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]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl	ZINC000016088111	818391048	/nfs/dbraw/zinc/39/10/48/818391048.db2.gz	SMSLRYNEJMBUOR-QMMMGPOBSA-N	-1	3	393.223	4.080	20	5		GIBDHM
CC(C)(C)OC(=O)Nc1ccc(F)c([N-]C(=O)c2ccc([N+](=O)[O-])s2)c1	ZINC000192595741	824040994	/nfs/dbraw/zinc/04/09/94/824040994.db2.gz	LNINYNXJZBTDCA-UHFFFAOYSA-N	-1	3	381.385	4.395	20	5		GIBDHM
CCCOc1cc([N-]C(=O)c2oc(CC)nc2C)c([N+](=O)[O-])cc1OCCC	ZINC000459892926	823270418	/nfs/dbraw/zinc/27/04/18/823270418.db2.gz	IHCDKBYBNFQCER-UHFFFAOYSA-N	-1	3	391.424	4.284	20	5		GIBDHM
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)Cc1nc2c3ccccc3oc2c(=O)[n-]1	ZINC000064350269	823798600	/nfs/dbraw/zinc/79/86/00/823798600.db2.gz	WQMBIUKDCFBIEA-UHFFFAOYSA-N	-1	3	392.415	4.400	20	5		GIBDHM
COC(=O)c1scc(-c2ccc(C)cc2)c1[N-]C(=O)c1ccc([N+](=O)[O-])cn1	ZINC000574792945	823827859	/nfs/dbraw/zinc/82/78/59/823827859.db2.gz	LTDAFVHKPZZOTG-UHFFFAOYSA-N	-1	3	397.412	4.066	20	5		GIBDHM
C[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000575123657	823917351	/nfs/dbraw/zinc/91/73/51/823917351.db2.gz	RRQBNHFOOKGZPZ-GUYCJALGSA-N	-1	3	388.395	4.069	20	5		GIBDHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CC[C@@H](C)C2	ZINC000006155019	817664141	/nfs/dbraw/zinc/66/41/41/817664141.db2.gz	WAYPFAWKDNWGSJ-SECBINFHSA-N	-1	3	394.474	4.272	20	5		GIBDHM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1[N+](=O)[O-]	ZINC000007422757	817837460	/nfs/dbraw/zinc/83/74/60/817837460.db2.gz	CRWKJAAOYZDOBU-UHFFFAOYSA-N	-1	3	379.196	4.150	20	5		GIBDHM
O=[N+]([O-])c1ccccc1CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1Cl	ZINC000033625446	821058287	/nfs/dbraw/zinc/05/82/87/821058287.db2.gz	NBTHWXUMEGLBRE-UHFFFAOYSA-N	-1	3	394.758	4.209	20	5		GIBDHM
CC(C)Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SC(C)C)s1	ZINC000180112987	822617948	/nfs/dbraw/zinc/61/79/48/822617948.db2.gz	ZMORJXQKDNPDPE-UHFFFAOYSA-N	-1	3	380.495	4.398	20	5		GIBDHM
C[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@@H]1C(=O)[O-]	ZINC000575123656	823917765	/nfs/dbraw/zinc/91/77/65/823917765.db2.gz	RRQBNHFOOKGZPZ-DYVFJYSZSA-N	-1	3	388.395	4.069	20	5		GIBDHM
Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1	ZINC000192586688	824038622	/nfs/dbraw/zinc/03/86/22/824038622.db2.gz	TZEOFYZRPDPWSD-UHFFFAOYSA-N	-1	3	388.836	4.251	20	5		GIBDHM
COc1ccc([N-]C(=O)c2csc(-c3c(F)cccc3F)n2)c([N+](=O)[O-])c1	ZINC000171025002	824041316	/nfs/dbraw/zinc/04/13/16/824041316.db2.gz	QZDBEHYTOLTHLT-UHFFFAOYSA-N	-1	3	391.355	4.257	20	5		GIBDHM
COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1	ZINC000064374710	205188472	/nfs/dbraw/zinc/18/84/72/205188472.db2.gz	PYJZBDICEOAYNM-UHFFFAOYSA-N	-1	3	391.232	4.019	20	5		GIBDHM
COc1ccc([N+](=O)[O-])c(C(=O)Nc2cc(Cc3ccccc3)ccc2[O-])c1	ZINC000179807691	822556717	/nfs/dbraw/zinc/55/67/17/822556717.db2.gz	BAOKAGKBDVOGAD-UHFFFAOYSA-N	-1	3	378.384	4.152	20	5		GIBDHM
Cc1cc(N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)ccc1[N+](=O)[O-]	ZINC000052427771	822798979	/nfs/dbraw/zinc/79/89/79/822798979.db2.gz	IQNPTYLDZUKZAP-UHFFFAOYSA-N	-1	3	389.839	4.117	20	5		GIBDHM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1[N+](=O)[O-]	ZINC000007421386	817837204	/nfs/dbraw/zinc/83/72/04/817837204.db2.gz	QOIIRKOWVBQKAG-UHFFFAOYSA-N	-1	3	379.196	4.150	20	5		GIBDHM
Cc1ccc(Cc2cnc([N-]C(=O)c3ccc([N+](=O)[O-])o3)s2)cc1Cl	ZINC000042707478	821326055	/nfs/dbraw/zinc/32/60/55/821326055.db2.gz	JYQXCODAPWETHY-UHFFFAOYSA-N	-1	3	377.809	4.449	20	5		GIBDHM
