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	955461193	/nfs/dbraw/zinc/46/11/93/955461193.db2.gz	ZQDYHVZBPJPHCU-ZETCQYMHSA-N	0	1	180.207	0.615	20	50		ACGDMN
C[C@H](C(=O)[O-])[N@@H+]1CC=C(C#N)CC1	819896417	955461203	/nfs/dbraw/zinc/46/12/03/955461203.db2.gz	ZQDYHVZBPJPHCU-SSDOTTSWSA-N	0	1	180.207	0.615	20	50		ACGDMN
N#CC1=CC[N@@H+](CC(=O)[O-])CC1	821320007	955498730	/nfs/dbraw/zinc/49/87/30/955498730.db2.gz	FVBHLQHTSSOHNH-UHFFFAOYSA-N	0	1	166.180	0.227	20	50		ACGDMN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+](C)CC(=O)[O-]	1589262874	957054165	/nfs/dbraw/zinc/05/41/65/957054165.db2.gz	VJXKFSASYDWNLF-VMHSAVOQSA-N	0	1	191.658	0.876	20	50		ACGDMN
C[C@@H]1[C@H](Cl)[C@H]1C[N@@H+](C)CC(=O)[O-]	1589262872	957054258	/nfs/dbraw/zinc/05/42/58/957054258.db2.gz	VJXKFSASYDWNLF-HAFWLYHUSA-N	0	1	191.658	0.876	20	50		ACGDMN
C[C@H]1[C@@H](C[N@@H+](C)CC(=O)[O-])[C@@H]1Cl	1589262873	957054383	/nfs/dbraw/zinc/05/43/83/957054383.db2.gz	VJXKFSASYDWNLF-SHYZEUOFSA-N	0	1	191.658	0.876	20	50		ACGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+](C)CC(=O)[O-]	1589262871	957054593	/nfs/dbraw/zinc/05/45/93/957054593.db2.gz	VJXKFSASYDWNLF-BBVRLYRLSA-N	0	1	191.658	0.876	20	50		ACGDMN
N#CC1=CC[N@@H+](CCC(=O)[O-])CC1	1611291389	970978794	/nfs/dbraw/zinc/97/87/94/970978794.db2.gz	UAPCFVMGHGPFMX-UHFFFAOYSA-N	0	1	180.207	0.617	20	50		ACGDMN
C[C@H]1CC(=NNC(=O)[O-])CC[N@H+]1C	736750773	978354345	/nfs/dbraw/zinc/35/43/45/978354345.db2.gz	ROKZFAVENSHUPR-LURJTMIESA-N	0	1	185.227	0.724	20	50		ACGDMN
C[C@@H]1CC(=NNC(=O)[O-])CC[N@H+]1C	736750775	978354467	/nfs/dbraw/zinc/35/44/67/978354467.db2.gz	ROKZFAVENSHUPR-ZCFIWIBFSA-N	0	1	185.227	0.724	20	50		ACGDMN
CC[N@H+]1CCC(=NNC(=O)[O-])[C@H](C)C1	737113522	978379731	/nfs/dbraw/zinc/37/97/31/978379731.db2.gz	WCHDQFJFJBOEBZ-SSDOTTSWSA-N	0	1	199.254	0.972	20	50		ACGDMN
CC[N@H+]1CCC(=NNC(=O)[O-])[C@@H](C)C1	737113523	978379910	/nfs/dbraw/zinc/37/99/10/978379910.db2.gz	WCHDQFJFJBOEBZ-ZETCQYMHSA-N	0	1	199.254	0.972	20	50		ACGDMN
C[C@H]1C[N@H+](C2CC2)CC1=NNC(=O)[O-]	826049770	603484360	/nfs/dbraw/zinc/48/43/60/603484360.db2.gz	NZNIGASKZAZATE-LURJTMIESA-N	0	1	197.238	0.724	20	50		ACGDMN
C[C@H]1C[N@@H+](C2CC2)CC1=NNC(=O)[O-]	826049770	603484357	/nfs/dbraw/zinc/48/43/57/603484357.db2.gz	NZNIGASKZAZATE-LURJTMIESA-N	0	1	197.238	0.724	20	50		ACGDMN
C[C@@H]1C[N@@H+](C2CC2)CC1=NNC(=O)[O-]	826049771	603484365	/nfs/dbraw/zinc/48/43/65/603484365.db2.gz	NZNIGASKZAZATE-ZCFIWIBFSA-N	0	1	197.238	0.724	20	50		ACGDMN
