smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1	ZINC000011565635	555787825	/nfs/dbraw/zinc/78/78/25/555787825.db2.gz	BYGOUISQRAWWKX-UHFFFAOYSA-N	0	3	453.451	3.452	50	5		JGBAHN
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000018045383	556279877	/nfs/dbraw/zinc/27/98/77/556279877.db2.gz	HRZYQCWAWVJHII-VSKRKVRLSA-N	0	3	473.441	3.433	50	5		JGBAHN
COC(=O)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000102709150	569816761	/nfs/dbraw/zinc/81/67/61/569816761.db2.gz	HRZYQCWAWVJHII-YPAWHYETSA-N	0	3	473.441	3.433	50	5		JGBAHN
COCCN(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000034740547	569655426	/nfs/dbraw/zinc/65/54/26/569655426.db2.gz	ZASSCGVIFFJZTQ-IFMALSPDSA-N	0	3	459.518	3.071	50	5		JGBAHN
CN(Cc1cccnc1)C[C@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1	ZINC000065567243	569676163	/nfs/dbraw/zinc/67/61/63/569676163.db2.gz	ZFSWSZOZYHPLKH-LJQANCHMSA-N	0	3	475.615	3.415	50	5		JGBAHN
CCOC(=O)c1c2c(sc1NC(=O)COc1cccnc1[N+](=O)[O-])C(C)(C)NC(C)(C)C2	ZINC000009492433	555272442	/nfs/dbraw/zinc/27/24/42/555272442.db2.gz	VCJYSKHOFWCFKQ-UHFFFAOYSA-N	0	3	462.528	3.405	50	5		JGBAHN
O=C(CN1CCN(C2CCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F	ZINC000022515639	555930509	/nfs/dbraw/zinc/93/05/09/555930509.db2.gz	BYDKKIQYYRORCX-UHFFFAOYSA-N	0	3	469.517	3.485	50	5		JGBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000018120880	556290308	/nfs/dbraw/zinc/29/03/08/556290308.db2.gz	AAXSHIZYBXAEFI-VSKRKVRLSA-N	0	3	461.430	3.360	50	5		JGBAHN
CCN1CCN(Cc2ccc(CNc3ccc(S(=O)(=O)NC(C)C)cc3[N+](=O)[O-])cc2)CC1	ZINC000032932654	556547829	/nfs/dbraw/zinc/54/78/29/556547829.db2.gz	UYHIGTOACZHKCZ-UHFFFAOYSA-N	0	3	475.615	3.031	50	5		JGBAHN
COCCN(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000245281418	570062267	/nfs/dbraw/zinc/06/22/67/570062267.db2.gz	ZASSCGVIFFJZTQ-UNMCSNQZSA-N	0	3	459.518	3.071	50	5		JGBAHN
O=C(CNCCNc1ccc([N+](=O)[O-])cc1Cl)NCCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000008767989	554668712	/nfs/dbraw/zinc/66/87/12/554668712.db2.gz	NNWSDJTXCHVFSK-UHFFFAOYSA-N	0	3	471.301	3.040	50	5		JGBAHN
COc1ccc([C@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N(C)C)cc1OC	ZINC000009544351	555335530	/nfs/dbraw/zinc/33/55/30/555335530.db2.gz	LWJFHANYCISKKD-FQEVSTJZSA-N	0	3	478.571	3.111	50	5		JGBAHN
COCCN(C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@@H]1c1cccc(F)c1)C(=O)COC	ZINC000034740546	569655409	/nfs/dbraw/zinc/65/54/09/569655409.db2.gz	ZASSCGVIFFJZTQ-RBBKRZOGSA-N	0	3	459.518	3.071	50	5		JGBAHN
CN(Cc1cccnc1)C[C@@H]1CCCN(c2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])C1	ZINC000065567247	569676179	/nfs/dbraw/zinc/67/61/79/569676179.db2.gz	ZFSWSZOZYHPLKH-IBGZPJMESA-N	0	3	475.615	3.415	50	5		JGBAHN
