smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1C	ZINC000192352903	532403624	/nfs/dbraw/zinc/40/36/24/532403624.db2.gz	PTRHOLISFMYNJY-NSHDSACASA-N	1	2	386.246	2.150	10	5		GEBELO
COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1C	ZINC000192352903	532403629	/nfs/dbraw/zinc/40/36/29/532403629.db2.gz	PTRHOLISFMYNJY-NSHDSACASA-N	1	2	386.246	2.150	10	5		GEBELO
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000183362987	532323956	/nfs/dbraw/zinc/32/39/56/532323956.db2.gz	NYGVQTUTEQOEFB-CYBMUJFWSA-N	1	2	385.873	2.273	10	5		GEBELO
O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000155207010	531664157	/nfs/dbraw/zinc/66/41/57/531664157.db2.gz	AERRREUCAILRMR-LBPRGKRZSA-N	1	2	399.245	2.296	10	5		GEBELO
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+]1CCOCC1	ZINC000173403731	532009258	/nfs/dbraw/zinc/00/92/58/532009258.db2.gz	KYKOSBFPDQVSIS-NHYWBVRUSA-N	1	2	398.257	2.150	10	5		GEBELO
C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1[NH+]1CCOCC1	ZINC000180577092	644508621	/nfs/dbraw/zinc/50/86/21/644508621.db2.gz	RTMNYMFOBMFWJW-RISCZKNCSA-N	1	2	398.257	2.150	10	5		GEBELO
CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@H](CNc3cccc[nH+]3)C2)s1	ZINC000129154135	532174141	/nfs/dbraw/zinc/17/41/41/532174141.db2.gz	JCXTVYYAHNCRCE-LLVKDONJSA-N	1	2	382.467	2.393	10	5		GEBELO
Cc1c(Br)cc(C(=O)N2CC[C@@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000125470046	532135900	/nfs/dbraw/zinc/13/59/00/532135900.db2.gz	RBQUBOTZAWPRRJ-CYBMUJFWSA-N	1	2	398.257	2.212	10	5		GEBELO
C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@@H]1[NH+]1CCOCC1	ZINC000180577114	644508734	/nfs/dbraw/zinc/50/87/34/644508734.db2.gz	RTMNYMFOBMFWJW-FZMZJTMJSA-N	1	2	398.257	2.150	10	5		GEBELO
CN(C[C@@H]1C[N@H+](C)CCO1)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000899160285	654002000	/nfs/dbraw/zinc/00/20/00/654002000.db2.gz	MIOKYXUYBIRLCI-QMMMGPOBSA-N	1	2	380.203	2.443	10	5		GEBELO
CN(C[C@@H]1C[N@@H+](C)CCO1)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000899160285	654002004	/nfs/dbraw/zinc/00/20/04/654002004.db2.gz	MIOKYXUYBIRLCI-QMMMGPOBSA-N	1	2	380.203	2.443	10	5		GEBELO
C[C@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+]1CCOCC1	ZINC000173403757	532009533	/nfs/dbraw/zinc/00/95/33/532009533.db2.gz	KYKOSBFPDQVSIS-XHDPSFHLSA-N	1	2	398.257	2.150	10	5		GEBELO
C[C@@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1[NH+]1CCOCC1	ZINC000180577131	644508859	/nfs/dbraw/zinc/50/88/59/644508859.db2.gz	RTMNYMFOBMFWJW-BXUZGUMPSA-N	1	2	398.257	2.150	10	5		GEBELO
Cc1cc([N+](=O)[O-])cc(C)c1C(=O)NCC[NH+]1CCN(c2ccccn2)CC1	ZINC000001847073	206291491	/nfs/dbraw/zinc/29/14/91/206291491.db2.gz	AAVUMNWPWJEXJC-UHFFFAOYSA-N	1	2	383.452	2.159	10	5		GEBELO
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@@H]1[NH+]1CCOCC1	ZINC000173403720	532009874	/nfs/dbraw/zinc/00/98/74/532009874.db2.gz	KYKOSBFPDQVSIS-ABAIWWIYSA-N	1	2	398.257	2.150	10	5		GEBELO
COCC[N@@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1C	ZINC000192352898	532403329	/nfs/dbraw/zinc/40/33/29/532403329.db2.gz	PTRHOLISFMYNJY-LLVKDONJSA-N	1	2	386.246	2.150	10	5		GEBELO
COCC[N@H+]1CCN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1C	ZINC000192352898	532403332	/nfs/dbraw/zinc/40/33/32/532403332.db2.gz	PTRHOLISFMYNJY-LLVKDONJSA-N	1	2	386.246	2.150	10	5		GEBELO
CS(=O)(=O)c1cc([N+](=O)[O-])c(N2CC[C@@H](CNc3cccc[nH+]3)C2)s1	ZINC000129154367	532174105	/nfs/dbraw/zinc/17/41/05/532174105.db2.gz	JCXTVYYAHNCRCE-NSHDSACASA-N	1	2	382.467	2.393	10	5		GEBELO
C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1	ZINC000122754736	532083090	/nfs/dbraw/zinc/08/30/90/532083090.db2.gz	NQXNZHBXGNFYLI-XHDPSFHLSA-N	1	2	398.257	2.150	10	5		GEBELO