Cc1cc(Cl)ccc1Cc1cnc([N-]C(=O)c2ccc([N+](=O)[O-])o2)s1	ZINC000046647676	822497904	/nfs/dbraw/zinc/49/79/04/822497904.db2.gz	ZOLSUGHAFCMZRU-UHFFFAOYSA-N	-1	3	377.809	4.449	20	5		GIBDHM
O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1scnc1C1CCCC1	ZINC000183887909	822541047	/nfs/dbraw/zinc/54/10/47/822541047.db2.gz	IURRNZKOSIPEDF-UHFFFAOYSA-N	-1	3	389.433	4.123	20	5		GIBDHM
O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c2ccccc21	ZINC000014673672	818257995	/nfs/dbraw/zinc/25/79/95/818257995.db2.gz	MGHIIELIIKCUII-YBEGLDIGSA-N	-1	3	394.770	4.319	20	5		GIBDHM
CC(C)Sc1ccc([N+](=O)[O-])cc1C(=O)[N-]c1nnc(C(C)(C)C)s1	ZINC000180170656	822631795	/nfs/dbraw/zinc/63/17/95/822631795.db2.gz	HAAKLVRLKFBZQY-UHFFFAOYSA-N	-1	3	380.495	4.497	20	5		GIBDHM
CC(C)OC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCC2	ZINC000060853321	823562403	/nfs/dbraw/zinc/56/24/03/823562403.db2.gz	YFFIVUVECYNFTF-UHFFFAOYSA-N	-1	3	394.474	4.414	20	5		GIBDHM
Cc1c(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cccc1[N+](=O)[O-]	ZINC000042110791	821267428	/nfs/dbraw/zinc/26/74/28/821267428.db2.gz	UUWZWRGFDNAKDF-UHFFFAOYSA-N	-1	3	393.428	4.030	20	5		GIBDHM
C[C@@H](Nc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-])c1ccccn1	ZINC000174894087	822851919	/nfs/dbraw/zinc/85/19/19/822851919.db2.gz	RBLIEIIFCYFXRY-GFCCVEGCSA-N	-1	3	396.378	4.260	20	5		GIBDHM
C[C@H](Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000186997752	822994369	/nfs/dbraw/zinc/99/43/69/822994369.db2.gz	XFYGYCRMJXXFFX-ZDUSSCGKSA-N	-1	3	378.388	4.121	20	5		GIBDHM
CCCOc1cc([N-]C(=O)c2oc(C)nc2C)c([N+](=O)[O-])cc1OCCC	ZINC000175614789	823006917	/nfs/dbraw/zinc/00/69/17/823006917.db2.gz	CNIQYPMXLHNKEK-UHFFFAOYSA-N	-1	3	377.397	4.030	20	5		GIBDHM
Cc1ccc([N-]S(=O)(=O)c2ccc(N(C)C3CCC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000462110676	823830801	/nfs/dbraw/zinc/83/08/01/823830801.db2.gz	IRJYJEOOEOXGKC-UHFFFAOYSA-N	-1	3	389.477	4.001	20	5		GIBDHM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1[N+](=O)[O-]	ZINC000007418374	204241289	/nfs/dbraw/zinc/24/12/89/204241289.db2.gz	DAIVTLFGDZADLE-UHFFFAOYSA-N	-1	3	379.196	4.150	20	5		GIBDHM
CC[C@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-]	ZINC000057366595	823283304	/nfs/dbraw/zinc/28/33/04/823283304.db2.gz	AMWICZAXDZTARY-AWEZNQCLSA-N	-1	3	377.466	4.223	20	5		GIBDHM
O=c1nc(CSc2ccc([N+](=O)[O-])cc2)[n-]c2scc(-c3ccco3)c21	ZINC000028261383	820321152	/nfs/dbraw/zinc/32/11/52/820321152.db2.gz	IKOJELUAUZPRMK-UHFFFAOYSA-N	-1	3	385.426	4.445	20	5		GIBDHM
O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCc2cccc([O-])c21	ZINC000182946476	822397732	/nfs/dbraw/zinc/39/77/32/822397732.db2.gz	NENXZHBZABCNEP-UHFFFAOYSA-N	-1	3	381.413	4.017	20	5		GIBDHM
COc1cc(/C=C2/C(=O)Nc3cc(Cl)c([N+](=O)[O-])cc32)cc(Cl)c1[O-]	ZINC000046691207	822506023	/nfs/dbraw/zinc/50/60/23/822506023.db2.gz	QLAFRBYBAUEEBP-XNWCZRBMSA-N	-1	3	381.171	4.109	20	5		GIBDHM
Cc1nnsc1C(=O)[N-]c1cc([N+](=O)[O-])ccc1Sc1cccs1	ZINC000191458853	823687609	/nfs/dbraw/zinc/68/76/09/823687609.db2.gz	DZERYKNSPCSQCC-UHFFFAOYSA-N	-1	3	378.460	4.220	20	5		GIBDHM
COC(=O)c1cc(C(=O)[N-]c2cc(Cl)ccc2SC)cc([N+](=O)[O-])c1	ZINC000064848721	823899360	/nfs/dbraw/zinc/89/93/60/823899360.db2.gz	IQMDPPTUHZVWFB-UHFFFAOYSA-N	-1	3	380.809	4.009	20	5		GIBDHM
CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1	ZINC000050337509	822726536	/nfs/dbraw/zinc/72/65/36/822726536.db2.gz	VULYUOKZHNMNJM-UHFFFAOYSA-N	-1	3	389.462	4.120	20	5		GIBDHM
