smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(C[NH+]1CCCCCC1)Nc1ccnc2c3ccccc3ccc12	ZINC000040384248	213294166	/nfs/dbraw/zinc/29/41/66/213294166.db2.gz	YDSJKBUYKMLJHS-UHFFFAOYSA-N	1	0	333.435	4.203	40	5		EIBBRO
CC[C@@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccc(C)c(C)c1	ZINC000001726203	201518242	/nfs/dbraw/zinc/51/82/42/201518242.db2.gz	ZHRSBUKHFWYWPO-OXQOHEQNSA-N	1	0	334.524	4.463	40	5		EIBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cccc(Cl)c2Cl)cc1	ZINC000008418001	257863314	/nfs/dbraw/zinc/86/33/14/257863314.db2.gz	MEQSNCKOXJQFQJ-UHFFFAOYSA-N	1	0	340.210	4.103	40	5		EIBBRO
CCOc1ccc2c(ccc(/C=C\c3cccc([N+](=O)[O-])c3)[n+]2C)c1	ZINC000004529303	563757600	/nfs/dbraw/zinc/75/76/00/563757600.db2.gz	WXWWGVDAPPVUCU-CLFYSBASSA-N	1	0	335.383	4.142	40	5		EIBBRO
COc1ccc2c(c1)cc1c3cc(OC)c(OC)cc3cc[n+]1c2C	ZINC000001669233	563401391	/nfs/dbraw/zinc/40/13/91/563401391.db2.gz	KZRHIDUVDRMDNO-UHFFFAOYSA-N	1	0	334.395	4.066	40	5		EIBBRO
C[N@+]12CCCC[C@@H]1[C@H](COc1ccccc1Br)CCC2	ZINC000247661030	563976296	/nfs/dbraw/zinc/97/62/96/563976296.db2.gz	SEPYUZLOJMQPCJ-ZSZQSSIHSA-N	1	0	339.297	4.237	40	5	biogenic,in-vitro	EIBBRO
CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1	ZINC000005230892	564125275	/nfs/dbraw/zinc/12/52/75/564125275.db2.gz	XGTLNLLQOKXQNE-LCODYBDSSA-N	1	0	346.491	4.040	40	5		EIBBRO
CC[C@H](C)[C@H](C(=O)OCCC[N+]1(C)CCCCC1)c1ccccc1	ZINC000001726480	563407632	/nfs/dbraw/zinc/40/76/32/563407632.db2.gz	HCEGVHWGWQUIJQ-ICSRJNTNSA-N	1	0	332.508	4.380	40	5		EIBBRO
CCCCCC[C@@H](C)[N@H+](C)CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005973079	564057390	/nfs/dbraw/zinc/05/73/90/564057390.db2.gz	REOQFGWFTBDTND-OAHLLOKOSA-N	1	0	336.432	4.042	40	5		EIBBRO
O=[N+]([O-])c1cccc(N[NH2+]C=Cc2ccc(Br)s2)c1	ZINC000009972245	564134516	/nfs/dbraw/zinc/13/45/16/564134516.db2.gz	DNXVBTNPKWITRD-VOTSOKGWSA-N	1	0	340.202	4.006	40	5		EIBBRO
C[N+]1(C[C@@H]2CO[C@](c3ccccc3)(C3CCCCC3)O2)CCCCC1	ZINC000003874576	563490226	/nfs/dbraw/zinc/49/02/26/563490226.db2.gz	AXWZZEWIGNYBGA-YADHBBJMSA-N	1	0	344.519	4.466	40	5	in-man	EIBBRO
Cc1cc(C)c(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1C	ZINC000004028602	564004693	/nfs/dbraw/zinc/00/46/93/564004693.db2.gz	HXRDLTAYKDJZSA-RUYIAYPLSA-N	1	0	330.492	4.178	40	5		EIBBRO
