smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
OCC1([NH2+]Cc2cncs2)CC1	159645170	538032959	/nfs/dbraw/zinc/03/29/59/538032959.db2.gz	MZITXGBJDUPLAG-UHFFFAOYSA-N	1	0	184.264	0.758	10	70		ACIERO
C[C@H](O)CC[NH2+][C@H]1C[C@H](O)C1(C)C	159561501	538033070	/nfs/dbraw/zinc/03/30/70/538033070.db2.gz	NMRLEEJSGZEAES-CIUDSAMLSA-N	1	0	187.283	0.506	10	70		ACIERO
Cn1cccc1C[NH2+]C1(CO)CC1	159645983	538033146	/nfs/dbraw/zinc/03/31/46/538033146.db2.gz	HJSJPAABUHSHGY-UHFFFAOYSA-N	1	0	180.251	0.640	10	70		ACIERO
OCc1ccc(C[NH2+]C2(CO)CC2)o1	159646968	538034475	/nfs/dbraw/zinc/03/44/75/538034475.db2.gz	SIUWUOQNSKQWJW-UHFFFAOYSA-N	1	0	197.234	0.386	10	70		ACIERO
Cn1cncc1C[NH2+]C1(CO)CC1	159652063	538035263	/nfs/dbraw/zinc/03/52/63/538035263.db2.gz	XMSZGPBEPRJTHE-UHFFFAOYSA-N	1	0	181.239	0.035	10	70		ACIERO
CO[C@@H](C)C[N@H+](C)[C@@H](C)CO	159651033	538035329	/nfs/dbraw/zinc/03/53/29/538035329.db2.gz	QDHKKQIJIMHFJE-YUMQZZPRSA-N	1	0	161.245	0.334	10	70		ACIERO
CO[C@H](C)C[N@H+](C)[C@@H](C)CO	159651178	538035411	/nfs/dbraw/zinc/03/54/11/538035411.db2.gz	QDHKKQIJIMHFJE-JGVFFNPUSA-N	1	0	161.245	0.334	10	70		ACIERO
CCn1cc(C[NH2+]C2(CO)CC2)cn1	159652535	538035974	/nfs/dbraw/zinc/03/59/74/538035974.db2.gz	VNLKIVHKWQWVTP-UHFFFAOYSA-N	1	0	195.266	0.518	10	70		ACIERO
C[C@H](O)CC[NH2+][C@@H]1C[C@H](O)C1(C)C	159561229	538037353	/nfs/dbraw/zinc/03/73/53/538037353.db2.gz	NMRLEEJSGZEAES-YIZRAAEISA-N	1	0	187.283	0.506	10	70		ACIERO
OCC1([NH2+]Cc2cccnc2)CC1	159655942	538040264	/nfs/dbraw/zinc/04/02/64/538040264.db2.gz	SWFMCCLTSXQNPB-UHFFFAOYSA-N	1	0	178.235	0.696	10	70		ACIERO
Cc1nn(C)cc1C[NH2+]C1(CO)CC1	160169715	538040779	/nfs/dbraw/zinc/04/07/79/538040779.db2.gz	BRVWWJSXEWBQQL-UHFFFAOYSA-N	1	0	195.266	0.343	10	70		ACIERO
OCC1([NH2+]Cc2ccncc2)CC1	159653714	538041274	/nfs/dbraw/zinc/04/12/74/538041274.db2.gz	VUFKKUIHJOXOFC-UHFFFAOYSA-N	1	0	178.235	0.696	10	70		ACIERO
OCC1([NH2+]Cc2ccccn2)CC1	159655577	538041849	/nfs/dbraw/zinc/04/18/49/538041849.db2.gz	BMGPGRWNYHNHQB-UHFFFAOYSA-N	1	0	178.235	0.696	10	70		ACIERO
C[C@H](CO)C[N@H+](C)[C@@H]1CCOC1	160391578	538044265	/nfs/dbraw/zinc/04/42/65/538044265.db2.gz	HIHQNBRUYDKPHV-DTWKUNHWSA-N	1	0	173.256	0.336	10	70		ACIERO
OCC1([NH2+]Cc2ccco2)CC1	159654931	538043060	/nfs/dbraw/zinc/04/30/60/538043060.db2.gz	OXOXHXSMENHNDG-UHFFFAOYSA-N	1	0	167.208	0.894	10	70		ACIERO
C[C@H](O)C(C)(C)[NH2+]Cc1cc[nH]n1	160606683	538043599	/nfs/dbraw/zinc/04/35/99/538043599.db2.gz	ZNTWOUZJYZBSOY-ZETCQYMHSA-N	1	0	183.255	0.659	10	70		ACIERO
Cc1n[nH]cc1C[NH2+]C(C)(C)[C@H](C)O	160601939	538044058	/nfs/dbraw/zinc/04/40/58/538044058.db2.gz	YCYOYZVESLWYBL-QMMMGPOBSA-N	1	0	197.282	0.967	10	70		ACIERO
Cc1n[nH]cc1C[NH2+]C(C)(C)[C@@H](C)O	160601808	538044305	/nfs/dbraw/zinc/04/43/05/538044305.db2.gz	YCYOYZVESLWYBL-MRVPVSSYSA-N	1	0	197.282	0.967	10	70		ACIERO
C[C@H](O)C(C)(C)[NH2+]Cc1ccnn1C	160601561	538044418	/nfs/dbraw/zinc/04/44/18/538044418.db2.gz	QEVDCWTZAGQDKS-QMMMGPOBSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@H](O)C(C)(C)[NH2+]Cc1cncn1C	160610107	538044492	/nfs/dbraw/zinc/04/44/92/538044492.db2.gz	ZXQHUOVYJUJGEI-QMMMGPOBSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@@H](O)C(C)(C)[NH2+]Cc1nccn1C	160617947	538044600	/nfs/dbraw/zinc/04/46/00/538044600.db2.gz	IWJAXEKLVMMRBM-MRVPVSSYSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@@H](O)C(C)(C)[NH2+]Cc1cc[nH]n1	160606785	538044679	/nfs/dbraw/zinc/04/46/79/538044679.db2.gz	ZNTWOUZJYZBSOY-SSDOTTSWSA-N	1	0	183.255	0.659	10	70		ACIERO
C[C@@H](O)C(C)(C)[NH2+]Cc1ncc[nH]1	160609983	538044833	/nfs/dbraw/zinc/04/48/33/538044833.db2.gz	YJBGFCVJPPPMTI-SSDOTTSWSA-N	1	0	183.255	0.659	10	70		ACIERO
