smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(CCC(c1ccccc1)c1ccccc1)C[C@H]1CCC(=O)O1	ZINC000068605937	563963266	/nfs/dbraw/zinc/96/32/66/563963266.db2.gz	PIBNDNDUAMKQRL-HXUWFJFHSA-N	1	0	338.471	3.991	40	5		EHBBRO
O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000021428582	202065511	/nfs/dbraw/zinc/06/55/11/202065511.db2.gz	LXRNPLQXTWJKIP-UHFFFAOYSA-N	1	0	334.335	3.986	40	5		EHBBRO
CC[N+](C)(CC)CCCn1c(=O)c2ccccc2n1-c1ccccc1	ZINC000005477018	201652645	/nfs/dbraw/zinc/65/26/45/201652645.db2.gz	PIGCHBTYNVEVLD-UHFFFAOYSA-N	1	0	338.475	3.669	40	5		EHBBRO
C[C@H]1CCCC(C)(C)[C@@H]1[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710517	564082864	/nfs/dbraw/zinc/08/28/64/564082864.db2.gz	RYDSYTGGQKSXPJ-XJKSGUPXSA-N	1	0	334.416	3.556	40	5		EHBBRO
C[N+]1(CCOC(=O)[C@H](c2ccccc2)[C@H]2C=CCCC2)CCCC1	ZINC000001648475	201514878	/nfs/dbraw/zinc/51/48/78/201514878.db2.gz	ZSVLSIZLYQWEOE-VQTJNVASSA-N	1	0	328.476	3.910	40	5		EHBBRO
C[N+](C)(Cc1ccccc1)C[C@H](O)COC12CC3CC(CC(C3)C1)C2	ZINC000036640192	201959814	/nfs/dbraw/zinc/95/98/14/201959814.db2.gz	ODZQGLADUJKUNV-DLBGWFIVSA-N	1	0	344.519	3.609	40	5		EHBBRO
[NH3+]CCCCCNc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1	ZINC000045206852	564028230	/nfs/dbraw/zinc/02/82/30/564028230.db2.gz	YDKPIHPFTALIAB-UHFFFAOYSA-N	1	0	339.399	3.679	40	5		EHBBRO
CC(=O)O[C@@H]1C[N+]2(C(c3ccccc3)c3ccccc3)CCC1CC2	ZINC000004771399	563510832	/nfs/dbraw/zinc/51/08/32/563510832.db2.gz	DTDXAOMAXIGTTL-JRSYVHTFSA-N	1	0	336.455	3.948	40	5		EHBBRO
CC[N+](C)(C)Cc1cccc(Cc2ccccc2)c1OC(=O)N(C)C	ZINC000001707017	563405653	/nfs/dbraw/zinc/40/56/53/563405653.db2.gz	XSSPXJBVGBMMJW-UHFFFAOYSA-N	1	0	341.475	3.934	40	5		EHBBRO
CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)CC[N+](C)(C)Cc1ccccc1)C2	ZINC000005144224	563521268	/nfs/dbraw/zinc/52/12/68/563521268.db2.gz	FSTDREHWJDBHBH-CNNODRBYSA-O	1	0	343.535	3.984	40	5		EHBBRO
CC[NH+](CC)Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000000568273	564023229	/nfs/dbraw/zinc/02/32/29/564023229.db2.gz	JWRSKUJCXFAPKC-UHFFFAOYSA-N	1	0	341.411	3.997	40	5		EHBBRO
OC(c1cccs1)(c1cccs1)[C@H]1C[N+]2(CF)CCC1CC2	ZINC000000795905	563998252	/nfs/dbraw/zinc/99/82/52/563998252.db2.gz	NFLUVYAVLUKKPH-BIWSTMPVSA-N	1	0	338.493	3.829	40	5		EHBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]C/C=C/c2ccccc2)c(Cl)c1	ZINC000016450933	564087005	/nfs/dbraw/zinc/08/70/05/564087005.db2.gz	FKCOYYWEIJNFCP-QPJJXVBHSA-N	1	0	331.803	3.963	40	5		EHBBRO
CC1CC[N+](C)(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CC1	ZINC000226072276	205114622	/nfs/dbraw/zinc/11/46/22/205114622.db2.gz	KHSBOKDCGYSKQR-STDCAVTESA-N	1	0	340.487	3.970	40	5		EHBBRO