CC[NH+](CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12	ZINC000003831012	210078930	/nfs/dbraw/zinc/07/89/30/210078930.db2.gz	FBQPGGIHOFZRGH-UHFFFAOYSA-N	1	0	340.492	4.477	40	5	world	EIBBRO
C[N+]12CCCC[C@@H]1[C@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2	ZINC000000234102	205424274	/nfs/dbraw/zinc/42/42/74/205424274.db2.gz	ZIVXSNSWRIBHKJ-VJOPYQGCSA-N	1	0	342.503	4.203	40	5		EIBBRO
Cc1cc(C)c(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1C	ZINC000006188667	206512558	/nfs/dbraw/zinc/51/25/58/206512558.db2.gz	HXRDLTAYKDJZSA-XAFCGNCNSA-N	1	0	330.492	4.178	40	5		EIBBRO
CC[C@H](C)[C@@H](C(=O)OCC[N+](C)(CC)CC)c1ccc(C)c(C)c1	ZINC000001726204	563407601	/nfs/dbraw/zinc/40/76/01/563407601.db2.gz	ZHRSBUKHFWYWPO-OXJNMPFZSA-N	1	0	334.524	4.463	40	5		EIBBRO
CC[C@@H](C)[C@H](C(=O)OCC[N+](C)(CC)CC)c1ccc(C)c(C)c1	ZINC000001726201	563407699	/nfs/dbraw/zinc/40/76/99/563407699.db2.gz	ZHRSBUKHFWYWPO-UZLBHIALSA-N	1	0	334.524	4.463	40	5		EIBBRO
CC(C)(C)N1C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000005105205	563994321	/nfs/dbraw/zinc/99/43/21/563994321.db2.gz	WEZHBJDGHRBJML-ROUUACIJSA-N	1	0	338.407	4.249	40	5		EIBBRO
COC(=O)c1ccc(C[N+](C)(C)C[C@@H]2[C@H](C)CC(C)=C[C@@H]2C)cc1	ZINC000004981728	564029612	/nfs/dbraw/zinc/02/96/12/564029612.db2.gz	WBDRYJJPLIJBNL-QKLQHJQFSA-N	1	0	330.492	4.288	40	5		EIBBRO
CC[C@H](COC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCCCC1	ZINC000001710529	564082877	/nfs/dbraw/zinc/08/28/77/564082877.db2.gz	LTXZXLGWNMJNAS-QGZVFWFLSA-N	1	0	348.443	4.090	40	5		EIBBRO
CCc1ccc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000008337982	564164519	/nfs/dbraw/zinc/16/45/19/564164519.db2.gz	YSNHEBAAAAJFMK-UHFFFAOYSA-N	1	0	333.819	4.012	40	5		EIBBRO
C[N@+]12CCCC[C@H]1[C@H](COc1ccccc1Br)CCC2	ZINC000247661029	563976293	/nfs/dbraw/zinc/97/62/93/563976293.db2.gz	SEPYUZLOJMQPCJ-URLQWDBASA-N	1	0	339.297	4.237	40	5	biogenic,in-vitro	EIBBRO
CC(C)Oc1ccc(C(=O)OC[C@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000000485740	563997492	/nfs/dbraw/zinc/99/74/92/563997492.db2.gz	XGTLNLLQOKXQNE-CJHNXZANSA-N	1	0	346.491	4.040	40	5		EIBBRO
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000041690040	213463139	/nfs/dbraw/zinc/46/31/39/213463139.db2.gz	KWSQSVIKAJJHLO-PSWRPDDJSA-N	1	0	348.551	4.101	40	5		EIBBRO
