smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](C(=O)[O-])[N@H+]1CC=C(C#N)CC1	819896421	955461174	/nfs/dbraw/zinc/46/11/74/955461174.db2.gz	ZQDYHVZBPJPHCU-ZETCQYMHSA-N	0	0	180.207	0.615	20	50		ACGDRN
C[C@H](C(=O)[O-])[N@H+]1CC=C(C#N)CC1	819896417	955461200	/nfs/dbraw/zinc/46/12/00/955461200.db2.gz	ZQDYHVZBPJPHCU-SSDOTTSWSA-N	0	0	180.207	0.615	20	50		ACGDRN
N#CC1=CC[N@H+](CC(=O)[O-])CC1	821320007	955498717	/nfs/dbraw/zinc/49/87/17/955498717.db2.gz	FVBHLQHTSSOHNH-UHFFFAOYSA-N	0	0	166.180	0.227	20	50		ACGDRN
C[C@H]([NH2+]C[C@@H]1[C@H](C)[C@H]1Cl)C(=O)[O-]	1589261927	957039389	/nfs/dbraw/zinc/03/93/89/957039389.db2.gz	IGICWTKIFZZXIY-VWDOSNQTSA-N	0	0	191.658	0.922	20	50		ACGDRN
C[C@H]([NH2+]C[C@@H]1[C@H](C)[C@@H]1Cl)C(=O)[O-]	1589261928	957039519	/nfs/dbraw/zinc/03/95/19/957039519.db2.gz	IGICWTKIFZZXIY-YTLHQDLWSA-N	0	0	191.658	0.922	20	50		ACGDRN
C[C@H]([NH2+]C[C@H]1[C@H](C)[C@@H]1Cl)C(=O)[O-]	1589261926	957039747	/nfs/dbraw/zinc/03/97/47/957039747.db2.gz	IGICWTKIFZZXIY-AXMZGBSTSA-N	0	0	191.658	0.922	20	50		ACGDRN
C[C@H]([NH2+]C[C@H]1[C@H](C)[C@H]1Cl)C(=O)[O-]	1589261929	957040334	/nfs/dbraw/zinc/04/03/34/957040334.db2.gz	IGICWTKIFZZXIY-ZTYPAOSTSA-N	0	0	191.658	0.922	20	50		ACGDRN
C[C@@H]1[C@H](Cl)[C@H]1C[NH2+]CCC(=O)[O-]	1589262876	957053631	/nfs/dbraw/zinc/05/36/31/957053631.db2.gz	VMLRGHMVVVPIQK-HAFWLYHUSA-N	0	0	191.658	0.924	20	50		ACGDRN
C[C@@H]1[C@H](Cl)[C@@H]1C[NH2+]CCC(=O)[O-]	1589262875	957053741	/nfs/dbraw/zinc/05/37/41/957053741.db2.gz	VMLRGHMVVVPIQK-BBVRLYRLSA-N	0	0	191.658	0.924	20	50		ACGDRN
C[C@@H]1[C@@H](Cl)[C@H]1C[NH2+]CCC(=O)[O-]	1589262878	957053926	/nfs/dbraw/zinc/05/39/26/957053926.db2.gz	VMLRGHMVVVPIQK-VMHSAVOQSA-N	0	0	191.658	0.924	20	50		ACGDRN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@H+](C)CC(=O)[O-]	1589262874	957054151	/nfs/dbraw/zinc/05/41/51/957054151.db2.gz	VJXKFSASYDWNLF-VMHSAVOQSA-N	0	0	191.658	0.876	20	50		ACGDRN
C[C@@H]1[C@H](Cl)[C@H]1C[N@H+](C)CC(=O)[O-]	1589262872	957054252	/nfs/dbraw/zinc/05/42/52/957054252.db2.gz	VJXKFSASYDWNLF-HAFWLYHUSA-N	0	0	191.658	0.876	20	50		ACGDRN
C[C@H]1[C@@H](C[N@H+](C)CC(=O)[O-])[C@@H]1Cl	1589262873	957054372	/nfs/dbraw/zinc/05/43/72/957054372.db2.gz	VJXKFSASYDWNLF-SHYZEUOFSA-N	0	0	191.658	0.876	20	50		ACGDRN
C[C@H]1[C@@H](C[NH2+]CCC(=O)[O-])[C@@H]1Cl	1589262877	957054427	/nfs/dbraw/zinc/05/44/27/957054427.db2.gz	VMLRGHMVVVPIQK-SHYZEUOFSA-N	0	0	191.658	0.924	20	50		ACGDRN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+](C)CC(=O)[O-]	1589262871	957054583	/nfs/dbraw/zinc/05/45/83/957054583.db2.gz	VJXKFSASYDWNLF-BBVRLYRLSA-N	0	0	191.658	0.876	20	50		ACGDRN
CCn1cncc1/C=C(\C#N)C(=O)[O-]	217927969	959781002	/nfs/dbraw/zinc/78/10/02/959781002.db2.gz	WJBWMAPSLRZJOF-XVNBXDOJSA-N	0	0	191.190	0.895	20	50		ACGDRN
N#CC1=CC[N@H+](CCC(=O)[O-])CC1	1611291389	970978787	/nfs/dbraw/zinc/97/87/87/970978787.db2.gz	UAPCFVMGHGPFMX-UHFFFAOYSA-N	0	0	180.207	0.617	20	50		ACGDRN
C[C@H]1CC(=NNC(=O)[O-])CC[N@@H+]1C	736750773	978354333	/nfs/dbraw/zinc/35/43/33/978354333.db2.gz	ROKZFAVENSHUPR-LURJTMIESA-N	0	0	185.227	0.724	20	50		ACGDRN
C[C@@H]1CC(=NNC(=O)[O-])CC[N@@H+]1C	736750775	978354465	/nfs/dbraw/zinc/35/44/65/978354465.db2.gz	ROKZFAVENSHUPR-ZCFIWIBFSA-N	0	0	185.227	0.724	20	50		ACGDRN
CC[N@@H+]1CCC(=NNC(=O)[O-])[C@H](C)C1	737113522	978379714	/nfs/dbraw/zinc/37/97/14/978379714.db2.gz	WCHDQFJFJBOEBZ-SSDOTTSWSA-N	0	0	199.254	0.972	20	50		ACGDRN
CC[N@@H+]1CCC(=NNC(=O)[O-])[C@@H](C)C1	737113523	978379903	/nfs/dbraw/zinc/37/99/03/978379903.db2.gz	WCHDQFJFJBOEBZ-ZETCQYMHSA-N	0	0	199.254	0.972	20	50		ACGDRN
CC(C)[N@H+]1CC(=NNC(=O)[O-])[C@@H](C)C1	826043104	604045615	/nfs/dbraw/zinc/04/56/15/604045615.db2.gz	WPAPDPBFRCPWBU-ZETCQYMHSA-N	0	0	199.254	0.970	20	50		ACGDRN
CC(C)[N@H+]1CC(=NNC(=O)[O-])[C@H](C)C1	826043103	604046035	/nfs/dbraw/zinc/04/60/35/604046035.db2.gz	WPAPDPBFRCPWBU-SSDOTTSWSA-N	0	0	199.254	0.970	20	50		ACGDRN