smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)NCCNC(=O)[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1	ZINC000008299041	554565449	/nfs/dbraw/zinc/56/54/49/554565449.db2.gz	YARQAAOJLHYEHQ-WWNPGLIZSA-N	2	1	453.591	0.873	40	0	biogenic,in-vitro	JCABMP
COc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)ccc1OCCC[NH+](C)C	ZINC000257262986	570127351	/nfs/dbraw/zinc/12/73/51/570127351.db2.gz	LNWMNAJCZZCYRT-FYYLOGMGSA-N	2	1	461.563	0.477	40	0		JCABMP
COc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3cnc[nH]3)[C@H](O)C2)ccc1OCCC[NH+](C)C	ZINC000257262986	570127349	/nfs/dbraw/zinc/12/73/49/570127349.db2.gz	LNWMNAJCZZCYRT-FYYLOGMGSA-N	2	1	461.563	0.477	40	0		JCABMP
COc1cc(C[N@H+]2CC[C@@](O)(CNC(=O)c3cscn3)[C@H](O)C2)ccc1OCC[NH+](C)C	ZINC000585272317	1068006005	/nfs/dbraw/zinc/00/60/05/1068006005.db2.gz	KEEGGJNEIMEOOV-IFMALSPDSA-N	2	1	464.588	0.820	40	0		JCABMP
COc1cc(C[N@@H+]2CC[C@@](O)(CNC(=O)c3cscn3)[C@H](O)C2)ccc1OCC[NH+](C)C	ZINC000585272317	1068005987	/nfs/dbraw/zinc/00/59/87/1068005987.db2.gz	KEEGGJNEIMEOOV-IFMALSPDSA-N	2	1	464.588	0.820	40	0		JCABMP
COc1cc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)ccc1OCCC[NH+](C)C	ZINC000585273513	1068007283	/nfs/dbraw/zinc/00/72/83/1068007283.db2.gz	QFYAWSZLLUISIO-VWNXMTODSA-N	2	1	458.559	0.758	40	0		JCABMP
COc1cc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3ccccn3)C2)ccc1OCCC[NH+](C)C	ZINC000585273513	1068007279	/nfs/dbraw/zinc/00/72/79/1068007279.db2.gz	QFYAWSZLLUISIO-VWNXMTODSA-N	2	1	458.559	0.758	40	0		JCABMP
COc1cc(C[N@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)ccc1OCC[NH+](C)C	ZINC000585273855	1068007226	/nfs/dbraw/zinc/00/72/26/1068007226.db2.gz	SGZIXFKDAIECNH-CTNGQTDRSA-N	2	1	450.561	0.430	40	0		JCABMP
COc1cc(C[N@@H+]2C[C@@H](O)[C@](O)(CNC(=O)c3cscn3)C2)ccc1OCC[NH+](C)C	ZINC000585273855	1068007215	/nfs/dbraw/zinc/00/72/15/1068007215.db2.gz	SGZIXFKDAIECNH-CTNGQTDRSA-N	2	1	450.561	0.430	40	0		JCABMP
COCC(=O)NC[C@]1(O)C[N@@H+](Cc2ccc(OCC[NH+]3CCC(C)CC3)c(OC)c2)C[C@H]1O	ZINC000585274407	1068006701	/nfs/dbraw/zinc/00/67/01/1068006701.db2.gz	WAIOKRGAWDXFJB-VWNXMTODSA-N	2	1	465.591	0.476	40	0		JCABMP
COCC(=O)NC[C@]1(O)C[N@H+](Cc2ccc(OCC[NH+]3CCC(C)CC3)c(OC)c2)C[C@H]1O	ZINC000585274407	1068006690	/nfs/dbraw/zinc/00/66/90/1068006690.db2.gz	WAIOKRGAWDXFJB-VWNXMTODSA-N	2	1	465.591	0.476	40	0		JCABMP