CC[N+](C)(CC)CC(C)(C)COC(=O)c1cc2cc(C)ccc2o1	ZINC000003068213	205641071	/nfs/dbraw/zinc/64/10/71/205641071.db2.gz	GUCBYMIBERSPLC-UHFFFAOYSA-N	1	0	332.464	4.411	40	5		EIBBRO
CCOc1ccc(C(=O)OCC[C@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000000517297	563997495	/nfs/dbraw/zinc/99/74/95/563997495.db2.gz	JKGLLRLAYPIYPO-IKQMYLSPSA-N	1	0	346.491	4.041	40	5		EIBBRO
COc1cc2[nH+]ccc(Nc3ccc([N+](=O)[O-])cc3C)c2cc1OC	ZINC000065005293	564099533	/nfs/dbraw/zinc/09/95/33/564099533.db2.gz	RUEXINHGCJJKMG-UHFFFAOYSA-N	1	0	339.351	4.212	40	5		EIBBRO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000252505324	564107901	/nfs/dbraw/zinc/10/79/01/564107901.db2.gz	KWSQSVIKAJJHLO-NMIHRBCNSA-N	1	0	348.551	4.101	40	5		EIBBRO
CC[C@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@@H]([NH+]2CCCCC2)[C@@H]1C	ZINC000055178341	564134323	/nfs/dbraw/zinc/13/43/23/564134323.db2.gz	UKBFXKYZXNIXTF-ZRGWGRIASA-N	1	0	330.428	4.440	40	5		EIBBRO
CCCCCCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004404222	210187687	/nfs/dbraw/zinc/18/76/87/210187687.db2.gz	PUPYQYKLGJPBOW-IBGZPJMESA-N	1	0	334.460	4.311	40	5		EIBBRO
COC(=O)c1ccc(C[N+](C)(C)C[C@H]2[C@H](C)C=C(C)C[C@@H]2C)cc1	ZINC000004981732	210347753	/nfs/dbraw/zinc/34/77/53/210347753.db2.gz	WBDRYJJPLIJBNL-UWVAXJGDSA-N	1	0	330.492	4.288	40	5		EIBBRO
COC(=O)c1ccc(C[N+](C)(C)C[C@H]2[C@H](C)C=C(C)C[C@H]2C)cc1	ZINC000004981730	210347457	/nfs/dbraw/zinc/34/74/57/210347457.db2.gz	WBDRYJJPLIJBNL-HLIPFELVSA-N	1	0	330.492	4.288	40	5		EIBBRO
CC(=O)c1cc(Cl)ccc1OCC[N+](C)(C)Cc1ccccc1	ZINC000000332344	563996864	/nfs/dbraw/zinc/99/68/64/563996864.db2.gz	MIUYUIZEPYYAJZ-UHFFFAOYSA-N	1	0	332.851	4.198	40	5		EIBBRO
Cc1ccc(OC[C@@H](O)C[N+]2(C)CCCCCC2)c(C(C)(C)C)c1	ZINC000226071795	242087138	/nfs/dbraw/zinc/08/71/38/242087138.db2.gz	JXOPVKQOMCRNCW-SFHVURJKSA-N	1	0	334.524	4.053	40	5		EIBBRO
C[N+](C)(C)CCCN1c2ccccc2[S@@](=O)c2ccc(Cl)cc21	ZINC000004824588	563512366	/nfs/dbraw/zinc/51/23/66/563512366.db2.gz	NTLUSIBKSWJYOE-QHCPKHFHSA-N	1	0	349.907	4.055	40	5		EIBBRO
C[N+]12CCCC[C@H]1[C@H](COc1ccccc1Br)CCC2	ZINC000005575627	563540781	/nfs/dbraw/zinc/54/07/81/563540781.db2.gz	SEPYUZLOJMQPCJ-QAQDEBIESA-N	1	0	339.297	4.237	40	5	biogenic,in-vitro	EIBBRO
CC[C@H](C)[C@H](C(=O)OCC[N+](C)(CC)CC)c1ccc(C)c(C)c1	ZINC000001726202	209787118	/nfs/dbraw/zinc/78/71/18/209787118.db2.gz	ZHRSBUKHFWYWPO-JXFKEZNVSA-N	1	0	334.524	4.463	40	5		EIBBRO