O=C(CSc1ccc(Cl)cc1[N+](=O)[O-])N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000183362972	532324116	/nfs/dbraw/zinc/32/41/16/532324116.db2.gz	NYGVQTUTEQOEFB-ZDUSSCGKSA-N	1	2	385.873	2.273	10	5		GEBELO
CN(C[C@H]1C[N@H+](C)CCO1)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000899160284	654002027	/nfs/dbraw/zinc/00/20/27/654002027.db2.gz	MIOKYXUYBIRLCI-MRVPVSSYSA-N	1	2	380.203	2.443	10	5		GEBELO
CN(C[C@H]1C[N@@H+](C)CCO1)C(=O)c1cc(F)c(Cl)c([N+](=O)[O-])c1Cl	ZINC000899160284	654002029	/nfs/dbraw/zinc/00/20/29/654002029.db2.gz	MIOKYXUYBIRLCI-MRVPVSSYSA-N	1	2	380.203	2.443	10	5		GEBELO
O=C(Nc1ccc(Br)c([N+](=O)[O-])c1)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000155207105	531664698	/nfs/dbraw/zinc/66/46/98/531664698.db2.gz	AERRREUCAILRMR-GFCCVEGCSA-N	1	2	399.245	2.296	10	5		GEBELO
C[N@@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1	ZINC000151850486	643956880	/nfs/dbraw/zinc/95/68/80/643956880.db2.gz	VEAJBQRNXGVHLE-SECBINFHSA-N	1	2	392.637	2.071	10	5		GEBELO
C[N@H+]1CCO[C@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1	ZINC000151850486	643956881	/nfs/dbraw/zinc/95/68/81/643956881.db2.gz	VEAJBQRNXGVHLE-SECBINFHSA-N	1	2	392.637	2.071	10	5		GEBELO
C[C@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1	ZINC000122754315	532082488	/nfs/dbraw/zinc/08/24/88/532082488.db2.gz	NQXNZHBXGNFYLI-NHYWBVRUSA-N	1	2	398.257	2.150	10	5		GEBELO
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])cc2Br)C[C@H]1[NH+]1CCOCC1	ZINC000173403743	532009770	/nfs/dbraw/zinc/00/97/70/532009770.db2.gz	KYKOSBFPDQVSIS-IAQYHMDHSA-N	1	2	398.257	2.150	10	5		GEBELO
O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Cl	ZINC000016093627	136201982	/nfs/dbraw/zinc/20/19/82/136201982.db2.gz	KBIMMXAODSAVHG-UHFFFAOYSA-N	1	2	382.829	2.154	10	5		GEBELO
C[C@@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCOCC1	ZINC000155182683	531662133	/nfs/dbraw/zinc/66/21/33/531662133.db2.gz	FVRIOTTXFPPHEI-JTQLQIEISA-N	1	2	387.234	2.200	10	5		GEBELO
C[C@H](CNC(=O)Nc1ccc(Br)c([N+](=O)[O-])c1)[NH+]1CCOCC1	ZINC000155182783	531662163	/nfs/dbraw/zinc/66/21/63/531662163.db2.gz	FVRIOTTXFPPHEI-SNVBAGLBSA-N	1	2	387.234	2.200	10	5		GEBELO
C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@H]1[NH+]1CCOCC1	ZINC000122754508	532083105	/nfs/dbraw/zinc/08/31/05/532083105.db2.gz	NQXNZHBXGNFYLI-IAQYHMDHSA-N	1	2	398.257	2.150	10	5		GEBELO
C[C@H]1CN(C(=O)c2cccc([N+](=O)[O-])c2Br)C[C@H]1[NH+]1CCOCC1	ZINC000180577150	644508593	/nfs/dbraw/zinc/50/85/93/644508593.db2.gz	RTMNYMFOBMFWJW-SMDDNHRTSA-N	1	2	398.257	2.150	10	5		GEBELO
Cc1c(Br)cc(C(=O)N2CC[C@H]([NH+]3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000125469828	532136282	/nfs/dbraw/zinc/13/62/82/532136282.db2.gz	RBQUBOTZAWPRRJ-ZDUSSCGKSA-N	1	2	398.257	2.212	10	5		GEBELO
C[C@@H]1CN(C(=O)c2cc(Br)cc([N+](=O)[O-])c2)C[C@@H]1[NH+]1CCOCC1	ZINC000122754153	532081955	/nfs/dbraw/zinc/08/19/55/532081955.db2.gz	NQXNZHBXGNFYLI-ABAIWWIYSA-N	1	2	398.257	2.150	10	5		GEBELO
NC(=O)c1cc([N+](=O)[O-])cnc1NCc1cn2cc(Br)ccc2[nH+]1	ZINC000301116882	532740641	/nfs/dbraw/zinc/74/06/41/532740641.db2.gz	YWGSAEYCOQIVIX-UHFFFAOYSA-N	1	2	391.185	2.111	10	5		GEBELO
C[N@@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1	ZINC000151850566	643956943	/nfs/dbraw/zinc/95/69/43/643956943.db2.gz	VEAJBQRNXGVHLE-VIFPVBQESA-N	1	2	392.637	2.071	10	5		GEBELO
C[N@H+]1CCO[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1	ZINC000151850566	643956948	/nfs/dbraw/zinc/95/69/48/643956948.db2.gz	VEAJBQRNXGVHLE-VIFPVBQESA-N	1	2	392.637	2.071	10	5		GEBELO