O=C([N-]c1sc2c(c1C(=O)c1cccnc1)CCC2)c1ccc([N+](=O)[O-])s1	ZINC000187135712	823015895	/nfs/dbraw/zinc/01/58/95/823015895.db2.gz	UISBEYCNKAGVNK-UHFFFAOYSA-N	-1	3	399.453	4.085	20	5		GIBDHM
Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(C)C)c([N+](=O)[O-])c3)cc2)n1	ZINC000187446065	823065208	/nfs/dbraw/zinc/06/52/08/823065208.db2.gz	IAZDGKMGMXDLSK-UHFFFAOYSA-N	-1	3	392.415	4.029	20	5		GIBDHM
COC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CCCCC2	ZINC000006440964	817692525	/nfs/dbraw/zinc/69/25/25/817692525.db2.gz	QQCJFFQUIZSTJW-UHFFFAOYSA-N	-1	3	380.447	4.026	20	5		GIBDHM
O=C([N-]c1nc2ccccn2n1)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	ZINC000179388041	822475237	/nfs/dbraw/zinc/47/52/37/822475237.db2.gz	BWDXNXXBEFCDKN-UHFFFAOYSA-N	-1	3	391.412	4.041	20	5		GIBDHM
CCOC(=O)c1c([N-]C(=O)c2ccc([N+](=O)[O-])s2)sc2c1CC[C@H](C)C2	ZINC000006155021	817664208	/nfs/dbraw/zinc/66/42/08/817664208.db2.gz	WAYPFAWKDNWGSJ-VIFPVBQESA-N	-1	3	394.474	4.272	20	5		GIBDHM
C[C@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000011810459	818121956	/nfs/dbraw/zinc/12/19/56/818121956.db2.gz	JAYNBNKBCAQAGQ-ZETCQYMHSA-N	-1	3	397.174	4.198	20	5		GIBDHM
CCOc1cc([N-]C(=O)c2cnc(C(C)C)s2)c([N+](=O)[O-])cc1OCC	ZINC000123461631	823511375	/nfs/dbraw/zinc/51/13/75/823511375.db2.gz	IFKCBSLYTNKUHU-UHFFFAOYSA-N	-1	3	379.438	4.224	20	5		GIBDHM
O=C(Nc1ccccc1Oc1cc(F)cc(F)c1)c1c[n-]c(=O)c([N+](=O)[O-])c1	ZINC000185842047	822826582	/nfs/dbraw/zinc/82/65/82/822826582.db2.gz	PQPPRPODHVGXDO-UHFFFAOYSA-N	-1	3	387.298	4.018	20	5		GIBDHM
O=C([N-]c1cc(-c2ccccc2)on1)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000175253330	822915336	/nfs/dbraw/zinc/91/53/36/822915336.db2.gz	DWQRSLKNHVUZJE-UHFFFAOYSA-N	-1	3	388.177	4.265	20	5		GIBDHM
O=C([N-]c1nc2ccc(OC(F)(F)F)cc2s1)c1ccc([N+](=O)[O-])s1	ZINC000018235253	818559394	/nfs/dbraw/zinc/55/93/94/818559394.db2.gz	JSXYLKVPZVKMDG-UHFFFAOYSA-N	-1	3	389.336	4.417	20	5		GIBDHM
O=C([N-]c1cc(C(=O)Nc2ccccc2)ccc1Cl)c1ccc([N+](=O)[O-])o1	ZINC000123529532	823518046	/nfs/dbraw/zinc/51/80/46/823518046.db2.gz	FJIBANBHEGEDSM-UHFFFAOYSA-N	-1	3	385.763	4.346	20	5		GIBDHM
Cc1cc(Cl)c([N+](=O)[O-])cc1[N-]C(=O)c1cc(-c2ccc3c(c2)CCO3)no1	ZINC000124551193	823605865	/nfs/dbraw/zinc/60/58/65/823605865.db2.gz	FAPFOLKPFWHOLJ-UHFFFAOYSA-N	-1	3	399.790	4.399	20	5		GIBDHM
CCC(CC)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)s1	ZINC000121726937	823237956	/nfs/dbraw/zinc/23/79/56/823237956.db2.gz	OJZQDLHAFFYJLZ-UHFFFAOYSA-N	-1	3	393.425	4.127	20	5		GIBDHM
O=C([N-]c1nc2c(cccc2Br)s1)c1ccc([N+](=O)[O-])s1	ZINC000004348391	817523143	/nfs/dbraw/zinc/52/31/43/817523143.db2.gz	HBWYLOOYQQHDOU-UHFFFAOYSA-N	-1	3	384.236	4.281	20	5		GIBDHM
CCCCCc1nnc([N-]C(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1	ZINC000014714353	818261281	/nfs/dbraw/zinc/26/12/81/818261281.db2.gz	BAFFXEUVVMKGGM-UHFFFAOYSA-N	-1	3	399.270	4.194	20	5		GIBDHM
CCOC(=O)c1c(CC(C)C)csc1[N-]C(=O)c1ccc([N+](=O)[O-])s1	ZINC000025876021	820033853	/nfs/dbraw/zinc/03/38/53/820033853.db2.gz	DNGAFHVYXDHXTF-UHFFFAOYSA-N	-1	3	382.463	4.345	20	5		GIBDHM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F	ZINC000410415724	823490681	/nfs/dbraw/zinc/49/06/81/823490681.db2.gz	ATMMPGWQVPXVEW-UHFFFAOYSA-N	-1	3	379.196	4.150	20	5		GIBDHM
O=C([N-]c1nnc(-c2c(F)cccc2Cl)s1)c1ccccc1[N+](=O)[O-]	ZINC000186086839	822850435	/nfs/dbraw/zinc/85/04/35/822850435.db2.gz	LKMPJLHCCDUNML-UHFFFAOYSA-N	-1	3	378.772	4.158	20	5		GIBDHM
