smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)[C@H](C[N+](C)(C)C)OC(=O)N1Cl	ZINC000071341503	168005471	/nfs/dbraw/zinc/00/54/71/168005471.db2.gz	QNPSMGBPJWNBFC-ZETCQYMHSA-N	1	0	221.708	1.446	1	5		BDBFRO
COc1ccccc1C(=O)NCC[N+](C)(C)C	ZINC000095603382	175318289	/nfs/dbraw/zinc/31/82/89/175318289.db2.gz	OTKODFHZTPVCOR-UHFFFAOYSA-O	1	0	237.323	1.131	3	5		BDBFRO
C[N+](C)(C)CCOC(=O)c1ccc(O)cc1	ZINC000006068107	571690953	/nfs/dbraw/zinc/69/09/53/571690953.db2.gz	BAPAICNRGIBFJT-UHFFFAOYSA-O	1	0	224.280	1.255	1	5	endogenous,in-man	BDBFRO
C[C@H]1O[C@H](C[N+](C)(C)C)COC1(C)C	ZINC000045348023	717130142	/nfs/dbraw/zinc/13/01/42/717130142.db2.gz	BYUATYGHJAYLEQ-NXEZZACHSA-N	1	0	202.318	1.275	1	5		BDBFRO
CC1(C)[C@@H](C[N+](C)(C)C)OC(=O)N1Cl	ZINC000071341504	717133241	/nfs/dbraw/zinc/13/32/41/717133241.db2.gz	QNPSMGBPJWNBFC-SSDOTTSWSA-N	1	0	221.708	1.446	1	5		BDBFRO
Cc1cc(C2=C[C@@H]3CC[C@H]2[N+]3(C)C)on1	ZINC000073164528	717134422	/nfs/dbraw/zinc/13/44/22/717134422.db2.gz	UQICAXFERRCIPG-GXSJLCMTSA-N	1	0	205.281	1.987	1	5		BDBFRO
C[N+](C)(C)CCCCCC(=O)CN=O	ZINC000169691945	717156812	/nfs/dbraw/zinc/15/68/12/717156812.db2.gz	JCUBIYOIUWFHMR-UHFFFAOYSA-N	1	0	201.290	1.589	1	5		BDBFRO
O=[N+]([O-])c1ccc2ccoc2c1N1CC[NH2+]CC1	ZINC000013741479	132322443	/nfs/dbraw/zinc/32/24/43/132322443.db2.gz	GFEADFVUEHCRRJ-UHFFFAOYSA-N	1	0	247.254	1.751	1	5		BDBFRO
C[C@H](Cc1ccccc1)[N+](C)(C)CCO	ZINC000027184680	717114735	/nfs/dbraw/zinc/11/47/35/717114735.db2.gz	VUKXOSYQZPRYMC-GFCCVEGCSA-N	1	0	208.325	1.686	1	5		BDBFRO
C[N+]1(C)CCC[C@@]2(CC(Br)=NO2)C1	ZINC000073157562	717133786	/nfs/dbraw/zinc/13/37/86/717133786.db2.gz	MVNQYRRCWYNGKY-SECBINFHSA-N	1	0	248.144	1.724	1	5		BDBFRO
C[N+]12CC[C@H](C1)[C@]1(CC(Br)=NO1)C2	ZINC000073158891	717133814	/nfs/dbraw/zinc/13/38/14/717133814.db2.gz	YKODYIQNJABODG-ZYKPYLKRSA-N	1	0	246.128	1.334	1	5		BDBFRO
C[C@]1(C[N+](C)(C)C)COC(=O)N1Cl	ZINC000071341492	177465107	/nfs/dbraw/zinc/46/51/07/177465107.db2.gz	RCLQLFHYXYMDTJ-QMMMGPOBSA-N	1	0	207.681	1.057	1	5		BDBFRO
C[N@@+]12CC[C@@H](C1)[C@]1(CC(Br)=NO1)C2	ZINC000254121075	717169775	/nfs/dbraw/zinc/16/97/75/717169775.db2.gz	YKODYIQNJABODG-QOSJWCAFSA-N	1	0	246.128	1.334	1	5		BDBFRO
C[N+]1(C)CCO[C@@](O)(c2ccc(Cl)cc2)C1	ZINC000013605055	717108598	/nfs/dbraw/zinc/10/85/98/717108598.db2.gz	IHQWOCLRVCOUOB-GFCCVEGCSA-N	1	0	242.726	1.592	1	5		BDBFRO
