smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(F)(F)F	ZINC000436149922	532626126	/nfs/dbraw/zinc/62/61/26/532626126.db2.gz	ITVUBCIDBGEZJG-UHFFFAOYSA-N	-1	2	380.304	2.162	20	5		GEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000738072404	600302916	/nfs/dbraw/zinc/30/29/16/600302916.db2.gz	JOYZQLACDIOBBF-UHFFFAOYSA-N	-1	2	381.366	2.172	20	5		GEBDLM
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2	ZINC000740099664	601977370	/nfs/dbraw/zinc/97/73/70/601977370.db2.gz	PKCJWSYRPLLKCY-UHFFFAOYSA-N	-1	2	398.422	2.197	20	5		GEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000739872909	602245561	/nfs/dbraw/zinc/24/55/61/602245561.db2.gz	KXBVJWVFXREWAI-UHFFFAOYSA-N	-1	2	393.377	2.445	20	5		GEBDLM
CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000833663295	605204719	/nfs/dbraw/zinc/20/47/19/605204719.db2.gz	UCLCHJMXERPIRX-UHFFFAOYSA-N	-1	2	396.377	2.258	20	5		GEBDLM
CCCCn1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c1C	ZINC000833651687	605331251	/nfs/dbraw/zinc/33/12/51/605331251.db2.gz	VUYNKCMAZXAAKW-UHFFFAOYSA-N	-1	2	382.398	2.399	20	5		GEBDLM
Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000530714359	600690827	/nfs/dbraw/zinc/69/08/27/600690827.db2.gz	GBPUZQDJIFSHPU-UHFFFAOYSA-N	-1	2	382.398	2.488	20	5		GEBDLM
Cc1cc(F)c(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000738229306	601047454	/nfs/dbraw/zinc/04/74/54/601047454.db2.gz	JYRBPBOMCNAGSZ-UHFFFAOYSA-N	-1	2	384.341	2.307	20	5		GEBDLM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2	ZINC000740047685	601976237	/nfs/dbraw/zinc/97/62/37/601976237.db2.gz	GMKIGECRBZRNNF-UHFFFAOYSA-N	-1	2	398.422	2.197	20	5		GEBDLM
O=C([O-])c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)cc([N+](=O)[O-])c1	ZINC000484540015	600688809	/nfs/dbraw/zinc/68/88/09/600688809.db2.gz	MJAJENWXVDVSLK-UHFFFAOYSA-N	-1	2	388.361	2.280	20	5		GEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000739870692	602656805	/nfs/dbraw/zinc/65/68/05/602656805.db2.gz	CDYVISVETKJOMB-UHFFFAOYSA-N	-1	2	381.366	2.172	20	5		GEBDLM
Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000832905160	604625137	/nfs/dbraw/zinc/62/51/37/604625137.db2.gz	FOTODZLVJWZVRP-UHFFFAOYSA-N	-1	2	385.423	2.486	20	5		GEBDLM
O=C([O-])CCc1csc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	ZINC000833243826	604626515	/nfs/dbraw/zinc/62/65/15/604626515.db2.gz	LVKRWHFUWRTOQV-UHFFFAOYSA-N	-1	2	375.359	2.008	20	5		GEBDLM
COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000831391432	600690717	/nfs/dbraw/zinc/69/07/17/600690717.db2.gz	YXZQJOXORSLCCJ-UHFFFAOYSA-N	-1	2	398.324	2.020	20	5		GEBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)c1F	ZINC000832905913	602113282	/nfs/dbraw/zinc/11/32/82/602113282.db2.gz	YTPUSWKIIIRMNS-UHFFFAOYSA-N	-1	2	384.341	2.307	20	5		GEBDLM
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc(CCC(=O)[O-])cs1	ZINC000830259923	604624031	/nfs/dbraw/zinc/62/40/31/604624031.db2.gz	KQKLSCQYPRUEAU-UHFFFAOYSA-N	-1	2	385.423	2.432	20	5		GEBDLM
COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc([N+](=O)[O-])c1	ZINC000745979525	600690910	/nfs/dbraw/zinc/69/09/10/600690910.db2.gz	UQWYCRYAAZOBAL-UHFFFAOYSA-N	-1	2	398.324	2.020	20	5		GEBDLM
Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)cc1[N+](=O)[O-]	ZINC000740151310	601977475	/nfs/dbraw/zinc/97/74/75/601977475.db2.gz	YZNODVSHRWQJRE-UHFFFAOYSA-N	-1	2	398.422	2.197	20	5		GEBDLM
COc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN3C(=O)[O-])c([N+](=O)[O-])c1	ZINC000739931259	602245709	/nfs/dbraw/zinc/24/57/09/602245709.db2.gz	FAJIXTHGEQSXMD-UHFFFAOYSA-N	-1	2	393.377	2.445	20	5		GEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(CNC(=O)[O-])c1	ZINC000739935970	602655500	/nfs/dbraw/zinc/65/55/00/602655500.db2.gz	ZNZCHZARYSYOQZ-UHFFFAOYSA-N	-1	2	381.366	2.172	20	5		GEBDLM
CC(C)(C)c1ncc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])cn1	ZINC000833450427	605326405	/nfs/dbraw/zinc/32/64/05/605326405.db2.gz	BEESAIOWOQNREK-UHFFFAOYSA-N	-1	2	380.382	2.181	20	5		GEBDLM
COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1csc([N+](=O)[O-])c1	ZINC000768887343	653136182	/nfs/dbraw/zinc/13/61/82/653136182.db2.gz	HYXCWXVSKHROBT-UHFFFAOYSA-N	-1	2	386.407	2.483	20	5		GEBDLM
C[C@@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1[nH+]ccn1C	ZINC000595382935	532561982	/nfs/dbraw/zinc/56/19/82/532561982.db2.gz	LPJVPGGXLSFSFC-MRVPVSSYSA-N	-1	2	389.231	2.130	20	5		GEBDLM
COC(=O)c1cc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000831327311	600690707	/nfs/dbraw/zinc/69/07/07/600690707.db2.gz	HGNIKJFTTDCIPZ-UHFFFAOYSA-N	-1	2	398.349	2.090	20	5		GEBDLM
O=C([O-])c1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)cc([N+](=O)[O-])c1	ZINC000833101491	600975181	/nfs/dbraw/zinc/97/51/81/600975181.db2.gz	UPFYJRFRIQDWNT-UHFFFAOYSA-N	-1	2	396.352	2.235	20	5		GEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000829517204	604014265	/nfs/dbraw/zinc/01/42/65/604014265.db2.gz	ZLQFCGXLVXVKBZ-UHFFFAOYSA-N	-1	2	393.377	2.445	20	5		GEBDLM
COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000831225907	600690888	/nfs/dbraw/zinc/69/08/88/600690888.db2.gz	CSDLKPVANCPYME-UHFFFAOYSA-N	-1	2	394.361	2.189	20	5		GEBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)c1C	ZINC000832958364	602197026	/nfs/dbraw/zinc/19/70/26/602197026.db2.gz	YTGAIMHNFJCXLG-UHFFFAOYSA-N	-1	2	380.378	2.476	20	5		GEBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)c1C	ZINC000832905136	604625149	/nfs/dbraw/zinc/62/51/49/604625149.db2.gz	DKHKSOBSFSLDDK-UHFFFAOYSA-N	-1	2	385.423	2.486	20	5		GEBDLM
Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000542737124	532777943	/nfs/dbraw/zinc/77/79/43/532777943.db2.gz	DHBRBCFROJZFDZ-UHFFFAOYSA-N	-1	2	376.297	2.063	20	5		GEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832481774	600690405	/nfs/dbraw/zinc/69/04/05/600690405.db2.gz	QHZKZFYLDVMUAI-UHFFFAOYSA-N	-1	2	397.321	2.011	20	5		GEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cccc2c1CCN2C(=O)[O-]	ZINC000829225636	604013861	/nfs/dbraw/zinc/01/38/61/604013861.db2.gz	RRVRLUXJWMXQAY-UHFFFAOYSA-N	-1	2	393.377	2.445	20	5		GEBDLM
