smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@]1([NH3+])CCC[C@H]1[N+](=O)[O-]	687728471	571905179	/nfs/dbraw/zinc/90/51/79/571905179.db2.gz	DRLSLDFCGAKKLO-XINAWCOVSA-N	1	1	173.172	-1.002	10	5		AABEMO
NC(=O)[C@]1([NH3+])CCC[C@@H]1[N+](=O)[O-]	687728469	571905635	/nfs/dbraw/zinc/90/56/35/571905635.db2.gz	DRLSLDFCGAKKLO-NJGYIYPDSA-N	1	1	173.172	-1.002	10	5		AABEMO
NC(=O)[C@@]1([NH3+])CCC[C@@H]1[N+](=O)[O-]	687728470	571907084	/nfs/dbraw/zinc/90/70/84/571907084.db2.gz	DRLSLDFCGAKKLO-UJURSFKZSA-N	1	1	173.172	-1.002	10	5		AABEMO
NC(=O)[C@@]1([NH3+])CCC[C@H]1[N+](=O)[O-]	687728468	571907138	/nfs/dbraw/zinc/90/71/38/571907138.db2.gz	DRLSLDFCGAKKLO-INEUFUBQSA-N	1	1	173.172	-1.002	10	5		AABEMO
[NH3+]CCNC(=O)[C@H]1CC1[N+](=O)[O-]	308091835	572675035	/nfs/dbraw/zinc/67/50/35/572675035.db2.gz	UHDOEOFROLERSK-CRCLSJGQSA-N	1	1	173.172	-1.274	10	5		AABEMO
[NH3+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	308091836	572675779	/nfs/dbraw/zinc/67/57/79/572675779.db2.gz	UHDOEOFROLERSK-RFZPGFLSSA-N	1	1	173.172	-1.274	10	5		AABEMO
[NH3+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	308091837	572676821	/nfs/dbraw/zinc/67/68/21/572676821.db2.gz	UHDOEOFROLERSK-UHNVWZDZSA-N	1	1	173.172	-1.274	10	5		AABEMO
[NH3+]CCNC(=O)[C@H]1CC1[N+](=O)[O-]	308091838	572677027	/nfs/dbraw/zinc/67/70/27/572677027.db2.gz	UHDOEOFROLERSK-WHFBIAKZSA-N	1	1	173.172	-1.274	10	5		AABEMO
O=[N+]([O-])CN1CC[NH+](CCO)CC1	308425349	573701841	/nfs/dbraw/zinc/70/18/41/573701841.db2.gz	WKDAEBZUMOZQDW-UHFFFAOYSA-N	1	1	189.215	-1.170	10	5		AABEMO
C[NH2+]CCNC(=O)[C@H]1CC1[N+](=O)[O-]	308724137	573789581	/nfs/dbraw/zinc/78/95/81/573789581.db2.gz	FTWXHUPAJYFVDB-WDSKDSINSA-N	1	1	187.199	-1.013	10	5		AABEMO
C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	308724132	573790163	/nfs/dbraw/zinc/79/01/63/573790163.db2.gz	FTWXHUPAJYFVDB-PHDIDXHHSA-N	1	1	187.199	-1.013	10	5		AABEMO
C[NH2+]CCNC(=O)[C@@H]1CC1[N+](=O)[O-]	308724135	573790313	/nfs/dbraw/zinc/79/03/13/573790313.db2.gz	FTWXHUPAJYFVDB-RITPCOANSA-N	1	1	187.199	-1.013	10	5		AABEMO
CN(C)C(=O)C[NH2+]CC[N+](=O)[O-]	905023903	582642501	/nfs/dbraw/zinc/64/25/01/582642501.db2.gz	GLGQXAGZVUPPEL-UHFFFAOYSA-N	1	1	175.188	-1.059	10	5		AABEMO
C[N+](C)(N)CCO	3874370	171010127	/nfs/dbraw/zinc/01/01/27/171010127.db2.gz	AJDKDFHZEYMLII-UHFFFAOYSA-N	1	1	105.161	-1.071	10	5		AABEMO
C[NH2+]CCNC(=O)[C@H]1CC1[N+](=O)[O-]	308724129	573787833	/nfs/dbraw/zinc/78/78/33/573787833.db2.gz	FTWXHUPAJYFVDB-NTSWFWBYSA-N	1	1	187.199	-1.013	10	5		AABEMO
O=[N+]([O-])CC[N@@H+]1C[C@@H](O)C[C@@H](O)C1	929769256	631101851	/nfs/dbraw/zinc/10/18/51/631101851.db2.gz	QDNLMLGFCZQZTI-KNVOCYPGSA-N	1	1	190.199	-1.309	10	5		AABEMO
O=[N+]([O-])CC[N@H+]1C[C@@H](O)C[C@@H](O)C1	929769256	631101854	/nfs/dbraw/zinc/10/18/54/631101854.db2.gz	QDNLMLGFCZQZTI-KNVOCYPGSA-N	1	1	190.199	-1.309	10	5		AABEMO
O=[N+]([O-])CC[N@H+]1CC[C@@H](O)[C@@H](O)C1	1119828125	1224366010	/nfs/dbraw/zinc/36/60/10/1224366010.db2.gz	VTXYMQZRYVENLU-RQJHMYQMSA-N	1	1	190.199	-1.309	10	5		AABEMO
O=[N+]([O-])CC[N@@H+]1CC[C@@H](O)[C@@H](O)C1	1119828125	1224366018	/nfs/dbraw/zinc/36/60/18/1224366018.db2.gz	VTXYMQZRYVENLU-RQJHMYQMSA-N	1	1	190.199	-1.309	10	5		AABEMO