smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1nnc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001022063744	884012488	/nfs/dbraw/zinc/01/24/88/884012488.db2.gz	KVAPYKFFAVVCJM-BZNPZCIMSA-N	1	2	295.303	-1.388	20	5		CABDLO
NC(=O)CN1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1	ZINC001324299449	884661312	/nfs/dbraw/zinc/66/13/12/884661312.db2.gz	TVBZUOGEAGGKSR-UHFFFAOYSA-N	1	2	282.304	-1.106	20	5		CABDLO
NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])cn1	ZINC001329138290	885068881	/nfs/dbraw/zinc/06/88/81/885068881.db2.gz	VVPYNNLDTLYSDJ-BDAKNGLRSA-N	1	2	269.261	-1.288	20	5		CABDLO
NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])cn1	ZINC001329138290	885068888	/nfs/dbraw/zinc/06/88/88/885068888.db2.gz	VVPYNNLDTLYSDJ-BDAKNGLRSA-N	1	2	269.261	-1.288	20	5		CABDLO
NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCn1ccc([N+](=O)[O-])n1	ZINC001331498678	885282336	/nfs/dbraw/zinc/28/23/36/885282336.db2.gz	NMIQCKZDDYEIRB-SFYZADRCSA-N	1	2	269.261	-1.288	20	5		CABDLO
NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCn1ccc([N+](=O)[O-])n1	ZINC001331498678	885282349	/nfs/dbraw/zinc/28/23/49/885282349.db2.gz	NMIQCKZDDYEIRB-SFYZADRCSA-N	1	2	269.261	-1.288	20	5		CABDLO
Cn1nnnc1C[NH2+]C/C=C\CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001497585112	893622664	/nfs/dbraw/zinc/62/26/64/893622664.db2.gz	SSKCSRGLEYIWGY-BNEREYBLSA-N	1	2	295.303	-1.363	20	5		CABDLO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCOC[C@H]2CO)c1	ZINC000595715030	373117366	/nfs/dbraw/zinc/11/73/66/373117366.db2.gz	BMFDFJFSYURFNO-GHMZBOCLSA-N	1	2	286.288	-1.155	20	5		CABDLO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCOC[C@H]2CO)c1	ZINC000595715030	373117374	/nfs/dbraw/zinc/11/73/74/373117374.db2.gz	BMFDFJFSYURFNO-GHMZBOCLSA-N	1	2	286.288	-1.155	20	5		CABDLO
NC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000363822370	252181966	/nfs/dbraw/zinc/18/19/66/252181966.db2.gz	RBGZUBZCMLZYMR-RKDXNWHRSA-N	1	2	270.289	-1.329	20	5		CABDLO
NC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000363822370	252181969	/nfs/dbraw/zinc/18/19/69/252181969.db2.gz	RBGZUBZCMLZYMR-RKDXNWHRSA-N	1	2	270.289	-1.329	20	5		CABDLO
CNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000368831289	252188779	/nfs/dbraw/zinc/18/87/79/252188779.db2.gz	VWXKGYGBGUMCGV-NXEZZACHSA-N	1	2	284.316	-1.068	20	5		CABDLO
CNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000368831289	252188783	/nfs/dbraw/zinc/18/87/83/252188783.db2.gz	VWXKGYGBGUMCGV-NXEZZACHSA-N	1	2	284.316	-1.068	20	5		CABDLO
C[N@@H+]1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000599161104	409741473	/nfs/dbraw/zinc/74/14/73/409741473.db2.gz	SPIFCELCTIXGFO-ZETCQYMHSA-N	1	2	268.277	-0.869	20	5		CABDLO
C[N@H+]1CCOC[C@@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000599161104	409741479	/nfs/dbraw/zinc/74/14/79/409741479.db2.gz	SPIFCELCTIXGFO-ZETCQYMHSA-N	1	2	268.277	-0.869	20	5		CABDLO
NC(=O)[C@@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1	ZINC000176221546	230191304	/nfs/dbraw/zinc/19/13/04/230191304.db2.gz	QESBXRAJARHCRT-QMMMGPOBSA-N	1	2	269.261	-1.023	20	5		CABDLO
NC(=O)[C@@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1	ZINC000176221546	230191307	/nfs/dbraw/zinc/19/13/07/230191307.db2.gz	QESBXRAJARHCRT-QMMMGPOBSA-N	1	2	269.261	-1.023	20	5		CABDLO
O=C(CO)N1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000152894604	334522373	/nfs/dbraw/zinc/52/23/73/334522373.db2.gz	UGZKOLYIIUZEJS-UHFFFAOYSA-N	1	2	283.288	-1.072	20	5		CABDLO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCC(O)(C[NH2+]CCO)CC1	ZINC001274514988	782148267	/nfs/dbraw/zinc/14/82/67/782148267.db2.gz	AJHOGJZWFILDGI-NXEZZACHSA-N	1	2	287.316	-1.413	20	5		CABDLO