CC[N+](C)(CC)CCOC(=O)C1c2ccccc2Oc2ccccc21	ZINC000001530932	563391326	/nfs/dbraw/zinc/39/13/26/563391326.db2.gz	GZHFODJQISUKAY-UHFFFAOYSA-N	1	0	340.443	3.954	40	5	world	EHBBRO
COc1cc2ccc3c4cc5c(cc4c[n+](C)c3c2cc1OC)OCO5	ZINC000005064888	563520512	/nfs/dbraw/zinc/52/05/12/563520512.db2.gz	QUEGGZAZNBFYKI-UHFFFAOYSA-N	1	0	348.378	3.717	40	5		EHBBRO
CC(C)[C@H]1CCC[C@H](C)[C@H]1[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005047559	563994008	/nfs/dbraw/zinc/99/40/08/563994008.db2.gz	XLLBYNHHSGPNFO-BMGDILEWSA-N	1	0	348.443	3.802	40	5		EHBBRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000255189794	201188449	/nfs/dbraw/zinc/18/84/49/201188449.db2.gz	SBXOFLUZOJPYBP-SHTZXODSSA-N	1	0	349.431	3.520	40	5		EHBBRO
COc1cc2cc3c4cc5c(cc4cc[n+]3c(C)c2cc1OC)OCO5	ZINC000001615071	563396797	/nfs/dbraw/zinc/39/67/97/563396797.db2.gz	PVZJTOJNXZIMGP-UHFFFAOYSA-N	1	0	348.378	3.786	40	5		EHBBRO
COc1cc(C)c2sc3ccccc3c(=O)c2c1NCC[NH+](C)C	ZINC000005390093	563530754	/nfs/dbraw/zinc/53/07/54/563530754.db2.gz	NNLKMQJWJGRZDP-UHFFFAOYSA-N	1	0	342.464	3.705	40	5		EHBBRO
Cn1c(-c2cccc([N+](=O)[O-])c2)c[nH+]c1NCc1ccc(F)cc1	ZINC000000819089	201055479	/nfs/dbraw/zinc/05/54/79/201055479.db2.gz	DTMXBMNYGZGIMC-UHFFFAOYSA-N	1	0	326.331	3.747	40	5		EHBBRO
CCOc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@@H]23)cc1	ZINC000245231670	564124126	/nfs/dbraw/zinc/12/41/26/564124126.db2.gz	HTVCYFWSVJCEMB-HFSMHLIXSA-N	1	0	332.464	3.651	40	5		EHBBRO
CC(C)(C)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000329043810	564137649	/nfs/dbraw/zinc/13/76/49/564137649.db2.gz	SVAUDBPMFLUIBN-UHFFFAOYSA-N	1	0	341.415	3.507	40	5		EHBBRO
CC(C)CC(CC(C)C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710559	201517594	/nfs/dbraw/zinc/51/75/94/201517594.db2.gz	WFSCSAPPGCLNDN-UHFFFAOYSA-N	1	0	336.432	3.802	40	5		EHBBRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C[NH+]2CCCC2)cc1	ZINC000010335485	564127750	/nfs/dbraw/zinc/12/77/50/564127750.db2.gz	PAPSQQNVNVLTOC-UHFFFAOYSA-N	1	0	339.395	3.751	40	5		EHBBRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1	ZINC000255187350	201187525	/nfs/dbraw/zinc/18/75/25/201187525.db2.gz	CXNACXCZPIMRBG-SHTZXODSSA-N	1	0	349.431	3.520	40	5		EHBBRO
C[N+]1(C)[C@@H]2CC[C@H]1CC(OC(=O)C1(c3ccccc3)CCCC1)C2	ZINC000012371968	207125899	/nfs/dbraw/zinc/12/58/99/207125899.db2.gz	IOFDNVXRSUAVQX-DFNIBXOVSA-N	1	0	328.476	3.811	40	5		EHBBRO
CC(C)[C@@H]1CCC[C@@H](C)[C@H]1[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005047560	201636250	/nfs/dbraw/zinc/63/62/50/201636250.db2.gz	XLLBYNHHSGPNFO-FHLIZLRMSA-N	1	0	348.443	3.802	40	5		EHBBRO
CCN(CCC[N+](C)(C)C)C(=O)C(c1ccccc1)c1ccccc1	ZINC000001726490	563407620	/nfs/dbraw/zinc/40/76/20/563407620.db2.gz	HWSFQTLLVWLZRR-UHFFFAOYSA-N	1	0	339.503	3.763	40	5		EHBBRO