CCOc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2O)ccc1OCC(=O)[O-]	ZINC000833663684	604819007	/nfs/dbraw/zinc/81/90/07/604819007.db2.gz	UQJAWSPAKHBRFH-UHFFFAOYSA-N	-1	2	376.321	2.415	20	5		GEBDLM
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@H]1C[NH2+]CCC1(F)F	ZINC000567862134	532666815	/nfs/dbraw/zinc/66/68/15/532666815.db2.gz	NTZPSVQRLPBOQR-VIFPVBQESA-N	-1	2	390.195	2.177	20	5		GEBDLM
CCN1CCc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3[N+](=O)[O-])cc21	ZINC000737123348	599801741	/nfs/dbraw/zinc/80/17/41/599801741.db2.gz	SZZADHKKNNVBKC-UHFFFAOYSA-N	-1	2	391.405	2.476	20	5		GEBDLM
COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000485221872	600690646	/nfs/dbraw/zinc/69/06/46/600690646.db2.gz	IRWRDOTXSZOJHX-UHFFFAOYSA-N	-1	2	398.324	2.020	20	5		GEBDLM
O=C([O-])CC[C@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000596035531	652750822	/nfs/dbraw/zinc/75/08/22/652750822.db2.gz	MSILMQDHLUUPDN-SSDOTTSWSA-N	-1	2	388.295	2.056	20	5		GEBDLM
COc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C(=O)[O-])cnc1Cl	ZINC000776561457	653357655	/nfs/dbraw/zinc/35/76/55/653357655.db2.gz	JZXKRVMQELEHMJ-UHFFFAOYSA-N	-1	2	387.757	2.151	20	5		GEBDLM
Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])s1	ZINC000369078711	532936876	/nfs/dbraw/zinc/93/68/76/532936876.db2.gz	ZUZGEVDRSTYGKE-UHFFFAOYSA-N	-1	2	381.395	2.256	20	5		GEBDLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1	ZINC000511710511	600006322	/nfs/dbraw/zinc/00/63/22/600006322.db2.gz	RKLWCYHSGYVUQL-UHFFFAOYSA-N	-1	2	382.350	2.111	20	5		GEBDLM
Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2[N+](=O)[O-])ccc1N(C)C	ZINC000738463685	600105596	/nfs/dbraw/zinc/10/55/96/600105596.db2.gz	POZOUMRQMMUQCH-UHFFFAOYSA-N	-1	2	379.394	2.468	20	5		GEBDLM
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2	ZINC000740173507	601977245	/nfs/dbraw/zinc/97/72/45/601977245.db2.gz	DTBHGSZXQRCGDO-UHFFFAOYSA-N	-1	2	398.422	2.197	20	5		GEBDLM
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)c1C	ZINC000832957405	604622887	/nfs/dbraw/zinc/62/28/87/604622887.db2.gz	DKUIYLPSRXSTTP-UHFFFAOYSA-N	-1	2	385.423	2.486	20	5		GEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1	ZINC000751141387	601830097	/nfs/dbraw/zinc/83/00/97/601830097.db2.gz	FYTDZGXTUDWAIC-UHFFFAOYSA-N	-1	2	388.304	2.381	20	5		GEBDLM
CCn1cc[nH+]c1CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br	ZINC000295266212	532426957	/nfs/dbraw/zinc/42/69/57/532426957.db2.gz	DNSLVJJDMFXSAG-UHFFFAOYSA-N	-1	2	389.231	2.052	20	5		GEBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)cc1[N+](=O)[O-]	ZINC000738396298	601047296	/nfs/dbraw/zinc/04/72/96/601047296.db2.gz	AXVFVDBNYZHFEN-UHFFFAOYSA-N	-1	2	394.340	2.418	20	5		GEBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OCC(=O)[O-])c2)c1F	ZINC000832905455	602113286	/nfs/dbraw/zinc/11/32/86/602113286.db2.gz	MNVUCEBFXMKSAF-UHFFFAOYSA-N	-1	2	384.341	2.307	20	5		GEBDLM