CN(C)CCNC(=O)Cc1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1	ZINC000036396897	569775116	/nfs/dbraw/zinc/77/51/16/569775116.db2.gz	DBMOINXEYHSULI-UHFFFAOYSA-N	0	3	456.546	3.014	50	5		JGBAHN
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1	ZINC000245225309	570054804	/nfs/dbraw/zinc/05/48/04/570054804.db2.gz	RUDXZHXEFNHZKE-OALUTQOASA-N	0	3	460.556	3.085	50	5		JGBAHN
Cc1nc2c3ccccc3n3c(CCCC(=O)NCCCN(C)Cc4ccccc4)nnc3n2n1	ZINC000009860216	195000339	/nfs/dbraw/zinc/00/03/39/195000339.db2.gz	JJEFOMGSGSTICS-UHFFFAOYSA-N	0	3	470.581	3.195	50	5		JGBAHN
NC(=O)C1(N2CCCCC2)CCN(C(=O)c2ccc3c4nc5ccccc5n4c(=S)[nH]c3c2)CC1	ZINC000020643558	195194065	/nfs/dbraw/zinc/19/40/65/195194065.db2.gz	ZBJBVXYMSIVUJK-UHFFFAOYSA-N	0	3	488.617	3.270	50	5		JGBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013770293	555614325	/nfs/dbraw/zinc/61/43/25/555614325.db2.gz	HTIGCRRTALNJER-QHAWAJNXSA-N	0	3	476.401	3.260	50	5		JGBAHN
CCOC(=O)c1c2c(sc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C)C(C)(C)NC(C)(C)C2	ZINC000014065916	555675660	/nfs/dbraw/zinc/67/56/60/555675660.db2.gz	ZCULYEASUQWQDH-UHFFFAOYSA-N	0	3	463.560	3.444	50	5		JGBAHN
COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000100961662	569777918	/nfs/dbraw/zinc/77/79/18/569777918.db2.gz	HRZYQCWAWVJHII-BDTNDASRSA-N	0	3	473.441	3.433	50	5		JGBAHN
O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCCN1CCCC1	ZINC000009860265	195000640	/nfs/dbraw/zinc/00/06/40/195000640.db2.gz	YTAXFWFXFYORLE-UHFFFAOYSA-N	0	3	468.565	3.127	50	5		JGBAHN
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1	ZINC000058156516	195367202	/nfs/dbraw/zinc/36/72/02/195367202.db2.gz	RUDXZHXEFNHZKE-RTBURBONSA-N	0	3	460.556	3.085	50	5		JGBAHN
CN(C)Cc1ccc(CSCCNC(=C[N+](=O)[O-])NCCSCc2ccc(CN(C)C)o2)o1	ZINC000008385570	554568625	/nfs/dbraw/zinc/56/86/25/554568625.db2.gz	VTVSRHZKBPARSF-UHFFFAOYSA-N	0	3	497.687	3.417	50	5		JGBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000102748143	569820453	/nfs/dbraw/zinc/82/04/53/569820453.db2.gz	HZOKNNUDXLLVKD-YPAWHYETSA-N	0	3	479.420	3.499	50	5		JGBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137836341	569865375	/nfs/dbraw/zinc/86/53/75/569865375.db2.gz	HTIGCRRTALNJER-PCCBWWKXSA-N	0	3	476.401	3.260	50	5		JGBAHN
COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000230027337	570043739	/nfs/dbraw/zinc/04/37/39/570043739.db2.gz	BXGRRDAMTIFNNK-BHDDXSALSA-N	0	3	473.441	3.433	50	5		JGBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000013770291	555614411	/nfs/dbraw/zinc/61/44/11/555614411.db2.gz	HTIGCRRTALNJER-NJDAHSKKSA-N	0	3	476.401	3.260	50	5		JGBAHN
CCOC(=O)c1ccc(-n2c(CN3CCN([C@@H](C)CC)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1	ZINC000020155224	555675373	/nfs/dbraw/zinc/67/53/73/555675373.db2.gz	HZBBZZYJPIWLGC-SFHVURJKSA-N	0	3	493.564	3.387	50	5		JGBAHN