CCOc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000008324091	564164340	/nfs/dbraw/zinc/16/43/40/564164340.db2.gz	SOQZEHUKJKKKNK-UHFFFAOYSA-N	1	0	349.818	3.849	40	5		EHBBRO
Cc1ccccc1-[n+]1c2cc(N)c(C)cc2nc2cc(C)c(N)cc21	ZINC000004366134	210180785	/nfs/dbraw/zinc/18/07/85/210180785.db2.gz	DCSKVOAFQUJVDK-UHFFFAOYSA-O	1	0	329.427	3.754	40	5		EHBBRO
CC(C)(C)Nc1nc(NCc2cccc([N+](=O)[O-])c2)cc(C2CC2)[nH+]1	ZINC000329061690	257901442	/nfs/dbraw/zinc/90/14/42/257901442.db2.gz	WSOWVBMMRKPQSU-UHFFFAOYSA-N	1	0	341.415	3.507	40	5		EHBBRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000100809683	219107196	/nfs/dbraw/zinc/10/71/96/219107196.db2.gz	SBXOFLUZOJPYBP-GASCZTMLSA-N	1	0	349.431	3.520	40	5		EHBBRO
COc1ccccc1/C=C/C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000004028555	210103529	/nfs/dbraw/zinc/10/35/29/210103529.db2.gz	HXWREKZJCQRPNT-ZGYASQIDSA-N	1	0	344.475	3.661	40	5		EHBBRO
CC[NH+](CC)CCNc1ccc(N)c2sc3ccccc3c(=O)c12	ZINC000005386441	563530602	/nfs/dbraw/zinc/53/06/02/563530602.db2.gz	PQCVMZLKMPHEJJ-UHFFFAOYSA-N	1	0	341.480	3.751	40	5		EHBBRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1	ZINC000100809692	219106993	/nfs/dbraw/zinc/10/69/93/219106993.db2.gz	CXNACXCZPIMRBG-GASCZTMLSA-N	1	0	349.431	3.520	40	5		EHBBRO
OC(c1cccs1)(c1cccs1)[C@@H]1C[N+]2(CF)CCC1CC2	ZINC000000795907	563998275	/nfs/dbraw/zinc/99/82/75/563998275.db2.gz	NFLUVYAVLUKKPH-SHYRYGCCSA-N	1	0	338.493	3.829	40	5		EHBBRO
COc1cc2[nH+]ccc(Nc3cccc([N+](=O)[O-])c3)c2cc1OC	ZINC000065005285	564099505	/nfs/dbraw/zinc/09/95/05/564099505.db2.gz	XSXXNPWKCAXWRW-UHFFFAOYSA-N	1	0	325.324	3.904	40	5		EHBBRO
C[C@H](CC(C(=O)N(C)C)(c1ccccc1)c1ccccc1)[N+](C)(C)C	ZINC000001655424	209775798	/nfs/dbraw/zinc/77/57/98/209775798.db2.gz	USNNFBBCULLYBK-GOSISDBHSA-N	1	0	339.503	3.546	40	5		EHBBRO
CC(=O)O[C@H]1C[N+]2(C(c3ccccc3)c3ccccc3)CCC1CC2	ZINC000001742442	563409305	/nfs/dbraw/zinc/40/93/05/563409305.db2.gz	DTDXAOMAXIGTTL-STDCAVTESA-N	1	0	336.455	3.948	40	5		EHBBRO
CC[N+](CC)(CC)CCC(C(N)=O)(c1ccccc1)c1ccccc1	ZINC000001700054	563404641	/nfs/dbraw/zinc/40/46/41/563404641.db2.gz	ISJAVQCVVKKNHU-UHFFFAOYSA-O	1	0	339.503	3.725	40	5		EHBBRO
CCC[C@@H]1c2c3c(ccc2CC[N+]1(C)CCN(CC)CC)OCO3	ZINC000001676598	563402324	/nfs/dbraw/zinc/40/23/24/563402324.db2.gz	WCAQQGAONCJZTF-PLEWWHCXSA-N	1	0	333.496	3.601	40	5		EHBBRO
Cc1ccsc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000016363171	564082445	/nfs/dbraw/zinc/08/24/45/564082445.db2.gz	MHKAGCOHGSIGBZ-UHFFFAOYSA-N	1	0	325.821	3.820	40	5		EHBBRO
C[C@@H]1CCCC(C)(C)[C@H]1[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710516	564082865	/nfs/dbraw/zinc/08/28/65/564082865.db2.gz	RYDSYTGGQKSXPJ-CJNGLKHVSA-N	1	0	334.416	3.556	40	5		EHBBRO