CC(C)[N+](C)(C)CCOc1cccnc1	ZINC000013537750	717108634	/nfs/dbraw/zinc/10/86/34/717108634.db2.gz	PGRQAZSJHLPIHM-UHFFFAOYSA-N	1	0	209.313	1.945	1	5		BDBFRO
C[N+]1(C)CCC[C@]2(CC(Br)=NO2)C1	ZINC000073157556	717133565	/nfs/dbraw/zinc/13/35/65/717133565.db2.gz	MVNQYRRCWYNGKY-VIFPVBQESA-N	1	0	248.144	1.724	1	5		BDBFRO
COc1cc2c(cc1OC)NCC[N+](C)(C)C2	ZINC000169316913	175024595	/nfs/dbraw/zinc/02/45/95/175024595.db2.gz	WHCISMWXESKLQW-UHFFFAOYSA-N	1	0	237.323	1.706	1	5		BDBFRO
C[N+]1(C)CCN(CCc2ccccc2)CC1	ZINC000028961768	717116144	/nfs/dbraw/zinc/11/61/44/717116144.db2.gz	XDRROUUQFBVKBZ-UHFFFAOYSA-N	1	0	219.352	1.621	1	5		BDBFRO
CC[N+](C)(CC)CCN1C=CN(C)/C1=C/N=O	ZINC000148137227	717153651	/nfs/dbraw/zinc/15/36/51/717153651.db2.gz	IKYDUNHBQGIJSC-QXMHVHEDSA-N	1	0	239.343	1.757	1	5		BDBFRO
C[N+]12CC[C@H](C1)[C@@]1(CC(Br)=NO1)C2	ZINC000169356877	187991503	/nfs/dbraw/zinc/99/15/03/187991503.db2.gz	YKODYIQNJABODG-SGAJNUDASA-N	1	0	246.128	1.334	1	5		BDBFRO
C[N+]1(C)CCN(c2ccc(O)cc2)CC1	ZINC000013470073	132309792	/nfs/dbraw/zinc/30/97/92/132309792.db2.gz	WZTKRAMFOXKRHT-UHFFFAOYSA-O	1	0	207.297	1.289	1	5		BDBFRO
C[N+]1(C)CCN(c2cccc(N)c2)CC1	ZINC000013470064	132321753	/nfs/dbraw/zinc/32/17/53/132321753.db2.gz	XFPGZNFHUNNEBL-UHFFFAOYSA-N	1	0	206.313	1.165	1	5		BDBFRO
C[N@@+]12CC[C@@H](C1)[C@@]1(CC(Br)=NO1)C2	ZINC000254121073	717169907	/nfs/dbraw/zinc/16/99/07/717169907.db2.gz	YKODYIQNJABODG-LPBBDHJYSA-N	1	0	246.128	1.334	1	5		BDBFRO
C[N@@H+]1CCC[C@H]1COc1cncc([N+](=O)[O-])c1	ZINC000026569851	173055665	/nfs/dbraw/zinc/05/56/65/173055665.db2.gz	CYXFUNSRJZCZJC-VIFPVBQESA-N	1	0	237.259	1.463	1	5		BDBFRO
C[C@@H](O)c1ccc(NCCC[NH3+])c([N+](=O)[O-])c1	ZINC000169325744	175999506	/nfs/dbraw/zinc/99/95/06/175999506.db2.gz	AZVKVGNQOMESIV-MRVPVSSYSA-N	1	0	239.275	1.409	1	5		BDBFRO
COc1cc(CC[N+](C)(C)C)ccc1O	ZINC000014488426	717110084	/nfs/dbraw/zinc/11/00/84/717110084.db2.gz	XVTYRRFKBXWKCY-UHFFFAOYSA-O	1	0	210.297	1.650	1	5		BDBFRO
C[N+]1(CF)CCO[C@](O)(c2ccccc2)C1	ZINC000028646615	717115628	/nfs/dbraw/zinc/11/56/28/717115628.db2.gz	WBLVUGNHIZMFJB-NBFOIZRFSA-N	1	0	226.271	1.236	1	5		BDBFRO
C[C@@]1(C[N+]2(C)CCCC2)COC(=O)N1Cl	ZINC000071260757	717133193	/nfs/dbraw/zinc/13/31/93/717133193.db2.gz	DMKFBKLGPGCHRP-SNVBAGLBSA-N	1	0	233.719	1.592	1	5		BDBFRO