C[C@@H]1C[N@H+](C2CC2)CC1=NNC(=O)[O-]	826049771	603484367	/nfs/dbraw/zinc/48/43/67/603484367.db2.gz	NZNIGASKZAZATE-ZCFIWIBFSA-N	0	1	197.238	0.724	20	50		ACGDMN
C[C@H]1C[N@H+](C)CC1=NNC(=O)[O-]	826050278	603726083	/nfs/dbraw/zinc/72/60/83/603726083.db2.gz	VGMPPOXFVAPZEH-YFKPBYRVSA-N	0	1	171.200	0.192	20	50		ACGDMN
C[C@H]1C[N@@H+](C)CC1=NNC(=O)[O-]	826050278	603726086	/nfs/dbraw/zinc/72/60/86/603726086.db2.gz	VGMPPOXFVAPZEH-YFKPBYRVSA-N	0	1	171.200	0.192	20	50		ACGDMN
C[C@@H]1C[N@H+](C)CC1=NNC(=O)[O-]	826050277	603726303	/nfs/dbraw/zinc/72/63/03/603726303.db2.gz	VGMPPOXFVAPZEH-RXMQYKEDSA-N	0	1	171.200	0.192	20	50		ACGDMN
C[C@@H]1C[N@@H+](C)CC1=NNC(=O)[O-]	826050277	603726307	/nfs/dbraw/zinc/72/63/07/603726307.db2.gz	VGMPPOXFVAPZEH-RXMQYKEDSA-N	0	1	171.200	0.192	20	50		ACGDMN
C[C@H]1CC(=NNC(=O)[O-])C[N@@H+]1C1CC1	825777770	604009401	/nfs/dbraw/zinc/00/94/01/604009401.db2.gz	CADWQICPJIRCKI-LURJTMIESA-N	0	1	197.238	0.867	20	50		ACGDMN
C[C@H]1CC(=NNC(=O)[O-])C[N@H+]1C1CC1	825777770	604009404	/nfs/dbraw/zinc/00/94/04/604009404.db2.gz	CADWQICPJIRCKI-LURJTMIESA-N	0	1	197.238	0.867	20	50		ACGDMN
C[C@@H]1CC(=NNC(=O)[O-])C[N@@H+]1C1CC1	825777771	604009506	/nfs/dbraw/zinc/00/95/06/604009506.db2.gz	CADWQICPJIRCKI-ZCFIWIBFSA-N	0	1	197.238	0.867	20	50		ACGDMN
C[C@@H]1CC(=NNC(=O)[O-])C[N@H+]1C1CC1	825777771	604009513	/nfs/dbraw/zinc/00/95/13/604009513.db2.gz	CADWQICPJIRCKI-ZCFIWIBFSA-N	0	1	197.238	0.867	20	50		ACGDMN
CC(C)[N@@H+]1CC(=NNC(=O)[O-])[C@H](C)C1	826043103	604046039	/nfs/dbraw/zinc/04/60/39/604046039.db2.gz	WPAPDPBFRCPWBU-SSDOTTSWSA-N	0	1	199.254	0.970	20	50		ACGDMN
CC(C)[N@@H+]1CC(=NNC(=O)[O-])[C@@H](C)C1	826043104	604045621	/nfs/dbraw/zinc/04/56/21/604045621.db2.gz	WPAPDPBFRCPWBU-ZETCQYMHSA-N	0	1	199.254	0.970	20	50		ACGDMN
C[C@@H]1CC(=NNC(=O)[O-])C[N@@H+]1C	825777996	604824726	/nfs/dbraw/zinc/82/47/26/604824726.db2.gz	GUIOYXCWEZKYPA-RXMQYKEDSA-N	0	1	171.200	0.334	20	50		ACGDMN
C[C@@H]1CC(=NNC(=O)[O-])C[N@H+]1C	825777996	604824730	/nfs/dbraw/zinc/82/47/30/604824730.db2.gz	GUIOYXCWEZKYPA-RXMQYKEDSA-N	0	1	171.200	0.334	20	50		ACGDMN
C[C@H]1CC(=NNC(=O)[O-])C[N@@H+]1C	825777997	604826363	/nfs/dbraw/zinc/82/63/63/604826363.db2.gz	GUIOYXCWEZKYPA-YFKPBYRVSA-N	0	1	171.200	0.334	20	50		ACGDMN
C[C@H]1CC(=NNC(=O)[O-])C[N@H+]1C	825777997	604826368	/nfs/dbraw/zinc/82/63/68/604826368.db2.gz	GUIOYXCWEZKYPA-YFKPBYRVSA-N	0	1	171.200	0.334	20	50		ACGDMN