smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	ZINC000005277172	181225795	/nfs/dbraw/zinc/22/57/95/181225795.db2.gz	WPPLZGQSVURXKV-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000000067943	431120499	/nfs/dbraw/zinc/12/04/99/431120499.db2.gz	LBAIGGSVFJQRSO-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1C	ZINC000004844685	181161918	/nfs/dbraw/zinc/16/19/18/181161918.db2.gz	WFEYYUXHLFZMHC-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
Cc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000005598847	181262508	/nfs/dbraw/zinc/26/25/08/181262508.db2.gz	JETWRXGTOKVBME-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Cl	ZINC000003885323	181052519	/nfs/dbraw/zinc/05/25/19/181052519.db2.gz	BEEGBBKQFMABPW-UHFFFAOYSA-N	-1	1	312.734	3.049	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1[N+](=O)[O-]	ZINC000003833336	181048156	/nfs/dbraw/zinc/04/81/56/181048156.db2.gz	YYKWIFSXENCINK-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000004289709	181093197	/nfs/dbraw/zinc/09/31/97/181093197.db2.gz	AFAJCQWYHASYPF-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
C[C@@]1(C(=O)[O-])CCC[C@@]2(C)c3cc(O)c([N+](=O)[O-])cc3CC[C@@H]12	ZINC000004127821	431296771	/nfs/dbraw/zinc/29/67/71/431296771.db2.gz	HYWTWHWYNWLRLS-HYVNUMGLSA-N	-1	1	319.357	3.395	50	5		DGBAMM
CCCc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000014255986	431588277	/nfs/dbraw/zinc/58/82/77/431588277.db2.gz	VLNIRTQSFMVXGF-UHFFFAOYSA-N	-1	1	320.370	3.348	50	5		DGBAMM
O=C([O-])C[C@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000004670091	181134560	/nfs/dbraw/zinc/13/45/60/181134560.db2.gz	CLOMOIBUCWDETA-AWEZNQCLSA-N	-1	1	318.304	3.040	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000003153676	431285212	/nfs/dbraw/zinc/28/52/12/431285212.db2.gz	PFHQXNWGHSJUIH-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1cc(C)c([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccccc1	ZINC000005345080	181232489	/nfs/dbraw/zinc/23/24/89/181232489.db2.gz	PRCYJGSEQUCBLA-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
O=[N+]([O-])c1ccc([O-])cc1CN1CCS[C@H]2CCCC[C@H]21	ZINC000241316860	432816046	/nfs/dbraw/zinc/81/60/46/432816046.db2.gz	LVNVKKGPPGKLRY-CABCVRRESA-N	-1	1	308.403	3.160	50	5		DGBAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000004289711	181092674	/nfs/dbraw/zinc/09/26/74/181092674.db2.gz	DBQDVYMLCXKHJI-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)S1	ZINC000003117410	431280718	/nfs/dbraw/zinc/28/07/18/431280718.db2.gz	JXQAMMMVMMJMHJ-KPKJPENVSA-N	-1	1	316.294	3.179	50	5		DGBAMM
Cc1cc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000004289702	181092823	/nfs/dbraw/zinc/09/28/23/181092823.db2.gz	XBWLUAKLAAIPGE-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000005343529	181231841	/nfs/dbraw/zinc/23/18/41/181231841.db2.gz	KEYFVQMBVWIOKS-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000003832891	181047724	/nfs/dbraw/zinc/04/77/24/181047724.db2.gz	KGHLCQBOJKOVFX-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cccc(F)c2)c([N+](=O)[O-])c1	ZINC000104230428	275033890	/nfs/dbraw/zinc/03/38/90/275033890.db2.gz	BMHGDEJBVWLUNH-UHFFFAOYSA-N	-1	1	322.208	3.294	50	5		DGBAMM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1	ZINC000000524707	431195333	/nfs/dbraw/zinc/19/53/33/431195333.db2.gz	DKQNMFVAGRQTEN-UHFFFAOYSA-N	-1	1	312.734	3.049	50	5		