smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3cc(F)ccc3c3c(c2cc1OC)C[N@@H+]1CCC[C@H]1[C@H]3O	ZINC000066259227	205366261	/nfs/dbraw/zinc/36/62/61/205366261.db2.gz	KWEFUARKIHCTFT-PGRDOPGGSA-N	1	1	367.420	4.161	1	5		FIBFMO
Cc1cc2oc3ccc(NCC[C@H]4CCC[N@@H+]4C)cc3c(=O)c2cc1C	ZINC000012476706	207383333	/nfs/dbraw/zinc/38/33/33/207383333.db2.gz	PTGLKKAYOKIELG-QGZVFWFLSA-N	1	1	350.462	4.459	3	5		FIBFMO
O=c1c2ccccc2oc2cc(-c3ccc(C[NH+]4CCOCC4)cc3)ccc21	ZINC000036388929	208162449	/nfs/dbraw/zinc/16/24/49/208162449.db2.gz	HFIVLYFJBBOIES-UHFFFAOYSA-N	1	1	371.436	4.445	3	5		FIBFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2	ZINC000103270939	209251359	/nfs/dbraw/zinc/25/13/59/209251359.db2.gz	ZLENGVWEOQMCOO-BQJUDKOJSA-N	1	1	352.434	4.326	1	5		FIBFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)C2	ZINC000103270919	209250933	/nfs/dbraw/zinc/25/09/33/209250933.db2.gz	VNKSUONYUGXCCC-ZSXPUABSSA-N	1	1	352.434	4.326	1	5		FIBFMO
Cc1cc2oc3ccc(NCC[C@@H]4CCC[N@@H+]4C)cc3c(=O)c2cc1C	ZINC000012476712	207383488	/nfs/dbraw/zinc/38/34/88/207383488.db2.gz	PTGLKKAYOKIELG-KRWDZBQOSA-N	1	1	350.462	4.459	3	5		FIBFMO
Cn1c2ccccc2c2c1[nH+]c1ccc(Cl)cc1c2N1CCOCC1	ZINC000084690501	132199226	/nfs/dbraw/zinc/19/92/26/132199226.db2.gz	BHDUKFVIMMPNAH-UHFFFAOYSA-N	1	1	351.837	4.370	1	5		FIBFMO
C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CC[N@H+]2Cc1ccc([N+](=O)[O-])cc1	ZINC000013740356	211056124	/nfs/dbraw/zinc/05/61/24/211056124.db2.gz	PHISTALAMDWUTJ-OREJSRFESA-N	1	1	352.434	4.025	1	5		FIBFMO
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O[C@H](c1ccccc1)c1ccc([N+](=O)[O-])cc1)C2	ZINC000100834185	222254559	/nfs/dbraw/zinc/25/45/59/222254559.db2.gz	ZLENGVWEOQMCOO-IVAOSVALSA-N	1	1	352.434	4.326	1	5		FIBFMO
Cc1cc2oc3cc(NCC[C@@H]4CCC[N@@H+]4C)ccc3c(=O)c2cc1C	ZINC000101963035	222287293	/nfs/dbraw/zinc/28/72/93/222287293.db2.gz	SIDMMKXHVPHVOG-KRWDZBQOSA-N	1	1	350.462	4.459	3	5		FIBFMO
C[N@@H+]1CC=C(c2cn(-c3ccc(F)cc3)c3ccc([N+](=O)[O-])cc23)CC1	ZINC000013452426	220068952	/nfs/dbraw/zinc/06/89/52/220068952.db2.gz	XMEYKENMGPBBQT-UHFFFAOYSA-N	1	1	351.381	4.397	1	5		FIBFMO
CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCc2c(cccc2OC)C1	ZINC000026277457	220508418	/nfs/dbraw/zinc/50/84/18/220508418.db2.gz	OQFVFESDHDATCZ-LJQANCHMSA-N	1	1	354.450	4.373	1	5		FIBFMO
COCCC[NH+]1CCN(c2c3[nH]c4ccccc4c3nc3ccccc32)CC1	ZINC000095580260	132215778	/nfs/dbraw/zinc/21/57/78/132215778.db2.gz	GHXBAYZUGXXYIO-UHFFFAOYSA-N	1	1	374.488	4.028	1	5		FIBFMO
COc1cc2c3cc(F)ccc3c3c(c2cc1OC)C[N@@H+]1CCC[C@@H]1[C@@H]3O	ZINC000066252023	221242501	/nfs/dbraw/zinc/24/25/01/221242501.db2.gz	KWEFUARKIHCTFT-GCJKJVERSA-N	1	1	367.420	4.161	1	5		FIBFMO