Cc1ccc(OC[C@@H](O)C[N+]2(C)CCC(C)CC2)c(C(C)(C)C)c1	ZINC000226071694	242088147	/nfs/dbraw/zinc/08/81/47/242088147.db2.gz	BIULOFRXLOZTTG-OJCRERRGSA-N	1	0	334.524	3.909	40	5		EHBBRO
CC(C)(C)Nc1nc(NCc2ccc([N+](=O)[O-])cc2)cc(C2CC2)[nH+]1	ZINC000328971671	257909564	/nfs/dbraw/zinc/90/95/64/257909564.db2.gz	DRXSHEPZRVDOID-UHFFFAOYSA-N	1	0	341.415	3.507	40	5		EHBBRO
Cc1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc1[N+](=O)[O-]	ZINC000000514893	564020035	/nfs/dbraw/zinc/02/00/35/564020035.db2.gz	OOMVKDURWDTMFU-UHFFFAOYSA-N	1	0	339.395	3.751	40	5		EHBBRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000100809689	219107387	/nfs/dbraw/zinc/10/73/87/219107387.db2.gz	MKXQVIXAZHCMFB-GASCZTMLSA-N	1	0	349.431	3.520	40	5		EHBBRO
CC(=O)O[C@@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000004958178	210338779	/nfs/dbraw/zinc/33/87/79/210338779.db2.gz	VGYQAROAOQJFSS-BXWFABGCSA-N	1	0	346.427	3.711	40	5		EHBBRO
C[NH+](C)[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005395448	564003445	/nfs/dbraw/zinc/00/34/45/564003445.db2.gz	GEEBCUORPIVGFD-LMSBXDPUSA-N	1	0	346.427	3.651	40	5		EHBBRO
CCOc1ccc(Cl)cc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1	ZINC000006870517	564099830	/nfs/dbraw/zinc/09/98/30/564099830.db2.gz	JRDHWEAQFMTOBA-UHFFFAOYSA-N	1	0	349.818	3.849	40	5		EHBBRO
Cc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)s1	ZINC000008551024	564165664	/nfs/dbraw/zinc/16/56/64/564165664.db2.gz	FRHXFBSXFCQYNV-UHFFFAOYSA-N	1	0	325.821	3.820	40	5		EHBBRO
CCOc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000004610454	210232468	/nfs/dbraw/zinc/23/24/68/210232468.db2.gz	HTVCYFWSVJCEMB-FOHCZPNYSA-N	1	0	332.464	3.651	40	5		EHBBRO
CCC[C@H]1c2c3c(ccc2CC[N+]1(C)CCN(CC)CC)OCO3	ZINC000001676597	563402316	/nfs/dbraw/zinc/40/23/16/563402316.db2.gz	WCAQQGAONCJZTF-LBOXEOMUSA-N	1	0	333.496	3.601	40	5		EHBBRO
Cc1c(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000010434087	564127801	/nfs/dbraw/zinc/12/78/01/564127801.db2.gz	OGEZJOBIQKNFQM-UHFFFAOYSA-N	1	0	339.395	3.751	40	5		EHBBRO
C[N+](C)(Cc1ccccc1)C[C@@H](O)COC12CC3CC(CC(C3)C1)C2	ZINC000036640193	213106730	/nfs/dbraw/zinc/10/67/30/213106730.db2.gz	ODZQGLADUJKUNV-SWXIYASGSA-N	1	0	344.519	3.609	40	5		EHBBRO
CC(=O)O[C@@H]1C[N+](C)(C)CCCC1(c1ccccc1)c1ccccc1	ZINC000001577627	563393495	/nfs/dbraw/zinc/39/34/95/563393495.db2.gz	ALHRWGDVCOMFPO-OAQYLSRUSA-N	1	0	338.471	3.775	40	5		EHBBRO
CC(C)[C@H]1CCC[C@@H](C)[C@H]1[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005047558	210374397	/nfs/dbraw/zinc/37/43/97/210374397.db2.gz	XLLBYNHHSGPNFO-ZTFGCOKTSA-N	1	0	348.443	3.802	40	5		EHBBRO