NC(=O)[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000174837071	534462008	/nfs/dbraw/zinc/46/20/08/534462008.db2.gz	LDDBIWBMUNNXHU-SECBINFHSA-N	1	2	269.261	-1.023	20	5		CABDLO
NC(=O)[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000174837071	534462012	/nfs/dbraw/zinc/46/20/12/534462012.db2.gz	LDDBIWBMUNNXHU-SECBINFHSA-N	1	2	269.261	-1.023	20	5		CABDLO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(CCO)CC[NH+]1CCOCC1	ZINC000839715119	582145594	/nfs/dbraw/zinc/14/55/94/582145594.db2.gz	NZUFZYSXYACIFI-GHMZBOCLSA-N	1	2	287.316	-1.195	20	5		CABDLO
O=C(NC[C@H]1C[NH+]2CCN1CC2)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000839710816	582145607	/nfs/dbraw/zinc/14/56/07/582145607.db2.gz	VLXCMQQDLQKQHE-IVZWLZJFSA-N	1	2	254.290	-1.232	20	5		CABDLO
CC[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC	ZINC001266391046	775128403	/nfs/dbraw/zinc/12/84/03/775128403.db2.gz	XBPYEGLXJZBMBV-RKDXNWHRSA-N	1	2	272.305	-1.164	20	5		CABDLO
CC[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC	ZINC001266391046	775128408	/nfs/dbraw/zinc/12/84/08/775128408.db2.gz	XBPYEGLXJZBMBV-RKDXNWHRSA-N	1	2	272.305	-1.164	20	5		CABDLO
Cn1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126931894	775732291	/nfs/dbraw/zinc/73/22/91/775732291.db2.gz	DQDAGOVGECQUKH-RNFRBKRXSA-N	1	2	269.265	-1.919	20	5		CABDLO
Cn1cnnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126932420	775732503	/nfs/dbraw/zinc/73/25/03/775732503.db2.gz	WTSPDNHNPZSFHI-HTQZYQBOSA-N	1	2	268.277	-1.314	20	5		CABDLO
Cn1cc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nn1	ZINC001126936239	775733554	/nfs/dbraw/zinc/73/35/54/775733554.db2.gz	CFNZZLCBNRFDPR-RKDXNWHRSA-N	1	2	268.277	-1.314	20	5		CABDLO
CCCn1nnnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126939210	775738201	/nfs/dbraw/zinc/73/82/01/775738201.db2.gz	RWKPZUNNMBVRHF-RKDXNWHRSA-N	1	2	297.319	-1.046	20	5		CABDLO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cn[nH]n1	ZINC001130742838	776670423	/nfs/dbraw/zinc/67/04/23/776670423.db2.gz	JLZLVJNLEAKPHG-UHFFFAOYSA-N	1	2	294.275	-1.034	20	5		CABDLO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1cnn[nH]1	ZINC001130742838	776670430	/nfs/dbraw/zinc/67/04/30/776670430.db2.gz	JLZLVJNLEAKPHG-UHFFFAOYSA-N	1	2	294.275	-1.034	20	5		CABDLO
CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001294447292	778065527	/nfs/dbraw/zinc/06/55/27/778065527.db2.gz	MCYBXRULPHXQIZ-GMTAPVOTSA-N	1	2	287.316	-1.197	20	5		CABDLO
CC(=O)NCC(=O)N1CCC[N@H+](CC[N+](=O)[O-])CC1	ZINC001119897768	779628075	/nfs/dbraw/zinc/62/80/75/779628075.db2.gz	DUPBCTLHMRPIPM-UHFFFAOYSA-N	1	2	272.305	-1.067	20	5		CABDLO
CC(=O)NCC(=O)N1CCC[N@@H+](CC[N+](=O)[O-])CC1	ZINC001119897768	779628080	/nfs/dbraw/zinc/62/80/80/779628080.db2.gz	DUPBCTLHMRPIPM-UHFFFAOYSA-N	1	2	272.305	-1.067	20	5		CABDLO
Cn1nnc(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001157767752	779914058	/nfs/dbraw/zinc/91/40/58/779914058.db2.gz	SSOKVKODURHUFU-HTQZYQBOSA-N	1	2	283.292	-1.529	20	5		CABDLO
CC[NH+]1CC(OCC(=O)N2CC([N+](=O)[O-])([N+](=O)[O-])C2)C1	ZINC001224796784	780435462	/nfs/dbraw/zinc/43/54/62/780435462.db2.gz	LDRHEFFAYWOPEK-UHFFFAOYSA-N	1	2	288.260	-1.201	20	5		CABDLO
NS(=O)(=O)NC1CC[NH+](CC[N+](=O)[O-])CC1	ZINC001307990647	884126629	/nfs/dbraw/zinc/12/66/29/884126629.db2.gz	JBLFRGYQRZDECQ-UHFFFAOYSA-N	1	2	252.296	-1.479	20	5		CABDLO