C[C@H](O)C(C)(C)[NH2+]Cc1ccn(C)n1	160599288	538045045	/nfs/dbraw/zinc/04/50/45/538045045.db2.gz	PTJODIKXACLPDY-QMMMGPOBSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@@H](O)C(C)(C)[NH2+]Cc1cnn(C)c1	160612094	538045182	/nfs/dbraw/zinc/04/51/82/538045182.db2.gz	MJPIGIFSXZUVGX-MRVPVSSYSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@@H](O)C(C)(C)[NH2+]Cc1cncn1C	160610276	538045221	/nfs/dbraw/zinc/04/52/21/538045221.db2.gz	ZXQHUOVYJUJGEI-MRVPVSSYSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@@H](O)C(C)(C)[NH2+]Cc1cnnn1C	160613699	538045330	/nfs/dbraw/zinc/04/53/30/538045330.db2.gz	RZHJMCJXXXZCQG-SSDOTTSWSA-N	1	0	198.270	0.064	10	70		ACIERO
C[C@@H](O)C(C)(C)[NH2+]Cc1ccnn1C	160601684	538045690	/nfs/dbraw/zinc/04/56/90/538045690.db2.gz	QEVDCWTZAGQDKS-MRVPVSSYSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@@H](CO)C[N@H+](C)[C@@H]1CCOC1	160391713	538045833	/nfs/dbraw/zinc/04/58/33/538045833.db2.gz	HIHQNBRUYDKPHV-RKDXNWHRSA-N	1	0	173.256	0.336	10	70		ACIERO
C[C@@H](O)C(C)(C)[NH2+]Cc1ccn(C)n1	160599421	538046027	/nfs/dbraw/zinc/04/60/27/538046027.db2.gz	PTJODIKXACLPDY-MRVPVSSYSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@H](O)C(C)(C)[NH2+]Cc1cnnn1C	160613595	538046124	/nfs/dbraw/zinc/04/61/24/538046124.db2.gz	RZHJMCJXXXZCQG-ZETCQYMHSA-N	1	0	198.270	0.064	10	70		ACIERO
C[C@@H](O)C(C)(C)[NH2+]Cc1cn(C)nn1	160613160	538046085	/nfs/dbraw/zinc/04/60/85/538046085.db2.gz	NANUUMFNSWAJAR-SSDOTTSWSA-N	1	0	198.270	0.064	10	70		ACIERO
C[C@H](O)C(C)(C)[NH2+]Cc1cnn(C)c1	160611935	538046161	/nfs/dbraw/zinc/04/61/61/538046161.db2.gz	MJPIGIFSXZUVGX-QMMMGPOBSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@H](O)C(C)(C)[NH2+]Cc1cn(C)nn1	160613026	538046369	/nfs/dbraw/zinc/04/63/69/538046369.db2.gz	NANUUMFNSWAJAR-ZETCQYMHSA-N	1	0	198.270	0.064	10	70		ACIERO
C[C@H](O)C(C)(C)[NH2+]Cc1nccn1C	160617807	538046627	/nfs/dbraw/zinc/04/66/27/538046627.db2.gz	IWJAXEKLVMMRBM-QMMMGPOBSA-N	1	0	197.282	0.669	10	70		ACIERO
C[C@H](O)C(C)(C)[NH2+]Cc1ncc[nH]1	160609870	538046733	/nfs/dbraw/zinc/04/67/33/538046733.db2.gz	YJBGFCVJPPPMTI-ZETCQYMHSA-N	1	0	183.255	0.659	10	70		ACIERO
COC[C@H](C)CN(C)CC[NH3+]	160766642	538048951	/nfs/dbraw/zinc/04/89/51/538048951.db2.gz	KMDURFMQPSCJOK-MRVPVSSYSA-N	1	0	160.261	0.159	10	70		ACIERO
Cn1ccc(C[NH2+]C2(CO)CC2)c1	160691605	538049239	/nfs/dbraw/zinc/04/92/39/538049239.db2.gz	YKKRDGWSGGMTJC-UHFFFAOYSA-N	1	0	180.251	0.640	10	70		ACIERO
COCCN(CC[NH3+])CC(F)F	160765766	538049713	/nfs/dbraw/zinc/04/97/13/538049713.db2.gz	HSRLBDIPEAJXOX-UHFFFAOYSA-N	1	0	182.214	0.159	10	70		ACIERO
COC[C@@H](C)CN(C)CC[NH3+]	160766520	538050924	/nfs/dbraw/zinc/05/09/24/538050924.db2.gz	KMDURFMQPSCJOK-QMMMGPOBSA-N	1	0	160.261	0.159	10	70		ACIERO
CCC[N@H+](CCO)C[C@H](C)CO	160922086	538052093	/nfs/dbraw/zinc/05/20/93/538052093.db2.gz	IDJMJRRGCYEIOH-VIFPVBQESA-N	1	0	175.272	0.319	10	70		ACIERO
CCOCC[N@H+](CC)C[C@H](C)CO	160947126	538052561	/nfs/dbraw/zinc/05/25/61/538052561.db2.gz	VBQCHAADTKVHSA-JTQLQIEISA-N	1	0	189.299	0.973	10	70		ACIERO
COC1CC[NH+](C[C@H](C)CO)CC1	160905240	538053035	/nfs/dbraw/zinc/05/30/35/538053035.db2.gz	GTBNLLUPBKXQIC-VIFPVBQESA-N	1	0	187.283	0.726	10	70		ACIERO
CCN1CC[NH+](C[C@@H](C)CO)CC1	160912092	538053244	/nfs/dbraw/zinc/05/32/44/538053244.db2.gz	LWOPOEMMBMLJKQ-SNVBAGLBSA-N	1	0	186.299	0.252	10	70		ACIERO
COC[C@H]1CC[N@H+](C[C@H](C)CO)C1	160956042	538053372	/nfs/dbraw/zinc/05/33/72/538053372.db2.gz	DFRFSVUBPUYYAF-UWVGGRQHSA-N	1	0	187.283	0.583	10	70		ACIERO