CCc1nc(NS(=O)(=O)CCc2ccccc2[N+](=O)[O-])sc1C(=O)[O-]	ZINC000833675424	605205040	/nfs/dbraw/zinc/20/50/40/605205040.db2.gz	OJLMYKHKBDZXKC-UHFFFAOYSA-N	-1	2	385.423	2.296	20	5		GEBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1	ZINC000157380810	531741093	/nfs/dbraw/zinc/74/10/93/531741093.db2.gz	CBVMLEODQHATPJ-UHFFFAOYSA-N	-1	2	380.304	2.168	20	5		GEBDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1OC	ZINC000467325245	600897672	/nfs/dbraw/zinc/89/76/72/600897672.db2.gz	YOCOSDJQMGRGFR-UHFFFAOYSA-N	-1	2	396.377	2.419	20	5		GEBDLM
Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2n1	ZINC000738345734	600102511	/nfs/dbraw/zinc/10/25/11/600102511.db2.gz	RFTOISBSFOPJBX-UHFFFAOYSA-N	-1	2	394.390	2.407	20	5		GEBDLM
O=C([O-])c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)c[nH]1	ZINC000509612416	600674462	/nfs/dbraw/zinc/67/44/62/600674462.db2.gz	YIIHFEFZPNOZPA-UHFFFAOYSA-N	-1	2	377.281	2.023	20	5		GEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000832097490	600690761	/nfs/dbraw/zinc/69/07/61/600690761.db2.gz	BVRNGMANKNHPOB-UHFFFAOYSA-N	-1	2	397.321	2.011	20	5		GEBDLM
Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(CCC(=O)[O-])cs2)cc1C	ZINC000832904931	604625048	/nfs/dbraw/zinc/62/50/48/604625048.db2.gz	IGEZNNCMRPSREL-UHFFFAOYSA-N	-1	2	385.423	2.486	20	5		GEBDLM
Cc1onc(OC(F)F)c1NS(=O)(=O)c1cc([N+](=O)[O-])c([O-])cc1C	ZINC000788132728	653750453	/nfs/dbraw/zinc/75/04/53/653750453.db2.gz	RWMZTPFMHZKGDX-UHFFFAOYSA-N	-1	2	379.297	2.307	20	5		GEBDLM
Cc1cc([O-])c([N+](=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C(F)(F)F	ZINC000463439286	532373270	/nfs/dbraw/zinc/37/32/70/532373270.db2.gz	JJJZOVFKNRKCFY-UHFFFAOYSA-N	-1	2	380.304	2.162	20	5		GEBDLM
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2OC)c1	ZINC000511712038	600006406	/nfs/dbraw/zinc/00/64/06/600006406.db2.gz	KLPIZBKMPLEMTF-UHFFFAOYSA-N	-1	2	382.350	2.111	20	5		GEBDLM
Cc1cn2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3[N+](=O)[O-])ccc2[nH+]1	ZINC000738797896	600513178	/nfs/dbraw/zinc/51/31/78/600513178.db2.gz	CPNMFEHEVODRLR-UHFFFAOYSA-N	-1	2	376.350	2.050	20	5		GEBDLM
Cc1cc(F)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000832887232	600691360	/nfs/dbraw/zinc/69/13/60/600691360.db2.gz	JODYJFDPBLKFML-UHFFFAOYSA-N	-1	2	399.312	2.450	20	5		GEBDLM
COc1ccc(S(=O)(=O)Nc2cccc(CNC(=O)[O-])c2)c([N+](=O)[O-])c1	ZINC000739932150	602655813	/nfs/dbraw/zinc/65/58/13/602655813.db2.gz	JPNBDJYKRKVHJP-UHFFFAOYSA-N	-1	2	381.366	2.172	20	5		GEBDLM
COc1cc(OC)c(NS(=O)(=O)c2csc([N+](=O)[O-])c2)c(C(=O)[O-])c1	ZINC000768882658	653135100	/nfs/dbraw/zinc/13/51/00/653135100.db2.gz	QWQGIKOVGPTGAG-UHFFFAOYSA-N	-1	2	388.379	2.173	20	5		GEBDLM