CNC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001317448291	884196515	/nfs/dbraw/zinc/19/65/15/884196515.db2.gz	QXOTXEIRNZPFDG-HTQZYQBOSA-N	1	2	258.278	-1.554	20	5		CABDLO
CNC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001317448291	884196529	/nfs/dbraw/zinc/19/65/29/884196529.db2.gz	QXOTXEIRNZPFDG-HTQZYQBOSA-N	1	2	258.278	-1.554	20	5		CABDLO
NC(=O)[C@@H]1C[C@@H](O)C[N@@H+]1CCn1cc([N+](=O)[O-])ccc1=O	ZINC001331262633	885267465	/nfs/dbraw/zinc/26/74/65/885267465.db2.gz	PQQVNVKLIKGTQU-ZJUUUORDSA-N	1	2	296.283	-1.323	20	5		CABDLO
NC(=O)[C@@H]1C[C@@H](O)C[N@H+]1CCn1cc([N+](=O)[O-])ccc1=O	ZINC001331262633	885267485	/nfs/dbraw/zinc/26/74/85/885267485.db2.gz	PQQVNVKLIKGTQU-ZJUUUORDSA-N	1	2	296.283	-1.323	20	5		CABDLO
Cn1nnnc1C[NH2+]C/C=C/CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001497585113	893622630	/nfs/dbraw/zinc/62/26/30/893622630.db2.gz	SSKCSRGLEYIWGY-KHVQUVQLSA-N	1	2	295.303	-1.363	20	5		CABDLO
CN1CC[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000173789331	529772912	/nfs/dbraw/zinc/77/29/12/529772912.db2.gz	UOHURKSPKMHKLL-SNVBAGLBSA-N	1	2	283.288	-1.074	20	5		CABDLO
CN1CC[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000173789331	529772913	/nfs/dbraw/zinc/77/29/13/529772913.db2.gz	UOHURKSPKMHKLL-SNVBAGLBSA-N	1	2	283.288	-1.074	20	5		CABDLO
CN1CC[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000173789316	529773391	/nfs/dbraw/zinc/77/33/91/529773391.db2.gz	UOHURKSPKMHKLL-JTQLQIEISA-N	1	2	283.288	-1.074	20	5		CABDLO
CN1CC[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1=O	ZINC000173789316	529773392	/nfs/dbraw/zinc/77/33/92/529773392.db2.gz	UOHURKSPKMHKLL-JTQLQIEISA-N	1	2	283.288	-1.074	20	5		CABDLO
O=C(NCCC[N@@H+]1CCNC(=O)C1)c1cc([N+](=O)[O-])n[nH]1	ZINC000285800460	372778601	/nfs/dbraw/zinc/77/86/01/372778601.db2.gz	PUGDUXRVFWWRJU-UHFFFAOYSA-N	1	2	296.287	-1.130	20	5		CABDLO
O=C(NCCC[N@H+]1CCNC(=O)C1)c1cc([N+](=O)[O-])n[nH]1	ZINC000285800460	372778614	/nfs/dbraw/zinc/77/86/14/372778614.db2.gz	PUGDUXRVFWWRJU-UHFFFAOYSA-N	1	2	296.287	-1.130	20	5		CABDLO
O=C(NC[C@@H]1C[NH+]2CCN1CC2)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000370824806	409481103	/nfs/dbraw/zinc/48/11/03/409481103.db2.gz	VLXCMQQDLQKQHE-OPRDCNLKSA-N	1	2	254.290	-1.232	20	5		CABDLO
C[N@@H+]1CCOC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000599161103	409739731	/nfs/dbraw/zinc/73/97/31/409739731.db2.gz	SPIFCELCTIXGFO-SSDOTTSWSA-N	1	2	268.277	-0.869	20	5		CABDLO
C[N@H+]1CCOC[C@H]1CNc1ncc([N+](=O)[O-])c(N)n1	ZINC000599161103	409739741	/nfs/dbraw/zinc/73/97/41/409739741.db2.gz	SPIFCELCTIXGFO-SSDOTTSWSA-N	1	2	268.277	-0.869	20	5		CABDLO
O=C(NCCC[N@@H+]1CCNC(=O)C1)c1c[nH]nc1[N+](=O)[O-]	ZINC000548957815	334181354	/nfs/dbraw/zinc/18/13/54/334181354.db2.gz	VCBSFPQAKLSQND-UHFFFAOYSA-N	1	2	296.287	-1.130	20	5		CABDLO
O=C(NCCC[N@H+]1CCNC(=O)C1)c1c[nH]nc1[N+](=O)[O-]	ZINC000548957815	334181355	/nfs/dbraw/zinc/18/13/55/334181355.db2.gz	VCBSFPQAKLSQND-UHFFFAOYSA-N	1	2	296.287	-1.130	20	5		CABDLO
C[C@@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075685492	526207467	/nfs/dbraw/zinc/20/74/67/526207467.db2.gz	DACOGPRJGBHPGT-SCZZXKLOSA-N	1	2	283.288	-1.028	20	5		CABDLO
C[C@@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075685492	526207473	/nfs/dbraw/zinc/20/74/73/526207473.db2.gz	DACOGPRJGBHPGT-SCZZXKLOSA-N	1	2	283.288	-1.028	20	5		CABDLO
NC(=O)C[N@@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1	ZINC000796139665	582166138	/nfs/dbraw/zinc/16/61/38/582166138.db2.gz	VRHSYSONDBYZII-UHFFFAOYSA-N	1	2	296.287	-1.049	20	5		CABDLO