CC[C@H]1C[N@H+](C[C@@H](C)CO)CCO1	160919223	538053621	/nfs/dbraw/zinc/05/36/21/538053621.db2.gz	FYCUFTUHCYYBKJ-ZJUUUORDSA-N	1	0	187.283	0.726	10	70		ACIERO
C[C@H](CO)C[N@H+](CCO)C1CC1	160919942	538053644	/nfs/dbraw/zinc/05/36/44/538053644.db2.gz	SQWXDGIUMIGOMX-QMMMGPOBSA-N	1	0	173.256	0.072	10	70		ACIERO
C[C@H](CO)C[NH+]1CCC(CO)CC1	160919694	538053766	/nfs/dbraw/zinc/05/37/66/538053766.db2.gz	KWMCBNDTSXWHRK-VIFPVBQESA-N	1	0	187.283	0.319	10	70		ACIERO
C[C@H](CO)C[NH+]1CCN(C2CC2)CC1	160933130	538054088	/nfs/dbraw/zinc/05/40/88/538054088.db2.gz	UGNLZBSQULOWPF-JTQLQIEISA-N	1	0	198.310	0.395	10	70		ACIERO
C[C@H](O)CC[N@H+](C)C[C@@H](C)CO	160959277	538054299	/nfs/dbraw/zinc/05/42/99/538054299.db2.gz	KFNHMDWLDRTBEZ-BDAKNGLRSA-N	1	0	175.272	0.318	10	70		ACIERO
CC[N@H+](C[C@H](C)CO)CC(C)(C)O	160951078	538054401	/nfs/dbraw/zinc/05/44/01/538054401.db2.gz	MYQNLVYGIOAEMC-VIFPVBQESA-N	1	0	189.299	0.708	10	70		ACIERO
CO[C@H](C)CN(CC[NH3+])C(C)C	161013799	538054823	/nfs/dbraw/zinc/05/48/23/538054823.db2.gz	CTOZYKCGOBQEDT-SECBINFHSA-N	1	0	174.288	0.690	10	70		ACIERO
CC(C)[N@@H+](CCO)C[C@@H](C)CO	160929289	538055182	/nfs/dbraw/zinc/05/51/82/538055182.db2.gz	DQKDFPFHJGYFAM-SECBINFHSA-N	1	0	175.272	0.318	10	70		ACIERO
C[C@H](CO)C[N@@H+]1CCC[C@@H]1CO	160932395	538055338	/nfs/dbraw/zinc/05/53/38/538055338.db2.gz	INOQCYRUIAPCNP-DTWKUNHWSA-N	1	0	173.256	0.072	10	70		ACIERO
C[C@@H](CO)C[N@H+](CCO)C1CC1	160920060	538055349	/nfs/dbraw/zinc/05/53/49/538055349.db2.gz	SQWXDGIUMIGOMX-MRVPVSSYSA-N	1	0	173.256	0.072	10	70		ACIERO
C[C@@H](CO)C[N@@H+]1CCC[C@H](CO)C1	160914631	538055355	/nfs/dbraw/zinc/05/53/55/538055355.db2.gz	VPIYACBUJLFGAX-ZJUUUORDSA-N	1	0	187.283	0.319	10	70		ACIERO
CC(C)[N@@H+](CCO)C[C@H](C)CO	160929417	538055388	/nfs/dbraw/zinc/05/53/88/538055388.db2.gz	DQKDFPFHJGYFAM-VIFPVBQESA-N	1	0	175.272	0.318	10	70		ACIERO
CC[C@@H]1COCC[N@@H+]1C[C@@H](C)CO	160951738	538055397	/nfs/dbraw/zinc/05/53/97/538055397.db2.gz	URJRZFAQRJXJCL-NXEZZACHSA-N	1	0	187.283	0.726	10	70		ACIERO
CC[C@H]1COCC[N@@H+]1C[C@@H](C)CO	160951858	538055444	/nfs/dbraw/zinc/05/54/44/538055444.db2.gz	URJRZFAQRJXJCL-ZJUUUORDSA-N	1	0	187.283	0.726	10	70		ACIERO
CC[C@@H]1C[N@H+](C[C@@H](C)CO)CCO1	160919077	538055600	/nfs/dbraw/zinc/05/56/00/538055600.db2.gz	FYCUFTUHCYYBKJ-NXEZZACHSA-N	1	0	187.283	0.726	10	70		ACIERO
CO[C@@H](C)CN(CC[NH3+])C(C)C	161013930	538055635	/nfs/dbraw/zinc/05/56/35/538055635.db2.gz	CTOZYKCGOBQEDT-VIFPVBQESA-N	1	0	174.288	0.690	10	70		ACIERO
CC[N@H+](C[C@@H](C)CO)CC(C)(C)O	160950943	538055739	/nfs/dbraw/zinc/05/57/39/538055739.db2.gz	MYQNLVYGIOAEMC-SECBINFHSA-N	1	0	189.299	0.708	10	70		ACIERO
CCC[N@H+](CCO)C[C@@H](C)CO	160921946	538055869	/nfs/dbraw/zinc/05/58/69/538055869.db2.gz	IDJMJRRGCYEIOH-SECBINFHSA-N	1	0	175.272	0.319	10	70		ACIERO
CCN1CC[NH+](C[C@H](C)CO)CC1	160912240	538056269	/nfs/dbraw/zinc/05/62/69/538056269.db2.gz	LWOPOEMMBMLJKQ-JTQLQIEISA-N	1	0	186.299	0.252	10	70		ACIERO
CCOCC[N@H+](CC)C[C@@H](C)CO	160947013	538056299	/nfs/dbraw/zinc/05/62/99/538056299.db2.gz	VBQCHAADTKVHSA-SNVBAGLBSA-N	1	0	189.299	0.973	10	70		ACIERO
C[C@@H](O)CC[N@H+](C)C[C@@H](C)CO	160959396	538056318	/nfs/dbraw/zinc/05/63/18/538056318.db2.gz	KFNHMDWLDRTBEZ-RKDXNWHRSA-N	1	0	175.272	0.318	10	70		ACIERO
COC[C@H]1CC[N@H+](C[C@@H](C)CO)C1	160956162	538056395	/nfs/dbraw/zinc/05/63/95/538056395.db2.gz	DFRFSVUBPUYYAF-ZJUUUORDSA-N	1	0	187.283	0.583	10	70		ACIERO
C[C@H](CO)C[N@@H+]1CCC[C@H](CO)C1	160914551	538056672	/nfs/dbraw/zinc/05/66/72/538056672.db2.gz	VPIYACBUJLFGAX-UWVGGRQHSA-N	1	0	187.283	0.319	10	70		ACIERO
COC1CC[NH+](C[C@@H](C)CO)CC1	160905367	538056822	/nfs/dbraw/zinc/05/68/22/538056822.db2.gz	GTBNLLUPBKXQIC-SECBINFHSA-N	1	0	187.283	0.726	10	70		ACIERO