Cc1ccc([N+](=O)[O-])c(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1	ZINC000175599607	823004546	/nfs/dbraw/zinc/00/45/46/823004546.db2.gz	DQSRLTTZKLJTSK-UHFFFAOYSA-N	-1	3	392.487	4.361	20	5		GIBDHM
O=C([O-])c1cc(NC[C@@H](c2cccc(Cl)c2)N2CCCC2)ccc1[N+](=O)[O-]	ZINC000571314278	823164233	/nfs/dbraw/zinc/16/42/33/823164233.db2.gz	HXVFPPCDEQACLC-SFHVURJKSA-N	-1	3	389.839	4.195	20	5		GIBDHM
O=C([N-]c1ccc(F)c(F)c1F)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-]	ZINC000042198586	821282592	/nfs/dbraw/zinc/28/25/92/821282592.db2.gz	QVLWYHNNMGQFKH-UHFFFAOYSA-N	-1	3	394.227	4.206	20	5		GIBDHM
CCCCc1nnc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1	ZINC000050288018	822723668	/nfs/dbraw/zinc/72/36/68/822723668.db2.gz	FGNWMGRDOQDCMA-UHFFFAOYSA-N	-1	3	389.462	4.165	20	5		GIBDHM
COc1ccc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)cc1[N+](=O)[O-]	ZINC000191838473	823792386	/nfs/dbraw/zinc/79/23/86/823792386.db2.gz	QGHVIXSPWOGNNV-UHFFFAOYSA-N	-1	3	396.384	4.120	20	5		GIBDHM
CCSc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Br)cc1[O-]	ZINC000575444081	823971199	/nfs/dbraw/zinc/97/11/99/823971199.db2.gz	BIQPMJJNBXNQDD-UHFFFAOYSA-N	-1	3	397.250	4.427	20	5		GIBDHM
CCCCc1nnc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1	ZINC000050288020	822723651	/nfs/dbraw/zinc/72/36/51/822723651.db2.gz	LLAFPPDFYMPLSQ-UHFFFAOYSA-N	-1	3	389.462	4.165	20	5		GIBDHM
CC(C)Cc1nnc([N-]C(=O)c2csc(-c3ccc([N+](=O)[O-])cc3)n2)s1	ZINC000050287549	822723676	/nfs/dbraw/zinc/72/36/76/822723676.db2.gz	RLVAMXDLOSNYAQ-UHFFFAOYSA-N	-1	3	389.462	4.021	20	5		GIBDHM
Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1Cc1ccccc1Cl	ZINC000055586277	822982595	/nfs/dbraw/zinc/98/25/95/822982595.db2.gz	SDXKQCIRONNEGR-UHFFFAOYSA-N	-1	3	377.809	4.449	20	5		GIBDHM
CCOc1cc([N-]C(=O)c2cc(F)c(F)cc2F)c([N+](=O)[O-])cc1OCC	ZINC000125974336	823757237	/nfs/dbraw/zinc/75/72/37/823757237.db2.gz	BUTXIULECJGKKR-UHFFFAOYSA-N	-1	3	384.310	4.062	20	5		GIBDHM
O=C([N-]c1cc(-c2ccc(OC(F)F)cc2)no1)c1ccc([N+](=O)[O-])s1	ZINC000175969567	823084589	/nfs/dbraw/zinc/08/45/89/823084589.db2.gz	IOJAKNVXTHHCQT-UHFFFAOYSA-N	-1	3	381.316	4.165	20	5		GIBDHM
CCCCNc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-]	ZINC000024106551	819025331	/nfs/dbraw/zinc/02/53/31/819025331.db2.gz	IPYMPPYJSOBCIR-UHFFFAOYSA-N	-1	3	377.466	4.224	20	5		GIBDHM
Cc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2SCC2CCCC2)s1	ZINC000182262011	822175404	/nfs/dbraw/zinc/17/54/04/822175404.db2.gz	FSBADAOJHIUIDW-UHFFFAOYSA-N	-1	3	378.479	4.289	20	5		GIBDHM
O=C([N-]c1ncn(C2CCCCC2)n1)c1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000182710003	822356554	/nfs/dbraw/zinc/35/65/54/822356554.db2.gz	RFLSRXBNLHFVSO-UHFFFAOYSA-N	-1	3	398.448	4.067	20	5		GIBDHM
Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(SCc2ccccc2)s1	ZINC000183764345	822524607	/nfs/dbraw/zinc/52/46/07/822524607.db2.gz	QHIISTJTXMHCTA-UHFFFAOYSA-N	-1	3	386.458	4.299	20	5		GIBDHM
Cc1cccc([N+](=O)[O-])c1C(=O)N=c1cc(-c2cc(Cl)cc(Cl)c2)[n-][nH]1	ZINC000569072397	822877047	/nfs/dbraw/zinc/87/70/47/822877047.db2.gz	XFJORBJSPLOXFI-UHFFFAOYSA-N	-1	3	391.214	4.274	20	5		GIBDHM
C[C@@H](Nc1ccc(NC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1)c1ccccc1	ZINC000186997769	822994410	/nfs/dbraw/zinc/99/44/10/822994410.db2.gz	XFYGYCRMJXXFFX-CYBMUJFWSA-N	-1	3	378.388	4.121	20	5		GIBDHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc4c(c3)CCCC4)cs2)n1	ZINC000191456772	823687449	/nfs/dbraw/zinc/68/74/49/823687449.db2.gz	PSTYQWGIOAHIKL-UHFFFAOYSA-N	-1	3	397.460	4.066	20	5		GIBDHM