CCCCCCC(C)(C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710558	564082870	/nfs/dbraw/zinc/08/28/70/564082870.db2.gz	FODSYNIGUBMRTD-UHFFFAOYSA-N	1	0	336.432	4.090	40	5		EIBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccc(Cl)cc2Cl)cc1	ZINC000008418991	564165188	/nfs/dbraw/zinc/16/51/88/564165188.db2.gz	IBJGSFUHPSFWBM-UHFFFAOYSA-N	1	0	340.210	4.103	40	5		EIBBRO
CC[C@H]1C=C(c2ccc([N+](=O)[O-])cc2)O[C@H]([NH+]2CCCCC2)[C@@H]1C	ZINC000055178338	214283984	/nfs/dbraw/zinc/28/39/84/214283984.db2.gz	UKBFXKYZXNIXTF-VCBZYWHSSA-N	1	0	330.428	4.440	40	5		EIBBRO
Cc1cc(OC[C@@H](O)C[N+](C)(C)Cc2ccccc2)ccc1C(C)C	ZINC000041690018	213462344	/nfs/dbraw/zinc/46/23/44/213462344.db2.gz	SYKJXCIJIPOKCE-FQEVSTJZSA-N	1	0	342.503	4.135	40	5		EIBBRO
CCCCCC[C@H](C)[N@H+](C)CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710521	209785405	/nfs/dbraw/zinc/78/54/05/209785405.db2.gz	REOQFGWFTBDTND-HNNXBMFYSA-N	1	0	336.432	4.042	40	5		EIBBRO
CC[C@@H](COC(=O)c1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCCCC1	ZINC000006411970	210631354	/nfs/dbraw/zinc/63/13/54/210631354.db2.gz	LTXZXLGWNMJNAS-KRWDZBQOSA-N	1	0	348.443	4.090	40	5		EIBBRO
CCCC[NH+](CCCC)CCCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006635432	563575547	/nfs/dbraw/zinc/57/55/47/563575547.db2.gz	JQSZZMVAGZNIJY-UHFFFAOYSA-N	1	0	336.432	4.044	40	5	in-vitro	EIBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2c(Cl)cccc2Cl)cc1	ZINC000008417997	564165213	/nfs/dbraw/zinc/16/52/13/564165213.db2.gz	HTIPFNMIXRLHPA-UHFFFAOYSA-N	1	0	340.210	4.103	40	5		EIBBRO
C[NH+](C)C[C@@H](O)c1ccc2cc(Br)c3ccccc3c2c1	ZINC000006437160	563568080	/nfs/dbraw/zinc/56/80/80/563568080.db2.gz	BFEIFQPDMDCIMF-GOSISDBHSA-N	1	0	344.252	4.351	40	5		EIBBRO
CCCCC[C@@H](C)[NH2+]C(C)(C)COC(=O)c1cccc([N+](=O)[O-])c1	ZINC000002048009	564093074	/nfs/dbraw/zinc/09/30/74/564093074.db2.gz	VMWNXXADTRFVNE-CQSZACIVSA-N	1	0	336.432	4.089	40	5		EIBBRO
C[N+]12CCCC[C@@H]1[C@@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2	ZINC000012891164	563676456	/nfs/dbraw/zinc/67/64/56/563676456.db2.gz	ZIVXSNSWRIBHKJ-ZCQKWSGTSA-N	1	0	342.503	4.203	40	5		EIBBRO
C[N@+]12CCCC[C@H]1[C@@H](COc1ccccc1Br)CCC2	ZINC000247661028	563976286	/nfs/dbraw/zinc/97/62/86/563976286.db2.gz	SEPYUZLOJMQPCJ-SIXWZSSISA-N	1	0	339.297	4.237	40	5	biogenic,in-vitro	EIBBRO