C[C@@H](CO)C[NH+]1CCN(C2CC2)CC1	160933272	538056831	/nfs/dbraw/zinc/05/68/31/538056831.db2.gz	UGNLZBSQULOWPF-SNVBAGLBSA-N	1	0	198.310	0.395	10	70		ACIERO
C[C@@H](CO)C[N@@H+]1CCC[C@@H]1CO	160932458	538056999	/nfs/dbraw/zinc/05/69/99/538056999.db2.gz	INOQCYRUIAPCNP-RKDXNWHRSA-N	1	0	173.256	0.072	10	70		ACIERO
C[C@H](CO)[C@@H](C)[NH2+]C[C@@H]1CCOC1	161509537	538058014	/nfs/dbraw/zinc/05/80/14/538058014.db2.gz	VBEBARZSKJFGOS-BBBLOLIVSA-N	1	0	187.283	0.629	10	70		ACIERO
C[C@H](CO)[C@H](C)[NH2+]C[C@@H]1CCOC1	161509776	538060996	/nfs/dbraw/zinc/06/09/96/538060996.db2.gz	VBEBARZSKJFGOS-UTLUCORTSA-N	1	0	187.283	0.629	10	70		ACIERO
CC[C@H](CSC)NC1C[NH2+]C1	217328040	572103976	/nfs/dbraw/zinc/10/39/76/572103976.db2.gz	YUXKHBVYIUHADO-SSDOTTSWSA-N	1	0	174.313	0.689	10	70		ACIERO
CC[C@H](CSC)[NH2+]CC(=O)NC	217330240	573284606	/nfs/dbraw/zinc/28/46/06/573284606.db2.gz	DGGYWNNWLDHKPZ-SSDOTTSWSA-N	1	0	190.312	0.464	10	70		ACIERO
CC[C@@H](CSC)[NH2+]CC(=O)NC	217330238	573285240	/nfs/dbraw/zinc/28/52/40/573285240.db2.gz	DGGYWNNWLDHKPZ-ZETCQYMHSA-N	1	0	190.312	0.464	10	70		ACIERO
CC[C@H](CSC)[NH2+]CC(N)=O	217330352	573286492	/nfs/dbraw/zinc/28/64/92/573286492.db2.gz	JBQKAKXMHCMRTF-ZCFIWIBFSA-N	1	0	176.285	0.203	10	70		ACIERO
C[N@@H+](Cc1ccoc1)C[C@@H](O)CO	216744956	572000657	/nfs/dbraw/zinc/00/06/57/572000657.db2.gz	FCSMEJMQPNZEGO-SECBINFHSA-N	1	0	185.223	0.065	10	70		ACIERO
CCCOC[C@@]1(O)CCC[NH2+]CC1	160701639	572055239	/nfs/dbraw/zinc/05/52/39/572055239.db2.gz	ZYAYTPIGRZYLRW-SNVBAGLBSA-N	1	0	187.283	0.918	10	70		ACIERO
CCOCCOCCO[C@@H](C)C[NH3+]	218144777	573536617	/nfs/dbraw/zinc/53/66/17/573536617.db2.gz	CQWKUSOHCGPBAP-VIFPVBQESA-N	1	0	191.271	0.403	10	70		ACIERO
CC[C@H](CSC)NC(=O)C[NH3+]	217332789	573311833	/nfs/dbraw/zinc/31/18/33/573311833.db2.gz	WYGFKEVPLHBSFF-ZCFIWIBFSA-N	1	0	176.285	0.203	10	70		ACIERO
CC[C@@H](CSC)NC(=O)C[NH3+]	217332787	573313067	/nfs/dbraw/zinc/31/30/67/573313067.db2.gz	WYGFKEVPLHBSFF-LURJTMIESA-N	1	0	176.285	0.203	10	70		ACIERO
CC[C@H]1C[NH2+]C[C@@H]1N(CC)CCO	161005792	573628499	/nfs/dbraw/zinc/62/84/99/573628499.db2.gz	ZTSBXNWKIAWMHB-UWVGGRQHSA-N	1	0	186.299	0.299	10	70		ACIERO
CC[C@@H]1C[NH2+]C[C@H]1N(CC)CCO	161005917	573628602	/nfs/dbraw/zinc/62/86/02/573628602.db2.gz	ZTSBXNWKIAWMHB-NXEZZACHSA-N	1	0	186.299	0.299	10	70		ACIERO
FCCOCC[C@@H]1CC[NH2+]C1	159495510	573675661	/nfs/dbraw/zinc/67/56/61/573675661.db2.gz	CFLCVIXICLKXGF-QMMMGPOBSA-N	1	0	161.220	0.972	10	70		ACIERO
C[C@H]1CO[C@H](C)C[N@H+]1[C@@H](C)[C@@H](C)O	216921032	573728428	/nfs/dbraw/zinc/72/84/28/573728428.db2.gz	DORQAEOSZKUROY-QCLAVDOMSA-N	1	0	187.283	0.865	10	70		ACIERO
COC(=O)CCSC/C=C\C[NH3+]	217604944	573975006	/nfs/dbraw/zinc/97/50/06/573975006.db2.gz	QRPOTZVIJIDOMV-IHWYPQMZSA-N	1	0	189.280	0.798	10	70		ACIERO
C[NH2+]CCCOc1cnn(C)c1	161315000	571720050	/nfs/dbraw/zinc/72/00/50/571720050.db2.gz	WXKUGASSJXFFDC-UHFFFAOYSA-N	1	0	169.228	0.408	10	70		ACIERO
Cn1cc(OCC[NH+](C)C)cn1	161352823	571721213	/nfs/dbraw/zinc/72/12/13/571721213.db2.gz	UTQSJBZUKLJSDW-UHFFFAOYSA-N	1	0	169.228	0.361	10	70		ACIERO
CCOC(=O)C[C@@H]([NH3+])c1ccnn1C	160226141	571721530	/nfs/dbraw/zinc/72/15/30/571721530.db2.gz	KGXZEBZJELBTRT-SSDOTTSWSA-N	1	0	197.238	0.373	10	70		ACIERO
Cn1cc(OCC[NH+]2CCCC2)cn1	161352168	571721592	/nfs/dbraw/zinc/72/15/92/571721592.db2.gz	DKJANHMKDRMCLC-UHFFFAOYSA-N	1	0	195.266	0.895	10	70		ACIERO
CCOC(=O)C[C@H]([NH3+])c1ccnn1C	160226255	571721891	/nfs/dbraw/zinc/72/18/91/571721891.db2.gz	KGXZEBZJELBTRT-ZETCQYMHSA-N	1	0	197.238	0.373	10	70		ACIERO