[NH3+]CCNc1ccnc2cc([N+](=O)[O-])ccc21	ZINC000096928494	181398756	/nfs/dbraw/zinc/39/87/56/181398756.db2.gz	XYZTVTQSVMAIOP-UHFFFAOYSA-N	1	0	232.243	1.514	1	5		BDBFRO
CC[N+](C)(C)C[C@]1(C)COC(=O)N1Cl	ZINC000068206583	717133167	/nfs/dbraw/zinc/13/31/67/717133167.db2.gz	YLONUUSUVFKNSF-SECBINFHSA-N	1	0	221.708	1.447	1	5		BDBFRO
C[N+]1(C)CCCC[C@H]1CN1CCCC1=O	ZINC000013554185	177488302	/nfs/dbraw/zinc/48/83/02/177488302.db2.gz	PTLVXXQLMDEHLP-NSHDSACASA-N	1	0	211.329	1.238	1	5		BDBFRO
CC1(C)CN(CC[N+](C)(C)C)C(=O)N1Cl	ZINC000069061702	717133039	/nfs/dbraw/zinc/13/30/39/717133039.db2.gz	VSOWCGBQFZVGGR-UHFFFAOYSA-N	1	0	234.751	1.363	1	5		BDBFRO
Cc1nc2ncnn2c2c1CC[N+]2(C)C(C)(C)C	ZINC000095561684	180115772	/nfs/dbraw/zinc/11/57/72/180115772.db2.gz	YNCWLOPJJAYTGV-UHFFFAOYSA-N	1	0	246.338	1.724	1	5		BDBFRO
C[N+]1(C)CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000013470068	132321766	/nfs/dbraw/zinc/32/17/66/132321766.db2.gz	RXYSOJWJYCDDHQ-UHFFFAOYSA-N	1	0	236.295	1.491	1	5		BDBFRO
C[C@]1(C[N+]2(C)CCCC2)COC(=O)N1Cl	ZINC000071260756	177465202	/nfs/dbraw/zinc/46/52/02/177465202.db2.gz	DMKFBKLGPGCHRP-JTQLQIEISA-N	1	0	233.719	1.592	1	5		BDBFRO
CC(C)(C[N+]1(C)CCOCC1)N(Cl)Cl	ZINC000043075387	717128499	/nfs/dbraw/zinc/12/84/99/717128499.db2.gz	GWGKSRQUUVGBRJ-UHFFFAOYSA-N	1	0	242.170	1.851	1	5		BDBFRO
C[N@@+]1(CF)CCO[C@](O)(c2ccccc2)C1	ZINC000253656634	717167022	/nfs/dbraw/zinc/16/70/22/717167022.db2.gz	WBLVUGNHIZMFJB-GXTWGEPZSA-N	1	0	226.271	1.236	1	5		BDBFRO
C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nn1	ZINC000013491008	717108664	/nfs/dbraw/zinc/10/86/64/717108664.db2.gz	MZVVCFQYWJKQKI-IUCAKERBSA-N	1	0	239.730	1.167	1	5		BDBFRO
Cc1cc(C2=C[C@H]3CC[C@@H]2[N+]3(C)C)on1	ZINC000073164525	177949264	/nfs/dbraw/zinc/94/92/64/177949264.db2.gz	UQICAXFERRCIPG-KOLCDFICSA-N	1	0	205.281	1.987	1	5		BDBFRO
CC1(C)OC[C@@H](C[N+](C)(C)C)OC1(C)C	ZINC000045348350	717130080	/nfs/dbraw/zinc/13/00/80/717130080.db2.gz	LSXQHQNFAPHROZ-SNVBAGLBSA-N	1	0	216.345	1.665	1	5		BDBFRO
CC[N+](C)(CC)CCN1C=CN(C)/C1=C\N=O	ZINC000209139097	717160714	/nfs/dbraw/zinc/16/07/14/717160714.db2.gz	IKYDUNHBQGIJSC-VAWYXSNFSA-N	1	0	239.343	1.757	1	5		BDBFRO
C[N+]1(C)CCCC[C@@H]1CN1CCCCC1=O	ZINC000013554186	717108580	/nfs/dbraw/zinc/10/85/80/717108580.db2.gz	CGLXAXCGJGNUJX-GFCCVEGCSA-N	1	0	225.356	1.628	1	5		BDBFRO
CCC[N+](C)(C)CCOc1cccnc1	ZINC000013537752	717108585	/nfs/dbraw/zinc/10/85/85/717108585.db2.gz	FXARSCWHJBITRV-UHFFFAOYSA-N	1	0	209.313	1.947	1	5		BDBFRO