CCOc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@@H]23)cc1	ZINC000245231667	564124146	/nfs/dbraw/zinc/12/41/46/564124146.db2.gz	HTVCYFWSVJCEMB-CUWPLCDZSA-N	1	0	332.464	3.651	40	5		EHBBRO
CCOc1cccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)c1	ZINC000008325222	564164360	/nfs/dbraw/zinc/16/43/60/564164360.db2.gz	DJZGLOXPJHFORX-UHFFFAOYSA-N	1	0	349.818	3.849	40	5		EHBBRO
CC[N+]1(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCCC1	ZINC000036631462	213105652	/nfs/dbraw/zinc/10/56/52/213105652.db2.gz	RYUGUUHNQIBXKO-HXUWFJFHSA-N	1	0	326.460	3.724	40	5		EHBBRO
Cc1cc(Cl)ccc1OC[C@@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000041690105	564023844	/nfs/dbraw/zinc/02/38/44/564023844.db2.gz	AHQHFXWEECKFDT-SFHVURJKSA-N	1	0	334.867	3.665	40	5		EHBBRO
C[C@H]1CCCC(C)(C)[C@H]1[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710515	564082872	/nfs/dbraw/zinc/08/28/72/564082872.db2.gz	RYDSYTGGQKSXPJ-BBRMVZONSA-N	1	0	334.416	3.556	40	5		EHBBRO
COc1cc2cc[n+]3c4ccc([N+](=O)[O-])cc4ccc3c2cc1OC	ZINC000001578649	563393575	/nfs/dbraw/zinc/39/35/75/563393575.db2.gz	LDWBGDZUZCKKGH-UHFFFAOYSA-N	1	0	335.339	3.657	40	5		EHBBRO
Nc1nc(-c2cccc([N+](=O)[O-])c2)cc2c3ccccc3oc(=[NH2+])c12	ZINC000408718552	563614896	/nfs/dbraw/zinc/61/48/96/563614896.db2.gz	XRXKJJFLVIQPNM-UHFFFAOYSA-N	1	0	332.319	3.618	40	5		EHBBRO
Cc1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cccc1[N+](=O)[O-]	ZINC000000514896	525654551	/nfs/dbraw/zinc/65/45/51/525654551.db2.gz	WUSKIUNEWVTEEO-UHFFFAOYSA-N	1	0	339.395	3.751	40	5		EHBBRO
C[NH+](C)[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005395445	564003447	/nfs/dbraw/zinc/00/34/47/564003447.db2.gz	GEEBCUORPIVGFD-IDCNUPLLSA-N	1	0	346.427	3.651	40	5		EHBBRO
CC[NH+](CC)CCCCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000001662621	563400251	/nfs/dbraw/zinc/40/02/51/563400251.db2.gz	PJUXMVFHSKYMKS-UHFFFAOYSA-N	1	0	327.406	3.717	40	5		EHBBRO
CC[NH+](CC)CCNc1ccc(C)c2oc3ccc(O)cc3c(=O)c12	ZINC000005460315	563533130	/nfs/dbraw/zinc/53/31/30/563533130.db2.gz	INFOLWSYXJHCTA-UHFFFAOYSA-N	1	0	340.423	3.714	40	5		EHBBRO
CCC[NH+](CCC)CCOc1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000004455901	563722893	/nfs/dbraw/zinc/72/28/93/563722893.db2.gz	KVUOHDZNBURTEQ-UHFFFAOYSA-N	1	0	335.448	3.696	40	5		EHBBRO
CC(C)[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710528	209784451	/nfs/dbraw/zinc/78/44/51/209784451.db2.gz	XLLBYNHHSGPNFO-JCGIZDLHSA-N	1	0	348.443	3.802	40	5		EHBBRO
CC[N+](CC)(CC)C[C@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000036631439	213105657	/nfs/dbraw/zinc/10/56/57/213105657.db2.gz	YDTFXYYTGMGRJM-FQEVSTJZSA-N	1	0	328.476	3.970	40	5		EHBBRO
