smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2F)CC1	ZINC000020155072	204704328	/nfs/dbraw/zinc/70/43/28/204704328.db2.gz	ARHRPBJXZBIHQU-UHFFFAOYSA-N	0	1	397.410	2.180	10	5		GEBEMN
C[C@@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nnc2n1CCCC2	ZINC000121773266	532046843	/nfs/dbraw/zinc/04/68/43/532046843.db2.gz	KJWKKZHWGGEXDQ-SECBINFHSA-N	0	1	385.833	2.216	10	5		GEBEMN
CCc1nc([C@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000131688423	532202152	/nfs/dbraw/zinc/20/21/52/532202152.db2.gz	RSABVCIUBQOFID-SNVBAGLBSA-N	0	1	383.206	2.011	10	5		GEBEMN
COCCOC(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000005729289	204149227	/nfs/dbraw/zinc/14/92/27/204149227.db2.gz	OJTIFASBBUFWFF-UHFFFAOYSA-N	0	1	380.378	2.199	10	5		GEBEMN
CNC(=O)CN1CCC(CN(C)c2cc(Br)ccc2[N+](=O)[O-])CC1	ZINC000301655405	532756742	/nfs/dbraw/zinc/75/67/42/532756742.db2.gz	HOHMMYQUYCSLBJ-UHFFFAOYSA-N	0	1	399.289	2.252	10	5		GEBEMN
CCN(C)[C@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000302788566	532773435	/nfs/dbraw/zinc/77/34/35/532773435.db2.gz	XNHWFYMDCBTDOJ-JTQLQIEISA-N	0	1	381.376	2.419	10	5		GEBEMN
C[N@H+](CC(=O)[O-])C[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1	ZINC000263480950	645666155	/nfs/dbraw/zinc/66/61/55/645666155.db2.gz	GGCGUWHKIBCIET-GFCCVEGCSA-N	0	1	392.239	2.119	10	5		GEBEMN
CCc1nc2n(n1)CCC[C@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000157048325	644127860	/nfs/dbraw/zinc/12/78/60/644127860.db2.gz	GCNJPYLSEALSIQ-SNVBAGLBSA-N	0	1	385.833	2.216	10	5		GEBEMN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2n[nH]c(C(=O)N3CCCCC3)c2C1	ZINC000034809872	570801259	/nfs/dbraw/zinc/80/12/59/570801259.db2.gz	QTFYCCSQZLFEFR-UHFFFAOYSA-N	0	1	397.435	2.071	10	5		GEBEMN
O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2c(Br)cncc2[N+](=O)[O-])C1	ZINC000263548278	532630309	/nfs/dbraw/zinc/63/03/09/532630309.db2.gz	IVMGMZWKADQSBK-UHFFFAOYSA-N	0	1	399.245	2.492	10	5		GEBEMN
N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013520805	206294833	/nfs/dbraw/zinc/29/48/33/206294833.db2.gz	UAAHZYVVVQNAPU-ROUUACIJSA-N	0	1	382.420	2.094	10	5		GEBEMN
O=C(CSc1n[nH]c2nc3nc4ccccc4c-3nn21)NCc1ccco1	ZINC000005948894	570462582	/nfs/dbraw/zinc/46/25/82/570462582.db2.gz	QYOLDMPSBPOXCA-UHFFFAOYSA-N	0	1	379.405	2.155	10	5		GEBEMN
CCc1nc([C@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CCO2)n[nH]1	ZINC000131548986	532198855	/nfs/dbraw/zinc/19/88/55/532198855.db2.gz	QJBZRJNEOTVEKJ-SNVBAGLBSA-N	0	1	383.206	2.011	10	5		GEBEMN
CCc1nc2n(n1)CCC[C@@H]2NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000157048173	644127924	/nfs/dbraw/zinc/12/79/24/644127924.db2.gz	GCNJPYLSEALSIQ-JTQLQIEISA-N	0	1	385.833	2.216	10	5		GEBEMN