DGBAMM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000003833241	431292952	/nfs/dbraw/zinc/29/29/52/431292952.db2.gz	YCGGKFAOTXDDJN-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000004130683	181077544	/nfs/dbraw/zinc/07/75/44/181077544.db2.gz	DDVMUXLGTHKHKN-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1cc([N+](=O)[O-])cc(C)c1[N-]S(=O)(=O)c1ccccc1	ZINC000071769586	191030055	/nfs/dbraw/zinc/03/00/55/191030055.db2.gz	LSKOAJUETCTDEH-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
O=c1oc2ccccc2cc1-c1nc2cc([N+](=O)[O-])ccc2[n-]1	ZINC000020615286	285229093	/nfs/dbraw/zinc/22/90/93/285229093.db2.gz	VPUBHDNOALUVRW-UHFFFAOYSA-N	-1	1	307.265	3.245	50	5		DGBAMM
O=C1[N-]C(=O)C(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)S1	ZINC000001787746	431239413	/nfs/dbraw/zinc/23/94/13/431239413.db2.gz	JVYYPXLIZVPGAD-KPKJPENVSA-N	-1	1	316.294	3.179	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)c(C)c1	ZINC000007405667	431345641	/nfs/dbraw/zinc/34/56/41/431345641.db2.gz	QPPHRFJSVQHMGU-UHFFFAOYSA-N	-1	1	324.333	3.152	50	5		DGBAMM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)S1	ZINC000003150878	180986208	/nfs/dbraw/zinc/98/62/08/180986208.db2.gz	JDLCFBRHUOWHRN-KPKJPENVSA-N	-1	1	316.294	3.179	50	5		DGBAMM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000005249538	181221915	/nfs/dbraw/zinc/22/19/15/181221915.db2.gz	OWBJECUCTDPYSK-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1C	ZINC000000176832	431140191	/nfs/dbraw/zinc/14/01/91/431140191.db2.gz	WKWMINFMXLJMAL-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1C	ZINC000003832512	181048073	/nfs/dbraw/zinc/04/80/73/181048073.db2.gz	VAODENZUKGGONH-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
Cc1ccc(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000004134558	181077601	/nfs/dbraw/zinc/07/76/01/181077601.db2.gz	QLMOPKDAUOVGRZ-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
O=c1c2cc(Br)ccc2oc2cc([O-])cc(O)c12	ZINC000030819579	431746565	/nfs/dbraw/zinc/74/65/65/431746565.db2.gz	UELZRCNDZXKHEF-UHFFFAOYSA-N	-1	1	307.099	3.120	50	5	biogenic	DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1	ZINC000000293681	180750184	/nfs/dbraw/zinc/75/01/84/180750184.db2.gz	LWTSHXRYWUUXMO-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2cc(C)c([N+](=O)[O-])cc2C)cc1	ZINC000004526665	181120161	/nfs/dbraw/zinc/12/01/61/181120161.db2.gz	MCVFINDDXZNSMN-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000005557817	181256911	/nfs/dbraw/zinc/25/69/11/181256911.db2.gz	XEXRIPHVBTXTMZ-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
O=[N+]([O-])c1ccc([O-])cc1CN1CCS[C@H]2CCCC[C@@H]21	ZINC000093689883	400253866	/nfs/dbraw/zinc/25/38/66/400253866.db2.gz	LVNVKKGPPGKLRY-GJZGRUSLSA-N	-1	1	308.403	3.160	50	5		DGBAMM
C[C@@]12CCC[C@](C)(C(=O)[O-])[C@@H]1CCc1cc([N+](=O)[O-])c(O)cc12	ZINC000004127823	181076754	/nfs/dbraw/zinc/07/67/54/181076754.db2.gz	HYWTWHWYNWLRLS-PVAVHDDUSA-N	-1	1	319.357	3.395	50	5		DGBAMM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000059852	431117412	/nfs/dbraw/zinc/11/74/12/431117412.db2.gz	YJQBCUWRWHQCEJ-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccccc1Cl	ZINC000000186126	431142560	/nfs/dbraw/zinc/14/25/60/431142560.db2.gz	FMOYBIMMIKTZPE-UHFFFAOYSA-N	-1	1	312.734	3.049	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c([N+](=O)[O-])c2)cc1C	ZINC000002626868	431261691	/nfs/dbraw/zinc/26/16/91/431261691.db2.gz	HDNKAVXGFGXSRZ-UHFFFAOYSA-N	-1	1	324.333	3.152	50	5		DGBAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)cc1	ZINC000003833191	181047556	/nfs/dbraw/zinc/04/75/56/181047556.db2.gz	JJRRVXYFBDBPKA-UHFFFAOYSA-N	-1	1	320.370	3.266	50	5		DGBAMM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1	ZINC000004748124	181147644	/nfs/dbraw/zinc/14/76/44/181147644.db2.gz	HLZQHQRQJIRVDH-UHFFFAOYSA-N	-1	1	312.734	3.049	50	5		DGBAMM
Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000000245832	431152761	/nfs/dbraw/zinc/15/27/61/431152761.db2.gz	MOFCRSVSBIEORS-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
CCCc1cc(=O)[n-]c(S[C@H](C)c2cccc([N+](=O)[O-])c2)n1	ZINC000007062386	431333136	/nfs/dbraw/zinc/33/31/36/431333136.db2.gz	HGGSRPNXHWCXKM-SNVBAGLBSA-N	-1	1	319.386	3.484	50	5		DGBAMM
Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1C	ZINC000014398087	431590171	/nfs/dbraw/zinc/59/01/71/431590171.db2.gz	FGMAQFPSZXCXMN-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
O=c1[nH]c2ccc([N+](=O)[O-])cc2nc1C=C([O-])c1ccccc1	ZINC000101712644	431987845	/nfs/dbraw/zinc/98/78/45/431987845.db2.gz	STBHFUGEKVMJSL-DHDCSXOGSA-N	-1	1	309.281	3.300	50	5		DGBAMM
C[C@]1(C(=O)[O-])CCC[C@]2(C)c3cc(O)c([N+](=O)[O-])cc3CC[C@H]12	ZINC000000345514	300780295	/nfs/dbraw/zinc/78/02/95/300780295.db2.gz	HYWTWHWYNWLRLS-UAGQMJEPSA-N	-1	1	319.357	3.395	50	5		DGBAMM
CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1cc(Cl)ccc1[O-]	ZINC000029829033	182578241	/nfs/dbraw/zinc/57/82/41/182578241.db2.gz	INKUWJYMPAQZEN-UHFFFAOYSA-N	-1	1	320.732	3.226	50	5		DGBAMM
CSc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1	ZINC000002873758	431276088	/nfs/dbraw/zinc/27/60/88/431276088.db2.gz	QFIMSQBUDJYEOL-UHFFFAOYSA-N	-1	1	324.383	3.118	50	5		DGBAMM
CCCc1cc(=O)[n-]c(SCc2cccc([N+](=O)[O-])c2C)n1	ZINC000046875588	183572107	/nfs/dbraw/zinc/57/21/07/183572107.db2.gz	YXHIWYFVJWMEHE-UHFFFAOYSA-N	-1	1	319.386	3.231	50	5		DGBAMM
Cc1ccc(-c2nonc2[N-]C(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000008916000	431419084	/nfs/dbraw/zinc/41/90/84/431419084.db2.gz	UKGLCSKZHDILDX-UHFFFAOYSA-N	-1	1	324.296	3.206	50	5		DGBAMM
O=C(Nc1cc(F)ccc1[O-])c1cccc(Cl)c1[N+](=O)[O-]	ZINC000088403520	185248656	/nfs/dbraw/zinc/24/86/56/185248656.db2.gz	SQTGNTXMGDQJOQ-UHFFFAOYSA-N	-1	1	310.668	3.345	50	5		DGBAMM
O=C1[N-]C(=S)NC1=Cc1c2ccccc2cc2ccccc21	ZINC000002029379	257219411	/nfs/dbraw/zinc/21/94/11/257219411.db2.gz	MPCVOKZZRKEXSD-YBEGLDIGSA-N	-1	1	304.374	3.338	50	5		DGBAMM
CCc1cccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2C)c1	ZINC000004353982	181102101	/nfs/dbraw/zinc/10/21/01/181102101.db2.gz	CSGGWOSFFKHHQE-UHFFFAOYSA-N	-1	1	320.370	3.266	50	5		DGBAMM
Cc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1C	ZINC000005343650	181231896	/nfs/dbraw/zinc/23/18/96/181231896.db2.gz	ZZVOHQMQEZJMEQ-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1Cl	ZINC000000272279	431159068	/nfs/dbraw/zinc/15/90/68/431159068.db2.gz	OAEWODJOQXHPGS-UHFFFAOYSA-N	-1	1	312.734	3.049	50	5		DGBAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000003832974	181047843	/nfs/dbraw/zinc/04/78/43/181047843.db2.gz	WTNQCUBQGHMFCB-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1C	ZINC000005059716	181198463	/nfs/dbraw/zinc/19/84/63/181198463.db2.gz	PNHJEMHGZWHSEJ-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])cc(Cl)c1[O-]	ZINC000006764399	181385699	/nfs/dbraw/zinc/38/56/99/181385699.db2.gz	WYOMBPVVHGPSNX-ONEGZZNKSA-N	-1	1	310.693	3.429	50	5		DGBAMM