C[N+](C)(C)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000072238804	216077809	/nfs/dbraw/zinc/07/78/09/216077809.db2.gz	ODZCMERODDWPFZ-UHFFFAOYSA-N	1	0	337.403	3.654	40	5		EHBBRO
Cc1ccc(OC[C@H](O)C[N+]2(C)CCC(C)CC2)c(C(C)(C)C)c1	ZINC000226071710	242087744	/nfs/dbraw/zinc/08/77/44/242087744.db2.gz	BIULOFRXLOZTTG-ASNBIDDJSA-N	1	0	334.524	3.909	40	5		EHBBRO
CCc1c2cc3c(cc2cc2c4cc5c(cc4cc[n+]21)OCO5)OCO3	ZINC000001583431	563394232	/nfs/dbraw/zinc/39/42/32/563394232.db2.gz	KFODZVMODUCPHD-UHFFFAOYSA-N	1	0	346.362	3.752	40	5		EHBBRO
Cc1cc(C)cc(C[N+](C)(C)CCC(=O)c2ccc3c(c2)OCO3)c1	ZINC000000028265	563964055	/nfs/dbraw/zinc/96/40/55/563964055.db2.gz	WFICGYICMAOHJN-UHFFFAOYSA-N	1	0	340.443	3.882	40	5		EHBBRO
C[C@@H]1CCCC(C)(C)[C@@H]1[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710518	564082869	/nfs/dbraw/zinc/08/28/69/564082869.db2.gz	RYDSYTGGQKSXPJ-CZUORRHYSA-N	1	0	334.416	3.556	40	5		EHBBRO
C[NH+](C)[C@H]1c2cc(Br)ccc2-c2ccc([N+](=O)[O-])cc21	ZINC000004962883	210341430	/nfs/dbraw/zinc/34/14/30/210341430.db2.gz	PVLNOMABDBJNEC-HNNXBMFYSA-N	1	0	333.185	3.989	40	5		EHBBRO
CC1CC[N+](C)(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CC1	ZINC000226072265	535287232	/nfs/dbraw/zinc/28/72/32/535287232.db2.gz	KHSBOKDCGYSKQR-JRSYVHTFSA-N	1	0	340.487	3.970	40	5		EHBBRO
C[N+]1(CCOC(=O)[C@H](c2ccccc2)[C@@H]2C=CCCC2)CCCC1	ZINC000001648473	563399315	/nfs/dbraw/zinc/39/93/15/563399315.db2.gz	ZSVLSIZLYQWEOE-WOJBJXKFSA-N	1	0	328.476	3.910	40	5		EHBBRO
C[C@@H](CC(C(=O)N(C)C)(c1ccccc1)c1ccccc1)[N+](C)(C)C	ZINC000001655419	563399623	/nfs/dbraw/zinc/39/96/23/563399623.db2.gz	USNNFBBCULLYBK-SFHVURJKSA-N	1	0	339.503	3.546	40	5		EHBBRO
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000000514997	564020037	/nfs/dbraw/zinc/02/00/37/564020037.db2.gz	QTSDVBWRRJLZBQ-UHFFFAOYSA-N	1	0	339.395	3.833	40	5		EHBBRO
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CC[N+](C)(C)Cc1ccccc1)C2	ZINC000000206512	209484841	/nfs/dbraw/zinc/48/48/41/209484841.db2.gz	FSTDREHWJDBHBH-NNMXDRDESA-O	1	0	343.535	3.984	40	5		EHBBRO
CC[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCCC1	ZINC000036631461	213105698	/nfs/dbraw/zinc/10/56/98/213105698.db2.gz	RYUGUUHNQIBXKO-FQEVSTJZSA-N	1	0	326.460	3.724	40	5		EHBBRO
CC(=O)O[C@H](CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000004958179	210338805	/nfs/dbraw/zinc/33/88/05/210338805.db2.gz	VGYQAROAOQJFSS-TXPKVOOTSA-N	1	0	346.427	3.711	40	5		EHBBRO
CCOc1ccc(C(=O)OC[C@@H]2CCC[N@+]3(C)CCCC[C@H]23)cc1	ZINC000245231668	564124150	/nfs/dbraw/zinc/12/41/50/564124150.db2.gz	HTVCYFWSVJCEMB-DSKINZAPSA-N	1	0	332.464	3.651	40	5		EHBBRO
CCOc1ccccc1C[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000008325591	564164381	/nfs/dbraw/zinc/16/43/81/564164381.db2.gz	ZEYWNJWRGLHEED-UHFFFAOYSA-N	1	0	349.818	3.849	40	5		EHBBRO
