smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N(C)C[C@H](O)CN2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000225505781	416327821	/nfs/dbraw/zinc/32/78/21/416327821.db2.gz	DBFMERHUOWXEOJ-AWEZNQCLSA-N	0	1	322.409	0.948	50	5		DCBAMN
C[C@@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000069929254	396095529	/nfs/dbraw/zinc/09/55/29/396095529.db2.gz	LTDVKONBBHGZKG-BXKDBHETSA-N	0	1	320.349	0.780	50	5		DCBAMN
O=C(CC1C(=O)Nc2ncnn21)Nc1ccc([N+](=O)[O-])cc1	ZINC000013734871	395688984	/nfs/dbraw/zinc/68/89/84/395688984.db2.gz	NTRGOHCGEGYDKY-SECBINFHSA-N	0	1	302.250	0.708	50	5		DCBAMN
O=[N+]([O-])c1ccc(NCCN[C@H]2CCS(=O)(=O)C2)nc1	ZINC000069535017	396082157	/nfs/dbraw/zinc/08/21/57/396082157.db2.gz	HECRXEGFQNTCQC-VIFPVBQESA-N	0	1	300.340	0.178	50	5		DCBAMN
CN1CCN(CC[C@H]2Oc3cc([N+](=O)[O-])ccc3NC2=O)CC1	ZINC000020405112	182214900	/nfs/dbraw/zinc/21/49/00/182214900.db2.gz	GBOHLOVZXPKZEE-CYBMUJFWSA-N	0	1	320.349	0.932	50	5		DCBAMN
Cn1[nH]cc2c(=NC[C@H](O)c3ccc([N+](=O)[O-])cc3)ncnc1-2	ZINC000885648231	667688588	/nfs/dbraw/zinc/68/85/88/667688588.db2.gz	HKGUSEYEGPBEQG-LBPRGKRZSA-N	0	1	314.305	0.791	50	5		DCBAMN
O=C(CC1C(=O)Nc2ncnn21)Nc1cccc([N+](=O)[O-])c1	ZINC000013691482	395688780	/nfs/dbraw/zinc/68/87/80/395688780.db2.gz	NKCGXSAOKNJFIP-VIFPVBQESA-N	0	1	302.250	0.708	50	5		DCBAMN
COc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc(OC)c1OC	ZINC000032932539	395714813	/nfs/dbraw/zinc/71/48/13/395714813.db2.gz	XJYFAMBMSSUIEC-NXEZZACHSA-N	0	1	310.306	0.994	50	5		DCBAMN
O=[N+]([O-])c1ccc(NCCN[C@@H]2CCS(=O)(=O)C2)c(F)c1	ZINC000069421168	396078204	/nfs/dbraw/zinc/07/82/04/396078204.db2.gz	WFWFZGAUKBBYAH-SECBINFHSA-N	0	1	317.342	0.923	50	5		DCBAMN
O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1CC1[N+](=O)[O-]	ZINC000067937753	396039791	/nfs/dbraw/zinc/03/97/91/396039791.db2.gz	QBNAXEZEDMHHJP-CAHLUQPWSA-N	0	1	302.084	0.741	50	5		DCBAMN
O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@H](O)c1cnc[nH]1	ZINC000952881296	768948235	/nfs/dbraw/zinc/94/82/35/768948235.db2.gz	GEQVSWIMKOCMCA-ZDUSSCGKSA-N	0	1	319.321	0.970	50	5		DCBAMN
COc1cc(CNC(=O)[C@@H]2CC2[N+](=O)[O-])cc(OC)c1OC	ZINC000032932537	395714720	/nfs/dbraw/zinc/71/47/20/395714720.db2.gz	XJYFAMBMSSUIEC-ZJUUUORDSA-N	0	1	310.306	0.994	50	5		DCBAMN
O=[N+]([O-])c1c(N2CCN(CCCO)CC2)nc2ccccn21	ZINC000058158892	395951466	/nfs/dbraw/zinc/95/14/66/395951466.db2.gz	TUKRMDHRRXSZQB-UHFFFAOYSA-N	0	1	305.338	0.747	50	5		DCBAMN
NC(=O)c1ccc(CSc2nc(N)cc(N)n2)c([N+](=O)[O-])c1	ZINC000009322525	395685359	/nfs/dbraw/zinc/68/53/59/395685359.db2.gz	BPECAYQUNRWKQN-UHFFFAOYSA-N	0	1	320.334	0.940	50	5		DCBAMN