O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1ccccc1Cl	ZINC000327702938	532792462	/nfs/dbraw/zinc/79/24/62/532792462.db2.gz	OGPBLPDZVDGNFO-GFCCVEGCSA-N	-1	2	388.760	2.492	20	5		GEBDLM
O=C([O-])[C@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cc(F)ccc1F	ZINC000614337104	599812887	/nfs/dbraw/zinc/81/28/87/599812887.db2.gz	FRKQWEACKKKIAY-GFCCVEGCSA-N	-1	2	390.295	2.116	20	5		GEBDLM
Cc1cc(C(=O)[O-])c2sc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])nc2n1	ZINC000738345081	600102424	/nfs/dbraw/zinc/10/24/24/600102424.db2.gz	HFYFDLZWZNDVRH-UHFFFAOYSA-N	-1	2	394.390	2.407	20	5		GEBDLM
COc1ccc(OC)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c1	ZINC000485204525	600688948	/nfs/dbraw/zinc/68/89/48/600688948.db2.gz	KHXJRRLWTSQFRC-UHFFFAOYSA-N	-1	2	382.350	2.111	20	5		GEBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccn(CCC(F)(F)F)n2)ccc1[O-]	ZINC000424091041	648612497	/nfs/dbraw/zinc/61/24/97/648612497.db2.gz	YXRXUSVLFBMYAU-UHFFFAOYSA-N	-1	2	380.304	2.250	20	5		GEBDLM
CCn1ncc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1C(F)(F)F	ZINC000410404920	532739909	/nfs/dbraw/zinc/73/99/09/532739909.db2.gz	PJAUHUVWCHVKHC-UHFFFAOYSA-N	-1	2	380.304	2.336	20	5		GEBDLM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1nc2c(s1)CN(C(=O)[O-])CC2	ZINC000740161575	601977594	/nfs/dbraw/zinc/97/75/94/601977594.db2.gz	ZGBURBUKVRWLKH-UHFFFAOYSA-N	-1	2	398.422	2.197	20	5		GEBDLM
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1[nH+]ccn1C	ZINC000595383951	532562465	/nfs/dbraw/zinc/56/24/65/532562465.db2.gz	RWGCBYSZHUWHOO-MRVPVSSYSA-N	-1	2	389.231	2.130	20	5		GEBDLM
O=C([O-])[C@@H](NS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])c1cc(F)ccc1F	ZINC000614337106	599813217	/nfs/dbraw/zinc/81/32/17/599813217.db2.gz	FRKQWEACKKKIAY-LBPRGKRZSA-N	-1	2	390.295	2.116	20	5		GEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000738071854	599853069	/nfs/dbraw/zinc/85/30/69/599853069.db2.gz	BMQLODDJGJQDJM-UHFFFAOYSA-N	-1	2	380.378	2.421	20	5		GEBDLM
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc2c(c1)CCN2C(=O)[O-]	ZINC000739934929	602245568	/nfs/dbraw/zinc/24/55/68/602245568.db2.gz	GJQJQIAKDUIEOH-UHFFFAOYSA-N	-1	2	393.377	2.445	20	5		GEBDLM
CCOc1ccc(NS(=O)(=O)c2ccc(CC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000833663322	605204686	/nfs/dbraw/zinc/20/46/86/605204686.db2.gz	UOSFKHPAEGPNLZ-UHFFFAOYSA-N	-1	2	380.378	2.421	20	5		GEBDLM
COc1c(F)cc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000833726881	605331270	/nfs/dbraw/zinc/33/12/70/605331270.db2.gz	JHQKCVHUINNFEJ-UHFFFAOYSA-N	-1	2	388.304	2.381	20	5		GEBDLM
COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)cc1[N+](=O)[O-]	ZINC000833733092	605167655	/nfs/dbraw/zinc/16/76/55/605167655.db2.gz	FIPGUJAKQOKCCN-UHFFFAOYSA-N	-1	2	388.304	2.381	20	5		GEBDLM
C[C@H](NS(=O)(=O)c1cc(Br)cc([N+](=O)[O-])c1)c1[nH+]ccn1C	ZINC000595382936	532562115	/nfs/dbraw/zinc/56/21/15/532562115.db2.gz	LPJVPGGXLSFSFC-QMMMGPOBSA-N	-1	2	389.231	2.130	20	5		GEBDLM
