smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCNC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000002002484	406681592	/nfs/dbraw/zinc/68/15/92/406681592.db2.gz	VTTXTQSIUJCMHK-UHFFFAOYSA-N	1	0	310.310	1.575	40	5		DDBBRO
C[N@+]12CCCC[C@H]1[C@@H](COCC(=O)N1CCOCC1)CCC2	ZINC000585162685	354816884	/nfs/dbraw/zinc/81/68/84/354816884.db2.gz	BWUWEVLAZIDXFV-JTDSTZFVSA-N	1	0	311.446	1.271	40	5		DDBBRO
CC[NH+](CC)CCN=c1nc2ccc([N+](=O)[O-])cc2[n+]([O-])[nH]1	ZINC000104281437	407350437	/nfs/dbraw/zinc/35/04/37/407350437.db2.gz	SFHWDRHZWLJHEF-UHFFFAOYSA-N	1	0	307.334	1.139	40	5		DDBBRO
C[N@+]12CCCC[C@H]1[C@H](COCC(=O)N1CCOCC1)CCC2	ZINC000585162686	354816817	/nfs/dbraw/zinc/81/68/17/354816817.db2.gz	BWUWEVLAZIDXFV-TXPKVOOTSA-N	1	0	311.446	1.271	40	5		DDBBRO
COc1ccc2c3c1O[C@H]1[C@H](O)CC=C[C@@]31CC[N+](C)(C)C2	ZINC000001280292	406666753	/nfs/dbraw/zinc/66/67/53/406666753.db2.gz	DOUIWWHBJPGSBE-JEBQAFNWSA-N	1	0	302.394	1.995	40	5		DDBBRO
COc1cc(OCC(=O)NC2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000069126103	406683946	/nfs/dbraw/zinc/68/39/46/406683946.db2.gz	OEARODNYANTFOK-UHFFFAOYSA-N	1	0	323.349	1.193	40	5		DDBBRO
C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)CN1CCOCC1)CCC2	ZINC000585162688	354816847	/nfs/dbraw/zinc/81/68/47/354816847.db2.gz	CCFPFHWXYMZYJJ-GPMSIDNRSA-N	1	0	311.446	1.271	40	5		DDBBRO
C[N@+]12CCCC[C@@H]1[C@H](COCC(=O)N1CCOCC1)CCC2	ZINC000585162683	354816819	/nfs/dbraw/zinc/81/68/19/354816819.db2.gz	BWUWEVLAZIDXFV-FRQCXROJSA-N	1	0	311.446	1.271	40	5		DDBBRO
CCC[N+](C)(C)CCCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352083	181233917	/nfs/dbraw/zinc/23/39/17/181233917.db2.gz	BXSSFQJPTIHPHH-KHMAMNHCSA-N	1	0	310.414	1.604	40	5		DDBBRO
CCOC(=O)[C@@H]1CCCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000225238030	201691155	/nfs/dbraw/zinc/69/11/55/201691155.db2.gz	FWQBTKSWMNJBRV-SNVBAGLBSA-N	1	0	321.337	1.612	40	5		DDBBRO
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC[NH+](C)CC1	ZINC000072703811	191217678	/nfs/dbraw/zinc/21/76/78/191217678.db2.gz	FURRPNXEHQONHY-UHFFFAOYSA-N	1	0	313.379	1.276	40	5		DDBBRO
CCOC(=O)[C@H]1CCCN(C(=[NH2+])Nc2ncccc2[N+](=O)[O-])C1	ZINC000253565209	407460421	/nfs/dbraw/zinc/46/04/21/407460421.db2.gz	HKUJPYFTRMTPCQ-JTQLQIEISA-N	1	0	321.337	1.612	40	5		DDBBRO
CCCCC[N+](C)(C)CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352032	181233641	/nfs/dbraw/zinc/23/36/41/181233641.db2.gz	JJACJBAQGASNLP-LEOABGAYSA-N	1	0	324.441	1.994	40	5		DDBBRO
CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c2no[n+]([O-])c21	ZINC000005432054	181242973	/nfs/dbraw/zinc/24/29/73/181242973.db2.gz	GWGCXMGGQQVJPA-UHFFFAOYSA-N	1	0	309.326	1.513	40	5		DDBBRO