O=C([O-])C[C@@H](NCc1ccccc1[N+](=O)[O-])c1ccc(F)cc1	ZINC000004670092	181134863	/nfs/dbraw/zinc/13/48/63/181134863.db2.gz	CLOMOIBUCWDETA-CQSZACIVSA-N	-1	1	318.304	3.040	50	5		DGBAMM
O=c1cc(C2CCCCC2)nc(-c2cccc([N+](=O)[O-])c2[O-])o1	ZINC000022241960	182315339	/nfs/dbraw/zinc/31/53/39/182315339.db2.gz	JHJURMKVOBUWKO-UHFFFAOYSA-N	-1	1	316.313	3.363	50	5		DGBAMM
COc1cc(C[N@H+]2CCC[C@H]3CCCC[C@H]32)cc([N+](=O)[O-])c1[O-]	ZINC000005577956	257242901	/nfs/dbraw/zinc/24/29/01/257242901.db2.gz	JSPMAJLMBMBAHE-ZIAGYGMSSA-N	-1	1	320.389	3.464	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)cc1C	ZINC000003581246	181036914	/nfs/dbraw/zinc/03/69/14/181036914.db2.gz	FFJQUMSWYLQNOS-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C	ZINC000004289710	181093176	/nfs/dbraw/zinc/09/31/76/181093176.db2.gz	IHSYIEXTJLHNDD-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
CCc1nc(SCc2ccc([N+](=O)[O-])cc2)[n-]c(=O)c1C	ZINC000521394938	257241190	/nfs/dbraw/zinc/24/11/90/257241190.db2.gz	BVDSHUPGUXZCRG-UHFFFAOYSA-N	-1	1	305.359	3.254	50	5		DGBAMM
O=C([N-]c1cc(F)ccc1F)c1c(F)ccc([N+](=O)[O-])c1F	ZINC000000165791	431137347	/nfs/dbraw/zinc/13/73/47/431137347.db2.gz	AVOHHYLBZWZXDT-UHFFFAOYSA-N	-1	1	314.194	3.404	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000003355941	181011333	/nfs/dbraw/zinc/01/13/33/181011333.db2.gz	OBNBDIVWIQAFNA-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
CC(C)c1onc(C(=O)[N-]c2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000004937533	181175591	/nfs/dbraw/zinc/17/55/91/181175591.db2.gz	POXDBLFINPHGRI-UHFFFAOYSA-N	-1	1	311.244	3.237	50	5		DGBAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000004957254	181179560	/nfs/dbraw/zinc/17/95/60/181179560.db2.gz	JTLFCKQXSSVHAZ-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
CCOc1cccc([N+](=O)[O-])c1C(=O)Nc1cc(F)ccc1[O-]	ZINC000239654442	202454008	/nfs/dbraw/zinc/45/40/08/202454008.db2.gz	BNNYQLCHWJHTNX-UHFFFAOYSA-N	-1	1	320.276	3.091	50	5		DGBAMM
Cc1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000004134557	181077431	/nfs/dbraw/zinc/07/74/31/181077431.db2.gz	RHQCHEWZTQWXMU-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1ccc(C([O-])=Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000004776270	181151409	/nfs/dbraw/zinc/15/14/09/181151409.db2.gz	RWIBJZCXKQTCFR-UHFFFAOYSA-N	-1	1	300.270	3.237	50	5		DGBAMM
Cc1c(C)c([N+](=O)[O-])ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000005000177	181188080	/nfs/dbraw/zinc/18/80/80/181188080.db2.gz	FSBBUUDVSOYOEF-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
C[C@@]12CCC[C@](C)(C(=O)[O-])[C@H]1CCc1cc([N+](=O)[O-])c(O)cc12	ZINC000017185265	182079575	/nfs/dbraw/zinc/07/95/75/182079575.db2.gz	HYWTWHWYNWLRLS-XIRDDKMYSA-N	-1	1	319.357	3.395	50	5		DGBAMM
COc1ccc(-c2c/c(=N\[O-])c3cc([N+](=O)[O-])ccc3o2)cc1	ZINC000100670711	274103518	/nfs/dbraw/zinc/10/35/18/274103518.db2.gz	HXLLZRYBDZSBSX-SAPNQHFASA-N	-1	1	312.281	3.307	50	5		DGBAMM
C[C@]1(C(=O)[O-])CCC[C@]2(C)c3cc(O)c([N+](=O)[O-])cc3CC[C@@H]12	ZINC000004127824	300780079	/nfs/dbraw/zinc/78/00/79/300780079.db2.gz	HYWTWHWYNWLRLS-OIISXLGYSA-N	-1	1	319.357	3.395	50	5		DGBAMM