CC[N+](CC)(CC)C[C@@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000036631440	213105666	/nfs/dbraw/zinc/10/56/66/213105666.db2.gz	YDTFXYYTGMGRJM-HXUWFJFHSA-N	1	0	328.476	3.970	40	5		EHBBRO
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1cccc([N+](=O)[O-])c1	ZINC000005996526	564057453	/nfs/dbraw/zinc/05/74/53/564057453.db2.gz	AKHZQRMMLUKCQG-UHFFFAOYSA-N	1	0	339.395	3.833	40	5		EHBBRO
CCCC[NH+](CCCC)C[C@H]1CN=C(c2ccc([N+](=O)[O-])cc2)O1	ZINC000001610463	564081788	/nfs/dbraw/zinc/08/17/88/564081788.db2.gz	YUFPNWJHWCCKIG-QGZVFWFLSA-N	1	0	333.432	3.642	40	5		EHBBRO
C[NH+](C)[C@@H]1c2cc(Br)ccc2-c2ccc([N+](=O)[O-])cc21	ZINC000001697047	564082687	/nfs/dbraw/zinc/08/26/87/564082687.db2.gz	PVLNOMABDBJNEC-OAHLLOKOSA-N	1	0	333.185	3.989	40	5		EHBBRO
CC[NH+](CC)CCCNc1cc(OC)cc2nc3ccccc3nc21	ZINC000004522656	210213353	/nfs/dbraw/zinc/21/33/53/210213353.db2.gz	YNMLWGDHICHMMW-UHFFFAOYSA-N	1	0	338.455	3.935	40	5		EHBBRO
Cc1ccc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc1[N+](=O)[O-]	ZINC000000514897	564020039	/nfs/dbraw/zinc/02/00/39/564020039.db2.gz	TWRLYFKIFJGNAR-UHFFFAOYSA-N	1	0	339.395	3.751	40	5		EHBBRO
C[N+]1(CCOC(=O)[C@@H](c2ccccc2)[C@@H]2C=CCCC2)CCCC1	ZINC000001648472	563399195	/nfs/dbraw/zinc/39/91/95/563399195.db2.gz	ZSVLSIZLYQWEOE-UXHICEINSA-N	1	0	328.476	3.910	40	5		EHBBRO
CCCC[NH+](CCCC)C[C@@H]1CN=C(c2ccc([N+](=O)[O-])cc2)O1	ZINC000005159844	563994710	/nfs/dbraw/zinc/99/47/10/563994710.db2.gz	YUFPNWJHWCCKIG-KRWDZBQOSA-N	1	0	333.432	3.642	40	5		EHBBRO
C[NH+](C)[C@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005395446	564003442	/nfs/dbraw/zinc/00/34/42/564003442.db2.gz	GEEBCUORPIVGFD-MVJTYMMSSA-N	1	0	346.427	3.651	40	5		EHBBRO
CCOc1ccc(C(=O)OC[C@@H]2CCC[N@@+]3(C)CCCC[C@H]23)cc1	ZINC000245231669	564124125	/nfs/dbraw/zinc/12/41/25/564124125.db2.gz	HTVCYFWSVJCEMB-FBBABVLZSA-N	1	0	332.464	3.651	40	5		EHBBRO
COc1ccc2c(c1)c[n+](C)c1c3cc(OC)c(OC)cc3ccc21	ZINC000000006815	563211493	/nfs/dbraw/zinc/21/14/93/563211493.db2.gz	PKIYGFDTMSKDMV-UHFFFAOYSA-N	1	0	334.395	3.997	40	5		EHBBRO
CC[N+](C)(CC)CCCNC(=O)C(c1ccccc1)c1ccccc1	ZINC000001726491	209788695	/nfs/dbraw/zinc/78/86/95/209788695.db2.gz	VEDBFZHQAGOZBZ-UHFFFAOYSA-O	1	0	339.503	3.811	40	5		EHBBRO
Cc1cc(Cl)ccc1OC[C@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000041690102	564023845	/nfs/dbraw/zinc/02/38/45/564023845.db2.gz	AHQHFXWEECKFDT-GOSISDBHSA-N	1	0	334.867	3.665	40	5		EHBBRO
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000010358369	564023999	/nfs/dbraw/zinc/02/39/99/564023999.db2.gz	IMMQVNAVKGBZIC-UHFFFAOYSA-N	1	0	339.395	3.833	40	5		EHBBRO