O=[N+]([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)N[C@@H]1C[NH2+]CCC1(F)F	ZINC000567862133	532667506	/nfs/dbraw/zinc/66/75/06/532667506.db2.gz	NTZPSVQRLPBOQR-SECBINFHSA-N	-1	2	390.195	2.177	20	5		GEBDLM
COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C(=O)[O-])c(OC)c1	ZINC000833733475	605325318	/nfs/dbraw/zinc/32/53/18/605325318.db2.gz	QUVURHZMXORUBZ-UHFFFAOYSA-N	-1	2	382.350	2.111	20	5		GEBDLM
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccnc2OCC(F)F)ccc1[O-]	ZINC000498481667	650858150	/nfs/dbraw/zinc/85/81/50/650858150.db2.gz	QOFIIWOMJPATSW-UHFFFAOYSA-N	-1	2	375.309	2.140	20	5		GEBDLM
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1Br)c1[nH+]ccn1C	ZINC000595383952	532562024	/nfs/dbraw/zinc/56/20/24/532562024.db2.gz	RWGCBYSZHUWHOO-QMMMGPOBSA-N	-1	2	389.231	2.130	20	5		GEBDLM
O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-n3cc[nH+]c3)c2)c([N+](=O)[O-])c1	ZINC000740187148	600247908	/nfs/dbraw/zinc/24/79/08/600247908.db2.gz	HMWDDQHQKQDLMF-UHFFFAOYSA-N	-1	2	388.361	2.280	20	5		GEBDLM
CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)c(F)c1	ZINC000825908014	600690676	/nfs/dbraw/zinc/69/06/76/600690676.db2.gz	LBRNMSSUOBCPKH-UHFFFAOYSA-N	-1	2	397.340	2.191	20	5		GEBDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)c1OC	ZINC000467324658	600897687	/nfs/dbraw/zinc/89/76/87/600897687.db2.gz	PKVYRPREKFSFIQ-UHFFFAOYSA-N	-1	2	396.377	2.419	20	5		GEBDLM
Cc1cc(S(=O)(=O)Nc2cnc3c(c2)CN(C(=O)[O-])CC3)ccc1[N+](=O)[O-]	ZINC000833900955	605876208	/nfs/dbraw/zinc/87/62/08/605876208.db2.gz	HSBZIWCGNYHEIS-UHFFFAOYSA-N	-1	2	392.393	2.135	20	5		GEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000738064067	599854867	/nfs/dbraw/zinc/85/48/67/599854867.db2.gz	QLJKGHABHAZFJE-UHFFFAOYSA-N	-1	2	380.378	2.421	20	5		GEBDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1OC	ZINC000467323168	600897626	/nfs/dbraw/zinc/89/76/26/600897626.db2.gz	PSHWWAJBUOPYKM-UHFFFAOYSA-N	-1	2	382.350	2.111	20	5		GEBDLM
COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	ZINC000466267698	601862496	/nfs/dbraw/zinc/86/24/96/601862496.db2.gz	NTESXBYSUSMXQE-UHFFFAOYSA-N	-1	2	398.324	2.020	20	5		GEBDLM
O=C([O-])NCCOc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000834244656	606080858	/nfs/dbraw/zinc/08/08/58/606080858.db2.gz	CYWLULGRMHAYOX-UHFFFAOYSA-N	-1	2	381.366	2.042	20	5		GEBDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1OC	ZINC000467328204	600897649	/nfs/dbraw/zinc/89/76/49/600897649.db2.gz	SWCVCYGEWSPRTH-UHFFFAOYSA-N	-1	2	396.377	2.419	20	5		GEBDLM
COc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cnc1Cl	ZINC000776445132	653349418	/nfs/dbraw/zinc/34/94/18/653349418.db2.gz	REHLWPDYCZXMPE-UHFFFAOYSA-N	-1	2	387.757	2.151	20	5		GEBDLM
O=C([O-])C[C@@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000284934873	532632656	/nfs/dbraw/zinc/63/26/56/532632656.db2.gz	CNKANWVCYSIQAJ-SSDOTTSWSA-N	-1	2	388.295	2.056	20	5		GEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CCC(=O)[O-])cc1	ZINC000737905004	599853096	/nfs/dbraw/zinc/85/30/96/599853096.db2.gz	BBVLOBQTJWOHJJ-UHFFFAOYSA-N	-1	2	380.378	2.421	20	5		GEBDLM