O=[N+]([O-])c1ccc([O-])cc1CN1CCS[C@@H]2CCCC[C@@H]21	ZINC000093689884	400253563	/nfs/dbraw/zinc/25/35/63/400253563.db2.gz	LVNVKKGPPGKLRY-LSDHHAIUSA-N	-1	1	308.403	3.160	50	5		DGBAMM
CCCc1cc(=O)[n-]c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)n1	ZINC000007062383	431334145	/nfs/dbraw/zinc/33/41/45/431334145.db2.gz	HGGSRPNXHWCXKM-JTQLQIEISA-N	-1	1	319.386	3.484	50	5		DGBAMM
Cc1ccccc1[N-]c1c2nonc2c([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004016558	534972928	/nfs/dbraw/zinc/97/29/28/534972928.db2.gz	LLXACWOSPGXNRS-UHFFFAOYSA-N	-1	1	315.245	3.091	50	5		DGBAMM
CCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000004289713	181092726	/nfs/dbraw/zinc/09/27/26/181092726.db2.gz	DJRRZERDROOEKD-UHFFFAOYSA-N	-1	1	320.370	3.266	50	5		DGBAMM
O=C([N-]c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])o1	ZINC000002223038	431248124	/nfs/dbraw/zinc/24/81/24/431248124.db2.gz	WQHUIJRWDOMEPD-UHFFFAOYSA-N	-1	1	311.637	3.002	50	5		DGBAMM
O=[N+]([O-])c1ccc([O-])cc1CN1CCS[C@@H]2CCCC[C@H]21	ZINC000241316861	432815828	/nfs/dbraw/zinc/81/58/28/432815828.db2.gz	LVNVKKGPPGKLRY-HUUCEWRRSA-N	-1	1	308.403	3.160	50	5		DGBAMM
Cc1cc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000000567124	331463698	/nfs/dbraw/zinc/46/36/98/331463698.db2.gz	GHURCFUFYSQLIM-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
Cc1cccc([N-]c2c3nonc3c([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000004409475	534972834	/nfs/dbraw/zinc/97/28/34/534972834.db2.gz	JJCKLYQNBIRBAH-UHFFFAOYSA-N	-1	1	315.245	3.091	50	5		DGBAMM
Cc1cccc(C)c1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000004742751	181146208	/nfs/dbraw/zinc/14/62/08/181146208.db2.gz	FTESXVDXFNWPQL-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
Cc1cc(C)cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000004980342	181183655	/nfs/dbraw/zinc/18/36/55/181183655.db2.gz	LFRCRYQDIWKWTM-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
C[C@@]1(C(=O)[O-])CCC[C@]2(C)c3cc(O)c([N+](=O)[O-])cc3CC[C@@H]12	ZINC000004127822	181076831	/nfs/dbraw/zinc/07/68/31/181076831.db2.gz	HYWTWHWYNWLRLS-DJIMGWMZSA-N	-1	1	319.357	3.395	50	5		DGBAMM
Cc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1	ZINC000004844558	181161902	/nfs/dbraw/zinc/16/19/02/181161902.db2.gz	WLFAMTLWGNGGBB-UHFFFAOYSA-N	-1	1	306.343	3.012	50	5		DGBAMM
CCc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1C	ZINC000004844794	181162095	/nfs/dbraw/zinc/16/20/95/181162095.db2.gz	XIWLFHUOFMMGSH-UHFFFAOYSA-N	-1	1	320.370	3.266	50	5		DGBAMM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(C)c1	ZINC000005234079	181219043	/nfs/dbraw/zinc/21/90/43/181219043.db2.gz	VTJAXYSHLLEGKM-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM
O=C1[N-]C(=O)C(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)S1	ZINC000013549069	181860472	/nfs/dbraw/zinc/86/04/72/181860472.db2.gz	JXQAMMMVMMJMHJ-GHXNOFRVSA-N	-1	1	316.294	3.179	50	5		DGBAMM
O=c1nc(-c2ccc([N+](=O)[O-])o2)[n-]c2sc3c(c21)CCCC3	ZINC000000262538	285193942	/nfs/dbraw/zinc/19/39/42/285193942.db2.gz	VSJRTAVENJEITE-UHFFFAOYSA-N	-1	1	317.326	3.032	50	5		DGBAMM
CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000014257027	431588708	/nfs/dbraw/zinc/58/87/08/431588708.db2.gz	VMOUZQOTFRIMDA-UHFFFAOYSA-N	-1	1	320.370	3.266	50	5		DGBAMM
Cc1ccc(S(=O)(=O)[N-]c2c(C)cc([N+](=O)[O-])cc2C)cc1	ZINC000004775708	280932644	/nfs/dbraw/zinc/93/26/44/280932644.db2.gz	FMQFWJMJTOKIET-UHFFFAOYSA-N	-1	1	320.370	3.321	50	5		DGBAMM