CC[C@H](CCO)[NH2+]C(C)(C)CN	217795028	571937331	/nfs/dbraw/zinc/93/73/31/571937331.db2.gz	QMDFBXMVAQJPPS-MRVPVSSYSA-N	1	0	174.288	0.474	10	70		ACIERO
Cc1ncc(C[NH2+]C(C)(C)[C@@H](C)O)[nH]1	160606977	571944559	/nfs/dbraw/zinc/94/45/59/571944559.db2.gz	BWAYAJQJYFYMSY-SSDOTTSWSA-N	1	0	197.282	0.967	10	70		ACIERO
C[C@@H](CNC1COC1)[NH+]1CCCC1	160942999	571944758	/nfs/dbraw/zinc/94/47/58/571944758.db2.gz	HOBYFKBFFLTOBR-VIFPVBQESA-N	1	0	184.283	0.459	10	70		ACIERO
CC[C@H](C[NH2+]C)N1CC[N@H+](C)[C@@H](C)C1	216708441	571947285	/nfs/dbraw/zinc/94/72/85/571947285.db2.gz	YLTCQLIWIYKEJM-WDEREUQCSA-N	1	0	199.342	0.620	10	70		ACIERO
CCOC(=O)N[C@H](C)[C@H]1CC[NH2+]C1	160633376	571962249	/nfs/dbraw/zinc/96/22/49/571962249.db2.gz	NOSSPNFKNPFMJL-SFYZADRCSA-N	1	0	186.255	0.731	10	70		ACIERO
CCC(CC)[N@H+](C)C[C@@H](O)CO	216746480	572046305	/nfs/dbraw/zinc/04/63/05/572046305.db2.gz	HHHDOEWDXZHLTF-SECBINFHSA-N	1	0	175.272	0.460	10	70		ACIERO
CS[C@H](C)CCN1C[C@@H]([NH3+])C1=O	217325965	572054229	/nfs/dbraw/zinc/05/42/29/572054229.db2.gz	GHGNLLMFSPLOMW-RNFRBKRXSA-N	1	0	188.296	0.298	10	70		ACIERO
CS[C@H](C)CCN1C[C@H]([NH3+])C1=O	217325967	572054558	/nfs/dbraw/zinc/05/45/58/572054558.db2.gz	GHGNLLMFSPLOMW-RQJHMYQMSA-N	1	0	188.296	0.298	10	70		ACIERO
CS[C@@H](C)CCN1C[C@H]([NH3+])C1=O	217325966	572055831	/nfs/dbraw/zinc/05/58/31/572055831.db2.gz	GHGNLLMFSPLOMW-BQBZGAKWSA-N	1	0	188.296	0.298	10	70		ACIERO
CS[C@@H](C)CCN1C[C@@H]([NH3+])C1=O	217325963	572056436	/nfs/dbraw/zinc/05/64/36/572056436.db2.gz	GHGNLLMFSPLOMW-NKWVEPMBSA-N	1	0	188.296	0.298	10	70		ACIERO
CC[C@@H](CSC)NC1C[NH2+]C1	217328037	572103774	/nfs/dbraw/zinc/10/37/74/572103774.db2.gz	YUXKHBVYIUHADO-ZETCQYMHSA-N	1	0	174.313	0.689	10	70		ACIERO
C[C@H](CO)C[N@@H+]1CCCC[C@@H]1CO	160920511	572221035	/nfs/dbraw/zinc/22/10/35/572221035.db2.gz	FPGZWARXYUDQEB-VHSXEESVSA-N	1	0	187.283	0.462	10	70		ACIERO
[N-]=[N+]=NC(=O)[C@@H]([NH3+])CCCC[NH3+]	238563026	572822654	/nfs/dbraw/zinc/82/26/54/572822654.db2.gz	UDLNZXQOGDGYEP-YFKPBYRVSA-N	1	0	171.204	0.280	10	70		ACIERO
CC[C@H](CCC(=O)OC)[NH2+]C	217724996	573002028	/nfs/dbraw/zinc/00/20/28/573002028.db2.gz	KCUYFQFWOKYWGQ-SSDOTTSWSA-N	1	0	159.229	0.938	10	70		ACIERO
CCCC[C@@H]1C[C@H](O)[C@H](CO)[NH2+]1	218500623	573116952	/nfs/dbraw/zinc/11/69/52/573116952.db2.gz	BVKBOFFLOSVFJI-VGMNWLOBSA-N	1	0	173.256	0.260	10	70		ACIERO
CCCCC[C@@H]1C[C@@H](O)[C@H](CO)[NH2+]1	218500995	573117629	/nfs/dbraw/zinc/11/76/29/573117629.db2.gz	PBGNOKSTJNPWCR-KXUCPTDWSA-N	1	0	187.283	0.650	10	70		ACIERO
CC[C@@H](C)[NH2+]COC	217890074	573173388	/nfs/dbraw/zinc/17/33/88/573173388.db2.gz	RLLWSTSVDCHNNW-ZCFIWIBFSA-N	1	0	117.192	0.978	10	70		ACIERO
CC[C@H](C)[NH2+]COC	217890141	573174183	/nfs/dbraw/zinc/17/41/83/573174183.db2.gz	RLLWSTSVDCHNNW-LURJTMIESA-N	1	0	117.192	0.978	10	70		ACIERO
O=C(Nc1ccco1)N1CC[NH2+]CC1	217271536	573191535	/nfs/dbraw/zinc/19/15/35/573191535.db2.gz	MXMICIHDVVSQQX-UHFFFAOYSA-N	1	0	195.222	0.717	10	70		ACIERO
C[NH+](C)CCNC(=O)Nc1ccco1	217272052	573202114	/nfs/dbraw/zinc/20/21/14/573202114.db2.gz	MFPBEDIWRDVWMA-UHFFFAOYSA-N	1	0	197.238	0.963	10	70		ACIERO
C[NH+](C)CCNC(=O)NC(F)(F)F	217266985	573266535	/nfs/dbraw/zinc/26/65/35/573266535.db2.gz	DPWAKUKIJNHYPH-UHFFFAOYSA-N	1	0	199.176	0.367	10	70		ACIERO
CC[C@@H](CSC)[NH2+]CC(N)=O	217330351	573284884	/nfs/dbraw/zinc/28/48/84/573284884.db2.gz	JBQKAKXMHCMRTF-LURJTMIESA-N	1	0	176.285	0.203	10	70		ACIERO
CCC(C)(C)C[NH2+]C(CO)CO	218049765	573351451	/nfs/dbraw/zinc/35/14/51/573351451.db2.gz	ZTOWHPKRKIYMJK-UHFFFAOYSA-N	1	0	175.272	0.365	10	70		ACIERO