O=C(CC1C(=O)Nc2ncnn21)Nc1ccc([N+](=O)[O-])cc1	ZINC000013734874	395689017	/nfs/dbraw/zinc/68/90/17/395689017.db2.gz	NTRGOHCGEGYDKY-VIFPVBQESA-N	0	1	302.250	0.708	50	5		DCBAMN
Cc1ccnc(N(C)C[C@H](O)CN2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000096406529	302268751	/nfs/dbraw/zinc/26/87/51/302268751.db2.gz	GCUPVDGLLCMQIB-ZDUSSCGKSA-N	0	1	323.397	0.343	50	5		DCBAMN
O=C(Nc1cc(Br)c[nH]c1=O)[C@H]1CC1[N+](=O)[O-]	ZINC000067937751	396039544	/nfs/dbraw/zinc/03/95/44/396039544.db2.gz	QBNAXEZEDMHHJP-FSPLSTOPSA-N	0	1	302.084	0.741	50	5		DCBAMN
O=C(CC1C(=O)Nc2ncnn21)Nc1cccc([N+](=O)[O-])c1	ZINC000013691481	395688820	/nfs/dbraw/zinc/68/88/20/395688820.db2.gz	NKCGXSAOKNJFIP-SECBINFHSA-N	0	1	302.250	0.708	50	5		DCBAMN
CN1CCN(CC[C@@H]2Oc3ccc([N+](=O)[O-])cc3NC2=O)CC1	ZINC000004395641	415131063	/nfs/dbraw/zinc/13/10/63/415131063.db2.gz	GGMLKVXNCVOXDQ-AWEZNQCLSA-N	0	1	320.349	0.932	50	5		DCBAMN
O=C(CCNc1ccccc1[N+](=O)[O-])NC[C@@H](O)c1cnc[nH]1	ZINC000952881282	768948035	/nfs/dbraw/zinc/94/80/35/768948035.db2.gz	GEQVSWIMKOCMCA-CYBMUJFWSA-N	0	1	319.321	0.970	50	5		DCBAMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@@H]1CCOCO1	ZINC000089768197	395714987	/nfs/dbraw/zinc/71/49/87/395714987.db2.gz	BENYGKSMGAIHOO-QMMMGPOBSA-N	0	1	320.298	0.775	50	5		DCBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2n[nH]c3c2C[NH2+]C3)cc1	ZINC000725374678	685320413	/nfs/dbraw/zinc/32/04/13/685320413.db2.gz	MYBVEWIVTUPXAM-UHFFFAOYSA-N	0	1	309.307	0.722	50	5		DCBAMN
CN1CCN(CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004134246	181077350	/nfs/dbraw/zinc/07/73/50/181077350.db2.gz	WBAYPTRFFMNBHX-UHFFFAOYSA-N	0	1	307.354	0.964	50	5		DCBAMN
COc1cc(CNC(=O)[C@H]2CC2[N+](=O)[O-])cc(OC)c1OC	ZINC000032932538	395714581	/nfs/dbraw/zinc/71/45/81/395714581.db2.gz	XJYFAMBMSSUIEC-UWVGGRQHSA-N	0	1	310.306	0.994	50	5		DCBAMN
O=C(CC1C(=O)Nc2ncnn21)Nc1ccccc1[N+](=O)[O-]	ZINC000020715756	182243032	/nfs/dbraw/zinc/24/30/32/182243032.db2.gz	TUZZKIFBHBHDSN-SECBINFHSA-N	0	1	302.250	0.708	50	5		DCBAMN
O=C(Nc1cc(Br)c[nH]c1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000067937752	396039527	/nfs/dbraw/zinc/03/95/27/396039527.db2.gz	QBNAXEZEDMHHJP-IYSWYEEDSA-N	0	1	302.084	0.741	50	5		DCBAMN
O=[N+]([O-])c1ccc(N[C@H]2CCN(CCn3cncn3)C2)nc1	ZINC000072665279	191212030	/nfs/dbraw/zinc/21/20/30/191212030.db2.gz	VLMHMCJPPOMFDR-NSHDSACASA-N	0	1	303.326	0.768	50	5		DCBAMN
COc1cc(CNC(=O)[C@H]2CC2[N+](=O)[O-])cc(OC)c1OC	ZINC000032932540	395714704	/nfs/dbraw/zinc/71/47/04/395714704.db2.gz	XJYFAMBMSSUIEC-VHSXEESVSA-N	0	1	310.306	0.994	50	5		DCBAMN
CN(C[C@@H](O)CN1CCN(C)CC1)c1ccccc1[N+](=O)[O-]	ZINC000071893782	396123784	/nfs/dbraw/zinc/12/37/84/396123784.db2.gz	DEDGGCZKNCMOTB-CYBMUJFWSA-N	0	1	308.382	0.639	50	5		DCBAMN