CCc1nc([C@@H]2CN(c3ncc([N+](=O)[O-])cc3Br)CCO2)n[nH]1	ZINC000131548786	532199149	/nfs/dbraw/zinc/19/91/49/532199149.db2.gz	QJBZRJNEOTVEKJ-JTQLQIEISA-N	0	1	383.206	2.011	10	5		GEBEMN
O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ncc(Br)cc2[N+](=O)[O-])C1	ZINC000263549870	532630538	/nfs/dbraw/zinc/63/05/38/532630538.db2.gz	JYNUJHASJWQZNJ-UHFFFAOYSA-N	0	1	399.245	2.492	10	5		GEBEMN
COc1cccc(N2CCN(CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000029489881	209245114	/nfs/dbraw/zinc/24/51/14/209245114.db2.gz	FIWCSWUYRHJTIP-UHFFFAOYSA-N	0	1	385.424	2.149	10	5		GEBEMN
CCN(C)[C@@H]1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2[N+](=O)[O-])C1	ZINC000302788568	532773991	/nfs/dbraw/zinc/77/39/91/532773991.db2.gz	XNHWFYMDCBTDOJ-SNVBAGLBSA-N	0	1	381.376	2.419	10	5		GEBEMN
COC(=O)C[C@H](NC(=O)c1n[nH]cc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000138234281	532291185	/nfs/dbraw/zinc/29/11/85/532291185.db2.gz	RJSXYYTXMGORAA-JTQLQIEISA-N	0	1	397.185	2.115	10	5		GEBEMN
CC[N@@H+](CC(=O)[O-])C1CC(Nc2ncc([N+](=O)[O-])c(C)c2Br)C1	ZINC000263550108	532630452	/nfs/dbraw/zinc/63/04/52/532630452.db2.gz	KBSYXYAGGGFWPO-UHFFFAOYSA-N	0	1	387.234	2.410	10	5		GEBEMN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN3CCC[C@H]3C2)c(C(F)(F)F)c1	ZINC000246301840	532537019	/nfs/dbraw/zinc/53/70/19/532537019.db2.gz	ANHYONNEEYYMHP-NSHDSACASA-N	0	1	379.360	2.082	10	5		GEBEMN
CNC(=O)CN1CCC(CN(C)c2ccc(Br)cc2[N+](=O)[O-])CC1	ZINC000301354056	532749628	/nfs/dbraw/zinc/74/96/28/532749628.db2.gz	KEUNIPNERVUTGM-UHFFFAOYSA-N	0	1	399.289	2.252	10	5		GEBEMN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN3CCC[C@@H]3C2)c(C(F)(F)F)c1	ZINC000179034529	644449401	/nfs/dbraw/zinc/44/94/01/644449401.db2.gz	ANHYONNEEYYMHP-LLVKDONJSA-N	0	1	379.360	2.082	10	5		GEBEMN
O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2ncc([N+](=O)[O-])cc2Br)C1	ZINC000263542239	645668686	/nfs/dbraw/zinc/66/86/86/645668686.db2.gz	DQNXXVWSMMXVMD-UHFFFAOYSA-N	0	1	399.245	2.492	10	5		GEBEMN
CCc1nc([C@@H]2CN(c3ncc(Br)cc3[N+](=O)[O-])CCO2)n[nH]1	ZINC000131688204	532202342	/nfs/dbraw/zinc/20/23/42/532202342.db2.gz	RSABVCIUBQOFID-JTQLQIEISA-N	0	1	383.206	2.011	10	5		GEBEMN
C[C@H](NS(=O)(=O)c1c(Cl)cccc1[N+](=O)[O-])c1nnc2n1CCCC2	ZINC000121773107	532047057	/nfs/dbraw/zinc/04/70/57/532047057.db2.gz	KJWKKZHWGGEXDQ-VIFPVBQESA-N	0	1	385.833	2.216	10	5		GEBEMN
C[N@H+](CC(=O)[O-])C[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CCO1	ZINC000263480955	645666202	/nfs/dbraw/zinc/66/62/02/645666202.db2.gz	GGCGUWHKIBCIET-LBPRGKRZSA-N	0	1	392.239	2.119	10	5		GEBEMN