Cc1nn(CCC(=O)N2CC[N@@H+]3CCC[C@H]3C2)c(C)c1[N+](=O)[O-]	ZINC000002775130	406698694	/nfs/dbraw/zinc/69/86/94/406698694.db2.gz	MTGFMMPQSGWMJZ-ZDUSSCGKSA-N	1	0	321.381	1.105	40	5		DDBBRO
C[NH+](C)CCN1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000003798955	181046250	/nfs/dbraw/zinc/04/62/50/181046250.db2.gz	XXVLKDRPHSFIIB-UHFFFAOYSA-N	1	0	313.313	1.906	40	5	investigational	DDBBRO
CCCCC[N+](C)(C)CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352030	181233855	/nfs/dbraw/zinc/23/38/55/181233855.db2.gz	JJACJBAQGASNLP-JKJDWNRSSA-N	1	0	324.441	1.994	40	5		DDBBRO
O=c1oc2ccccc2c(N2CC[N@@H+]3CCC[C@H]3C2)c1[N+](=O)[O-]	ZINC000245380413	275044465	/nfs/dbraw/zinc/04/44/65/275044465.db2.gz	YJHHLAQOEDTDTM-NSHDSACASA-N	1	0	315.329	1.986	40	5		DDBBRO
COC(=O)c1ccc(NCCN2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000039956294	183024478	/nfs/dbraw/zinc/02/44/78/183024478.db2.gz	TXGIOJJETQHUJZ-UHFFFAOYSA-N	1	0	322.365	1.041	40	5		DDBBRO
C[NH+](C)CCCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000035101467	406966943	/nfs/dbraw/zinc/96/69/43/406966943.db2.gz	PRMWTLZKELNBAC-UHFFFAOYSA-N	1	0	321.786	1.478	40	5		DDBBRO
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)CN1CCOCC1)CCC2	ZINC000585162687	354816821	/nfs/dbraw/zinc/81/68/21/354816821.db2.gz	CCFPFHWXYMZYJJ-FRQCXROJSA-N	1	0	311.446	1.271	40	5		DDBBRO
O=[N+]([O-])c1cccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3)n2)c1	ZINC000015676024	182011744	/nfs/dbraw/zinc/01/17/44/182011744.db2.gz	BWPVYZGNVJIYDV-NSHDSACASA-N	1	0	312.289	1.755	40	5	biogenic,in-vitro	DDBBRO
Cc1cc(C(=O)NCCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000022913935	182340244	/nfs/dbraw/zinc/34/02/44/182340244.db2.gz	OJVJRFFYJQNVPB-UHFFFAOYSA-N	1	0	320.393	1.271	40	5		DDBBRO
CC[NH+]1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1	ZINC000070461787	406818666	/nfs/dbraw/zinc/81/86/66/406818666.db2.gz	JJNYKHOBNQHLRB-UHFFFAOYSA-N	1	0	302.338	1.317	40	5		DDBBRO
[NH3+]CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000022200253	182312474	/nfs/dbraw/zinc/31/24/74/182312474.db2.gz	LEEZFJJTYPFIIM-UHFFFAOYSA-N	1	0	313.257	1.259	40	5		DDBBRO
COc1ccc2c3c1O[C@H]1[C@H](O)CC=C[C@]31CC[N+](C)(C)C2	ZINC000009122231	406801625	/nfs/dbraw/zinc/80/16/25/406801625.db2.gz	DOUIWWHBJPGSBE-BVGQSLNGSA-N	1	0	302.394	1.995	40	5		DDBBRO
CC[NH+](CC)[C@H](CC(=O)OC)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004653647	181132275	/nfs/dbraw/zinc/13/22/75/181132275.db2.gz	XAFPJIKXKTUQSV-CYBMUJFWSA-N	1	0	323.349	1.807	40	5		DDBBRO
Cc1nn(CCC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1[N+](=O)[O-]	ZINC000002775131	406698175	/nfs/dbraw/zinc/69/81/75/406698175.db2.gz	MTGFMMPQSGWMJZ-CYBMUJFWSA-N	1	0	321.381	1.105	40	5		DDBBRO
Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1	ZINC000004959810	181179824	/nfs/dbraw/zinc/17/98/24/181179824.db2.gz	USXFVAOETRKTCF-UHFFFAOYSA-N	1	0	320.334	1.280	40	5		DDBBRO
CC(C)(C)C(=O)Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000020154197	277131038	/nfs/dbraw/zinc/13/10/38/277131038.db2.gz	XWXQGHSUVINEJM-UHFFFAOYSA-N	1	0	306.366	1.989	40	5		DDBBRO
CC[NH+](CC)CCNC(=O)c1noc2cc([N+](=O)[O-])ccc21	ZINC000001670686	180886420	/nfs/dbraw/zinc/88/64/20/180886420.db2.gz	UVPUPWZAWRFMOG-UHFFFAOYSA-N	1	0	306.322	1.808	40	5		DDBBRO
C[N+]1([C@@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)CCCCC1	ZINC000006565141	331496938	/nfs/dbraw/zinc/49/69/38/331496938.db2.gz	KNYSSDLUZNPUIE-HUUCEWRRSA-N	1	0	301.476	1.268	40	5		DDBBRO
C[N+]1(Cc2cc(=O)[nH]c(=O)[nH]2)CCc2[nH]c3ccccc3c2C1	ZINC000000488961	406651101	/nfs/dbraw/zinc/65/11/01/406651101.db2.gz	YWMJGBXUYGVISY-UHFFFAOYSA-O	1	0	311.365	1.660	40	5		DDBBRO
CCOC(=O)C1CCN(C(=[NH2+])Nc2ncccc2[N+](=O)[O-])CC1	ZINC000225244792	490700740	/nfs/dbraw/zinc/70/07/40/490700740.db2.gz	ODFHNNSPUPBYEC-UHFFFAOYSA-N	1	0	321.337	1.612	40	5		DDBBRO
CC[NH+](CC)CCOC(=O)c1c(C(=O)OC)cccc1[N+](=O)[O-]	ZINC000001580713	406671141	/nfs/dbraw/zinc/67/11/41/406671141.db2.gz	SGAKAYUUIGGBIA-UHFFFAOYSA-N	1	0	324.333	1.880	40	5		DDBBRO
CCCC[N+](C)(C)CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352028	181233710	/nfs/dbraw/zinc/23/37/10/181233710.db2.gz	RWVYUOWFWURPRQ-SEBNEYGDSA-N	1	0	310.414	1.604	40	5		DDBBRO
CCCC[N+](C)(C)CCCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352092	275985943	/nfs/dbraw/zinc/98/59/43/275985943.db2.gz	BOWFDXSUABGSFT-LEOABGAYSA-N	1	0	324.441	1.994	40	5		DDBBRO
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH2+][C@H](C)C1	ZINC000004182273	274000804	/nfs/dbraw/zinc/00/08/04/274000804.db2.gz	ZOTZMGRKMPFYBV-MRVPVSSYSA-N	1	0	324.293	1.088	40	5		DDBBRO
C[N@+]12CCCC[C@@H]1[C@@H](COCC(=O)N1CCOCC1)CCC2	ZINC000585162684	354816841	/nfs/dbraw/zinc/81/68/41/354816841.db2.gz	BWUWEVLAZIDXFV-GPMSIDNRSA-N	1	0	311.446	1.271	40	5		DDBBRO
C[N@+]12CCCC[C@H]1[C@@H](COC(=O)CN1CCOCC1)CCC2	ZINC000585162689	354816845	/nfs/dbraw/zinc/81/68/45/354816845.db2.gz	CCFPFHWXYMZYJJ-JTDSTZFVSA-N	1	0	311.446	1.271	40	5		DDBBRO
COc1ccc([N+](=O)[O-])cc1OCCCN1CC[NH+](C)CC1	ZINC000066352019	407249206	/nfs/dbraw/zinc/24/92/06/407249206.db2.gz	GIODEEXALCHTQP-UHFFFAOYSA-N	1	0	309.366	1.620	40	5		DDBBRO
Cc1ccc(S(=O)(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000113941866	407530531	/nfs/dbraw/zinc/53/05/31/407530531.db2.gz	BWKHHVFAQRQIBJ-UHFFFAOYSA-N	1	0	313.379	1.276	40	5		DDBBRO