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)NC[C@H]1CCOCO1	ZINC000089768198	395714740	/nfs/dbraw/zinc/71/47/40/395714740.db2.gz	BENYGKSMGAIHOO-MRVPVSSYSA-N	0	1	320.298	0.775	50	5		DCBAMN
COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1n[nH]c(CO)n1	ZINC000585132637	396640757	/nfs/dbraw/zinc/64/07/57/396640757.db2.gz	HXCGVRGXMCXCNB-UHFFFAOYSA-N	0	1	321.293	0.912	50	5		DCBAMN
COC(=O)c1cc([N+](=O)[O-])c(C)cc1NCc1nnc(CO)[nH]1	ZINC000585132637	396640759	/nfs/dbraw/zinc/64/07/59/396640759.db2.gz	HXCGVRGXMCXCNB-UHFFFAOYSA-N	0	1	321.293	0.912	50	5		DCBAMN
O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1Cl	ZINC000052820254	395870446	/nfs/dbraw/zinc/87/04/46/395870446.db2.gz	NXVIARMFVJXGIC-MWLCHTKSSA-N	0	1	311.725	0.851	50	5		DCBAMN
CN(C[C@@H](O)CN1CCN(C)CC1)c1ncccc1[N+](=O)[O-]	ZINC000071893786	396123508	/nfs/dbraw/zinc/12/35/08/396123508.db2.gz	AJKVBAGLVRIDQC-GFCCVEGCSA-N	0	1	309.370	0.034	50	5		DCBAMN
O=[N+]([O-])c1ccc(NCCN[C@H]2CCS(=O)(=O)C2)c(F)c1	ZINC000069421170	396078296	/nfs/dbraw/zinc/07/82/96/396078296.db2.gz	WFWFZGAUKBBYAH-VIFPVBQESA-N	0	1	317.342	0.923	50	5		DCBAMN
Cc1ccc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1NS(C)(=O)=O	ZINC000065478505	184352365	/nfs/dbraw/zinc/35/23/65/184352365.db2.gz	HRUPVDOICHDFDF-MWLCHTKSSA-N	0	1	313.335	0.970	50	5		DCBAMN
Cc1nn(CCNC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1[N+](=O)[O-]	ZINC000013959860	395688949	/nfs/dbraw/zinc/68/89/49/395688949.db2.gz	VSSAJRPWNQDNDW-UHFFFAOYSA-N	0	1	323.269	0.469	50	5		DCBAMN
CCNc1ccc(S(=O)(=O)NCCN(C)C)cc1[N+](=O)[O-]	ZINC000005637579	181267192	/nfs/dbraw/zinc/26/71/92/181267192.db2.gz	RROQODCMZSASRX-UHFFFAOYSA-N	0	1	316.383	0.867	50	5		DCBAMN
O=C(CCNc1ccc([N+](=O)[O-])cn1)NCCc1cnc[nH]1	ZINC000013735904	395689001	/nfs/dbraw/zinc/68/90/01/395689001.db2.gz	LSFRDQVOWGDURO-UHFFFAOYSA-N	0	1	304.310	0.874	50	5		DCBAMN
Cc1ccc(CNC(=O)Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)cc1	ZINC000073966824	396154232	/nfs/dbraw/zinc/15/42/32/396154232.db2.gz	NMBZPUGKFAMJJY-UHFFFAOYSA-N	0	1	318.289	0.482	50	5		DCBAMN
Cc1cccc(N(C)C[C@@H](O)CN2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000225505812	416327777	/nfs/dbraw/zinc/32/77/77/416327777.db2.gz	DBFMERHUOWXEOJ-CQSZACIVSA-N	0	1	322.409	0.948	50	5		DCBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)C[C@H]1c1ccccc1	ZINC000240912257	296073535	/nfs/dbraw/zinc/07/35/35/296073535.db2.gz	IWWVQVGJSHQBEW-UPJWGTAASA-N	0	1	324.358	0.650	50	5		DCBAMN
CN1CC[NH+](CCCNC(=O)c2cc([N+](=O)[O-])ccc2N)CC1	ZINC000195566532	416326759	/nfs/dbraw/zinc/32/67/59/416326759.db2.gz	VXWBGDHCRWGDHW-UHFFFAOYSA-N	0	1	321.381	0.544	50	5		DCBAMN
