smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+]C[C@@H]([NH3+])c1cc(CO)ccc1O	72200177	169202669	/nfs/dbraw/zinc/20/26/69/169202669.db2.gz	WBIAZGIVJUJDTI-MRVPVSSYSA-N	2	2	182.223	-0.157	10	10		ABCELP
[NH3+]C[C@@H]([NH3+])c1ccc(O)c(O)c1O	72200205	169202933	/nfs/dbraw/zinc/20/29/33/169202933.db2.gz	VXDIHXMEHHHQRD-RXMQYKEDSA-N	2	2	184.195	-0.238	10	10		ABCELP
NC(=O)c1ccc(O)c([C@H]([NH3+])C[NH3+])c1	72200447	169202997	/nfs/dbraw/zinc/20/29/97/169202997.db2.gz	OYSUBTGNVJUMEQ-SSDOTTSWSA-N	2	2	195.222	-0.550	10	10		ABCELP
[NH3+]C[C@@H]([NH3+])c1cccc(CO)c1O	72200179	169203194	/nfs/dbraw/zinc/20/31/94/169203194.db2.gz	HERSGVOUESSYFM-MRVPVSSYSA-N	2	2	182.223	-0.157	10	10		ABCELP
[NH3+]C[C@@H]([NH3+])c1c(O)cc(O)cc1O	72200201	169203526	/nfs/dbraw/zinc/20/35/26/169203526.db2.gz	DHUYYDYZRMJQRA-RXMQYKEDSA-N	2	2	184.195	-0.238	10	10		ABCELP
[NH3+]C[C@@H]([NH3+])c1cc(O)c(O)c(O)c1	72200203	169203857	/nfs/dbraw/zinc/20/38/57/169203857.db2.gz	PEDKNWGMMCYJAF-RXMQYKEDSA-N	2	2	184.195	-0.238	10	10		ABCELP
[NH3+]C[C@@H]([NH3+])c1cc(O)c(O)cc1O	72200199	169203868	/nfs/dbraw/zinc/20/38/68/169203868.db2.gz	XSVHVWANIOIDTJ-RXMQYKEDSA-N	2	2	184.195	-0.238	10	10		ABCELP
[NH3+]C[C@H]([NH3+])c1cc(O)c(O)cc1O	72200200	169212374	/nfs/dbraw/zinc/21/23/74/169212374.db2.gz	XSVHVWANIOIDTJ-YFKPBYRVSA-N	2	2	184.195	-0.238	10	10		ABCELP
[NH3+]C[C@H]([NH3+])c1cc(O)c(O)c(O)c1	72200204	169212550	/nfs/dbraw/zinc/21/25/50/169212550.db2.gz	PEDKNWGMMCYJAF-YFKPBYRVSA-N	2	2	184.195	-0.238	10	10		ABCELP
[NH3+]C[C@H]([NH3+])c1ccc(O)c(O)c1O	72200206	169212841	/nfs/dbraw/zinc/21/28/41/169212841.db2.gz	VXDIHXMEHHHQRD-YFKPBYRVSA-N	2	2	184.195	-0.238	10	10		ABCELP
[NH3+]C[C@H]([NH3+])c1cccc(CO)c1O	72200180	169212860	/nfs/dbraw/zinc/21/28/60/169212860.db2.gz	HERSGVOUESSYFM-QMMMGPOBSA-N	2	2	182.223	-0.157	10	10		ABCELP
NC(=O)c1ccc(O)c([C@@H]([NH3+])C[NH3+])c1	72200448	169212991	/nfs/dbraw/zinc/21/29/91/169212991.db2.gz	OYSUBTGNVJUMEQ-ZETCQYMHSA-N	2	2	195.222	-0.550	10	10		ABCELP
[NH3+]C[C@H]([NH3+])c1c(O)cc(O)cc1O	72200202	169213244	/nfs/dbraw/zinc/21/32/44/169213244.db2.gz	DHUYYDYZRMJQRA-YFKPBYRVSA-N	2	2	184.195	-0.238	10	10		ABCELP
[NH3+]C[C@H]([NH3+])c1cc(CO)ccc1O	72200178	169213423	/nfs/dbraw/zinc/21/34/23/169213423.db2.gz	WBIAZGIVJUJDTI-QMMMGPOBSA-N	2	2	182.223	-0.157	10	10		ABCELP