COc1cc2c(cc1O)C[N+](C)(C)CC2	ZINC000238771265	717162988	/nfs/dbraw/zinc/16/29/88/717162988.db2.gz	FJYMEJHMGFINTD-UHFFFAOYSA-O	1	0	208.281	1.533	1	5		BDBFRO
C[N@+]1(CF)CCO[C@@](O)(c2ccccc2)C1	ZINC000253656638	717167167	/nfs/dbraw/zinc/16/71/67/717167167.db2.gz	WBLVUGNHIZMFJB-OCCSQVGLSA-N	1	0	226.271	1.236	1	5		BDBFRO
C[C@@]1(C[N+](C)(C)C)COC(=O)N1Cl	ZINC000071341493	176534545	/nfs/dbraw/zinc/53/45/45/176534545.db2.gz	RCLQLFHYXYMDTJ-MRVPVSSYSA-N	1	0	207.681	1.057	1	5		BDBFRO
C[N+](C)(C)CCOC(=O)Nc1ccncc1	ZINC000028977277	717116269	/nfs/dbraw/zinc/11/62/69/717116269.db2.gz	ABKKPNBHJUSEOK-UHFFFAOYSA-O	1	0	224.284	1.336	1	5		BDBFRO
CC1(C)Oc2ccc([N+](=O)[O-])cc2[C@@H]([NH3+])[C@@H]1O	ZINC000029331809	188110407	/nfs/dbraw/zinc/11/04/07/188110407.db2.gz	QCENTZQRUWWDBU-ZJUUUORDSA-N	1	0	238.243	1.127	1	5		BDBFRO
C[N+]1(C)CCN(c2ccc(Cl)nn2)CC1	ZINC000000009087	132312423	/nfs/dbraw/zinc/31/24/23/132312423.db2.gz	NNCZVCVLBMARHS-UHFFFAOYSA-N	1	0	227.719	1.026	1	5		BDBFRO
COC1=NO[C@]2(C1)C[C@H]1CC[C@@H](C2)[N+]1(C)C	ZINC000103043329	174014380	/nfs/dbraw/zinc/01/43/80/174014380.db2.gz	KTXVHZUCAJXWAS-PEGIJTEDSA-N	1	0	225.312	1.507	1	5		BDBFRO
C[N+]1(C[18F])CCO[C@@](O)(c2ccccc2)C1	ZINC000101082758	177487904	/nfs/dbraw/zinc/48/79/04/177487904.db2.gz	WBLVUGNHIZMFJB-YOUSMMCSSA-N	1	0	225.274	1.236	1	5		BDBFRO
C[N+]1(C[18F])CCO[C@](O)(c2ccccc2)C1	ZINC000101082756	177488504	/nfs/dbraw/zinc/48/85/04/177488504.db2.gz	WBLVUGNHIZMFJB-MAGDOEHUSA-N	1	0	225.274	1.236	1	5		BDBFRO
C[C@H]1O[C@@H]([C@@H]2CCC[N+]2(C)C)CS1	ZINC000013840322	717109817	/nfs/dbraw/zinc/10/98/17/717109817.db2.gz	QHGCBDFMJKJBOZ-LPEHRKFASA-N	1	0	202.343	1.703	1	5		BDBFRO
C[C@@H]1O[C@H]([C@H]2CCC[N+]2(C)C)CS1	ZINC000013840324	717110184	/nfs/dbraw/zinc/11/01/84/717110184.db2.gz	QHGCBDFMJKJBOZ-BBBLOLIVSA-N	1	0	202.343	1.703	1	5		BDBFRO
C[C@@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C	ZINC000045348821	717129958	/nfs/dbraw/zinc/12/99/58/717129958.db2.gz	BNQYUZVIPASURO-VHSXEESVSA-N	1	0	202.318	1.275	1	5		BDBFRO
C[N+]1(C)C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2	ZINC000000526228	717087814	/nfs/dbraw/zinc/08/78/14/717087814.db2.gz	QTCHKCVTZGJHQN-QWRGUYRKSA-N	1	0	219.308	1.042	1	5		BDBFRO
C[N+]1(C)CCCC[C@@H]1CN1CCCC1=O	ZINC000013554184	717108628	/nfs/dbraw/zinc/10/86/28/717108628.db2.gz	PTLVXXQLMDEHLP-LLVKDONJSA-N	1	0	211.329	1.238	1	5		BDBFRO