Cn1[nH]cc2c(=NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)ncnc1-2	ZINC000885648230	667688312	/nfs/dbraw/zinc/68/83/12/667688312.db2.gz	HKGUSEYEGPBEQG-GFCCVEGCSA-N	0	1	314.305	0.791	50	5		DCBAMN
O=[N+]([O-])c1ccc(NCCN[C@@H]2CCS(=O)(=O)C2)nc1	ZINC000069535016	396082112	/nfs/dbraw/zinc/08/21/12/396082112.db2.gz	HECRXEGFQNTCQC-SECBINFHSA-N	0	1	300.340	0.178	50	5		DCBAMN
CN(C)CC(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000065625288	276776423	/nfs/dbraw/zinc/77/64/23/276776423.db2.gz	ODSLMSWKPBWXKF-UHFFFAOYSA-N	0	1	310.329	0.944	50	5		DCBAMN
O=C(NCCNC(=O)[C@H]1CC1[N+](=O)[O-])c1ccccc1Cl	ZINC000052820253	395870079	/nfs/dbraw/zinc/87/00/79/395870079.db2.gz	NXVIARMFVJXGIC-ONGXEEELSA-N	0	1	311.725	0.851	50	5		DCBAMN
CN(C[C@H](O)CN1CCN(C)CC1)c1ncccc1[N+](=O)[O-]	ZINC000071893787	396123877	/nfs/dbraw/zinc/12/38/77/396123877.db2.gz	AJKVBAGLVRIDQC-LBPRGKRZSA-N	0	1	309.370	0.034	50	5		DCBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)C[C@@H]1c1ccccc1	ZINC000106930837	415656265	/nfs/dbraw/zinc/65/62/65/415656265.db2.gz	IWWVQVGJSHQBEW-JHJVBQTASA-N	0	1	324.358	0.650	50	5		DCBAMN
COc1ccc(NC(=O)Cn2cc([N+](=O)[O-])c(=O)[nH]c2=O)cc1	ZINC000069848341	396092123	/nfs/dbraw/zinc/09/21/23/396092123.db2.gz	MVOXVQHPZXHUOK-UHFFFAOYSA-N	0	1	320.261	0.092	50	5		DCBAMN
CN1CCN(CC[C@H]2Oc3ccc([N+](=O)[O-])cc3NC2=O)CC1	ZINC000020405099	415153419	/nfs/dbraw/zinc/15/34/19/415153419.db2.gz	GGMLKVXNCVOXDQ-CQSZACIVSA-N	0	1	320.349	0.932	50	5		DCBAMN
C[C@@H]1CC[C@H](C(N)=O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000069929248	415406802	/nfs/dbraw/zinc/40/68/02/415406802.db2.gz	LTDVKONBBHGZKG-SKDRFNHKSA-N	0	1	320.349	0.780	50	5		DCBAMN
[NH3+]C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1	ZINC000124630232	415853062	/nfs/dbraw/zinc/85/30/62/415853062.db2.gz	BICOASVULRWGNK-SECBINFHSA-N	0	1	303.315	0.750	50	5		DCBAMN
O=C(CC1C(=O)Nc2ncnn21)Nc1ccccc1[N+](=O)[O-]	ZINC000020715759	182243037	/nfs/dbraw/zinc/24/30/37/182243037.db2.gz	TUZZKIFBHBHDSN-VIFPVBQESA-N	0	1	302.250	0.708	50	5		DCBAMN
Nc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-]	ZINC000952992374	685602948	/nfs/dbraw/zinc/60/29/48/685602948.db2.gz	LKRNSWCGQDCAAP-AAEUAGOBSA-N	0	1	307.354	0.607	50	5		DCBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)C[C@H]1c1ccccc1	ZINC000075141531	296065744	/nfs/dbraw/zinc/06/57/44/296065744.db2.gz	IWWVQVGJSHQBEW-AGIUHOORSA-N	0	1	324.358	0.650	50	5		DCBAMN
O=C([C@@H]1CC1[N+](=O)[O-])N1CCS(=O)(=O)C[C@@H]1c1ccccc1	ZINC000075141534	304382966	/nfs/dbraw/zinc/38/29/66/304382966.db2.gz	IWWVQVGJSHQBEW-FRRDWIJNSA-N	0	1	324.358	0.650	50	5		DCBAMN
C[NH+]1CCN(c2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000003879244	415131473	/nfs/dbraw/zinc/13/14/73/415131473.db2.gz	UKDMOXIGYKCTLP-UHFFFAOYSA-N	0	1	310.266	0.953	50	5		DCBAMN