COc1ccc(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)c([N+](=O)[O-])c1	ZINC000738063913	600302175	/nfs/dbraw/zinc/30/21/75/600302175.db2.gz	MSONKJIRIYSTCW-UHFFFAOYSA-N	-1	2	381.366	2.172	20	5		GEBDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2C)c1OC	ZINC000484968195	600897581	/nfs/dbraw/zinc/89/75/81/600897581.db2.gz	WIRODIJWEMUDQL-UHFFFAOYSA-N	-1	2	396.377	2.419	20	5		GEBDLM
O=C([O-])CC[C@@H](CNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000596035532	652750887	/nfs/dbraw/zinc/75/08/87/652750887.db2.gz	MSILMQDHLUUPDN-ZETCQYMHSA-N	-1	2	388.295	2.056	20	5		GEBDLM
O=C([O-])C[C@H](CCNS(=O)(=O)c1c(F)cccc1[N+](=O)[O-])C(F)(F)F	ZINC000284934875	532632783	/nfs/dbraw/zinc/63/27/83/532632783.db2.gz	CNKANWVCYSIQAJ-ZETCQYMHSA-N	-1	2	388.295	2.056	20	5		GEBDLM
Cc1cc(F)c(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1[N+](=O)[O-]	ZINC000738396774	601047271	/nfs/dbraw/zinc/04/72/71/601047271.db2.gz	IQMXPYBWJFYUJI-UHFFFAOYSA-N	-1	2	384.341	2.307	20	5		GEBDLM
Cc1cc(Cl)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1[N+](=O)[O-]	ZINC000832885410	601501362	/nfs/dbraw/zinc/50/13/62/601501362.db2.gz	AEAYUDVHUMUUNM-UHFFFAOYSA-N	-1	2	391.814	2.441	20	5		GEBDLM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1F	ZINC000832905766	601630790	/nfs/dbraw/zinc/63/07/90/601630790.db2.gz	UPJVUSUOXBFSCW-UHFFFAOYSA-N	-1	2	394.340	2.418	20	5		GEBDLM
COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)nc1C(=O)[O-]	ZINC000832481307	601830308	/nfs/dbraw/zinc/83/03/08/601830308.db2.gz	BESMJRAEXPZAEM-UHFFFAOYSA-N	-1	2	387.757	2.151	20	5		GEBDLM
O=C([O-])CCc1csc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2F)n1	ZINC000833243211	604625497	/nfs/dbraw/zinc/62/54/97/604625497.db2.gz	CISKHLRXDLUXID-UHFFFAOYSA-N	-1	2	375.359	2.008	20	5		GEBDLM
Cn1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)cc1C(=O)[O-]	ZINC000603976129	600810635	/nfs/dbraw/zinc/81/06/35/600810635.db2.gz	ZRTJVUZXFGLPJF-UHFFFAOYSA-N	-1	2	391.308	2.034	20	5		GEBDLM
COc1cc(C(=O)[O-])cc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c1OC	ZINC000484987877	600899486	/nfs/dbraw/zinc/89/94/86/600899486.db2.gz	OCOLTOFWEJTCKL-UHFFFAOYSA-N	-1	2	396.377	2.419	20	5		GEBDLM
Cc1cc(NS(=O)(=O)c2ccc([O-])c([N+](=O)[O-])c2)nn1CC(F)(F)F	ZINC000416963011	648219686	/nfs/dbraw/zinc/21/96/86/648219686.db2.gz	ZALPAGKWOROZGN-UHFFFAOYSA-N	-1	2	380.304	2.168	20	5		GEBDLM
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(CNC(=O)[O-])cc1	ZINC000737906260	600302143	/nfs/dbraw/zinc/30/21/43/600302143.db2.gz	ZDKLFHUYDRFUOQ-UHFFFAOYSA-N	-1	2	381.366	2.172	20	5		GEBDLM
Cn1c(CC(=O)Nc2cc(C(=O)[O-])cc([N+](=O)[O-])c2)nnc1-c1ccccc1	ZINC000833038388	600975284	/nfs/dbraw/zinc/97/52/84/600975284.db2.gz	FKPSAKXASCWFEM-UHFFFAOYSA-N	-1	2	381.348	2.270	20	5		GEBDLM