CC1=C(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2(CCN(Cc3ccccc3)CC2)OC1=O	ZINC000020531713	555799402	/nfs/dbraw/zinc/79/94/02/555799402.db2.gz	OCVWNNMXNFZCHV-UHFFFAOYSA-N	0	3	490.560	3.152	50	5	biogenic	JGBAHN
Cc1ccc([N-]S(=O)(=O)c2ccc(NCCC[NH+]3CCC(O)CC3)c([N+](=O)[O-])c2)c(C)c1	ZINC000040152821	569820411	/nfs/dbraw/zinc/82/04/11/569820411.db2.gz	JKMZDOPHQLOORF-UHFFFAOYSA-N	0	3	462.572	3.271	50	5		JGBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1O	ZINC000226988780	570039692	/nfs/dbraw/zinc/03/96/92/570039692.db2.gz	MFVMACPMKKHFOL-BHDDXSALSA-N	0	3	461.430	3.360	50	5		JGBAHN
COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000239284693	570050052	/nfs/dbraw/zinc/05/00/52/570050052.db2.gz	BXGRRDAMTIFNNK-YPAWHYETSA-N	0	3	473.441	3.433	50	5		JGBAHN
COc1cc([N+](=O)[O-])cc2cc(C(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)c(=O)oc21	ZINC000012418922	522973071	/nfs/dbraw/zinc/97/30/71/522973071.db2.gz	YZEPJHZGBUBTLJ-UHFFFAOYSA-N	0	3	467.522	3.436	50	5		JGBAHN
COC(=O)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)cc1	ZINC000226976128	570039415	/nfs/dbraw/zinc/03/94/15/570039415.db2.gz	HRZYQCWAWVJHII-BHDDXSALSA-N	0	3	473.441	3.433	50	5		JGBAHN
CC1CCC(NS(=O)(=O)c2ccc(N3CCCN(C[C@H]4CCCO4)CC3)c([N+](=O)[O-])c2)CC1	ZINC000247980507	570072067	/nfs/dbraw/zinc/07/20/67/570072067.db2.gz	GHAKYUWNUZKCMS-SOAGJPPSSA-N	0	3	480.631	3.143	50	5		JGBAHN
Cc1nc2c3ccccc3n3c(CCCC(=O)NC4CCN(Cc5ccccc5)CC4)nnc3n2n1	ZINC000009860214	195000371	/nfs/dbraw/zinc/00/03/71/195000371.db2.gz	KVALONUNVHNNTQ-UHFFFAOYSA-N	0	3	482.592	3.337	50	5		JGBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000096297351	130051659	/nfs/dbraw/zinc/05/16/59/130051659.db2.gz	AAXSHIZYBXAEFI-BDTNDASRSA-N	0	3	461.430	3.360	50	5		JGBAHN
CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)cc1	ZINC000012411642	520691767	/nfs/dbraw/zinc/69/17/67/520691767.db2.gz	IISMNUFKNQXEJR-UHFFFAOYSA-N	0	3	483.477	3.461	50	5		JGBAHN
COc1cccc(-n2c(CN3CCN(C4CCCC4)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)c1	ZINC000020155219	525746119	/nfs/dbraw/zinc/74/61/19/525746119.db2.gz	YXPSYZHBMBJVMA-UHFFFAOYSA-N	0	3	463.538	3.363	50	5		JGBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000008816240	554698115	/nfs/dbraw/zinc/69/81/15/554698115.db2.gz	ZNKPUDIGBBTDGD-UHFFFAOYSA-N	0	3	480.447	3.258	50	5		JGBAHN
CCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2NC(=O)CNC2CCCC2)cc1	ZINC000020154999	555674731	/nfs/dbraw/zinc/67/47/31/555674731.db2.gz	OYPFNUVCWMYXLP-UHFFFAOYSA-N	0	3	454.483	3.495	50	5		JGBAHN
