smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000217648113	394454414	/nfs/dbraw/zinc/45/44/14/394454414.db2.gz	DXUTXKPHSNDRRT-CVEARBPZSA-N	2	1	265.445	2.076	50	70		CEIAMP
COc1ccc(C[N@@H+](C)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)c2cccnc12	ZINC000217833737	370201818	/nfs/dbraw/zinc/20/18/18/370201818.db2.gz	KWHIYIPKOCDYDU-ZSHCYNCHSA-N	2	1	297.402	2.141	50	70		CEIAMP
Cc1cc(C)n(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)n1	ZINC000159897864	366958086	/nfs/dbraw/zinc/95/80/86/366958086.db2.gz	SABXMRQJRIUHDE-HZPDHXFCSA-N	2	1	276.428	2.106	50	70		CEIAMP
C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3cccc4[nH]ccc43)C[C@H]21	ZINC000217081529	400306789	/nfs/dbraw/zinc/30/67/89/400306789.db2.gz	NBYNBZQTQLOUHM-PHZGNYQRSA-N	2	1	269.392	2.407	50	70		CEIAMP
Cc1n[nH]c(C)c1CC[N@H+](C)CC1(C)CC[NH+](C)CC1	ZINC000217133301	400307277	/nfs/dbraw/zinc/30/72/77/400307277.db2.gz	LEDHSUUSFDYOLT-UHFFFAOYSA-N	2	1	278.444	2.233	50	70		CEIAMP
C[N@@H+](CCn1ccc2ccccc21)C[C@H]1[C@@H]2C[NH2+]C[C@H]12	ZINC000217517406	370196629	/nfs/dbraw/zinc/19/66/29/370196629.db2.gz	XGBJNXDFSOWPNS-ZSHCYNCHSA-N	2	1	269.392	2.039	50	70		CEIAMP
Cc1cc(C)n(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)n1	ZINC000159897984	366958119	/nfs/dbraw/zinc/95/81/19/366958119.db2.gz	SABXMRQJRIUHDE-JKSUJKDBSA-N	2	1	276.428	2.106	50	70		CEIAMP
c1ccc(C2=CC[N@@H+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1	ZINC000217963704	189713109	/nfs/dbraw/zinc/71/31/09/189713109.db2.gz	UQUIMGHXPMDHFZ-FVQHAEBGSA-N	2	1	254.377	2.241	50	70		CEIAMP
Cc1ccc(C)c(OCC[N@H+](C)C[C@H]2[C@@H]3C[NH2+]C[C@H]23)c1	ZINC000217348379	370193995	/nfs/dbraw/zinc/19/39/95/370193995.db2.gz	RDLWPJRTYKNWLX-ZSHCYNCHSA-N	2	1	274.408	2.079	50	70		CEIAMP
CC(C)[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1	ZINC000217648184	394454534	/nfs/dbraw/zinc/45/45/34/394454534.db2.gz	DXUTXKPHSNDRRT-HOTGVXAUSA-N	2	1	265.445	2.076	50	70		CEIAMP