NC(=O)C[N@H+]1CCCN(C(=O)c2cc([N+](=O)[O-])n[nH]2)CC1	ZINC000796139665	582166140	/nfs/dbraw/zinc/16/61/40/582166140.db2.gz	VRHSYSONDBYZII-UHFFFAOYSA-N	1	2	296.287	-1.049	20	5		CABDLO
O=C(N[C@H](CO)C[NH+]1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000820015087	582178736	/nfs/dbraw/zinc/17/87/36/582178736.db2.gz	HSLVUTCYGXZVMV-IVZWLZJFSA-N	1	2	273.289	-1.539	20	5		CABDLO
CNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775359	656068235	/nfs/dbraw/zinc/06/82/35/656068235.db2.gz	SAHWZSCMKAFJJS-DZEUPHNYSA-N	1	2	282.300	-1.556	20	5		CABDLO
CNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775359	656068236	/nfs/dbraw/zinc/06/82/36/656068236.db2.gz	SAHWZSCMKAFJJS-DZEUPHNYSA-N	1	2	282.300	-1.556	20	5		CABDLO
CN(C)S(=O)(=O)N1CC([NH2+]CC[N+](=O)[O-])C1	ZINC000905400821	656191755	/nfs/dbraw/zinc/19/17/55/656191755.db2.gz	WKEPTPMNPDCQEU-UHFFFAOYSA-N	1	2	252.296	-1.657	20	5		CABDLO
NC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001031662018	656382193	/nfs/dbraw/zinc/38/21/93/656382193.db2.gz	QRNQUYQRFYASTI-HTQZYQBOSA-N	1	2	256.262	-1.815	20	5		CABDLO
O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)NC1CC1	ZINC001031662049	656382301	/nfs/dbraw/zinc/38/23/01/656382301.db2.gz	RQRFOIPXRAZWGM-GHMZBOCLSA-N	1	2	296.327	-1.022	20	5		CABDLO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(C2C[NH+](CCO)C2)CC1	ZINC000941407359	656412100	/nfs/dbraw/zinc/41/21/00/656412100.db2.gz	PSPBIVFOCZAVRR-VXGBXAGGSA-N	1	2	298.343	-1.528	20	5		CABDLO
NC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001002790698	656633271	/nfs/dbraw/zinc/63/32/71/656633271.db2.gz	FJTNVGDOAREMKJ-RKDXNWHRSA-N	1	2	270.289	-1.283	20	5		CABDLO
CNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001072725426	782784929	/nfs/dbraw/zinc/78/49/29/782784929.db2.gz	MNVKWPBTVRGGBB-NXEZZACHSA-N	1	2	296.327	-1.068	20	5		CABDLO
CNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001072725426	782784935	/nfs/dbraw/zinc/78/49/35/782784935.db2.gz	MNVKWPBTVRGGBB-NXEZZACHSA-N	1	2	296.327	-1.068	20	5		CABDLO
COCCC[NH+]1CC(O)(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001271282586	775600308	/nfs/dbraw/zinc/60/03/08/775600308.db2.gz	ZZPRRBXJHIGFQH-NXEZZACHSA-N	1	2	287.316	-1.149	20	5		CABDLO
Cn1ncc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])n1	ZINC001126932295	775732076	/nfs/dbraw/zinc/73/20/76/775732076.db2.gz	QUUNHRCMGAKHNH-RKDXNWHRSA-N	1	2	268.277	-1.314	20	5		CABDLO
O=C(NCC[NH2+]Cc1nnnn1C1CC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936418	775733939	/nfs/dbraw/zinc/73/39/39/775733939.db2.gz	GREQFSGIOWKYLY-RKDXNWHRSA-N	1	2	295.303	-1.121	20	5		CABDLO
Cc1nnc(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])[nH]1	ZINC001126936602	775734091	/nfs/dbraw/zinc/73/40/91/775734091.db2.gz	MNYVHHYYNZKBSK-HTQZYQBOSA-N	1	2	268.277	-1.016	20	5		CABDLO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC[NH+](CCOCCO)CC1	ZINC001112835771	776572031	/nfs/dbraw/zinc/57/20/31/776572031.db2.gz	OKRZRTOQDAQOJY-GHMZBOCLSA-N	1	2	287.316	-1.195	20	5		CABDLO
O=C(Cn1cc[nH+]c1)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001292716753	778045704	/nfs/dbraw/zinc/04/57/04/778045704.db2.gz	AQORSLSHBPKFAX-RKDXNWHRSA-N	1	2	281.272	-1.219	20	5		CABDLO
CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001294447293	778065182	/nfs/dbraw/zinc/06/51/82/778065182.db2.gz	MCYBXRULPHXQIZ-HBNTYKKESA-N	1	2	287.316	-1.197	20	5		CABDLO
NC(=O)[C@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001339630632	885774345	/nfs/dbraw/zinc/77/43/45/885774345.db2.gz	AYCDLPXROKKOGS-VHSXEESVSA-N	1	2	299.287	-1.662	20	5		CABDLO