O=C(CNC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2c(c1)OCCO2	ZINC000020155200	555675317	/nfs/dbraw/zinc/67/53/17/555675317.db2.gz	ZJYRGMWWSVREJB-UHFFFAOYSA-N	0	3	454.483	3.479	50	5		JGBAHN
COc1ccc([C@@H](CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)N2CCCC2)cc1	ZINC000017911828	556271029	/nfs/dbraw/zinc/27/10/29/556271029.db2.gz	KILJMUJCHUPMIQ-OAQYLSRUSA-N	0	3	468.510	3.245	50	5		JGBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1O	ZINC000018082533	556285213	/nfs/dbraw/zinc/28/52/13/556285213.db2.gz	MFVMACPMKKHFOL-VSKRKVRLSA-N	0	3	461.430	3.360	50	5		JGBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000102742092	569819350	/nfs/dbraw/zinc/81/93/50/569819350.db2.gz	AAXSHIZYBXAEFI-YPAWHYETSA-N	0	3	461.430	3.360	50	5		JGBAHN
COc1ccc([C@H](CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)N2CCCC2)cc1	ZINC000017911829	556271039	/nfs/dbraw/zinc/27/10/39/556271039.db2.gz	KILJMUJCHUPMIQ-NRFANRHFSA-N	0	3	468.510	3.245	50	5		JGBAHN
CN1CCN(Cc2ccc(CNc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])cc2)CC1	ZINC000032932651	556547914	/nfs/dbraw/zinc/54/79/14/556547914.db2.gz	NJJWFHBKTOPDNY-UHFFFAOYSA-N	0	3	487.626	3.129	50	5		JGBAHN
COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1	ZINC000102708616	569816863	/nfs/dbraw/zinc/81/68/63/569816863.db2.gz	BXGRRDAMTIFNNK-FDFHNCONSA-N	0	3	473.441	3.433	50	5		JGBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000227022512	570039722	/nfs/dbraw/zinc/03/97/22/570039722.db2.gz	HZOKNNUDXLLVKD-BHDDXSALSA-N	0	3	479.420	3.499	50	5		JGBAHN
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H]2CN3CCC[C@@H]3CO2)c([N+](=O)[O-])c1	ZINC000058156517	195367169	/nfs/dbraw/zinc/36/71/69/195367169.db2.gz	RUDXZHXEFNHZKE-MOPGFXCFSA-N	0	3	460.556	3.085	50	5		JGBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C([O-])=C3ON2c2ccccc2)ccc1O	ZINC000101058430	569780639	/nfs/dbraw/zinc/78/06/39/569780639.db2.gz	MFVMACPMKKHFOL-BDTNDASRSA-N	0	3	461.430	3.360	50	5		JGBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1O	ZINC000101058430	569780640	/nfs/dbraw/zinc/78/06/40/569780640.db2.gz	MFVMACPMKKHFOL-BDTNDASRSA-N	0	3	461.430	3.360	50	5		JGBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000101125418	569783705	/nfs/dbraw/zinc/78/37/05/569783705.db2.gz	HZOKNNUDXLLVKD-BDTNDASRSA-N	0	3	479.420	3.499	50	5		JGBAHN
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H]2CN3CCC[C@H]3CO2)c([N+](=O)[O-])c1	ZINC000245225310	570054861	/nfs/dbraw/zinc/05/48/61/570054861.db2.gz	RUDXZHXEFNHZKE-RBUKOAKNSA-N	0	3	460.556	3.085	50	5		JGBAHN
CCOC(=O)c1ccc(-n2c(CN3CCN([C@H](C)CC)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1	ZINC000020155225	555675233	/nfs/dbraw/zinc/67/52/33/555675233.db2.gz	HZBBZZYJPIWLGC-GOSISDBHSA-N	0	3	493.564	3.387	50	5		JGBAHN
