smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccccc1CN1CC[C@H](Nc2cccc3cnccc32)C1	ZINC000038695581	202210086	/nfs/dbraw/zinc/21/00/86/202210086.db2.gz	YSOITSFXGVFBLZ-KRWDZBQOSA-N	0	3	348.406	3.829	10	5		EHBEHN
C[C@H](CNc1ccc(Br)cc1[N+](=O)[O-])N1CCCCC1	ZINC000038029377	202090018	/nfs/dbraw/zinc/09/00/18/202090018.db2.gz	QUXCZAXTLUEYLG-LLVKDONJSA-N	0	3	342.237	3.644	10	5		EHBEHN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(Cc2nccn2C)CC1	ZINC000182755281	1019742169	/nfs/dbraw/zinc/74/21/69/1019742169.db2.gz	KCUNXLKVACXFKF-HNNXBMFYSA-N	0	3	342.443	3.652	10	5		EHBEHN
Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@@H]1C[C@@H](O)c1ccco1	ZINC000248642295	1025777221	/nfs/dbraw/zinc/77/72/21/1025777221.db2.gz	RNZVXZWIFKYFJD-NVXWUHKLSA-N	0	3	330.384	3.584	10	5		EHBEHN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCCN(c2ccccn2)CC1	ZINC000183779472	1029446251	/nfs/dbraw/zinc/44/62/51/1029446251.db2.gz	BXKJHYSQZDBOOJ-MRXNPFEDSA-N	0	3	340.427	3.572	10	5		EHBEHN
O=[N+]([O-])c1cccc(CN2CC[C@@H](Nc3cccc4cnccc43)C2)c1	ZINC000038618691	213217157	/nfs/dbraw/zinc/21/71/57/213217157.db2.gz	NRZLHOPHZOTRCX-QGZVFWFLSA-N	0	3	348.406	3.829	10	5		EHBEHN
C[C@@H](CNc1ccc(Br)cc1[N+](=O)[O-])N1CCCCC1	ZINC000038029376	213193350	/nfs/dbraw/zinc/19/33/50/213193350.db2.gz	QUXCZAXTLUEYLG-NSHDSACASA-N	0	3	342.237	3.644	10	5		EHBEHN
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc(CN(C)C)c1	ZINC000588436573	1022266400	/nfs/dbraw/zinc/26/64/00/1022266400.db2.gz	CLFMSKSNDXNURG-KAMYIIQDSA-N	0	3	339.395	3.698	10	5		EHBEHN
CN[C@H](Cc1ccccc1[N+](=O)[O-])c1sccc1Br	ZINC000104294055	219372055	/nfs/dbraw/zinc/37/20/55/219372055.db2.gz	GFQZKRMBFZJTDQ-LLVKDONJSA-N	0	3	341.230	3.922	10	5		EHBEHN
O=[N+]([O-])c1cccc(CN2CC[C@H](Nc3cccc4cnccc43)C2)c1	ZINC000038618689	213217349	/nfs/dbraw/zinc/21/73/49/213217349.db2.gz	NRZLHOPHZOTRCX-KRWDZBQOSA-N	0	3	348.406	3.829	10	5		EHBEHN
O=[N+]([O-])c1ccc(CN2CC[C@H](Nc3cccc4cnccc43)C2)cc1	ZINC000038827144	213227180	/nfs/dbraw/zinc/22/71/80/213227180.db2.gz	ZONRCZLRRHTANM-KRWDZBQOSA-N	0	3	348.406	3.829	10	5		EHBEHN
O=C(c1cc2ccccc2c2cccnc12)N1CCCN(C2CC2)CC1	ZINC000061604350	1028431993	/nfs/dbraw/zinc/43/19/93/1028431993.db2.gz	JZVUGGNRKCTJQN-UHFFFAOYSA-N	0	3	345.446	3.698	10	5		EHBEHN
N[C@@H]1CN(Cc2ccc(Cl)c(Cl)c2)c2ccc([N+](=O)[O-])cc21	ZINC000019795942	212069109	/nfs/dbraw/zinc/06/91/09/212069109.db2.gz	DIXNEEOBCMICPK-CQSZACIVSA-N	0	3	338.194	3.922	10	5		EHBEHN
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCCN(c2ccccn2)CC1	ZINC000183779490	1029446150	/nfs/dbraw/zinc/44/61/50/1029446150.db2.gz	BXKJHYSQZDBOOJ-INIZCTEOSA-N	0	3	340.427	3.572	10	5		EHBEHN
Cc1cc([N+](=O)[O-])ccc1CN1CCC[C@H]1C[C@@H](O)c1ccco1	ZINC000248642290	1025777090	/nfs/dbraw/zinc/77/70/90/1025777090.db2.gz	RNZVXZWIFKYFJD-DOTOQJQBSA-N	0	3	330.384	3.584	10	5		EHBEHN
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(Cc2nccn2C)CC1	ZINC000182755263	1019742539	/nfs/dbraw/zinc/74/25/39/1019742539.db2.gz	KCUNXLKVACXFKF-OAHLLOKOSA-N	0	3	342.443	3.652	10	5		EHBEHN
CN[C@@H](Cc1ccccc1[N+](=O)[O-])c1sccc1Br	ZINC000104294051	219371902	/nfs/dbraw/zinc/37/19/02/219371902.db2.gz	GFQZKRMBFZJTDQ-NSHDSACASA-N	0	3	341.230	3.922	10	5		EHBEHN
O=[N+]([O-])c1ccccc1CN1CC[C@@H](Nc2cccc3cnccc32)C1	ZINC000038695583	213221053	/nfs/dbraw/zinc/22/10/53/213221053.db2.gz	YSOITSFXGVFBLZ-QGZVFWFLSA-N	0	3	348.406	3.829	10	5		EHBEHN
N[C@H]1CN(Cc2ccc(Cl)c(Cl)c2)c2ccc([N+](=O)[O-])cc21	ZINC000019795945	212068790	/nfs/dbraw/zinc/06/87/90/212068790.db2.gz	DIXNEEOBCMICPK-AWEZNQCLSA-N	0	3	338.194	3.922	10	5		EHBEHN
O=C1C[C@@H](c2ccccc2Cl)C([N+](=O)[O-])CN1c1ccccc1	ZINC000098091254	219082994	/nfs/dbraw/zinc/08/29/94/219082994.db2.gz	CDRCLCJESMSWIR-GOEBONIOSA-N	0	3	330.771	3.506	10	5		EHBEHN
O=[N+]([O-])c1ccc(CN2CC[C@@H](Nc3cccc4cnccc43)C2)cc1	ZINC000038827143	213226865	/nfs/dbraw/zinc/22/68/65/213226865.db2.gz	ZONRCZLRRHTANM-QGZVFWFLSA-N	0	3	348.406	3.829	10	5		EHBEHN
O=C1C[C@H](c2ccccc2Cl)C([N+](=O)[O-])CN1c1ccccc1	ZINC000060248482	132804535	/nfs/dbraw/zinc/80/45/35/132804535.db2.gz	CDRCLCJESMSWIR-ZBFHGGJFSA-N	0	3	330.771	3.506	10	5		EHBEHN
O=C1C[C@H](c2ccccc2Cl)C([N+](=O)[O-])CN1c1ccccc1	ZINC000098091255	219083443	/nfs/dbraw/zinc/08/34/43/219083443.db2.gz	CDRCLCJESMSWIR-GDBMZVCRSA-N	0	3	330.771	3.506	10	5		EHBEHN