CCOC(=O)C1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)CC1	ZINC000225237971	490700648	/nfs/dbraw/zinc/70/06/48/490700648.db2.gz	WJSKBBJWNLGBJT-UHFFFAOYSA-N	1	0	321.337	1.612	40	5		DDBBRO
COC(=O)CCCOc1cc([N+](=O)[O-])c([C@H](C)[NH3+])cc1OC	ZINC000142937007	484038305	/nfs/dbraw/zinc/03/83/05/484038305.db2.gz	CNACOGPNYKMMRO-VIFPVBQESA-N	1	0	312.322	1.955	40	5		DDBBRO
C[N@+]12CCCC[C@H]1[C@H](COC(=O)CN1CCOCC1)CCC2	ZINC000585162690	354816882	/nfs/dbraw/zinc/81/68/82/354816882.db2.gz	CCFPFHWXYMZYJJ-TXPKVOOTSA-N	1	0	311.446	1.271	40	5		DDBBRO
Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000022913923	182340346	/nfs/dbraw/zinc/34/03/46/182340346.db2.gz	FPUFZGQWMLTDMI-UHFFFAOYSA-N	1	0	320.393	1.271	40	5		DDBBRO
COc1ccc2c3c1O[C@H]1[C@@H](O)C=C[C@H]4[C@H](C2)[N+](C)(C)CC[C@@]314	ZINC000095753166	407215425	/nfs/dbraw/zinc/21/54/25/407215425.db2.gz	MLIBORQWQWVNCO-PRRIXCOJSA-N	1	0	314.405	1.646	40	5		DDBBRO
[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000079442779	185171773	/nfs/dbraw/zinc/17/17/73/185171773.db2.gz	TVHHNERSENUVQJ-AWEZNQCLSA-N	1	0	301.302	1.809	40	5		DDBBRO
CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1	ZINC000070461807	406818423	/nfs/dbraw/zinc/81/84/23/406818423.db2.gz	WUHIBMUMVIBIAY-UHFFFAOYSA-N	1	0	302.338	1.317	40	5		DDBBRO
CCC[N+](C)(C)CCCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352085	181233994	/nfs/dbraw/zinc/23/39/94/181233994.db2.gz	BXSSFQJPTIHPHH-SEBNEYGDSA-N	1	0	310.414	1.604	40	5		DDBBRO
CC[N+](C)(CC)CCCN1C(=O)c2ccccc2S1(=O)=O	ZINC000001677238	180887136	/nfs/dbraw/zinc/88/71/36/180887136.db2.gz	XSMOYAPNDHVBTD-UHFFFAOYSA-N	1	0	311.427	1.708	40	5		DDBBRO
O=[N+]([O-])c1ccc(Cc2nsc(N3CC[NH2+]CC3)n2)cc1	ZINC000216642414	354312997	/nfs/dbraw/zinc/31/29/97/354312997.db2.gz	GJNFOZGKVSIZKP-UHFFFAOYSA-N	1	0	305.363	1.447	40	5		DDBBRO
C[NH+](C)CCCNC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000013670380	406866372	/nfs/dbraw/zinc/86/63/72/406866372.db2.gz	HGBKVGBWMUTHBY-UHFFFAOYSA-N	1	0	311.407	1.896	40	5		DDBBRO
O=[N+]([O-])c1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1	ZINC000013668753	406866430	/nfs/dbraw/zinc/86/64/30/406866430.db2.gz	XQZYADNCJGELOQ-UHFFFAOYSA-N	1	0	313.379	1.359	40	5		DDBBRO
O=c1oc2ccccc2c(N2CC[N@@H+]3CCC[C@@H]3C2)c1[N+](=O)[O-]	ZINC000004902846	406730272	/nfs/dbraw/zinc/73/02/72/406730272.db2.gz	YJHHLAQOEDTDTM-LLVKDONJSA-N	1	0	315.329	1.986	40	5		DDBBRO
CC[N+](CC)(CC)CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000104184234	288492114	/nfs/dbraw/zinc/49/21/14/288492114.db2.gz	BZRJPXIAPWLIOZ-SEBNEYGDSA-N	1	0	310.414	1.604	40	5		DDBBRO
COc1ccc2c3c1O[C@@H]1[C@@H](O)C=C[C@H]4[C@H](C2)[N+](C)(C)CC[C@@]314	ZINC000217514095	407504538	/nfs/dbraw/zinc/50/45/38/407504538.db2.gz	MLIBORQWQWVNCO-JCNUMZABSA-N	1	0	314.405	1.646	40	5		DDBBRO
