smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000106124330	543204880	/nfs/dbraw/zinc/20/48/80/543204880.db2.gz	NDXGJIDAUJNEAR-MRXNPFEDSA-N	2	1	365.474	2.388	10	5		FEBEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH+]1	ZINC000171650871	327151673	/nfs/dbraw/zinc/15/16/73/327151673.db2.gz	XGPJJSCAEOGLNQ-AWEZNQCLSA-N	2	1	369.425	2.331	10	5		FEBEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000193903212	548404467	/nfs/dbraw/zinc/40/44/67/548404467.db2.gz	BUJUWFSWSFQOJX-ZDUSSCGKSA-N	2	1	366.418	2.028	10	5		FEBEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000245907356	549016287	/nfs/dbraw/zinc/01/62/87/549016287.db2.gz	CPNVEEUXCHABQN-ROUUACIJSA-N	2	1	369.425	2.370	10	5		FEBEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000245907356	549016288	/nfs/dbraw/zinc/01/62/88/549016288.db2.gz	CPNVEEUXCHABQN-ROUUACIJSA-N	2	1	369.425	2.370	10	5		FEBEMP
O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)ccc1Oc1ccc(F)cc1	ZINC000263258785	328928782	/nfs/dbraw/zinc/92/87/82/328928782.db2.gz	QROCCZKXJLEZBN-SUMWQHHRSA-N	2	1	361.373	2.196	10	5		FEBEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000245907349	549016222	/nfs/dbraw/zinc/01/62/22/549016222.db2.gz	CPNVEEUXCHABQN-MSOLQXFVSA-N	2	1	369.425	2.370	10	5		FEBEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000245907349	549016224	/nfs/dbraw/zinc/01/62/24/549016224.db2.gz	CPNVEEUXCHABQN-MSOLQXFVSA-N	2	1	369.425	2.370	10	5		FEBEMP
COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1[N+](=O)[O-]	ZINC000106124798	543204743	/nfs/dbraw/zinc/20/47/43/543204743.db2.gz	NQBQXSJJXPVUFO-AWEZNQCLSA-N	2	1	351.447	2.128	10	5		FEBEMP
Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)[nH+]1	ZINC000171650876	327151650	/nfs/dbraw/zinc/15/16/50/327151650.db2.gz	XGPJJSCAEOGLNQ-CQSZACIVSA-N	2	1	369.425	2.331	10	5		FEBEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000177055434	546533305	/nfs/dbraw/zinc/53/33/05/546533305.db2.gz	QHIAULKXWDJJHT-ZDUSSCGKSA-N	2	1	362.430	2.261	10	5		FEBEMP
COc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c([N+](=O)[O-])cc1F	ZINC000184202399	547785401	/nfs/dbraw/zinc/78/54/01/547785401.db2.gz	JMNHMUNCZLVPFN-ZDUSSCGKSA-N	2	1	369.437	2.267	10	5		FEBEMP
O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)ccc1Oc1ccc(F)cc1	ZINC000263258781	549889530	/nfs/dbraw/zinc/88/95/30/549889530.db2.gz	QROCCZKXJLEZBN-DYVFJYSZSA-N	2	1	361.373	2.196	10	5		FEBEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCOc2ccc([N+](=O)[O-])cc2)CC1	ZINC000106124325	543204817	/nfs/dbraw/zinc/20/48/17/543204817.db2.gz	NDXGJIDAUJNEAR-INIZCTEOSA-N	2	1	365.474	2.388	10	5		FEBEMP
CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-]	ZINC000262075746	328840084	/nfs/dbraw/zinc/84/00/84/328840084.db2.gz	DFPDOBKBPSEUOO-BEFAXECRSA-N	2	1	356.426	2.033	10	5		FEBEMP
CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-]	ZINC000262075748	549785883	/nfs/dbraw/zinc/78/58/83/549785883.db2.gz	DFPDOBKBPSEUOO-HNAYVOBHSA-N	2	1	356.426	2.033	10	5		FEBEMP
COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1[N+](=O)[O-]	ZINC000106124803	543204343	/nfs/dbraw/zinc/20/43/43/543204343.db2.gz	NQBQXSJJXPVUFO-CQSZACIVSA-N	2	1	351.447	2.128	10	5		FEBEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000154541458	544918871	/nfs/dbraw/zinc/91/88/71/544918871.db2.gz	CPNVEEUXCHABQN-QZTJIDSGSA-N	2	1	369.425	2.370	10	5		FEBEMP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000154541458	544918876	/nfs/dbraw/zinc/91/88/76/544918876.db2.gz	CPNVEEUXCHABQN-QZTJIDSGSA-N	2	1	369.425	2.370	10	5		FEBEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000177055447	546533577	/nfs/dbraw/zinc/53/35/77/546533577.db2.gz	QHIAULKXWDJJHT-CYBMUJFWSA-N	2	1	362.430	2.261	10	5		FEBEMP
COc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c([N+](=O)[O-])cc1F	ZINC000184202416	547785538	/nfs/dbraw/zinc/78/55/38/547785538.db2.gz	JMNHMUNCZLVPFN-CYBMUJFWSA-N	2	1	369.437	2.267	10	5		FEBEMP
O=[N+]([O-])c1cc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)ccc1Oc1ccc(F)cc1	ZINC000263258783	549889478	/nfs/dbraw/zinc/88/94/78/549889478.db2.gz	QROCCZKXJLEZBN-GUYCJALGSA-N	2	1	361.373	2.196	10	5		FEBEMP
CN(c1ccccc1)c1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1[N+](=O)[O-]	ZINC000262075747	328840245	/nfs/dbraw/zinc/84/02/45/328840245.db2.gz	DFPDOBKBPSEUOO-DNVCBOLYSA-N	2	1	356.426	2.033	10	5		FEBEMP
O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)ccc1Oc1ccc(F)cc1	ZINC000263258780	549889737	/nfs/dbraw/zinc/88/97/37/549889737.db2.gz	QROCCZKXJLEZBN-CXAGYDPISA-N	2	1	361.373	2.196	10	5		FEBEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000193903225	548404580	/nfs/dbraw/zinc/40/45/80/548404580.db2.gz	BUJUWFSWSFQOJX-CYBMUJFWSA-N	2	1	366.418	2.028	10	5		FEBEMP
CN(c1ccccc1)c1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1[N+](=O)[O-]	ZINC000262075749	549786092	/nfs/dbraw/zinc/78/60/92/549786092.db2.gz	DFPDOBKBPSEUOO-KXBFYZLASA-N	2	1	356.426	2.033	10	5		FEBEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000154541338	544919091	/nfs/dbraw/zinc/91/90/91/544919091.db2.gz	CPNVEEUXCHABQN-ZWKOTPCHSA-N	2	1	369.425	2.370	10	5		FEBEMP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000154541338	544919097	/nfs/dbraw/zinc/91/90/97/544919097.db2.gz	CPNVEEUXCHABQN-ZWKOTPCHSA-N	2	1	369.425	2.370	10	5		FEBEMP