CCOc1ccc(C(=O)OCC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000003175997	564004128	/nfs/dbraw/zinc/00/41/28/564004128.db2.gz	JKGLLRLAYPIYPO-UNEGGNDLSA-N	1	0	346.491	4.041	40	5		EIBBRO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000041690034	564023846	/nfs/dbraw/zinc/02/38/46/564023846.db2.gz	KWSQSVIKAJJHLO-ZHHKINOHSA-N	1	0	348.551	4.101	40	5		EIBBRO
Cc1c2[nH]c3ccc(OCC[NH+](C)C)cc3c2c(C)c2cnccc12	ZINC000001578025	564118943	/nfs/dbraw/zinc/11/89/43/564118943.db2.gz	FGFDMBHOYCMKEJ-UHFFFAOYSA-N	1	0	333.435	4.427	40	5		EIBBRO
COC(=O)c1ccc(C[N+](C)(C)C[C@H]2[C@@H](C)C=C(C)C[C@@H]2C)cc1	ZINC000004981729	210348401	/nfs/dbraw/zinc/34/84/01/210348401.db2.gz	WBDRYJJPLIJBNL-ZWOKBUDYSA-N	1	0	330.492	4.288	40	5		EIBBRO
CC[N+](C)(CC)CCOC(=O)c1ccccc1Oc1ccc(C)cc1	ZINC000001726488	563407717	/nfs/dbraw/zinc/40/77/17/563407717.db2.gz	ZCUKLSHRCQKAIO-UHFFFAOYSA-N	1	0	342.459	4.431	40	5		EIBBRO
Cc1cc(OC[C@H](O)C[N+](C)(C)Cc2ccccc2)ccc1C(C)C	ZINC000041690015	564023848	/nfs/dbraw/zinc/02/38/48/564023848.db2.gz	SYKJXCIJIPOKCE-HXUWFJFHSA-N	1	0	342.503	4.135	40	5		EIBBRO
CCOc1ccc(C(=O)OCC[C@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1	ZINC000000517298	209643061	/nfs/dbraw/zinc/64/30/61/209643061.db2.gz	JKGLLRLAYPIYPO-QIFHVCNWSA-N	1	0	346.491	4.041	40	5		EIBBRO
Cc1ccc(OC[C@H](O)C[N+]2(C)CCCCCC2)c(C(C)(C)C)c1	ZINC000226071802	242088069	/nfs/dbraw/zinc/08/80/69/242088069.db2.gz	JXOPVKQOMCRNCW-GOSISDBHSA-N	1	0	334.524	4.053	40	5		EIBBRO
C[N@+]12CCCC[C@@H]1[C@@H](COc1ccccc1Br)CCC2	ZINC000247661025	563976283	/nfs/dbraw/zinc/97/62/83/563976283.db2.gz	SEPYUZLOJMQPCJ-IDHHARJASA-N	1	0	339.297	4.237	40	5	biogenic,in-vitro	EIBBRO
CC[N+](C)(C)C[C@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1	ZINC000036631483	213105643	/nfs/dbraw/zinc/10/56/43/213105643.db2.gz	URHWABGLMQYBND-SFHVURJKSA-N	1	0	336.540	4.236	40	5		EIBBRO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000226170010	242090290	/nfs/dbraw/zinc/09/02/90/242090290.db2.gz	KWSQSVIKAJJHLO-ZDFPQIBNSA-N	1	0	348.551	4.101	40	5		EIBBRO
CC[NH+](CC)CCNc1cccc2sc3ccccc3c(=O)c12	ZINC000005010736	210360635	/nfs/dbraw/zinc/36/06/35/210360635.db2.gz	LJDRCIHLYQOFIR-UHFFFAOYSA-N	1	0	326.465	4.168	40	5		EIBBRO
