQNOKSA-N	1	1	425.507	-1.427	40	0		IAABMO
C[C@@]1(O)CC2(CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC2)OC[C@H]1n1cnc2c1ncnc2N	ZINC000585291703	557229429	/nfs/dbraw/zinc/22/94/29/557229429.db2.gz	RVSWFKRSBWWKIN-SEDUGSJDSA-N	1	1	432.485	-1.315	40	0		IAABMO