Cc1ccnc(N(C)C[C@@H](O)CN2CCN(C)CC2)c1[N+](=O)[O-]	ZINC000096406530	302268890	/nfs/dbraw/zinc/26/88/90/302268890.db2.gz	GCUPVDGLLCMQIB-CYBMUJFWSA-N	0	1	323.397	0.343	50	5		DCBAMN
O=C(Cn1cc([N+](=O)[O-])cn1)NCc1n[nH]c2c1CCCC2	ZINC000585087570	766274457	/nfs/dbraw/zinc/27/44/57/766274457.db2.gz	LUABFLXLTYSLBF-UHFFFAOYSA-N	0	1	304.310	0.710	50	5		DCBAMN
O=C(NCCNC(=O)[C@H]1CC1[N+](=O)[O-])c1ccccc1Cl	ZINC000052820255	395870354	/nfs/dbraw/zinc/87/03/54/395870354.db2.gz	NXVIARMFVJXGIC-GXSJLCMTSA-N	0	1	311.725	0.851	50	5		DCBAMN
O=c1[nH]c(=O)n(Cc2noc(-c3ccoc3)n2)cc1[N+](=O)[O-]	ZINC000072292145	396129696	/nfs/dbraw/zinc/12/96/96/396129696.db2.gz	BVGPPPZOYWVFAV-UHFFFAOYSA-N	0	1	305.206	0.136	50	5		DCBAMN
O=C([O-])[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCNCC1	ZINC000022996968	182344396	/nfs/dbraw/zinc/34/43/96/182344396.db2.gz	XMEIYTGFSAKPST-GFCCVEGCSA-N	0	1	322.321	0.282	50	5		DCBAMN
C[C@H]1CC[C@H](C(N)=O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000069929251	278380753	/nfs/dbraw/zinc/38/07/53/278380753.db2.gz	LTDVKONBBHGZKG-CABZTGNLSA-N	0	1	320.349	0.780	50	5		DCBAMN
CN1CCN(CC[C@@H]2Oc3cc([N+](=O)[O-])ccc3NC2=O)CC1	ZINC000020405111	415154798	/nfs/dbraw/zinc/15/47/98/415154798.db2.gz	GBOHLOVZXPKZEE-ZDUSSCGKSA-N	0	1	320.349	0.932	50	5		DCBAMN
[NH3+]C[C@H]([N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-])C1CC1	ZINC000124630037	395901654	/nfs/dbraw/zinc/90/16/54/395901654.db2.gz	BICOASVULRWGNK-VIFPVBQESA-N	0	1	303.315	0.750	50	5		DCBAMN
CS(=O)(=O)c1ccc(NCCc2nc[nH]n2)c([N+](=O)[O-])c1	ZINC000078824217	185116307	/nfs/dbraw/zinc/11/63/07/185116307.db2.gz	UUCTYTSDEQNYEX-UHFFFAOYSA-N	0	1	311.323	0.771	50	5		DCBAMN
C[C@H]1CC[C@@H](C(N)=O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000069929257	415405396	/nfs/dbraw/zinc/40/53/96/415405396.db2.gz	LTDVKONBBHGZKG-JOYOIKCWSA-N	0	1	320.349	0.780	50	5		DCBAMN
Nc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)ncc1[N+](=O)[O-]	ZINC000952992377	685602690	/nfs/dbraw/zinc/60/26/90/685602690.db2.gz	LKRNSWCGQDCAAP-YPMHNXCESA-N	0	1	307.354	0.607	50	5		DCBAMN
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])cc1NS(C)(=O)=O	ZINC000065478499	184352295	/nfs/dbraw/zinc/35/22/95/184352295.db2.gz	HRUPVDOICHDFDF-KOLCDFICSA-N	0	1	313.335	0.970	50	5		DCBAMN
O=[N+]([O-])c1cccc(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000005024968	181192390	/nfs/dbraw/zinc/19/23/90/181192390.db2.gz	FKJQEDDTTAPSSN-SNVBAGLBSA-N	0	1	320.348	0.524	50	5		DCBAMN
Cc1ccc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])cc1NS(C)(=O)=O	ZINC000065478510	184352530	/nfs/dbraw/zinc/35/25/30/184352530.db2.gz	HRUPVDOICHDFDF-GXSJLCMTSA-N	0	1	313.335	0.970	50	5		DCBAMN