NC(=O)[C@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001339630632	885774358	/nfs/dbraw/zinc/77/43/58/885774358.db2.gz	AYCDLPXROKKOGS-VHSXEESVSA-N	1	2	299.287	-1.662	20	5		CABDLO
Cn1c[nH+]cc1CC(=O)NCCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001522627132	894242861	/nfs/dbraw/zinc/24/28/61/894242861.db2.gz	LYDNHDMSMOEMHJ-NXEZZACHSA-N	1	2	295.299	-1.140	20	5		CABDLO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCOC[C@H]2CO)c1	ZINC000595715031	373116929	/nfs/dbraw/zinc/11/69/29/373116929.db2.gz	BMFDFJFSYURFNO-MNOVXSKESA-N	1	2	286.288	-1.155	20	5		CABDLO
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCOC[C@H]2CO)c1	ZINC000595715031	373116936	/nfs/dbraw/zinc/11/69/36/373116936.db2.gz	BMFDFJFSYURFNO-MNOVXSKESA-N	1	2	286.288	-1.155	20	5		CABDLO
O=C(Cn1cc([N+](=O)[O-])cn1)N1CC[NH+](CCO)CC1	ZINC000035199955	230156805	/nfs/dbraw/zinc/15/68/05/230156805.db2.gz	DJBHEIOCSDHSAB-UHFFFAOYSA-N	1	2	283.288	-1.072	20	5		CABDLO
O=C(CO)N1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1	ZINC000134189442	230178730	/nfs/dbraw/zinc/17/87/30/230178730.db2.gz	NSNDYPMYKSTTEQ-UHFFFAOYSA-N	1	2	283.288	-1.072	20	5		CABDLO
NC(=O)[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000174837060	230189174	/nfs/dbraw/zinc/18/91/74/230189174.db2.gz	LDDBIWBMUNNXHU-VIFPVBQESA-N	1	2	269.261	-1.023	20	5		CABDLO
NC(=O)[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])cn2)CCO1	ZINC000174837060	230189180	/nfs/dbraw/zinc/18/91/80/230189180.db2.gz	LDDBIWBMUNNXHU-VIFPVBQESA-N	1	2	269.261	-1.023	20	5		CABDLO
O=C1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000174655023	230189883	/nfs/dbraw/zinc/18/98/83/230189883.db2.gz	JNAKQIDKIWOAGB-VIFPVBQESA-N	1	2	269.261	-1.416	20	5		CABDLO
O=C1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000174655023	230189886	/nfs/dbraw/zinc/18/98/86/230189886.db2.gz	JNAKQIDKIWOAGB-VIFPVBQESA-N	1	2	269.261	-1.416	20	5		CABDLO
C[C@H]1C(=O)NCC[N@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075685493	526208630	/nfs/dbraw/zinc/20/86/30/526208630.db2.gz	DACOGPRJGBHPGT-WPRPVWTQSA-N	1	2	283.288	-1.028	20	5		CABDLO
C[C@H]1C(=O)NCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075685493	526208639	/nfs/dbraw/zinc/20/86/39/526208639.db2.gz	DACOGPRJGBHPGT-WPRPVWTQSA-N	1	2	283.288	-1.028	20	5		CABDLO
O=C(Cn1ccc([N+](=O)[O-])n1)N1CC[NH+](CCO)CC1	ZINC000048334910	527378740	/nfs/dbraw/zinc/37/87/40/527378740.db2.gz	ABQBHTKFSMUZRA-UHFFFAOYSA-N	1	2	283.288	-1.072	20	5		CABDLO
NC(=O)C[N@@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000363465971	582136501	/nfs/dbraw/zinc/13/65/01/582136501.db2.gz	ZWGQWOPGCOMGRI-UHFFFAOYSA-N	1	2	295.303	-1.036	20	5		CABDLO
NC(=O)C[N@H+]1CCCN(c2ncc([N+](=O)[O-])c(N)n2)CC1	ZINC000363465971	582136502	/nfs/dbraw/zinc/13/65/02/582136502.db2.gz	ZWGQWOPGCOMGRI-UHFFFAOYSA-N	1	2	295.303	-1.036	20	5		CABDLO
C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000840342313	582175116	/nfs/dbraw/zinc/17/51/16/582175116.db2.gz	XVEZXOUYSBRQJE-NXEZZACHSA-N	1	2	284.316	-1.068	20	5		CABDLO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC([N@@H+]2CC[C@@H](O)C2)C1	ZINC000844002309	582215398	/nfs/dbraw/zinc/21/53/98/582215398.db2.gz	UUBJIYSFUBEWFK-OPRDCNLKSA-N	1	2	255.274	-1.071	20	5		CABDLO
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CC([N@H+]2CC[C@@H](O)C2)C1	ZINC000844002309	582215399	/nfs/dbraw/zinc/21/53/99/582215399.db2.gz	UUBJIYSFUBEWFK-OPRDCNLKSA-N	1	2	255.274	-1.071	20	5		CABDLO
CC[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC000844142473	582216272	/nfs/dbraw/zinc/21/62/72/582216272.db2.gz	CYZGPPLCDFKSHK-NXEZZACHSA-N	1	2	284.316	-1.068	20	5		CABDLO