C[N+]1(C)CCC2(CN(Cl)C(=O)O2)CC1	ZINC000068206582	717133209	/nfs/dbraw/zinc/13/32/09/717133209.db2.gz	ULJXOHIQVWFQJJ-UHFFFAOYSA-N	1	0	219.692	1.201	1	5		BDBFRO
Cc1ccccc1N1CC[N+](C)(C)CC1	ZINC000013470046	717107680	/nfs/dbraw/zinc/10/76/80/717107680.db2.gz	DGWCPYPTJHCJDI-UHFFFAOYSA-N	1	0	205.325	1.891	1	5		BDBFRO
C[N+]1(CF)CCO[C@@](O)(c2ccccc2)C1	ZINC000028646612	717115644	/nfs/dbraw/zinc/11/56/44/717115644.db2.gz	WBLVUGNHIZMFJB-PUODRLBUSA-N	1	0	226.271	1.236	1	5		BDBFRO
C[N+]12CC[C@@H](C1)[C@@]1(CC(Br)=NO1)C2	ZINC000169356876	187645689	/nfs/dbraw/zinc/64/56/89/187645689.db2.gz	YKODYIQNJABODG-KCWAGMIYSA-N	1	0	246.128	1.334	1	5		BDBFRO
Cc1cccc(N2CC[N+](C)(C)CC2)c1	ZINC000013470051	132321553	/nfs/dbraw/zinc/32/15/53/132321553.db2.gz	RXYPEZWSFHKUQM-UHFFFAOYSA-N	1	0	205.325	1.891	1	5		BDBFRO
O=[N+]([O-])c1ccc(N2C[C@H]3C[C@@H](C2)[NH2+]3)cc1	ZINC000040894784	132348850	/nfs/dbraw/zinc/34/88/50/132348850.db2.gz	PXAFGZLHQCJYKN-DTORHVGOSA-N	1	0	219.244	1.145	1	5		BDBFRO
C[N+]1(C)CCC[C@H]1CN1CCCCC1=O	ZINC000013554183	717108692	/nfs/dbraw/zinc/10/86/92/717108692.db2.gz	WETMWBDQWONVAD-NSHDSACASA-N	1	0	211.329	1.238	1	5		BDBFRO
COc1ccc(OCC[N+](C)(C)C)cn1	ZINC000013537761	717108713	/nfs/dbraw/zinc/10/87/13/717108713.db2.gz	WDFGKOMYZNVUEJ-UHFFFAOYSA-N	1	0	211.285	1.175	1	5		BDBFRO
[NH3+][C@H]1CCO[C@@H](c2cccc([N+](=O)[O-])c2)OC1	ZINC000028877615	181653081	/nfs/dbraw/zinc/65/30/81/181653081.db2.gz	XLRJFTGVSFGFIX-GXSJLCMTSA-N	1	0	238.243	1.358	1	5		BDBFRO
CC[C@H](C)C(=O)OC[N+]1(C)CCCC1	ZINC000027526364	171256603	/nfs/dbraw/zinc/25/66/03/171256603.db2.gz	KZVUPNHCEPTFSP-JTQLQIEISA-N	1	0	200.302	1.774	1	5		BDBFRO
C[N+](C)(C)C[C@@H]1COC[C@H](c2ccccc2)O1	ZINC000084652766	177486488	/nfs/dbraw/zinc/48/64/88/177486488.db2.gz	VPBHPXZSVKLGMA-ZIAGYGMSSA-N	1	0	236.335	1.849	1	5		BDBFRO
C[N+]1(C)CCCN(c2ccc(Cl)nn2)CC1	ZINC000013491011	717108621	/nfs/dbraw/zinc/10/86/21/717108621.db2.gz	NLFWMGSRIXQHBL-UHFFFAOYSA-N	1	0	241.746	1.417	1	5		BDBFRO
C[N+]1(C)C[C@H]2C[C@@H]1CN2c1ccc(Cl)nn1	ZINC000027310189	717114859	/nfs/dbraw/zinc/11/48/59/717114859.db2.gz	MZVVCFQYWJKQKI-RKDXNWHRSA-N	1	0	239.730	1.167	1	5		BDBFRO
Cc1cc([N+](=O)[O-])cc(C)c1NC1=[NH+]CCN1	ZINC000028359963	178270163	/nfs/dbraw/zinc/27/01/63/178270163.db2.gz	GFVADYUATPPOLR-UHFFFAOYSA-N	1	0	234.259	1.583	1	5		BDBFRO