[NH3+]Cc1ccc(O)c([C@H]([NH3+])C[NH3+])c1	72200163	169223793	/nfs/dbraw/zinc/22/37/93/169223793.db2.gz	QOUYXXKIWITHAG-MRVPVSSYSA-N	3	2	181.239	-0.191	10	10		ABCELP
[NH3+]Cc1ccc(O)c([C@@H]([NH3+])C[NH3+])c1	72200164	169223802	/nfs/dbraw/zinc/22/38/02/169223802.db2.gz	QOUYXXKIWITHAG-QMMMGPOBSA-N	3	2	181.239	-0.191	10	10		ABCELP
Nc1ccc(O)c(C([NH3+])[NH3+])c1	39059485	169292793	/nfs/dbraw/zinc/29/27/93/169292793.db2.gz	XPXORTCEDAWLJV-UHFFFAOYSA-N	2	2	153.185	-0.110	10	10		ABCELP
Nc1ccc(O)c([C@H]([NH3+])C[NH3+])c1	104573309	573023200	/nfs/dbraw/zinc/02/32/00/573023200.db2.gz	OQRXDJXUEVSKOM-SSDOTTSWSA-N	2	2	167.212	-0.067	10	10		ABCELP
Nc1ccc(O)c([C@@H]([NH3+])C[NH3+])c1	104573315	573023352	/nfs/dbraw/zinc/02/33/52/573023352.db2.gz	OQRXDJXUEVSKOM-ZETCQYMHSA-N	2	2	167.212	-0.067	10	10		ABCELP
Cn1ccnc1C1=C[C@H]([NH3+])C[NH2+]C1	675078818	566312094	/nfs/dbraw/zinc/31/20/94/566312094.db2.gz	UESUDPOBVPXGPB-QMMMGPOBSA-N	2	2	178.239	-0.266	10	10		ABCELP
Cn1ccnc1C1=C[C@@H]([NH3+])C[NH2+]C1	675078817	566313144	/nfs/dbraw/zinc/31/31/44/566313144.db2.gz	UESUDPOBVPXGPB-MRVPVSSYSA-N	2	2	178.239	-0.266	10	10		ABCELP
[NH3+]CCc1[nH]c2c([nH+]1)CC[S@](=O)C2	75125099	572827831	/nfs/dbraw/zinc/82/78/31/572827831.db2.gz	UTKSKYMTGGBYOH-CYBMUJFWSA-N	2	2	199.279	-0.284	10	10		ABCELP
[NH3+]CCc1[nH]c2c([nH+]1)C[S@@](=O)CC2	75125099	572827832	/nfs/dbraw/zinc/82/78/32/572827832.db2.gz	UTKSKYMTGGBYOH-CYBMUJFWSA-N	2	2	199.279	-0.284	10	10		ABCELP
[NH3+]CCc1[nH]c2c([nH+]1)CC[S@@](=O)C2	75125096	572827658	/nfs/dbraw/zinc/82/76/58/572827658.db2.gz	UTKSKYMTGGBYOH-ZDUSSCGKSA-N	2	2	199.279	-0.284	10	10		ABCELP
[NH3+]CCc1[nH]c2c([nH+]1)C[S@](=O)CC2	75125096	572827663	/nfs/dbraw/zinc/82/76/63/572827663.db2.gz	UTKSKYMTGGBYOH-ZDUSSCGKSA-N	2	2	199.279	-0.284	10	10		ABCELP
NC(C[NH3+])=[NH+]NCc1ccc(N)cc1	238600877	572862023	/nfs/dbraw/zinc/86/20/23/572862023.db2.gz	TUUCNNXRGRNGRZ-UHFFFAOYSA-N	2	2	193.254	-0.201	10	10		ABCELP
[NH3+]CC[NH2+]Cc1ccc(O)c(O)c1O	236264056	572879753	/nfs/dbraw/zinc/87/97/53/572879753.db2.gz	BZSCQYKLNFERSR-UHFFFAOYSA-N	2	2	198.222	-0.148	10	10		ABCELP
NC1=CC(=[NH2+])C(=[NH2+])C=C1N	104565023	573014888	/nfs/dbraw/zinc/01/48/88/573014888.db2.gz	RXIGSRMPMGACBG-UHFFFAOYSA-N	2	2	136.158	-0.275	10	10		ABCELP