O=C(Cc1c[nH+]c[nH]1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991290732	656230116	/nfs/dbraw/zinc/23/01/16/656230116.db2.gz	NYFROQRHKPEDAE-NXEZZACHSA-N	1	2	293.283	-1.056	20	5		CABDLO
O=C(C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1)N1CCC1	ZINC001031661735	656381526	/nfs/dbraw/zinc/38/15/26/656381526.db2.gz	GFAMUPNHGVLAIP-GHMZBOCLSA-N	1	2	296.327	-1.068	20	5		CABDLO
CN(C)C(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001031662264	656382391	/nfs/dbraw/zinc/38/23/91/656382391.db2.gz	ZOOAJYWYYHWFSY-NXEZZACHSA-N	1	2	284.316	-1.212	20	5		CABDLO
CNC(=O)C[NH+]1CC(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001031661598	656382515	/nfs/dbraw/zinc/38/25/15/656382515.db2.gz	DKRRAFFUJSLHFT-RKDXNWHRSA-N	1	2	270.289	-1.554	20	5		CABDLO
NC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001000674413	656612626	/nfs/dbraw/zinc/61/26/26/656612626.db2.gz	OGHSYLIAQPYNDX-NXEZZACHSA-N	1	2	282.300	-1.115	20	5		CABDLO
NC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001000674413	656612631	/nfs/dbraw/zinc/61/26/31/656612631.db2.gz	OGHSYLIAQPYNDX-NXEZZACHSA-N	1	2	282.300	-1.115	20	5		CABDLO
CN(CC[NH2+]Cc1nnnn1C)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001266696903	775163612	/nfs/dbraw/zinc/16/36/12/775163612.db2.gz	WCPOWZRGJWMXFA-HTQZYQBOSA-N	1	2	283.292	-1.577	20	5		CABDLO
CN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001266696462	775163898	/nfs/dbraw/zinc/16/38/98/775163898.db2.gz	JHQBFJADYKLISS-HTQZYQBOSA-N	1	2	298.303	-1.678	20	5		CABDLO
Cn1nnnc1C[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001269411660	775506992	/nfs/dbraw/zinc/50/69/92/775506992.db2.gz	PBMVZSIZMXFDFB-HTQZYQBOSA-N	1	2	295.303	-1.386	20	5		CABDLO
CN(C(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C1C[NH+](CCOCCO)C1	ZINC001269787094	775518117	/nfs/dbraw/zinc/51/81/17/775518117.db2.gz	GBOSJXVOKHCKIQ-GHMZBOCLSA-N	1	2	287.316	-1.197	20	5		CABDLO
Cn1[nH]c(C[NH2+]CCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1=O	ZINC001126932084	775732407	/nfs/dbraw/zinc/73/24/07/775732407.db2.gz	HPEHJXDIPNNXQR-RNFRBKRXSA-N	1	2	284.276	-2.021	20	5		CABDLO
Cn1ncnc1C[NH2+]CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936284	775733488	/nfs/dbraw/zinc/73/34/88/775733488.db2.gz	FAIYRMURSDOZIR-HTQZYQBOSA-N	1	2	268.277	-1.314	20	5		CABDLO
O=C(NCC1(O)C[NH+](CCCO)C1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001278864465	780613884	/nfs/dbraw/zinc/61/38/84/780613884.db2.gz	UZKLYEJTDBSZJQ-RKDXNWHRSA-N	1	2	273.289	-1.803	20	5		CABDLO
Cn1cnc([N+](=O)[O-])c1C[N@H+](C)CCCNC(=O)C(N)=O	ZINC001265914680	780765231	/nfs/dbraw/zinc/76/52/31/780765231.db2.gz	JXSHLYCVBQCJJI-UHFFFAOYSA-N	1	2	298.303	-1.248	20	5		CABDLO
Cn1cnc([N+](=O)[O-])c1C[N@@H+](C)CCCNC(=O)C(N)=O	ZINC001265914680	780765236	/nfs/dbraw/zinc/76/52/36/780765236.db2.gz	JXSHLYCVBQCJJI-UHFFFAOYSA-N	1	2	298.303	-1.248	20	5		CABDLO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1nnc[nH]1	ZINC001135520452	781371991	/nfs/dbraw/zinc/37/19/91/781371991.db2.gz	JWBLZKXQJBDTCZ-UHFFFAOYSA-N	1	2	294.275	-1.034	20	5		CABDLO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1ncn[nH]1	ZINC001135520452	781372000	/nfs/dbraw/zinc/37/20/00/781372000.db2.gz	JWBLZKXQJBDTCZ-UHFFFAOYSA-N	1	2	294.275	-1.034	20	5		CABDLO
Cn1cnc([N+](=O)[O-])c1C[NH2+]CCNC(=O)c1nc[nH]n1	ZINC001135520452	781372008	/nfs/dbraw/zinc/37/20/08/781372008.db2.gz	JWBLZKXQJBDTCZ-UHFFFAOYSA-N	1	2	294.275	-1.034	20	5		CABDLO
NC(=O)C1([NH2+]CC[N+](=O)[O-])CCS(=O)(=O)CC1	ZINC001175552605	781592085	/nfs/dbraw/zinc/59/20/85/781592085.db2.gz	XLQRLXMGJBEUPT-UHFFFAOYSA-N	1	2	265.291	-1.715	20	5		CABDLO