C[N+]12CC[C@@H](C1)[C@]1(CC(Br)=NO1)C2	ZINC000073158886	717133756	/nfs/dbraw/zinc/13/37/56/717133756.db2.gz	YKODYIQNJABODG-OPXAYGOOSA-N	1	0	246.128	1.334	1	5		BDBFRO
CCOC1=NO[C@]2(C1)C[C@H]1CC[C@@H](C2)[N+]1(C)C	ZINC000101551393	170320919	/nfs/dbraw/zinc/32/09/19/170320919.db2.gz	SIXIPRQNIBAUJC-PTEHBNRSSA-N	1	0	239.339	1.897	1	5		BDBFRO
COc1cc([N+](=O)[O-])c(OC)cc1C[C@H](C)[NH3+]	ZINC000006020975	175017600	/nfs/dbraw/zinc/01/76/00/175017600.db2.gz	JQJRESSXOVAECC-ZETCQYMHSA-N	1	0	240.259	1.502	1	5		BDBFRO
CC(=O)Nc1cccc(N2CC[N+](C)(C)CC2)c1	ZINC000013470066	534753457	/nfs/dbraw/zinc/75/34/57/534753457.db2.gz	FCNWMQKROFOVHB-UHFFFAOYSA-O	1	0	248.350	1.541	1	5		BDBFRO
CC(C)SC(=O)OCC[N+](C)(C)C	ZINC000026823348	167320482	/nfs/dbraw/zinc/32/04/82/167320482.db2.gz	GWAPYWIXLRQKEA-UHFFFAOYSA-N	1	0	206.331	1.971	1	5		BDBFRO
CCC[N+](C)(C)C[C@@]1(C)COC(=O)N1Cl	ZINC000071359433	717133202	/nfs/dbraw/zinc/13/32/02/717133202.db2.gz	IWAAGYNQFWFPHH-JTQLQIEISA-N	1	0	235.735	1.838	1	5		BDBFRO
C[N+](C)(C)c1ccc2c(c1)C=CS(=O)(=O)O2	ZINC000299844523	717181286	/nfs/dbraw/zinc/18/12/86/717181286.db2.gz	CLFSNRGLJNSYNN-UHFFFAOYSA-N	1	0	240.304	1.576	1	5		BDBFRO
C[N+]1(C)C[C@H]2C[C@@H]1CN2c1ccc(Cl)nc1	ZINC000028708883	717115626	/nfs/dbraw/zinc/11/56/26/717115626.db2.gz	HBGYGDPEMJQNII-GHMZBOCLSA-N	1	0	238.742	1.772	1	5		BDBFRO
CC[C@@H](C)C(=O)OC[N+]1(C)CCCC1	ZINC000027526362	717114533	/nfs/dbraw/zinc/11/45/33/717114533.db2.gz	KZVUPNHCEPTFSP-SNVBAGLBSA-N	1	0	200.302	1.774	1	5		BDBFRO
C[C@H]1O[C@@H]([C@H]2CCC[N+]2(C)C)CS1	ZINC000013840328	717109779	/nfs/dbraw/zinc/10/97/79/717109779.db2.gz	QHGCBDFMJKJBOZ-IVZWLZJFSA-N	1	0	202.343	1.703	1	5		BDBFRO
CCC/C=C/C(=O)OCC[N+](C)(C)C	ZINC000085589703	571785130	/nfs/dbraw/zinc/78/51/30/571785130.db2.gz	FEBXWAFFYJZFMS-BQYQJAHWSA-N	1	0	200.302	1.592	1	5	endogenous,in-man	BDBFRO
C[N+]1(C)C[C@H]2C[C@H](Cn3c(=O)cccc32)C1	ZINC000005764772	717101797	/nfs/dbraw/zinc/10/17/97/717101797.db2.gz	QTCHKCVTZGJHQN-GHMZBOCLSA-N	1	0	219.308	1.042	1	5		BDBFRO
Cc1nc2ncnn2c2c1CC[N@+]2(C)C(C)(C)C	ZINC000254133716	717170209	/nfs/dbraw/zinc/17/02/09/717170209.db2.gz	YNCWLOPJJAYTGV-SFHVURJKSA-N	1	0	246.338	1.724	1	5		BDBFRO
C[N+]1(C)CCN(c2ccc(F)cc2)CC1	ZINC000013470070	132321582	/nfs/dbraw/zinc/32/15/82/132321582.db2.gz	XWNDBFKGLWHCOA-UHFFFAOYSA-N	1	0	209.288	1.722	1	5		BDBFRO