C[NH2+]CCNc1nc(Cl)nc(Nc2cccc([N+](=O)[O-])c2)n1	ZINC000199799412	484132459	/nfs/dbraw/zinc/13/24/59/484132459.db2.gz	OHNLNEFRZPHFHD-UHFFFAOYSA-N	1	0	323.744	1.808	40	5		DDBBRO
CCOC(=O)N1CCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)CC1	ZINC000225237534	490700871	/nfs/dbraw/zinc/70/08/71/490700871.db2.gz	RBVBKNGIVWRVDV-UHFFFAOYSA-N	1	0	322.325	1.111	40	5		DDBBRO
COc1nonc1OCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1	ZINC000004180771	221449380	/nfs/dbraw/zinc/44/93/80/221449380.db2.gz	LQXYWSQMFVDTKM-UHFFFAOYSA-N	1	0	323.309	1.067	40	5		DDBBRO
CCOC(=O)[C@H]1CCCN(C(=[NH2+])Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000253563880	407460410	/nfs/dbraw/zinc/46/04/10/407460410.db2.gz	FWQBTKSWMNJBRV-JTQLQIEISA-N	1	0	321.337	1.612	40	5		DDBBRO
C[NH+]1CCC(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000151384503	408302969	/nfs/dbraw/zinc/30/29/69/408302969.db2.gz	FTMAXRRTYJUGAK-UHFFFAOYSA-N	1	0	313.379	1.108	40	5		DDBBRO
CC[N@@H+]1CCC[C@H](NP2(=O)OCC(C)([N+](=O)[O-])CO2)C1	ZINC000001702935	406674636	/nfs/dbraw/zinc/67/46/36/406674636.db2.gz	CSVZWLZAFRSSBT-UHVLBDPFSA-N	1	0	307.287	1.251	40	5		DDBBRO
COC(=O)CCCOc1cc([N+](=O)[O-])c([C@@H](C)[NH3+])cc1OC	ZINC000142936792	484038037	/nfs/dbraw/zinc/03/80/37/484038037.db2.gz	CNACOGPNYKMMRO-SECBINFHSA-N	1	0	312.322	1.955	40	5		DDBBRO
CCOC(=O)c1cc([N+](=O)[O-])c(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000026508903	276297724	/nfs/dbraw/zinc/29/77/24/276297724.db2.gz	QDMWOGWLOGRTOF-UHFFFAOYSA-N	1	0	324.293	1.089	40	5		DDBBRO
C[N+]1([C@H]2CS(=O)(=O)C[C@H]2N2CCCCC2)CCCCC1	ZINC000006565143	331496762	/nfs/dbraw/zinc/49/67/62/331496762.db2.gz	KNYSSDLUZNPUIE-CABCVRRESA-N	1	0	301.476	1.268	40	5		DDBBRO
CCCC[N+](C)(C)CCCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352087	181233606	/nfs/dbraw/zinc/23/36/06/181233606.db2.gz	BOWFDXSUABGSFT-JKJDWNRSSA-N	1	0	324.441	1.994	40	5		DDBBRO
CC[N@@H+]1CCC[C@@H](NP2(=O)OCC(C)([N+](=O)[O-])CO2)C1	ZINC000001702933	406675226	/nfs/dbraw/zinc/67/52/26/406675226.db2.gz	CSVZWLZAFRSSBT-QABCNFEFSA-N	1	0	307.287	1.251	40	5		DDBBRO
Brc1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1	ZINC000019319305	406885066	/nfs/dbraw/zinc/88/50/66/406885066.db2.gz	ANNCFHWMSRTKBZ-UHFFFAOYSA-N	1	0	310.219	1.458	40	5		DDBBRO
CC[NH+](CC)[C@@H](CC(=O)OC)C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000004653646	181132128	/nfs/dbraw/zinc/13/21/28/181132128.db2.gz	XAFPJIKXKTUQSV-ZDUSSCGKSA-N	1	0	323.349	1.807	40	5		DDBBRO
CC(=O)N[C@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000211630308	563503788	/nfs/dbraw/zinc/50/37/88/563503788.db2.gz	IVMXTFCKYQZHKM-CYBMUJFWSA-N	1	0	308.338	1.167	40	5		DDBBRO