FCCOCC[C@H]1CC[NH2+]C1	159495639	573671945	/nfs/dbraw/zinc/67/19/45/573671945.db2.gz	CFLCVIXICLKXGF-MRVPVSSYSA-N	1	0	161.220	0.972	10	70		ACIERO
c1nc(COCC[C@@H]2CC[NH2+]C2)no1	159496606	573676248	/nfs/dbraw/zinc/67/62/48/573676248.db2.gz	SACYNFUUXCKMAD-QMMMGPOBSA-N	1	0	197.238	0.586	10	70		ACIERO
c1nc(COCC[C@H]2CC[NH2+]C2)no1	159496735	573677873	/nfs/dbraw/zinc/67/78/73/573677873.db2.gz	SACYNFUUXCKMAD-MRVPVSSYSA-N	1	0	197.238	0.586	10	70		ACIERO
C[C@H](O)[C@H](C)[N@@H+]1C[C@@H](C)OC[C@@H]1C	216921052	573729750	/nfs/dbraw/zinc/72/97/50/573729750.db2.gz	DORQAEOSZKUROY-JXUBOQSCSA-N	1	0	187.283	0.865	10	70		ACIERO
C[NH2+]C[C@@H](C)N1CCO[C@@H]2CCC[C@H]21	216769936	573734532	/nfs/dbraw/zinc/73/45/32/573734532.db2.gz	YMNBYQXNRXAPCO-GMTAPVOTSA-N	1	0	198.310	0.848	10	70		ACIERO
CC1(C)CC[C@@H](C[C@@H](C[NH3+])CO)O1	161016416	573930853	/nfs/dbraw/zinc/93/08/53/573930853.db2.gz	NWEZPXNLCGBGST-IUCAKERBSA-N	1	0	187.283	0.901	10	70		ACIERO
CC1(C)CC[C@@H](C[C@H](C[NH3+])CO)O1	161016595	573944381	/nfs/dbraw/zinc/94/43/81/573944381.db2.gz	NWEZPXNLCGBGST-BDAKNGLRSA-N	1	0	187.283	0.901	10	70		ACIERO
C[C@@H](O)C[N@H+](C)[C@H](C)CN(C)C	217708024	574028992	/nfs/dbraw/zinc/02/89/92/574028992.db2.gz	VTZVYOITHSZQBL-RKDXNWHRSA-N	1	0	174.288	0.249	10	70		ACIERO
C[C@@H](CC(N)=O)[NH2+][C@@H]1CCO[C@@H]1C	160669736	486977162	/nfs/dbraw/zinc/97/71/62/486977162.db2.gz	CTZIJKPRBQRLIU-XLPZGREQSA-N	1	0	186.255	0.017	10	70		ACIERO
Cc1nc(C)c(C[NH2+]CCO)o1	161144475	486978460	/nfs/dbraw/zinc/97/84/60/486978460.db2.gz	BFGNZFZRSXJOMN-UHFFFAOYSA-N	1	0	170.212	0.373	10	70		ACIERO
CC[C@H](CCO)[NH2+]CC(C)(C)O	217816802	487027964	/nfs/dbraw/zinc/02/79/64/487027964.db2.gz	SEVXOUWVAHTLBX-MRVPVSSYSA-N	1	0	175.272	0.508	10	70		ACIERO
CCC[C@@H](O)C[NH2+]CC(C)(C)O	217877664	487028076	/nfs/dbraw/zinc/02/80/76/487028076.db2.gz	NJMOYSDTHYQAGT-MRVPVSSYSA-N	1	0	175.272	0.508	10	70		ACIERO
CCC[C@H](O)C[NH2+]CC(C)(C)O	217877754	487028094	/nfs/dbraw/zinc/02/80/94/487028094.db2.gz	NJMOYSDTHYQAGT-QMMMGPOBSA-N	1	0	175.272	0.508	10	70		ACIERO
CC[C@@H](CCO)[NH2+]CC(C)(C)O	217816709	487028343	/nfs/dbraw/zinc/02/83/43/487028343.db2.gz	SEVXOUWVAHTLBX-QMMMGPOBSA-N	1	0	175.272	0.508	10	70		ACIERO
C[C@@H](CO)[N@H+](C)CCCCCCO	218149500	582540793	/nfs/dbraw/zinc/54/07/93/582540793.db2.gz	BHEWKHLCTCTOHM-JTQLQIEISA-N	1	0	189.299	0.852	10	70		ACIERO
COC(C[NH2+][C@@H](C)c1cn[nH]c1)OC	218062566	583491271	/nfs/dbraw/zinc/49/12/71/583491271.db2.gz	VJDOERQEBRLQHR-ZETCQYMHSA-N	1	0	199.254	0.679	10	70		ACIERO
COC(C[NH2+][C@H](C)c1cn[nH]c1)OC	218062645	583491455	/nfs/dbraw/zinc/49/14/55/583491455.db2.gz	VJDOERQEBRLQHR-SSDOTTSWSA-N	1	0	199.254	0.679	10	70		ACIERO
CCC(CC)NC(=O)N1CC[NH2+]CC1	217304900	490067499	/nfs/dbraw/zinc/06/74/99/490067499.db2.gz	XLHFMBZRHIYZFQ-UHFFFAOYSA-N	1	0	199.298	0.790	10	70		ACIERO
CCC[C@@H](C)[N@@H+]1CCO[C@@H](CO)C1	218590341	490070036	/nfs/dbraw/zinc/07/00/36/490070036.db2.gz	YMPREIXBBJLAEY-NXEZZACHSA-N	1	0	187.283	0.868	10	70		ACIERO
CCC[C@H](C)[N@@H+]1CCO[C@@H](CO)C1	218590414	490070276	/nfs/dbraw/zinc/07/02/76/490070276.db2.gz	YMPREIXBBJLAEY-VHSXEESVSA-N	1	0	187.283	0.868	10	70		ACIERO
CCNC(=[NH2+])NCc1cn(C)nc1C	160244324	344160708	/nfs/dbraw/zinc/16/07/08/344160708.db2.gz	GNADJGFTJYPHMN-UHFFFAOYSA-N	1	0	195.270	0.362	10	70		ACIERO
CCNC(=[NH2+])NC1CC(C)C1	160161202	344159191	/nfs/dbraw/zinc/15/91/91/344159191.db2.gz	KMTKHSXKUFMMBW-UHFFFAOYSA-N	1	0	155.245	0.919	10	70		ACIERO
CC[C@H]1CN(C(=[NH2+])NC)CCS1	160199565	344159714	/nfs/dbraw/zinc/15/97/14/344159714.db2.gz	QLTVJRYANWMDCL-ZETCQYMHSA-N	1	0	187.312	0.968	10	70		ACIERO