C[N+]1(C)C[C@@H]2C[C@H]1CN2c1ccc(Cl)nc1	ZINC000028708885	717115805	/nfs/dbraw/zinc/11/58/05/717115805.db2.gz	HBGYGDPEMJQNII-QWRGUYRKSA-N	1	0	238.742	1.772	1	5		BDBFRO
C[N@@+]1(CF)CCO[C@@](O)(c2ccccc2)C1	ZINC000253656641	717167195	/nfs/dbraw/zinc/16/71/95/717167195.db2.gz	WBLVUGNHIZMFJB-TZMCWYRMSA-N	1	0	226.271	1.236	1	5		BDBFRO
Cc1ncc([N+](=O)[O-])n1CC[n+]1ccccc1	ZINC000004032143	180175711	/nfs/dbraw/zinc/17/57/11/180175711.db2.gz	RNNSZIOJHWINFW-UHFFFAOYSA-N	1	0	233.251	1.087	1	5		BDBFRO
COc1cc([N+](=O)[O-])c(OC)cc1C[C@@H](C)[NH3+]	ZINC000006036794	175017613	/nfs/dbraw/zinc/01/76/13/175017613.db2.gz	JQJRESSXOVAECC-SSDOTTSWSA-N	1	0	240.259	1.502	1	5		BDBFRO
C[C@H](O)c1ccc(NCCC[NH3+])c([N+](=O)[O-])c1	ZINC000169325748	177017194	/nfs/dbraw/zinc/01/71/94/177017194.db2.gz	AZVKVGNQOMESIV-QMMMGPOBSA-N	1	0	239.275	1.409	1	5		BDBFRO
C[C@@H]1O[C@H](C[N+](C)(C)C)COC1(C)C	ZINC000045350480	717129896	/nfs/dbraw/zinc/12/98/96/717129896.db2.gz	BYUATYGHJAYLEQ-VHSXEESVSA-N	1	0	202.318	1.275	1	5		BDBFRO
CCC[N+](C)(C)C[C@]1(C)COC(=O)N1Cl	ZINC000071359431	717133080	/nfs/dbraw/zinc/13/30/80/717133080.db2.gz	IWAAGYNQFWFPHH-SNVBAGLBSA-N	1	0	235.735	1.838	1	5		BDBFRO
Cc1nc2ncnn2c2c1CC[N@@+]2(C)C(C)(C)C	ZINC000254133714	717170298	/nfs/dbraw/zinc/17/02/98/717170298.db2.gz	YNCWLOPJJAYTGV-GOSISDBHSA-N	1	0	246.338	1.724	1	5		BDBFRO
CCCSC(=O)OCC[N+](C)(C)C	ZINC000013765270	169334987	/nfs/dbraw/zinc/33/49/87/169334987.db2.gz	FWIQOYKQYAXPQZ-UHFFFAOYSA-N	1	0	206.331	1.972	1	5		BDBFRO
COc1cccc(N2CC[N+](C)(C)CC2)c1	ZINC000013470061	132321599	/nfs/dbraw/zinc/32/15/99/132321599.db2.gz	HVFVYNUWEYJBMZ-UHFFFAOYSA-N	1	0	221.324	1.592	1	5		BDBFRO
C[N@@H+]1CCC[C@H]1COc1cccnc1[N+](=O)[O-]	ZINC000026570332	173057367	/nfs/dbraw/zinc/05/73/67/173057367.db2.gz	LSUGHUYGLJQRQT-VIFPVBQESA-N	1	0	237.259	1.463	1	5		BDBFRO
C[N+]1(C)CCN2CCc3cccc(c32)C1	ZINC000169316915	177488055	/nfs/dbraw/zinc/48/80/55/177488055.db2.gz	QMCKMKZYZPHTSN-UHFFFAOYSA-N	1	0	203.309	1.639	1	5		BDBFRO
C[N+](C)(C)C[C@@H]1COC[C@@H](c2ccccc2)O1	ZINC000084712665	717135783	/nfs/dbraw/zinc/13/57/83/717135783.db2.gz	VPBHPXZSVKLGMA-KGLIPLIRSA-N	1	0	236.335	1.849	1	5		BDBFRO
C[N@+]1(CF)CCO[C@](O)(c2ccccc2)C1	ZINC000253656637	717167095	/nfs/dbraw/zinc/16/70/95/717167095.db2.gz	WBLVUGNHIZMFJB-JSGCOSHPSA-N	1	0	226.271	1.236	1	5		BDBFRO