C[NH+]1CCN(C(=O)CNC(=O)c2n[nH]cc2[N+](=O)[O-])CC1	ZINC001181497056	781694729	/nfs/dbraw/zinc/69/47/29/781694729.db2.gz	NMZDLTCFLTUUAS-UHFFFAOYSA-N	1	2	296.287	-1.178	20	5		CABDLO
NC(=O)[C@@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001339630633	885772664	/nfs/dbraw/zinc/77/26/64/885772664.db2.gz	AYCDLPXROKKOGS-ZJUUUORDSA-N	1	2	299.287	-1.662	20	5		CABDLO
NC(=O)[C@@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001339630633	885772671	/nfs/dbraw/zinc/77/26/71/885772671.db2.gz	AYCDLPXROKKOGS-ZJUUUORDSA-N	1	2	299.287	-1.662	20	5		CABDLO
NC(=O)[C@@H]1C[N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001339630631	885773280	/nfs/dbraw/zinc/77/32/80/885773280.db2.gz	AYCDLPXROKKOGS-UWVGGRQHSA-N	1	2	299.287	-1.662	20	5		CABDLO
NC(=O)[C@@H]1C[N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001339630631	885773294	/nfs/dbraw/zinc/77/32/94/885773294.db2.gz	AYCDLPXROKKOGS-UWVGGRQHSA-N	1	2	299.287	-1.662	20	5		CABDLO
NC(=O)[C@H]1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001339630630	885774557	/nfs/dbraw/zinc/77/45/57/885774557.db2.gz	AYCDLPXROKKOGS-NXEZZACHSA-N	1	2	299.287	-1.662	20	5		CABDLO
NC(=O)[C@H]1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCO1	ZINC001339630630	885774567	/nfs/dbraw/zinc/77/45/67/885774567.db2.gz	AYCDLPXROKKOGS-NXEZZACHSA-N	1	2	299.287	-1.662	20	5		CABDLO
NC(=O)CN1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1	ZINC001340946241	885820351	/nfs/dbraw/zinc/82/03/51/885820351.db2.gz	RVOSJOBIGBDUDA-UHFFFAOYSA-N	1	2	282.304	-1.106	20	5		CABDLO
CNS(=O)(=O)NC1CC[NH+](CC[N+](=O)[O-])CC1	ZINC001460057781	892139359	/nfs/dbraw/zinc/13/93/59/892139359.db2.gz	ZHYUPYGLZVZYAV-UHFFFAOYSA-N	1	2	266.323	-1.219	20	5		CABDLO
C[N@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC1CC1	ZINC001480863294	892553442	/nfs/dbraw/zinc/55/34/42/892553442.db2.gz	UCJBPMSWFGKXDM-NXEZZACHSA-N	1	2	284.316	-1.022	20	5		CABDLO
C[N@@H+](CCNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])CC(=O)NC1CC1	ZINC001480863294	892553446	/nfs/dbraw/zinc/55/34/46/892553446.db2.gz	UCJBPMSWFGKXDM-NXEZZACHSA-N	1	2	284.316	-1.022	20	5		CABDLO
O=C1C[N@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000174655001	230188563	/nfs/dbraw/zinc/18/85/63/230188563.db2.gz	JNAKQIDKIWOAGB-SECBINFHSA-N	1	2	269.261	-1.416	20	5		CABDLO
O=C1C[N@@H+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CCN1	ZINC000174655001	230188567	/nfs/dbraw/zinc/18/85/67/230188567.db2.gz	JNAKQIDKIWOAGB-SECBINFHSA-N	1	2	269.261	-1.416	20	5		CABDLO
CN(CC[NH+]1CCOCC1)C(=O)Cn1cnc([N+](=O)[O-])n1	ZINC000339732586	372915074	/nfs/dbraw/zinc/91/50/74/372915074.db2.gz	ZESOZPWOEAQIQL-UHFFFAOYSA-N	1	2	298.303	-1.023	20	5		CABDLO
O=C(NCCC[N@@H+]1CCNC(=O)C1)c1[nH]ncc1[N+](=O)[O-]	ZINC000344711339	225153724	/nfs/dbraw/zinc/15/37/24/225153724.db2.gz	DHMXKTYFQSFSKK-UHFFFAOYSA-N	1	2	296.287	-1.130	20	5		CABDLO
O=C(NCCC[N@H+]1CCNC(=O)C1)c1[nH]ncc1[N+](=O)[O-]	ZINC000344711339	225153729	/nfs/dbraw/zinc/15/37/29/225153729.db2.gz	DHMXKTYFQSFSKK-UHFFFAOYSA-N	1	2	296.287	-1.130	20	5		CABDLO
O=C(CN1CC[NH2+]CC1=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000567819158	334764273	/nfs/dbraw/zinc/76/42/73/334764273.db2.gz	VCAAMSDZSQERKI-UHFFFAOYSA-N	1	2	296.287	-1.661	20	5		CABDLO
NC(=O)[C@H]1C[N@H+](CCn2ccc([N+](=O)[O-])n2)CCO1	ZINC000176221565	534461522	/nfs/dbraw/zinc/46/15/22/534461522.db2.gz	QESBXRAJARHCRT-MRVPVSSYSA-N	1	2	269.261	-1.023	20	5		CABDLO
