smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH2+][C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000002836023	631817476	/nfs/dbraw/zinc/81/74/76/631817476.db2.gz	HYHFUUJWYZCDBC-QKCLAQEOSA-N	1	1	219.237	-2.438	50	30		BAEAMO
COC(=O)[C@@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000015987659	342904449	/nfs/dbraw/zinc/90/44/49/342904449.db2.gz	KCWZGJVSDFYRIX-YFKPBYRVSA-N	1	1	233.228	-1.637	50	30	biogenic,investigational	BAEAMO
COC(=O)[C@H]([NH3+])CCCNC(N)=N[N+](=O)[O-]	ZINC000019594743	345776348	/nfs/dbraw/zinc/77/63/48/345776348.db2.gz	KCWZGJVSDFYRIX-RXMQYKEDSA-N	1	1	233.228	-1.637	50	30	biogenic,in-vitro	BAEAMO
C#CCOC[C@H](O)CN1CC[NH+](CCO)CC1	ZINC000022805066	342808462	/nfs/dbraw/zinc/80/84/62/342808462.db2.gz	JPOYETZTLHOZFX-GFCCVEGCSA-N	1	1	242.319	-1.393	50	30		BAEAMO
C#CCOC[C@@H](O)CN1CC[NH+](CCO)CC1	ZINC000022805072	384231390	/nfs/dbraw/zinc/23/13/90/384231390.db2.gz	JPOYETZTLHOZFX-LBPRGKRZSA-N	1	1	242.319	-1.393	50	30		BAEAMO
C[NH+]1CCN(C=C2C(=O)CNC2=O)CC1	ZINC000105345638	491060897	/nfs/dbraw/zinc/06/08/97/491060897.db2.gz	JVXOVCWPZUGTPU-FPLPWBNLSA-N	1	1	209.249	-1.183	50	30		BAEAMO
C[N@H+]1C[C@@]2([N+](=O)[O-])CNC(=O)[C@@]([N+](=O)[O-])(C1)C2	ZINC000169680423	173190293	/nfs/dbraw/zinc/19/02/93/173190293.db2.gz	MAKDHDJUPMVBHP-YUMQZZPRSA-N	1	1	244.207	-1.517	50	30		BAEAMO
C[N@@H+]1C[C@@]2([N+](=O)[O-])CNC(=O)[C@@]([N+](=O)[O-])(C1)C2	ZINC000169680423	173190290	/nfs/dbraw/zinc/19/02/90/173190290.db2.gz	MAKDHDJUPMVBHP-YUMQZZPRSA-N	1	1	244.207	-1.517	50	30		BAEAMO
C=CC[NH2+][C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	ZINC000255977832	633080744	/nfs/dbraw/zinc/08/07/44/633080744.db2.gz	HYHFUUJWYZCDBC-ANZWQOBJSA-N	1	1	219.237	-2.438	50	30		BAEAMO
C=CC[NH2+][C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000255977833	633081483	/nfs/dbraw/zinc/08/14/83/633081483.db2.gz	HYHFUUJWYZCDBC-QMGXLNLGSA-N	1	1	219.237	-2.438	50	30		BAEAMO
C=CC[NH2+][C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000255977834	633081554	/nfs/dbraw/zinc/08/15/54/633081554.db2.gz	HYHFUUJWYZCDBC-ZTKNNBQKSA-N	1	1	219.237	-2.438	50	30		BAEAMO