NOCCNc1ccc(C(N)=[NH2+])cc1	217500097	344402268	/nfs/dbraw/zinc/40/22/68/344402268.db2.gz	FMFYVZBAQVHKFC-UHFFFAOYSA-N	1	0	194.238	0.273	10	70		ACIERO
C[C@H]1CN([C@H](C)C(N)=[NH2+])CCCO1	217578756	344403525	/nfs/dbraw/zinc/40/35/25/344403525.db2.gz	IMCJDYSXCLBDSR-JGVFFNPUSA-N	1	0	185.271	0.422	10	70		ACIERO
CO[C@H]1CC[N@@H+]([C@H]2CCN(C)C2)C1	218000449	344408936	/nfs/dbraw/zinc/40/89/36/344408936.db2.gz	SYHFWTXUGMOQKS-UWVGGRQHSA-N	1	0	184.283	0.411	10	70		ACIERO
CC[NH+]1CCC(NC(N)=S)CC1	218333552	344411586	/nfs/dbraw/zinc/41/15/86/344411586.db2.gz	ZHFGKMDJJUCVMT-UHFFFAOYSA-N	1	0	187.312	0.304	10	70		ACIERO
CN(C)N[C@@H]1CC[N@@H+]2CCC[C@@H]12	218395350	344412103	/nfs/dbraw/zinc/41/21/03/344412103.db2.gz	USMGQJMJQTYKIR-BDAKNGLRSA-N	1	0	169.272	0.289	10	70		ACIERO
C[C@@H](C[NH+](C)C)NC#N	161150480	344186197	/nfs/dbraw/zinc/18/61/97/344186197.db2.gz	DAAUBGDGVUITGM-LURJTMIESA-N	1	0	127.191	0.007	10	70		ACIERO
COc1cc(C(N)=[NH2+])cc2c1OCO2	159528633	344147284	/nfs/dbraw/zinc/14/72/84/344147284.db2.gz	XEPGXVPRFVZAHZ-UHFFFAOYSA-N	1	0	194.190	0.708	10	70		ACIERO
C[C@H]1CC(OCC(N)=[NH2+])C[C@H](C)O1	159571785	344148582	/nfs/dbraw/zinc/14/85/82/344148582.db2.gz	BIYPUJLWRJGXQF-BQBZGAKWSA-N	1	0	186.255	0.895	10	70		ACIERO
CCC[NH+]1CCN(C#N)CC1	159768058	344151618	/nfs/dbraw/zinc/15/16/18/344151618.db2.gz	GKLLGBDRECUIBO-UHFFFAOYSA-N	1	0	153.229	0.495	10	70		ACIERO
[NH2+]=C1N[C@@H](c2cc(O)cc(F)c2)CO1	159788287	344152140	/nfs/dbraw/zinc/15/21/40/344152140.db2.gz	SFKUZJVBHQHNJQ-MRVPVSSYSA-N	1	0	196.181	0.917	10	70		ACIERO
[NH2+]=C1N[C@H](c2cc(O)cc(F)c2)CO1	159788155	344152345	/nfs/dbraw/zinc/15/23/45/344152345.db2.gz	SFKUZJVBHQHNJQ-QMMMGPOBSA-N	1	0	196.181	0.917	10	70		ACIERO
CC[C@@H]1CN(C(=[NH2+])NC)CCS1	160199418	344159383	/nfs/dbraw/zinc/15/93/83/344159383.db2.gz	QLTVJRYANWMDCL-SSDOTTSWSA-N	1	0	187.312	0.968	10	70		ACIERO
CCc1nn(C)cc1[C@@H]1CNC(=[NH2+])O1	160263276	344161064	/nfs/dbraw/zinc/16/10/64/344161064.db2.gz	JZBQOZJAZMKPNU-QMMMGPOBSA-N	1	0	194.238	0.369	10	70		ACIERO
CCc1nn(C)cc1[C@H]1CNC(=[NH2+])O1	160263427	344161420	/nfs/dbraw/zinc/16/14/20/344161420.db2.gz	JZBQOZJAZMKPNU-MRVPVSSYSA-N	1	0	194.238	0.369	10	70		ACIERO
C[NH2+]CCNc1ncccc1OC	160278501	344161698	/nfs/dbraw/zinc/16/16/98/344161698.db2.gz	ZSEZJEUBDSJBQA-UHFFFAOYSA-N	1	0	181.239	0.722	10	70		ACIERO
CNC(=[NH2+])NC1CC=CC1	160347771	344163507	/nfs/dbraw/zinc/16/35/07/344163507.db2.gz	ZFSZEOVXCISGJC-UHFFFAOYSA-N	1	0	139.202	0.449	10	70		ACIERO
CCNC(=[NH2+])NC1CC=CC1	160347908	344163554	/nfs/dbraw/zinc/16/35/54/344163554.db2.gz	BOZCHOHVXFWUMD-UHFFFAOYSA-N	1	0	153.229	0.839	10	70		ACIERO
CCN(CC[NH3+])c1ncccc1OC	160370321	344164111	/nfs/dbraw/zinc/16/41/11/344164111.db2.gz	WZTXFNRRNIJXHN-UHFFFAOYSA-N	1	0	195.266	0.875	10	70		ACIERO
Cn1ccn(CC[NH+]2CCCC2)c1=O	160417869	344165244	/nfs/dbraw/zinc/16/52/44/344165244.db2.gz	OIIVCQUNLJRHRV-UHFFFAOYSA-N	1	0	195.266	0.283	10	70		ACIERO
CNC(=[NH2+])NCc1ccncc1C	160680178	344174188	/nfs/dbraw/zinc/17/41/88/344174188.db2.gz	YIERNHRCLVYQOR-UHFFFAOYSA-N	1	0	178.239	0.634	10	70		ACIERO
CNC(=[NH2+])C1(OC)CCOCC1	160925282	344180633	/nfs/dbraw/zinc/18/06/33/344180633.db2.gz	CWVOSJHUVFAUEB-UHFFFAOYSA-N	1	0	172.228	0.379	10	70		ACIERO
CC[C@@](C)(OC)C(=[NH2+])NC	160924313	344180671	/nfs/dbraw/zinc/18/06/71/344180671.db2.gz	CAPJWLHFODECEC-SSDOTTSWSA-N	1	0	144.218	0.998	10	70		ACIERO
CC[C@](C)(OC)C(=[NH2+])NC	160924158	344180772	/nfs/dbraw/zinc/18/07/72/344180772.db2.gz	CAPJWLHFODECEC-ZETCQYMHSA-N	1	0	144.218	0.998	10	70		ACIERO
COC1(C(=[NH2+])NC2CC2)CCOCC1	160940708	344181200	/nfs/dbraw/zinc/18/12/00/344181200.db2.gz	QOSBSVYNNJEZLL-UHFFFAOYSA-N	1	0	198.266	0.911	10	70		ACIERO