O=C([O-])c1cc(NC[C@H](c2cccc(Cl)c2)N2CCCC2)ccc1[N+](=O)[O-]	ZINC000571314276	823164277	/nfs/dbraw/zinc/16/42/77/823164277.db2.gz	HXVFPPCDEQACLC-GOSISDBHSA-N	-1	3	389.839	4.195	20	5		GIBDHM
O=C([N-]c1cc2c(cc1[N+](=O)[O-])OCCCO2)c1cc2cc(Cl)ccc2o1	ZINC000010965736	818036173	/nfs/dbraw/zinc/03/61/73/818036173.db2.gz	UIZRVIKORSQMBZ-UHFFFAOYSA-N	-1	3	388.763	4.408	20	5		GIBDHM
Cc1nn(-c2ccccc2)c(Cl)c1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F	ZINC000124924509	823637444	/nfs/dbraw/zinc/63/74/44/823637444.db2.gz	IKZJORHAMMGVNR-UHFFFAOYSA-N	-1	3	392.749	4.273	20	5		GIBDHM
COc1cc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)ccc1[N+](=O)[O-]	ZINC000191841783	823793354	/nfs/dbraw/zinc/79/33/54/823793354.db2.gz	RZDBWHAAKVESQU-UHFFFAOYSA-N	-1	3	396.384	4.120	20	5		GIBDHM
O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(-c2ccccc2)on1	ZINC000121286530	823155443	/nfs/dbraw/zinc/15/54/43/823155443.db2.gz	DILCFESNQQLAHE-UHFFFAOYSA-N	-1	3	375.287	4.104	20	5		GIBDHM
O=C([N-]c1ccc(Br)c([N+](=O)[O-])c1)c1c(F)ccc(F)c1F	ZINC000121555570	823204876	/nfs/dbraw/zinc/20/48/76/823204876.db2.gz	LDJYMZVQEZIFFW-UHFFFAOYSA-N	-1	3	375.100	4.027	20	5		GIBDHM
CCC(CC)c1nnc([N-]C(=O)c2ccc(Br)c([N+](=O)[O-])c2)s1	ZINC000022922877	818877134	/nfs/dbraw/zinc/87/71/34/818877134.db2.gz	JXWVVMPQPIKKRM-UHFFFAOYSA-N	-1	3	399.270	4.365	20	5		GIBDHM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2Cl)c1	ZINC000059132308	823486408	/nfs/dbraw/zinc/48/64/08/823486408.db2.gz	AZWXTMQHAQGWKG-UHFFFAOYSA-N	-1	3	381.624	4.356	20	5		GIBDHM
Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)cc1[N+](=O)[O-]	ZINC000410415180	823490593	/nfs/dbraw/zinc/49/05/93/823490593.db2.gz	CUBJJHYJBOKXHV-UHFFFAOYSA-N	-1	3	379.196	4.150	20	5		GIBDHM
CC(C)Cc1nnc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1	ZINC000050287554	822723641	/nfs/dbraw/zinc/72/36/41/822723641.db2.gz	SCBIEEHKUWDCCU-UHFFFAOYSA-N	-1	3	389.462	4.021	20	5		GIBDHM
Cc1nc([N-]C(=O)c2ccc([N+](=O)[O-])o2)sc1Cc1cccc(Cl)c1	ZINC000055583059	822982241	/nfs/dbraw/zinc/98/22/41/822982241.db2.gz	VBILHJNHMJCVSH-UHFFFAOYSA-N	-1	3	377.809	4.449	20	5		GIBDHM
CC[C@@H](C)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1[N+](=O)[O-]	ZINC000057366592	823283277	/nfs/dbraw/zinc/28/32/77/823283277.db2.gz	AMWICZAXDZTARY-CQSZACIVSA-N	-1	3	377.466	4.223	20	5		GIBDHM
O=C([N-]c1cc(F)c(F)cc1F)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000175770615	823036407	/nfs/dbraw/zinc/03/64/07/823036407.db2.gz	PQHCVKSDZIQOJC-UHFFFAOYSA-N	-1	3	375.100	4.027	20	5		GIBDHM
Cc1noc2nc(C(C)C)cc(C(=O)[N-]c3cc([N+](=O)[O-])c(F)cc3F)c12	ZINC000124956458	823640450	/nfs/dbraw/zinc/64/04/50/823640450.db2.gz	OKNNYPYZNOPXNW-UHFFFAOYSA-N	-1	3	376.319	4.093	20	5		GIBDHM
O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(Cl)ccc1[O-]	ZINC000063803275	823698300	/nfs/dbraw/zinc/69/83/00/823698300.db2.gz	HRTRYOOCAHTICU-UHFFFAOYSA-N	-1	3	378.815	4.152	20	5		GIBDHM
C[C@@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000575123655	823917391	/nfs/dbraw/zinc/91/73/91/823917391.db2.gz	RRQBNHFOOKGZPZ-CXAGYDPISA-N	-1	3	388.395	4.069	20	5		GIBDHM
O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc(Cc2ccc(F)cc2)n1	ZINC000170701177	823946190	/nfs/dbraw/zinc/94/61/90/823946190.db2.gz	KKZALEDKHHKQEG-UHFFFAOYSA-N	-1	3	375.356	4.173	20	5		GIBDHM