CC[C@@H](C)[C@@H](C(=O)OCCC[N+]1(C)CCCCC1)c1ccccc1	ZINC000001726481	563407629	/nfs/dbraw/zinc/40/76/29/563407629.db2.gz	HCEGVHWGWQUIJQ-UYAOXDASSA-N	1	0	332.508	4.380	40	5		EIBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccc(Cl)c(Cl)c2)cc1	ZINC000008418988	564165203	/nfs/dbraw/zinc/16/52/03/564165203.db2.gz	DVDLCIMBFJPXFO-UHFFFAOYSA-N	1	0	340.210	4.103	40	5		EIBBRO
C[N+]12CCCC[C@H]1[C@H](OC(=O)C1(c3ccccc3)CCCC1)CCC2	ZINC000005027109	210366727	/nfs/dbraw/zinc/36/67/27/210366727.db2.gz	ZIVXSNSWRIBHKJ-RCCQNZRSSA-N	1	0	342.503	4.203	40	5		EIBBRO
C[N+]1(C[C@H]2CO[C@@](c3ccccc3)(C3CCCCC3)O2)CCCCC1	ZINC000000000572	563211405	/nfs/dbraw/zinc/21/14/05/563211405.db2.gz	AXWZZEWIGNYBGA-FCHUYYIVSA-N	1	0	344.519	4.466	40	5	in-man	EIBBRO
CC[N+](C)(CC)CCN[C@H](c1ccccc1)C(Cl)(Cl)Cl	ZINC000005885900	563553306	/nfs/dbraw/zinc/55/33/06/563553306.db2.gz	AHXANNDLCSDYGK-CQSZACIVSA-N	1	0	338.730	4.174	40	5		EIBBRO
COc1ccc2nc3ccc(Cl)cc3c(SCCC[NH3+])c2c1	ZINC000098210304	219087640	/nfs/dbraw/zinc/08/76/40/219087640.db2.gz	XMMAOXMYUGQGJD-UHFFFAOYSA-N	1	0	332.856	4.491	40	5	in-vitro	EIBBRO
CCCOc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000004023042	210100922	/nfs/dbraw/zinc/10/09/22/210100922.db2.gz	WRNCXQUMXVISMV-RUYIAYPLSA-N	1	0	346.491	4.041	40	5		EIBBRO
C[N+]1(C[C@H]2CO[C@](c3ccccc3)(C3CCCCC3)O2)CCCCC1	ZINC000003874577	210081708	/nfs/dbraw/zinc/08/17/08/210081708.db2.gz	AXWZZEWIGNYBGA-VXKWHMMOSA-N	1	0	344.519	4.466	40	5	in-man	EIBBRO
C[N+]1(C[C@H](O)COc2ccc(-c3ccccc3)cc2)CCCCCC1	ZINC000036631465	213105609	/nfs/dbraw/zinc/10/56/09/213105609.db2.gz	ZXMNEKSSHQDLME-NRFANRHFSA-N	1	0	340.487	4.114	40	5		EIBBRO
CC[N+](C)(C)C[C@@H](O)COc1ccc(C(C)(C)CC(C)(C)C)cc1	ZINC000036631484	213105664	/nfs/dbraw/zinc/10/56/64/213105664.db2.gz	URHWABGLMQYBND-GOSISDBHSA-N	1	0	336.540	4.236	40	5		EIBBRO
CC(C)Oc1ccc(C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1	ZINC000004028954	210103082	/nfs/dbraw/zinc/10/30/82/210103082.db2.gz	XGTLNLLQOKXQNE-RUYIAYPLSA-N	1	0	346.491	4.040	40	5		EIBBRO
CC[N+](C)(C)CCOC(=O)N(C1CCCCC1)C1CCCCC1	ZINC000001674999	563402061	/nfs/dbraw/zinc/40/20/61/563402061.db2.gz	IZZKSIIAPYPECL-UHFFFAOYSA-N	1	0	325.517	4.187	40	5		EIBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cccc(Cl)c2)c(Cl)c1	ZINC000016398839	257857778	/nfs/dbraw/zinc/85/77/78/257857778.db2.gz	WUPVBSDCGJEPFM-UHFFFAOYSA-N	1	0	340.210	4.103	40	5		EIBBRO