C[N+]1(C)CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004773771	132316970	/nfs/dbraw/zinc/31/69/70/132316970.db2.gz	ZLCJQDLKZWJRLU-UHFFFAOYSA-N	1	0	236.295	1.491	1	5		BDBFRO
CC(=O)Oc1cccc(N2CC[N+](C)(C)CC2)c1	ZINC000013470063	132321748	/nfs/dbraw/zinc/32/17/48/132321748.db2.gz	CYKVIZLRIVLRTI-UHFFFAOYSA-N	1	0	249.334	1.508	1	5		BDBFRO
C[C@H]1OC[C@@H](C[N+](C)(C)C)OC1(C)C	ZINC000045347814	717130098	/nfs/dbraw/zinc/13/00/98/717130098.db2.gz	BNQYUZVIPASURO-NXEZZACHSA-N	1	0	202.318	1.275	1	5		BDBFRO
CC[N+](C)(C)C[C@@]1(C)COC(=O)N1Cl	ZINC000068206585	717133251	/nfs/dbraw/zinc/13/32/51/717133251.db2.gz	YLONUUSUVFKNSF-VIFPVBQESA-N	1	0	221.708	1.447	1	5		BDBFRO
C[N+]1(C)CCN(c2cccc(O)c2)CC1	ZINC000013470059	132321637	/nfs/dbraw/zinc/32/16/37/132321637.db2.gz	MXNXHAQQNBGUEJ-UHFFFAOYSA-O	1	0	207.297	1.289	1	5		BDBFRO
C[N+]1(C)CCN(c2cccc(F)c2)CC1	ZINC000013470053	132321650	/nfs/dbraw/zinc/32/16/50/132321650.db2.gz	CCFWSRUAQMUCLR-UHFFFAOYSA-N	1	0	209.288	1.722	1	5		BDBFRO
C[C@@H]1O[C@H]([C@@H]2CCC[N+]2(C)C)CS1	ZINC000013840326	717110091	/nfs/dbraw/zinc/11/00/91/717110091.db2.gz	QHGCBDFMJKJBOZ-UTLUCORTSA-N	1	0	202.343	1.703	1	5		BDBFRO
C[N+](C)(C)CCNC(=O)c1ccccc1	ZINC000142281315	717152504	/nfs/dbraw/zinc/15/25/04/717152504.db2.gz	IRYHZWMHRTZKFG-UHFFFAOYSA-O	1	0	207.297	1.123	3	5		BDBFRO
C[N+](C)(C)CCCN1C(=O)c2ccccc2C1=O	ZINC000026987848	717114030	/nfs/dbraw/zinc/11/40/30/717114030.db2.gz	ITUYZKDPJCZALT-UHFFFAOYSA-N	1	0	247.318	1.379	1	5		BDBFRO
C[N+](C)(C)CCOc1ccc(Cl)nc1	ZINC000013537755	717108444	/nfs/dbraw/zinc/10/84/44/717108444.db2.gz	MUJLHZTZPCGSES-UHFFFAOYSA-N	1	0	215.704	1.820	1	5		BDBFRO
C[N+]1(C)CCCC[C@H]1CN1CCCCC1=O	ZINC000013554187	717108720	/nfs/dbraw/zinc/10/87/20/717108720.db2.gz	CGLXAXCGJGNUJX-LBPRGKRZSA-N	1	0	225.356	1.628	1	5		BDBFRO
Cn1c(C(C)(C)[n+]2ccccc2)cnc1[N+](=O)[O-]	ZINC000169342242	180615425	/nfs/dbraw/zinc/61/54/25/180615425.db2.gz	FAZRJEYKXUTKHC-UHFFFAOYSA-N	1	0	247.278	1.399	1	5		BDBFRO
O=C1N[N+]2(CCCCC2)c2ccccc21	ZINC000038918847	182822383	/nfs/dbraw/zinc/82/23/83/182822383.db2.gz	DAUJFXSGFPIEAO-UHFFFAOYSA-O	1	0	203.265	1.836	1	5		BDBFRO
CC(=O)c1ccc(N2CC[N+](C)(C)CC2)cc1	ZINC000013470076	132321610	/nfs/dbraw/zinc/32/16/10/132321610.db2.gz	IWEVMLJSRTWAJA-UHFFFAOYSA-N	1	0	233.335	1.786	1	5		BDBFRO
C[C@@H](Cc1ccccc1)[N+](C)(C)CCO	ZINC000027184673	717114802	/nfs/dbraw/zinc/11/48/02/717114802.db2.gz	VUKXOSYQZPRYMC-LBPRGKRZSA-N	1	0	208.325	1.686	1	5		BDBFRO