CCN1CCN(Cc2ccccc2CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])CC1	ZINC000032916250	556540182	/nfs/dbraw/zinc/54/01/82/556540182.db2.gz	RIMOWKJXGLBOQZ-UHFFFAOYSA-N	0	3	489.642	3.421	50	5		JGBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)C3ON2c2ccccc2)ccc1O	ZINC000102731447	569818095	/nfs/dbraw/zinc/81/80/95/569818095.db2.gz	MFVMACPMKKHFOL-YPAWHYETSA-N	0	3	461.430	3.360	50	5		JGBAHN
COc1ccc([C@@H](CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N(C)C)cc1OC	ZINC000009616404	555453676	/nfs/dbraw/zinc/45/36/76/555453676.db2.gz	LWJFHANYCISKKD-HXUWFJFHSA-N	0	3	478.571	3.111	50	5		JGBAHN
COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccc([N+](=O)[O-])cc2)ccc1O	ZINC000018085576	556285602	/nfs/dbraw/zinc/28/56/02/556285602.db2.gz	HZOKNNUDXLLVKD-VSKRKVRLSA-N	0	3	479.420	3.499	50	5		JGBAHN
COC(=O)c1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1	ZINC000102708621	569816816	/nfs/dbraw/zinc/81/68/16/569816816.db2.gz	BXGRRDAMTIFNNK-BHIFYINESA-N	0	3	473.441	3.433	50	5		JGBAHN
CCN(CC)CCn1c(=O)nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)c2c1CCCC2	ZINC000009747161	555478974	/nfs/dbraw/zinc/47/89/74/555478974.db2.gz	WZIMOYKGKUUXKI-UHFFFAOYSA-N	0	3	459.572	3.103	50	5		JGBAHN
CC1CCC(NS(=O)(=O)c2ccc(N3CCCN(C[C@@H]4CCCO4)CC3)c([N+](=O)[O-])c2)CC1	ZINC000032809704	556499705	/nfs/dbraw/zinc/49/97/05/556499705.db2.gz	GHAKYUWNUZKCMS-MHJFOBGBSA-N	0	3	480.631	3.143	50	5		JGBAHN
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)[N-]Cc1ccc(C[NH+]3CCCCC3)cc1)OCCCO2	ZINC000032895731	556525671	/nfs/dbraw/zinc/52/56/71/556525671.db2.gz	YTUOEDUSQGFYRO-UHFFFAOYSA-N	0	3	461.540	3.221	50	5		JGBAHN
COc1ccc([N+](=O)[O-])cc1-n1c(O)c2c(-c3ccc([N+](=O)[O-])cc3)nn(-c3ccccc3)c2c1O	ZINC000103920127	569839291	/nfs/dbraw/zinc/83/92/91/569839291.db2.gz	LBLFAHLMBWKSMM-UNMCSNQZSA-N	0	3	487.428	3.294	50	5		JGBAHN
O=C1C2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccc(O)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000137836230	569865245	/nfs/dbraw/zinc/86/52/45/569865245.db2.gz	HTIGCRRTALNJER-PWRODBHTSA-N	0	3	476.401	3.260	50	5		JGBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C([O-])=C3ON2c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000227067290	570039854	/nfs/dbraw/zinc/03/98/54/570039854.db2.gz	AAXSHIZYBXAEFI-BHDDXSALSA-N	0	3	461.430	3.360	50	5		JGBAHN
COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)C3ON2c2cccc([N+](=O)[O-])c2)ccc1O	ZINC000227067290	570039855	/nfs/dbraw/zinc/03/98/55/570039855.db2.gz	AAXSHIZYBXAEFI-BHDDXSALSA-N	0	3	461.430	3.360	50	5		JGBAHN
COCCN(C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])C[C@H]1c1cccc(F)c1)C(=O)COC	ZINC000245281416	570062273	/nfs/dbraw/zinc/06/22/73/570062273.db2.gz	ZASSCGVIFFJZTQ-IRLDBZIGSA-N	0	3	459.518	3.071	50	5		JGBAHN