c1ccc2c(c1)c1nc3ccccc3nc1n2CC[NH+]1CCCCC1	ZINC000000067762	209398221	/nfs/dbraw/zinc/39/82/21/209398221.db2.gz	HFWVWBPZEAYHMA-UHFFFAOYSA-N	1	0	330.435	4.224	40	5		EIBBRO
C[NH+](C)C[C@H](O)c1ccc2cc(Br)c3ccccc3c2c1	ZINC000001592040	563395067	/nfs/dbraw/zinc/39/50/67/563395067.db2.gz	BFEIFQPDMDCIMF-SFHVURJKSA-N	1	0	344.252	4.351	40	5		EIBBRO
CCCCC[C@H](C)[NH2+]C(C)(C)COC(=O)c1cccc([N+](=O)[O-])c1	ZINC000001672768	564082180	/nfs/dbraw/zinc/08/21/80/564082180.db2.gz	VMWNXXADTRFVNE-AWEZNQCLSA-N	1	0	336.432	4.089	40	5		EIBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccccc2Cl)c(Cl)c1	ZINC000016449666	564087018	/nfs/dbraw/zinc/08/70/18/564087018.db2.gz	KAWOAWKLAYHJRA-UHFFFAOYSA-N	1	0	340.210	4.103	40	5		EIBBRO
C[N+](C)(C)Cc1ccccc1C(O)(c1ccccc1)c1ccccc1	ZINC000004974319	210344670	/nfs/dbraw/zinc/34/46/70/210344670.db2.gz	MHMYMRDLNKRNQN-UHFFFAOYSA-N	1	0	332.467	4.177	40	5		EIBBRO
CC[N+](C)(CC)c1cccc(OC(=O)Nc2ccc(OC)cc2)c1	ZINC000001718635	563406901	/nfs/dbraw/zinc/40/69/01/563406901.db2.gz	FEQYHVAHSASDAR-UHFFFAOYSA-O	1	0	329.420	4.283	40	5		EIBBRO
CC[C@@H](C)[C@H](C(=O)OCCC[N+]1(C)CCCCC1)c1ccccc1	ZINC000001726479	563407624	/nfs/dbraw/zinc/40/76/24/563407624.db2.gz	HCEGVHWGWQUIJQ-QUCCMNQESA-N	1	0	332.508	4.380	40	5		EIBBRO
CC[C@H](C)[C@@H](C(=O)OCCC[N+]1(C)CCCCC1)c1ccccc1	ZINC000001726482	563407655	/nfs/dbraw/zinc/40/76/55/563407655.db2.gz	HCEGVHWGWQUIJQ-AZUAARDMSA-N	1	0	332.508	4.380	40	5		EIBBRO
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000041690037	564061656	/nfs/dbraw/zinc/06/16/56/564061656.db2.gz	KWSQSVIKAJJHLO-BDKRGJGYSA-N	1	0	348.551	4.101	40	5		EIBBRO
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000041690043	564061660	/nfs/dbraw/zinc/06/16/60/564061660.db2.gz	KWSQSVIKAJJHLO-WSWWRLHASA-N	1	0	348.551	4.101	40	5		EIBBRO
C[N+](C)(C)CCCOC1=Nc2ccccc2O/C1=C/c1ccccc1	ZINC000001849746	563414159	/nfs/dbraw/zinc/41/41/59/563414159.db2.gz	MHUOZJMODBEIMS-CAPFRKAQSA-N	1	0	337.443	4.263	40	5		EIBBRO
C[NH+](C)CCCSc1c2ccccc2nc2cccc([N+](=O)[O-])c21	ZINC000005549521	210486154	/nfs/dbraw/zinc/48/61/54/210486154.db2.gz	DDLHGBGXYVQLER-UHFFFAOYSA-N	1	0	341.436	4.340	40	5		EIBBRO