O=c1[n-]c(-c2ccc(Cl)c([N+](=O)[O-])c2)nc2ccc(Br)cc12	ZINC000053849322	822850769	/nfs/dbraw/zinc/85/07/69/822850769.db2.gz	WCDNJPZSBHJLHH-UHFFFAOYSA-N	-1	3	380.585	4.327	20	5		GIBDHM
Cc1cc([N+](=O)[O-])c(C)cc1NC(=O)NCc1ccc([O-])c(Br)c1	ZINC000191324888	823672030	/nfs/dbraw/zinc/67/20/30/823672030.db2.gz	NUYQVFGMSZVXIR-UHFFFAOYSA-N	-1	3	394.225	4.001	20	5		GIBDHM
O=C([N-]c1cc([N+](=O)[O-])ccc1OC(F)F)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000121291254	823156350	/nfs/dbraw/zinc/15/63/50/823156350.db2.gz	SGYMAYUWRQTNSH-UHFFFAOYSA-N	-1	3	387.682	4.010	20	5		GIBDHM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3[N+](=O)[O-])cc2)cc1	ZINC000007979504	817974467	/nfs/dbraw/zinc/97/44/67/817974467.db2.gz	FZUPHAGBZGXIJI-UHFFFAOYSA-N	-1	3	384.413	4.496	20	5		GIBDHM
CCc1[nH]nc(C(=O)[N-]c2cc(C)ccc2SCC(F)(F)F)c1[N+](=O)[O-]	ZINC000185693813	822810685	/nfs/dbraw/zinc/81/06/85/822810685.db2.gz	ILVIUVQEEULBEX-UHFFFAOYSA-N	-1	3	388.371	4.095	20	5		GIBDHM
COc1cc(Cl)c(Cl)cc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F	ZINC000175455368	822973409	/nfs/dbraw/zinc/97/34/09/822973409.db2.gz	YKJYLLGWICZAEF-UHFFFAOYSA-N	-1	3	377.130	4.441	20	5		GIBDHM
CC(C)N(CCOc1ccc(C(=O)[O-])cc1Cl)Cc1ccc([N+](=O)[O-])cc1	ZINC000571409623	823178772	/nfs/dbraw/zinc/17/87/72/823178772.db2.gz	JUBLDQUPQXMLON-UHFFFAOYSA-N	-1	3	392.839	4.236	20	5		GIBDHM
Cc1cccc(C(=O)[N-]c2nnc(C34CC5CC(CC(C5)C3)C4)s2)c1[N+](=O)[O-]	ZINC000036726740	821079433	/nfs/dbraw/zinc/07/94/33/821079433.db2.gz	INRCJJPSFZLPDP-UHFFFAOYSA-N	-1	3	398.488	4.475	20	5		GIBDHM
C[C@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2c([O-])cccc21	ZINC000186320181	822875844	/nfs/dbraw/zinc/87/58/44/822875844.db2.gz	DYKFHAFAQYYAAB-JTQLQIEISA-N	-1	3	391.221	4.217	20	5		GIBDHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCCCCF)c([N+](=O)[O-])c2)c(C)c1	ZINC000461863733	823726743	/nfs/dbraw/zinc/72/67/43/823726743.db2.gz	ATRYISNBCXQXAS-UHFFFAOYSA-N	-1	3	395.456	4.174	20	5		GIBDHM
O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc(-c2cccc([N+](=O)[O-])c2)n1	ZINC000064896897	823907484	/nfs/dbraw/zinc/90/74/84/823907484.db2.gz	XLZYRXXCYKAZLH-UHFFFAOYSA-N	-1	3	388.336	4.018	20	5		GIBDHM
Cc1nc(Cc2ccccc2)sc1C(=O)[N-]c1cc([N+](=O)[O-])c(F)cc1F	ZINC000192550782	824029630	/nfs/dbraw/zinc/02/96/30/824029630.db2.gz	WCJFODJQYPIFMV-UHFFFAOYSA-N	-1	3	389.383	4.481	20	5		GIBDHM
C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])c1cc(F)c(Cl)cc1Cl	ZINC000016088110	818391136	/nfs/dbraw/zinc/39/11/36/818391136.db2.gz	SMSLRYNEJMBUOR-MRVPVSSYSA-N	-1	3	393.223	4.080	20	5		GIBDHM
Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1	ZINC000183731413	822518207	/nfs/dbraw/zinc/51/82/07/822518207.db2.gz	HTUUZQCCFLSHPX-UHFFFAOYSA-N	-1	3	398.488	4.475	20	5		GIBDHM
C[C@H](Nc1ccc(C(=O)Nc2cc(F)ccc2[O-])cc1[N+](=O)[O-])c1ccccn1	ZINC000174894071	822851890	/nfs/dbraw/zinc/85/18/90/822851890.db2.gz	RBLIEIIFCYFXRY-LBPRGKRZSA-N	-1	3	396.378	4.260	20	5		GIBDHM
Cc1cccc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)s2)c1[N+](=O)[O-]	ZINC000191845045	823794191	/nfs/dbraw/zinc/79/41/91/823794191.db2.gz	HJWMQQAUJCPNOY-UHFFFAOYSA-N	-1	3	380.385	4.420	20	5		GIBDHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCC(C)C)c([N+](=O)[O-])c2)c(C)c1	ZINC000015207994	818300241	/nfs/dbraw/zinc/30/02/41/818300241.db2.gz	QBZTYBPOGUMLBD-UHFFFAOYSA-N	-1	3	377.466	4.080	20	5		GIBDHM