NC(=O)[C@H]1C[N@@H+](CCn2ccc([N+](=O)[O-])n2)CCO1	ZINC000176221565	534461527	/nfs/dbraw/zinc/46/15/27/534461527.db2.gz	QESBXRAJARHCRT-MRVPVSSYSA-N	1	2	269.261	-1.023	20	5		CABDLO
C[C@@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247227035	526208112	/nfs/dbraw/zinc/20/81/12/526208112.db2.gz	DACOGPRJGBHPGT-PSASIEDQSA-N	1	2	283.288	-1.028	20	5		CABDLO
C[C@@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247227035	526208121	/nfs/dbraw/zinc/20/81/21/526208121.db2.gz	DACOGPRJGBHPGT-PSASIEDQSA-N	1	2	283.288	-1.028	20	5		CABDLO
C[C@H]1C(=O)NCC[N@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247227039	526208518	/nfs/dbraw/zinc/20/85/18/526208518.db2.gz	DACOGPRJGBHPGT-WCBMZHEXSA-N	1	2	283.288	-1.028	20	5		CABDLO
C[C@H]1C(=O)NCC[N@@H+]1C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000247227039	526208527	/nfs/dbraw/zinc/20/85/27/526208527.db2.gz	DACOGPRJGBHPGT-WCBMZHEXSA-N	1	2	283.288	-1.028	20	5		CABDLO
O=C(N[C@@H](CO)C[NH+]1CCOCC1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000820015089	582178616	/nfs/dbraw/zinc/17/86/16/582178616.db2.gz	HSLVUTCYGXZVMV-OPRDCNLKSA-N	1	2	273.289	-1.539	20	5		CABDLO
CN(CC(=O)N1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC000825293401	582188332	/nfs/dbraw/zinc/18/83/32/582188332.db2.gz	RPPZDVCJUJEAIX-NXEZZACHSA-N	1	2	284.316	-1.116	20	5		CABDLO
NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775932	656068026	/nfs/dbraw/zinc/06/80/26/656068026.db2.gz	RPCYJUYQJLBIMX-GBMPTNJUSA-N	1	2	268.273	-1.817	20	5		CABDLO
NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001025775932	656068028	/nfs/dbraw/zinc/06/80/28/656068028.db2.gz	RPCYJUYQJLBIMX-GBMPTNJUSA-N	1	2	268.273	-1.817	20	5		CABDLO
O=C(Cn1cc[nH+]c1)N1CC(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000991287202	656230090	/nfs/dbraw/zinc/23/00/90/656230090.db2.gz	GZVCBFYUQFZDIL-NXEZZACHSA-N	1	2	293.283	-1.125	20	5		CABDLO
O=C(Cn1cc[nH+]c1)NC1CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC000994922501	656394074	/nfs/dbraw/zinc/39/40/74/656394074.db2.gz	GSDXGQKEVSDUBX-NXEZZACHSA-N	1	2	293.283	-1.125	20	5		CABDLO
Cn1nnc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)n1	ZINC001020138978	657290947	/nfs/dbraw/zinc/29/09/47/657290947.db2.gz	KVAPYKFFAVVCJM-FNCVBFRFSA-N	1	2	295.303	-1.388	20	5		CABDLO
O=C(Cn1cnc([N+](=O)[O-])n1)N1CC[NH+](CCO)CC1	ZINC001251171663	780574666	/nfs/dbraw/zinc/57/46/66/780574666.db2.gz	DECOXQYLXKEOHE-UHFFFAOYSA-N	1	2	284.276	-1.677	20	5		CABDLO
NC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001072725574	782784200	/nfs/dbraw/zinc/78/42/00/782784200.db2.gz	OZIAAEGHGQGNQW-RKDXNWHRSA-N	1	2	282.300	-1.329	20	5		CABDLO
NC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)C1	ZINC001072725574	782784207	/nfs/dbraw/zinc/78/42/07/782784207.db2.gz	OZIAAEGHGQGNQW-RKDXNWHRSA-N	1	2	282.300	-1.329	20	5		CABDLO
O=C(NCC[NH2+]Cc1cnon1)[C@@H]1C[C@H]1[N+](=O)[O-]	ZINC001126936428	775734332	/nfs/dbraw/zinc/73/43/32/775734332.db2.gz	HFUPBGBKGRBGKL-HTQZYQBOSA-N	1	2	255.234	-1.059	20	5		CABDLO
Cn1[nH]c(C[NH2+]CCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])nc1=O	ZINC001157761108	779912057	/nfs/dbraw/zinc/91/20/57/779912057.db2.gz	NDHYHAMUROWIFT-HTQZYQBOSA-N	1	2	298.303	-1.631	20	5		CABDLO
COCC[NH+]1CC(CCO)(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	ZINC001282511389	780821766	/nfs/dbraw/zinc/82/17/66/780821766.db2.gz	SKXQEBOGECGLBA-NXEZZACHSA-N	1	2	287.316	-1.149	20	5		CABDLO
C[NH+]1CCN(C(=O)CNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])CC1	ZINC001181497141	781695059	/nfs/dbraw/zinc/69/50/59/781695059.db2.gz	PRHBAVDYSKFRHB-RKDXNWHRSA-N	1	2	270.289	-1.458	20	5		CABDLO