CC[NH+](CC)Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	ZINC000000568271	257869731	/nfs/dbraw/zinc/86/97/31/257869731.db2.gz	AEMSZMSMJPZLIV-UHFFFAOYSA-N	1	0	341.411	3.997	40	5		EHBBRO
C[NH+](C)[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005395447	564003459	/nfs/dbraw/zinc/00/34/59/564003459.db2.gz	GEEBCUORPIVGFD-AHCXZYCDSA-N	1	0	346.427	3.651	40	5		EHBBRO
CC(=O)O[C@H]1C[N+](C)(C)CCCC1(c1ccccc1)c1ccccc1	ZINC000004692464	210249749	/nfs/dbraw/zinc/24/97/49/210249749.db2.gz	ALHRWGDVCOMFPO-NRFANRHFSA-N	1	0	338.471	3.775	40	5		EHBBRO
Cc1cccc(OC[C@H](O)C[N+]2(Cc3ccccc3)CCCC2)c1	ZINC000226072666	242088237	/nfs/dbraw/zinc/08/82/37/242088237.db2.gz	MIBJABJVEFCNEQ-HXUWFJFHSA-N	1	0	326.460	3.546	40	5		EHBBRO
CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000255188907	534906368	/nfs/dbraw/zinc/90/63/68/534906368.db2.gz	MKXQVIXAZHCMFB-SHTZXODSSA-N	1	0	349.431	3.520	40	5		EHBBRO
Cc1cc(N(CCO)CCO)c2ccc3cc4ccccc4cc3c2[nH+]1	ZINC000001568978	563392819	/nfs/dbraw/zinc/39/28/19/563392819.db2.gz	PQUYPGCEQMFPQC-UHFFFAOYSA-N	1	0	346.430	3.641	40	5		EHBBRO
CC[N+](C)(CC)CCC(C(=O)NC)(c1ccccc1)c1ccccc1	ZINC000001641377	563398546	/nfs/dbraw/zinc/39/85/46/563398546.db2.gz	WBLMNWPAGRUHEU-UHFFFAOYSA-O	1	0	339.503	3.595	40	5		EHBBRO
C[N+]1(CCOC(=O)[C@@H](c2ccccc2)[C@H]2C=CCCC2)CCCC1	ZINC000001648474	563399313	/nfs/dbraw/zinc/39/93/13/563399313.db2.gz	ZSVLSIZLYQWEOE-PMACEKPBSA-N	1	0	328.476	3.910	40	5		EHBBRO
CCOc1ccc(CC[NH2+]C)c2c1ccc1ccc(OC)c(O)c12	ZINC000001597214	563395330	/nfs/dbraw/zinc/39/53/30/563395330.db2.gz	CLNNSIVYDGTWGV-UHFFFAOYSA-N	1	0	325.408	3.868	40	5		EHBBRO
CCOc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000004610456	210232690	/nfs/dbraw/zinc/23/26/90/210232690.db2.gz	HTVCYFWSVJCEMB-ONTUJTEPSA-N	1	0	332.464	3.651	40	5		EHBBRO
COc1ccc(/C=C/C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000004028506	210102813	/nfs/dbraw/zinc/10/28/13/210102813.db2.gz	CLQKCDMPKLFWQF-AFCPUZHRSA-N	1	0	344.475	3.661	40	5		EHBBRO
Cc1cccc(OC[C@@H](O)C[N+]2(Cc3ccccc3)CCCC2)c1	ZINC000226072654	242087195	/nfs/dbraw/zinc/08/71/95/242087195.db2.gz	MIBJABJVEFCNEQ-FQEVSTJZSA-N	1	0	326.460	3.546	40	5		EHBBRO
O=C(OCc1ccccc1C[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000001716167	209785724	/nfs/dbraw/zinc/78/57/24/209785724.db2.gz	BTSBMYMVKXWWOK-UHFFFAOYSA-N	1	0	340.379	3.548	40	5		EHBBRO
O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](Cc2ccccc2)CC1	ZINC000068841971	215339637	/nfs/dbraw/zinc/33/96/37/215339637.db2.gz	MOJOTQVTZDOSNH-UHFFFAOYSA-N	1	0	329.375	3.810	40	5		EHBBRO
CC[NH+](CC)CCNc1ccc(O)c2sc3ccccc3c(=O)c12	ZINC000005390095	563530686	/nfs/dbraw/zinc/53/06/86/563530686.db2.gz	VSUAHAFZOPRJRE-UHFFFAOYSA-N	1	0	342.464	3.874	40	5		EHBBRO