CCCCC(CCCC)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005047590	210374620	/nfs/dbraw/zinc/37/46/20/210374620.db2.gz	BRZCTMFRBBQFDB-UHFFFAOYSA-N	1	0	336.432	4.090	40	5		EIBBRO
CC[N+](C)(CC)CCN[C@@H](c1ccccc1)C(Cl)(Cl)Cl	ZINC000004877516	210309717	/nfs/dbraw/zinc/30/97/17/210309717.db2.gz	AHXANNDLCSDYGK-AWEZNQCLSA-N	1	0	338.730	4.174	40	5		EIBBRO
C[N+]12CCCC[C@@H]1[C@H](COc1ccccc1Br)CCC2	ZINC000005748886	563548789	/nfs/dbraw/zinc/54/87/89/563548789.db2.gz	SEPYUZLOJMQPCJ-FSGMKPHLSA-N	1	0	339.297	4.237	40	5	biogenic,in-vitro	EIBBRO
C[N+](C)(C)CCCOC1=Nc2ccccc2O/C1=C\c1ccccc1	ZINC000016245289	563806742	/nfs/dbraw/zinc/80/67/42/563806742.db2.gz	MHUOZJMODBEIMS-SILNSSARSA-N	1	0	337.443	4.263	40	5		EIBBRO
CCCCCCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004404223	210188021	/nfs/dbraw/zinc/18/80/21/210188021.db2.gz	PUPYQYKLGJPBOW-LJQANCHMSA-N	1	0	334.460	4.311	40	5		EIBBRO
OC[C@@H]1CCC[N+]2(Cc3ccc(Cl)c(Cl)c3)CCCC[C@H]12	ZINC000004083964	210115920	/nfs/dbraw/zinc/11/59/20/210115920.db2.gz	HHQCFQRIFDLCHB-ZUIVQFGISA-N	1	0	329.291	4.265	40	5		EIBBRO
C[N+]1(C[C@@H](O)COc2ccc(-c3ccccc3)cc2)CCCCCC1	ZINC000036631466	213105695	/nfs/dbraw/zinc/10/56/95/213105695.db2.gz	ZXMNEKSSHQDLME-OAQYLSRUSA-N	1	0	340.487	4.114	40	5		EIBBRO
COc1ccc2c(c1)c1c(c(C)c3ccncc3c1C)n2CCC[NH3+]	ZINC000001720645	563406939	/nfs/dbraw/zinc/40/69/39/563406939.db2.gz	FFGIBLYMAQEJFJ-UHFFFAOYSA-N	1	0	333.435	4.317	40	5	in-vitro	EIBBRO
C[N+](C)(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1	ZINC000027987055	564073035	/nfs/dbraw/zinc/07/30/35/564073035.db2.gz	ZMYYVGBPSVVFQS-UHFFFAOYSA-N	1	0	326.851	4.399	40	5		EIBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccc(Cl)cc2)c(Cl)c1	ZINC000016401584	564084762	/nfs/dbraw/zinc/08/47/62/564084762.db2.gz	QFUFYHUTXFWGAB-UHFFFAOYSA-N	1	0	340.210	4.103	40	5		EIBBRO
C[N+]1(C[C@@H]2CO[C@@](c3ccccc3)(C3CCCCC3)O2)CCCCC1	ZINC000003874575	210081727	/nfs/dbraw/zinc/08/17/27/210081727.db2.gz	AXWZZEWIGNYBGA-FGZHOGPDSA-N	1	0	344.519	4.466	40	5	in-man	EIBBRO
C[N+](C)(C)CCCN1c2ccccc2[S@](=O)c2ccc(Cl)cc21	ZINC000005930234	563554715	/nfs/dbraw/zinc/55/47/15/563554715.db2.gz	NTLUSIBKSWJYOE-HSZRJFAPSA-N	1	0	349.907	4.055	40	5		EIBBRO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N+](C)(C)Cc1ccccc1	ZINC000252505323	564107904	/nfs/dbraw/zinc/10/79/04/564107904.db2.gz	KWSQSVIKAJJHLO-FVTFTPSCSA-N	1	0	348.551	4.101	40	5		EIBBRO