COc1ccc2c3c1O[C@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N+](C)(C)CC[C@@]314	ZINC000006624428	181362146	/nfs/dbraw/zinc/36/21/46/181362146.db2.gz	MLIBORQWQWVNCO-FVCITADKSA-N	1	0	314.405	1.646	40	5		DDBBRO
CC[N+](C)(CC)CCOC(=O)c1nn(C)c(=O)c2ccccc21	ZINC000005469318	181247525	/nfs/dbraw/zinc/24/75/25/181247525.db2.gz	VNSDGZRFTHIPGF-UHFFFAOYSA-N	1	0	318.397	1.577	40	5		DDBBRO
COC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CC[NH2+][C@@H](C)C1	ZINC000004182274	274000843	/nfs/dbraw/zinc/00/08/43/274000843.db2.gz	ZOTZMGRKMPFYBV-QMMMGPOBSA-N	1	0	324.293	1.088	40	5		DDBBRO
CCCC[NH+]1CCN(c2ccc([N+](=O)[O-])c3no[n+]([O-])c32)CC1	ZINC000005339780	406733328	/nfs/dbraw/zinc/73/33/28/406733328.db2.gz	QNDKLCDCQJOUFL-UHFFFAOYSA-N	1	0	321.337	1.292	40	5		DDBBRO
C[N+]1([C@@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)CCCCC1	ZINC000006565140	406739735	/nfs/dbraw/zinc/73/97/35/406739735.db2.gz	KNYSSDLUZNPUIE-LSDHHAIUSA-N	1	0	301.476	1.268	40	5		DDBBRO
CCCC[N+](C)(C)CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352025	181233915	/nfs/dbraw/zinc/23/39/15/181233915.db2.gz	RWVYUOWFWURPRQ-KHMAMNHCSA-N	1	0	310.414	1.604	40	5		DDBBRO
C[NH+]1CCN(CCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000039956405	183024262	/nfs/dbraw/zinc/02/42/62/183024262.db2.gz	RUKKYPLPTWBFJV-UHFFFAOYSA-N	1	0	309.326	1.162	40	5		DDBBRO
CC[N+](CC)(CC)CCN1C(=O)c2ccccc2S1(=O)=O	ZINC000005469423	181247547	/nfs/dbraw/zinc/24/75/47/181247547.db2.gz	CZKVUNBBHZWCCM-UHFFFAOYSA-N	1	0	311.427	1.708	40	5		DDBBRO
COc1ccc2c3c1O[C@@H]1[C@H](O)C=C[C@@H]4[C@H](C2)[N+](C)(C)CC[C@@]314	ZINC000006624427	181362355	/nfs/dbraw/zinc/36/23/55/181362355.db2.gz	MLIBORQWQWVNCO-KQQQJOJRSA-N	1	0	314.405	1.646	40	5		DDBBRO
C[N+]1([C@H]2CS(=O)(=O)C[C@@H]2N2CCCCC2)CCCCC1	ZINC000006565142	331496809	/nfs/dbraw/zinc/49/68/09/331496809.db2.gz	KNYSSDLUZNPUIE-GJZGRUSLSA-N	1	0	301.476	1.268	40	5		DDBBRO
CC(=O)N[C@@H](CCCC[NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000008076243	406777909	/nfs/dbraw/zinc/77/79/09/406777909.db2.gz	IVMXTFCKYQZHKM-ZDUSSCGKSA-N	1	0	308.338	1.167	40	5		DDBBRO
CC[N+](CC)(CC)CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352054	288492294	/nfs/dbraw/zinc/49/22/94/288492294.db2.gz	BZRJPXIAPWLIOZ-KHMAMNHCSA-N	1	0	310.414	1.604	40	5		DDBBRO
C[NH+]1CCC(CCNC(=O)Cc2ccccc2[N+](=O)[O-])CC1	ZINC000156394303	197109658	/nfs/dbraw/zinc/10/96/58/197109658.db2.gz	POUNYNAIOPKJRC-UHFFFAOYSA-N	1	0	305.378	1.985	40	5		DDBBRO
CCOC(=O)[C@@H]1CCCN(C(=[NH2+])Nc2ncccc2[N+](=O)[O-])C1	ZINC000225244860	490700898	/nfs/dbraw/zinc/70/08/98/490700898.db2.gz	HKUJPYFTRMTPCQ-SNVBAGLBSA-N	1	0	321.337	1.612	40	5		DDBBRO