smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@@H]1C[C@H]2c3cccc4c3c(cn4CC(C)C)C[C@H]2N(C)C1	ZINC000029487602	202188332	/nfs/dbraw/zinc/18/83/32/202188332.db2.gz	XVMWFBHUQPZHDJ-HHXXYDBFSA-N	0	3	340.467	3.430	1	10		EGCFHN
[O-]c1ccc2ccccc2c1[C@H](c1ccccn1)[NH+]1CCC(O)CC1	ZINC000072178645	216065895	/nfs/dbraw/zinc/06/58/95/216065895.db2.gz	OVKGEQKZRPZLFE-NRFANRHFSA-N	0	3	334.419	3.487	1	10		EGCFHN
C[NH+](C)Cc1ccc(/C=C/c2ccc(C[NH+](C)C)c([O-])c2)cc1[O-]	ZINC000073197245	216361978	/nfs/dbraw/zinc/36/19/78/216361978.db2.gz	IVJSRMKBPTZQLD-AATRIKPKSA-N	0	3	326.440	3.391	1	10		EGCFHN
[O-]c1ccc2ccccc2c1[C@@H](c1ccncc1)[NH+]1CCC(O)CC1	ZINC000072178212	216066574	/nfs/dbraw/zinc/06/65/74/216066574.db2.gz	ANWMQIUHHCLJIN-OAQYLSRUSA-N	0	3	334.419	3.487	1	10		EGCFHN
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@@H]2N	ZINC000033832040	560088534	/nfs/dbraw/zinc/08/85/34/560088534.db2.gz	NFXKGLBUURRKEA-IULIOSHDSA-N	0	3	345.439	3.224	1	10	biogenic,in-vitro	EGCFHN
CCCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2	ZINC000040374415	213293050	/nfs/dbraw/zinc/29/30/50/213293050.db2.gz	OPSLFUQVYYSYDA-YXJHDRRASA-N	0	3	326.440	3.184	1	10		EGCFHN
COc1ccc(OC)c(-c2ccc([O-])c(C[NH2+]CCCN(C)C)c2)c1	ZINC000053193481	214169290	/nfs/dbraw/zinc/16/92/90/214169290.db2.gz	LWFIFMCNENFYKO-UHFFFAOYSA-N	0	3	344.455	3.118	1	10		EGCFHN
COC(=O)[C@H]1C[C@@H]2c3cccc4c3c(cn4CC(C)C)C[C@@H]2N(C)C1	ZINC000169312472	533547029	/nfs/dbraw/zinc/54/70/29/533547029.db2.gz	XVMWFBHUQPZHDJ-WDYCEAGBSA-N	0	3	340.467	3.430	1	10		EGCFHN
CCc1c([O-])[n+]2c(-c3ccccc3)csc2n(CC2CC2)c1=O	ZINC000101330679	219122311	/nfs/dbraw/zinc/12/23/11/219122311.db2.gz	RZLNMBMFWWRXGJ-AWEZNQCLSA-N	0	3	327.429	3.126	1	10		EGCFHN
CCCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OC)CN(C)[C@@H]1C2	ZINC000040374412	213293314	/nfs/dbraw/zinc/29/33/14/213293314.db2.gz	OPSLFUQVYYSYDA-QILLFSRXSA-N	0	3	326.440	3.184	1	10		EGCFHN
[O-]c1ccc2ccccc2c1[C@H](c1ccncc1)[NH+]1CCC(O)CC1	ZINC000072178213	216066251	/nfs/dbraw/zinc/06/62/51/216066251.db2.gz	ANWMQIUHHCLJIN-NRFANRHFSA-N	0	3	334.419	3.487	1	10		EGCFHN
CCCn1cc2c3c1cccc3[C@@H]1C[C@@H](C(=O)OC)CN(C)[C@@H]1C2	ZINC000029484136	202188298	/nfs/dbraw/zinc/18/82/98/202188298.db2.gz	OPSLFUQVYYSYDA-UWWQBHOKSA-N	0	3	326.440	3.184	1	10		EGCFHN
CCCC(=O)NC[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2N(C)C1	ZINC000103297444	204073003	/nfs/dbraw/zinc/07/30/03/204073003.db2.gz	IFHQKKXJNWFYHA-POZUXBRTSA-N	0	3	339.483	3.055	1	10		EGCFHN
Nc1c2ccccc2nc2c(C(=O)NCCc3ccccn3)cccc12	ZINC000029248636	212658723	/nfs/dbraw/zinc/65/87/23/212658723.db2.gz	YZHFTRDSTRXMDG-UHFFFAOYSA-N	0	3	342.402	3.338	1	10		EGCFHN
CCc1c([O-])[n+]2c(-c3ccccc3)csc2n(CC2CC2)c1=O	ZINC000101330682	219122320	/nfs/dbraw/zinc/12/23/20/219122320.db2.gz	RZLNMBMFWWRXGJ-CQSZACIVSA-N	0	3	327.429	3.126	1	10		EGCFHN
CN1CC[NH+](Cc2c3cc(Cc4ccccc4)oc3ccc2[O-])CC1	ZINC000103262333	219278701	/nfs/dbraw/zinc/27/87/01/219278701.db2.gz	PMLNTBMWOYJECU-UHFFFAOYSA-N	0	3	336.435	3.477	1	10		EGCFHN
[O-]c1ccc2ccccc2c1[C@@H](c1ccccn1)[NH+]1CCC(O)CC1	ZINC000072178644	216066275	/nfs/dbraw/zinc/06/62/75/216066275.db2.gz	OVKGEQKZRPZLFE-OAQYLSRUSA-N	0	3	334.419	3.487	1	10		EGCFHN
CC(C)c1cc2c(c(O)c1O)[C@]13CCCC(C)(C)[C@H]1[C@@H](OC3=O)[C@H]2N	ZINC000085532074	560073076	/nfs/dbraw/zinc/07/30/76/560073076.db2.gz	NFXKGLBUURRKEA-FVINJOMDSA-N	0	3	345.439	3.224	1	10	biogenic,in-vitro	EGCFHN
[O-]c1cc(O)cc2c1[C@@H](Cc1ccc(Br)cc1)[NH2+]CC2	ZINC000103173763	219265410	/nfs/dbraw/zinc/26/54/10/219265410.db2.gz	ZRGHJFPBRWVZQV-CQSZACIVSA-N	0	3	334.213	3.290	1	10		EGCFHN
[O-]c1cc(Nc2ccnc3cc(Cl)ccc32)ccc1C[NH2+]CCO	ZINC000103215246	219271583	/nfs/dbraw/zinc/27/15/83/219271583.db2.gz	XWFDHJWAHCWCRX-UHFFFAOYSA-N	0	3	343.814	3.419	1	10		EGCFHN
[O-]c1cc(O)cc2c1[C@H](Cc1ccc(Br)cc1)[NH2+]CC2	ZINC000103173767	219265474	/nfs/dbraw/zinc/26/54/74/219265474.db2.gz	ZRGHJFPBRWVZQV-AWEZNQCLSA-N	0	3	334.213	3.290	1	10		EGCFHN