O=[N+]([O-])c1ccc(Sc2nnc([N-]c3ccccc3F)s2)c([N+](=O)[O-])c1	ZINC000018900844	818579828	/nfs/dbraw/zinc/57/98/28/818579828.db2.gz	UQVZITKERJOSDC-UHFFFAOYSA-N	-1	3	393.381	4.388	20	5		GIBDHM
Cc1cccc(C(=O)[N-]c2nnc(-c3c(F)cccc3Cl)s2)c1[N+](=O)[O-]	ZINC000186093179	822850782	/nfs/dbraw/zinc/85/07/82/822850782.db2.gz	FTIBYSFKDJAYKN-UHFFFAOYSA-N	-1	3	392.799	4.467	20	5		GIBDHM
CSc1ccc(Cl)cc1[N-]C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	ZINC000064848710	823899258	/nfs/dbraw/zinc/89/92/58/823899258.db2.gz	DDVSKEBQTCIKBS-UHFFFAOYSA-N	-1	3	381.797	4.439	20	5		GIBDHM
COc1cc(C(=O)[N-]c2nnc(-c3cccc(Cl)c3)s2)ccc1[N+](=O)[O-]	ZINC000170803653	823975624	/nfs/dbraw/zinc/97/56/24/823975624.db2.gz	VVZXQOPHRJDDKK-UHFFFAOYSA-N	-1	3	390.808	4.028	20	5		GIBDHM
O=C(COC(=O)c1c2ccccc2cc2ccccc21)[N-]C(=O)c1cccs1	ZINC000007133085	817768965	/nfs/dbraw/zinc/76/89/65/817768965.db2.gz	HVIKTJXDXWIABO-UHFFFAOYSA-N	-1	3	389.432	4.168	20	5		GIBDHM
Cc1ccc([N-]S(=O)(=O)c2ccc(NCC3CCC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000029587415	820479854	/nfs/dbraw/zinc/47/98/54/820479854.db2.gz	YEYUSFOJEASPQO-UHFFFAOYSA-N	-1	3	389.477	4.224	20	5		GIBDHM
O=[N+]([O-])c1ccccc1CCS(=O)(=O)[N-]c1cc(Cl)c(Cl)cc1F	ZINC000410417771	823491297	/nfs/dbraw/zinc/49/12/97/823491297.db2.gz	JBCAIDPCOCRUGB-UHFFFAOYSA-N	-1	3	393.223	4.025	20	5		GIBDHM
CSc1ccc(C(=O)[N-]c2nc(-c3cccs3)ns2)cc1[N+](=O)[O-]	ZINC000182144589	822115715	/nfs/dbraw/zinc/11/57/15/822115715.db2.gz	NMWCASVCFOSNDM-UHFFFAOYSA-N	-1	3	378.460	4.149	20	5		GIBDHM
CC(C)(C)c1nnc([N-]C(=O)c2csc(-c3cccc([N+](=O)[O-])c3)n2)s1	ZINC000050337460	822726563	/nfs/dbraw/zinc/72/65/63/822726563.db2.gz	QPULYHKXYQURDY-UHFFFAOYSA-N	-1	3	389.462	4.120	20	5		GIBDHM
Cc1ccc(Sc2nsc([N-]C(=O)c3cccc(C)c3[N+](=O)[O-])n2)cc1	ZINC000174556017	822804688	/nfs/dbraw/zinc/80/46/88/822804688.db2.gz	RASHCMXWUUATEX-UHFFFAOYSA-N	-1	3	386.458	4.467	20	5		GIBDHM
C[C@@H]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Br)c2c([O-])cccc21	ZINC000186320165	822875841	/nfs/dbraw/zinc/87/58/41/822875841.db2.gz	DYKFHAFAQYYAAB-SNVBAGLBSA-N	-1	3	391.221	4.217	20	5		GIBDHM
CCOc1cc([N-]C(=O)c2scnc2C(C)(C)C)c([N+](=O)[O-])cc1OCC	ZINC000175494028	822983142	/nfs/dbraw/zinc/98/31/42/822983142.db2.gz	RMZNSQICDXYYIN-UHFFFAOYSA-N	-1	3	393.465	4.399	20	5		GIBDHM
O=C([N-]c1cc([N+](=O)[O-])ccc1F)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000064896896	823907580	/nfs/dbraw/zinc/90/75/80/823907580.db2.gz	CFXXEIMKUCYHIB-UHFFFAOYSA-N	-1	3	388.336	4.018	20	5		GIBDHM
COc1cc(C(=O)[N-]c2cc(F)ccc2SCC(F)F)ccc1[N+](=O)[O-]	ZINC000122693031	823395693	/nfs/dbraw/zinc/39/56/93/823395693.db2.gz	LQETYXGMFXBUCR-UHFFFAOYSA-N	-1	3	386.351	4.352	20	5		GIBDHM
O=C([N-]c1ncn(C2CCCCC2)n1)c1csc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000182708144	822356329	/nfs/dbraw/zinc/35/63/29/822356329.db2.gz	WJVIWUIMVRLDNS-UHFFFAOYSA-N	-1	3	398.448	4.067	20	5		GIBDHM
CCOC(=O)c1cc(C(=O)[N-]c2cc(Cl)ccc2SC)cc([N+](=O)[O-])c1	ZINC000064848553	823899306	/nfs/dbraw/zinc/89/93/06/823899306.db2.gz	RBXXDSCPXDUUBY-UHFFFAOYSA-N	-1	3	394.836	4.399	20	5		GIBDHM
O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])s2)c2ccccc21	ZINC000011333023	818073380	/nfs/dbraw/zinc/07/33/80/818073380.db2.gz	GTRXZWRVIANVOR-WJDWOHSUSA-N	-1	3	376.393	4.134	20	5		GIBDHM
CN(C)Cc1c2ccccc2oc1C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000180785122	821456635	/nfs/dbraw/zinc/45/66/35/821456635.db2.gz	RKPVQJWPKHJBFT-UHFFFAOYSA-N	-1	3	389.795	4.014	20	5		GIBDHM