O=C(NCCNC(=O)[C@@H]1CC1[N+](=O)[O-])c1ccccc1Cl	ZINC000052820252	395870196	/nfs/dbraw/zinc/87/01/96/395870196.db2.gz	NXVIARMFVJXGIC-KOLCDFICSA-N	0	1	311.725	0.851	50	5		DCBAMN
O=C(Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc2[nH]nnc2c1	ZINC000079022834	185147068	/nfs/dbraw/zinc/14/70/68/185147068.db2.gz	KHKSKQMRXWAZTO-UHFFFAOYSA-N	0	1	314.261	0.667	50	5		DCBAMN
Nc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-]	ZINC000952992376	685602596	/nfs/dbraw/zinc/60/25/96/685602596.db2.gz	LKRNSWCGQDCAAP-WCQYABFASA-N	0	1	307.354	0.607	50	5		DCBAMN
O=C([O-])[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCNCC1	ZINC000022996971	182344441	/nfs/dbraw/zinc/34/44/41/182344441.db2.gz	XMEIYTGFSAKPST-LBPRGKRZSA-N	0	1	322.321	0.282	50	5		DCBAMN
CN(C[C@H](O)CN1CCN(C)CC1)c1ccccc1[N+](=O)[O-]	ZINC000071893783	396123845	/nfs/dbraw/zinc/12/38/45/396123845.db2.gz	DEDGGCZKNCMOTB-ZDUSSCGKSA-N	0	1	308.382	0.639	50	5		DCBAMN
Cc1n[nH]c(C(=O)N2CCN(c3nccn3C)CC2)c1[N+](=O)[O-]	ZINC000096436946	395753181	/nfs/dbraw/zinc/75/31/81/395753181.db2.gz	KWSFRTQKLMIHKU-UHFFFAOYSA-N	0	1	319.325	0.322	50	5		DCBAMN
O=C(Nc1cc(Br)c[nH]c1=O)[C@@H]1CC1[N+](=O)[O-]	ZINC000067937750	396039645	/nfs/dbraw/zinc/03/96/45/396039645.db2.gz	QBNAXEZEDMHHJP-VDTYLAMSSA-N	0	1	302.084	0.741	50	5		DCBAMN
Cc1ccc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1NS(C)(=O)=O	ZINC000065478503	184352650	/nfs/dbraw/zinc/35/26/50/184352650.db2.gz	HRUPVDOICHDFDF-ONGXEEELSA-N	0	1	313.335	0.970	50	5		DCBAMN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1n[nH]c2c1C[NH2+]C2	ZINC000725372871	658607374	/nfs/dbraw/zinc/60/73/74/658607374.db2.gz	AJGVRSXBAIXQBD-UHFFFAOYSA-N	0	1	309.307	0.722	50	5		DCBAMN
Nc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)ncc1[N+](=O)[O-]	ZINC000952992375	685602715	/nfs/dbraw/zinc/60/27/15/685602715.db2.gz	LKRNSWCGQDCAAP-DGCLKSJQSA-N	0	1	307.354	0.607	50	5		DCBAMN
O=[N+]([O-])c1cnn(CCN2CCCN(c3ncccn3)CC2)c1	ZINC000084613422	545702434	/nfs/dbraw/zinc/70/24/34/545702434.db2.gz	ASLGLVYFKJGECO-UHFFFAOYSA-N	0	1	317.353	0.794	50	5		DCBAMN
O=[N+]([O-])c1cccc(NS(=O)(=O)[C@H]2CCS(=O)(=O)C2)c1	ZINC000005024969	181192208	/nfs/dbraw/zinc/19/22/08/181192208.db2.gz	FKJQEDDTTAPSSN-JTQLQIEISA-N	0	1	320.348	0.524	50	5		DCBAMN
O=[N+]([O-])c1ccc(N[C@@H]2CCN(CCn3cncn3)C2)nc1	ZINC000072665278	285135503	/nfs/dbraw/zinc/13/55/03/285135503.db2.gz	VLMHMCJPPOMFDR-LLVKDONJSA-N	0	1	303.326	0.768	50	5		DCBAMN
COc1cc(/C=C2\NC(=S)N(C)C2=O)cc([N+](=O)[O-])c1O	ZINC000009295898	395685130	/nfs/dbraw/zinc/68/51/30/395685130.db2.gz	VOJXGUODKSPOJG-CLTKARDFSA-N	0	1	309.303	0.996	50	5		DCBAMN