Cc1nc([N-]C(=O)c2cccc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n[nH]1	ZINC000186192469	822859642	/nfs/dbraw/zinc/85/96/42/822859642.db2.gz	ALDOAANKFQAJSK-UHFFFAOYSA-N	-1	3	389.824	4.078	20	5		GIBDHM
Cc1cccc(C(=O)[N-]c2nnc(SCc3cccs3)s2)c1[N+](=O)[O-]	ZINC000060934254	823567787	/nfs/dbraw/zinc/56/77/87/823567787.db2.gz	RIJMVDWHJWMWKZ-UHFFFAOYSA-N	-1	3	392.487	4.361	20	5		GIBDHM
C[C@H]1CCN(Cc2ccc(Oc3ccc(F)cc3)c([N+](=O)[O-])c2)C[C@H]1C(=O)[O-]	ZINC000575123658	823917374	/nfs/dbraw/zinc/91/73/74/823917374.db2.gz	RRQBNHFOOKGZPZ-SUMWQHHRSA-N	-1	3	388.395	4.069	20	5		GIBDHM
Cc1cccc([N+](=O)[O-])c1C(=O)[N-]c1nnc(-c2c(F)cccc2Cl)s1	ZINC000192526504	824020011	/nfs/dbraw/zinc/02/00/11/824020011.db2.gz	RFXVRJHPNLBSCY-UHFFFAOYSA-N	-1	3	392.799	4.467	20	5		GIBDHM
Cc1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cc2F)ccc1[N+](=O)[O-]	ZINC000410423225	823492963	/nfs/dbraw/zinc/49/29/63/823492963.db2.gz	XQVNYYIUPWTXFB-UHFFFAOYSA-N	-1	3	379.196	4.150	20	5		GIBDHM
COc1cc(C(=O)[N-]c2nc(-c3ccc(C)s3)ns2)cc([N+](=O)[O-])c1C	ZINC000191248195	823663088	/nfs/dbraw/zinc/66/30/88/823663088.db2.gz	ZCVNCEFRSLYLPG-UHFFFAOYSA-N	-1	3	390.446	4.053	20	5		GIBDHM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]c2nc(-c3ccc(C(C)(C)C)cc3)cs2)n1	ZINC000191455941	823687148	/nfs/dbraw/zinc/68/71/48/823687148.db2.gz	UTHUSELDBUXYNB-UHFFFAOYSA-N	-1	3	399.476	4.485	20	5		GIBDHM
CSc1cccc(C(=O)[N-]c2n[nH]c(-c3ccccc3Cl)n2)c1[N+](=O)[O-]	ZINC000188056961	823179161	/nfs/dbraw/zinc/17/91/61/823179161.db2.gz	KEBDGAARJZCUGJ-UHFFFAOYSA-N	-1	3	389.824	4.008	20	5		GIBDHM
CCOc1cc([N-]C(=O)c2oc(CC(C)C)nc2C)c([N+](=O)[O-])cc1OCC	ZINC000188398781	823233961	/nfs/dbraw/zinc/23/39/61/823233961.db2.gz	KBHYCNCMSLGGDW-UHFFFAOYSA-N	-1	3	391.424	4.139	20	5		GIBDHM
Cc1c(Cl)cc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1[N+](=O)[O-]	ZINC000180290214	822656848	/nfs/dbraw/zinc/65/68/48/822656848.db2.gz	RPYKXHQJEPSSGP-UHFFFAOYSA-N	-1	3	396.639	4.059	20	5		GIBDHM
O=C([N-]c1ccc(Br)c([N+](=O)[O-])c1)c1c(F)c(F)cc(F)c1F	ZINC000180618022	822713618	/nfs/dbraw/zinc/71/36/18/822713618.db2.gz	KLNGUTDZKYJPNI-UHFFFAOYSA-N	-1	3	393.090	4.166	20	5		GIBDHM
O=C([N-]c1cc([N+](=O)[O-])c(F)cc1F)c1c(F)cccc1Br	ZINC000175455249	822973451	/nfs/dbraw/zinc/97/34/51/822973451.db2.gz	ZQGSWIPBLXUFPL-UHFFFAOYSA-N	-1	3	375.100	4.027	20	5		GIBDHM
COc1cc(CNc2cnn(-c3ccc(Cl)cc3)c2C)c([N+](=O)[O-])cc1[O-]	ZINC000574719677	823808248	/nfs/dbraw/zinc/80/82/48/823808248.db2.gz	HXEJAWPPTZVTQF-UHFFFAOYSA-N	-1	3	388.811	4.069	20	5		GIBDHM
C[C@@H](OC(=O)c1cc(Cl)c(Cl)[n-]1)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000011810461	818121873	/nfs/dbraw/zinc/12/18/73/818121873.db2.gz	JAYNBNKBCAQAGQ-SSDOTTSWSA-N	-1	3	397.174	4.198	20	5		GIBDHM
Cc1cccc(C(=O)[N-]c2nnc(SCc3ccccc3)s2)c1[N+](=O)[O-]	ZINC000014582392	818252196	/nfs/dbraw/zinc/25/21/96/818252196.db2.gz	LKASEURASJUVLP-UHFFFAOYSA-N	-1	3	386.458	4.299	20	5		GIBDHM
O=C(Nc1ncccc1[O-])c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1	ZINC000022262166	818787639	/nfs/dbraw/zinc/78/76/39/818787639.db2.gz	YRAPBTMHOSVJLQ-UHFFFAOYSA-N	-1	3	398.806	4.213	20	5		GIBDHM
O=C([N-]c1n[nH]c(-c2cccc3ccccc32)n1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000043044239	821356541	/nfs/dbraw/zinc/35/65/41/821356541.db2.gz	NXDHKUOOTPYHHX-UHFFFAOYSA-N	-1	3	393.790	4.439	20	5		GIBDHM
O=C([N-]c1cc(-c2ccccc2)on1)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000181744381	821972734	/nfs/dbraw/zinc/97/27/34/821972734.db2.gz	CHGNFDDRGSBEJW-UHFFFAOYSA-N	-1	3	375.287	4.104	20	5		GIBDHM