N#CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1	160958803	344181689	/nfs/dbraw/zinc/18/16/89/344181689.db2.gz	WQTYVLJVGXXLSB-DTWKUNHWSA-N	1	0	165.240	0.684	10	70		ACIERO
C[C@H](CNC#N)[NH+]1CCCC1	160951117	344181532	/nfs/dbraw/zinc/18/15/32/344181532.db2.gz	OYHAUYYPXRBUKI-MRVPVSSYSA-N	1	0	153.229	0.541	10	70		ACIERO
C[C@@H]1C[C@H](NC#N)CC[N@@H+]1C	160959056	344181562	/nfs/dbraw/zinc/18/15/62/344181562.db2.gz	DNTIYYKWOAMWEB-HTQZYQBOSA-N	1	0	153.229	0.540	10	70		ACIERO
N#CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1	160958547	344181592	/nfs/dbraw/zinc/18/15/92/344181592.db2.gz	WQTYVLJVGXXLSB-RKDXNWHRSA-N	1	0	165.240	0.684	10	70		ACIERO
C[C@H]1C[C@H](NC#N)CC[N@@H+]1C	160959173	344181597	/nfs/dbraw/zinc/18/15/97/344181597.db2.gz	DNTIYYKWOAMWEB-JGVFFNPUSA-N	1	0	153.229	0.540	10	70		ACIERO
C[C@@H](CNC#N)[NH+]1CCCC1	160951004	344181603	/nfs/dbraw/zinc/18/16/03/344181603.db2.gz	OYHAUYYPXRBUKI-QMMMGPOBSA-N	1	0	153.229	0.541	10	70		ACIERO
C[C@@H]1C[C@@H](NC#N)CC[N@@H+]1C	160959311	344181654	/nfs/dbraw/zinc/18/16/54/344181654.db2.gz	DNTIYYKWOAMWEB-SFYZADRCSA-N	1	0	153.229	0.540	10	70		ACIERO
C[C@H]1C[C@@H](NC#N)CC[N@@H+]1C	160959432	344181797	/nfs/dbraw/zinc/18/17/97/344181797.db2.gz	DNTIYYKWOAMWEB-YUMQZZPRSA-N	1	0	153.229	0.540	10	70		ACIERO
N#CN[C@H]1CC[N@@H+]2CCC[C@H]2C1	160958935	344181806	/nfs/dbraw/zinc/18/18/06/344181806.db2.gz	WQTYVLJVGXXLSB-IUCAKERBSA-N	1	0	165.240	0.684	10	70		ACIERO
N#CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1	160958680	344181850	/nfs/dbraw/zinc/18/18/50/344181850.db2.gz	WQTYVLJVGXXLSB-BDAKNGLRSA-N	1	0	165.240	0.684	10	70		ACIERO
C[C@H](C[NH+](C)C)NC#N	161150615	344186207	/nfs/dbraw/zinc/18/62/07/344186207.db2.gz	DAAUBGDGVUITGM-ZCFIWIBFSA-N	1	0	127.191	0.007	10	70		ACIERO
NOCc1ccc(C(N)=[NH2+])cc1	217474576	344401610	/nfs/dbraw/zinc/40/16/10/344401610.db2.gz	JAZANDLWODVWHS-UHFFFAOYSA-N	1	0	165.196	0.361	10	70		ACIERO
CCOCn1cc[nH+]c1N	217597130	344403881	/nfs/dbraw/zinc/40/38/81/344403881.db2.gz	SKQFACFQZZRSIU-UHFFFAOYSA-N	1	0	141.174	0.459	10	70		ACIERO
C[N@@H+]1CCC[C@H]1CNCc1ncc[nH]1	218234862	344410489	/nfs/dbraw/zinc/41/04/89/344410489.db2.gz	ONILJAAEAZYVQX-VIFPVBQESA-N	1	0	194.282	0.594	10	70		ACIERO
CC[C@@H]1CO[C@@H](C)CN1CC(N)=[NH2+]	218335381	344411606	/nfs/dbraw/zinc/41/16/06/344411606.db2.gz	HFWJVVIISVXRLP-JGVFFNPUSA-N	1	0	185.271	0.422	10	70		ACIERO
CN(C)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12	218398118	344411743	/nfs/dbraw/zinc/41/17/43/344411743.db2.gz	WQEKFCYUJYWBIH-ZJUUUORDSA-N	1	0	183.299	0.679	10	70		ACIERO
CN(C)N[C@H]1CC[N@@H+]2CCCC[C@@H]12	218398200	344411809	/nfs/dbraw/zinc/41/18/09/344411809.db2.gz	WQEKFCYUJYWBIH-UWVGGRQHSA-N	1	0	183.299	0.679	10	70		ACIERO
CN(C)N[C@H]1CC[N@@H+]2CCC[C@@H]12	218395433	344412077	/nfs/dbraw/zinc/41/20/77/344412077.db2.gz	USMGQJMJQTYKIR-IUCAKERBSA-N	1	0	169.272	0.289	10	70		ACIERO
N#CN1CC[NH+](C2CCOCC2)CC1	218446167	344412366	/nfs/dbraw/zinc/41/23/66/344412366.db2.gz	ATOCHVONXABZDE-UHFFFAOYSA-N	1	0	195.266	0.264	10	70		ACIERO
CCN1CCO[C@H](N(C)C)C1	218486460	344412703	/nfs/dbraw/zinc/41/27/03/344412703.db2.gz	HREXOHZBFQOGQK-QMMMGPOBSA-N	1	0	158.245	0.226	10	70		ACIERO
CCN1CCO[C@@H](N(C)C)C1	218486535	344412913	/nfs/dbraw/zinc/41/29/13/344412913.db2.gz	HREXOHZBFQOGQK-MRVPVSSYSA-N	1	0	158.245	0.226	10	70		ACIERO
CCc1[nH+]c(N)n(C)c1C	218548749	344413552	/nfs/dbraw/zinc/41/35/52/344413552.db2.gz	ANIMIQBSHCPPBA-UHFFFAOYSA-N	1	0	139.202	0.873	10	70		ACIERO
CCc1c(C)[nH+]c(N)n1C	218548646	344413698	/nfs/dbraw/zinc/41/36/98/344413698.db2.gz	KSDDUGHHJIXBOB-UHFFFAOYSA-N	1	0	139.202	0.873	10	70		ACIERO
Cn1c(-c2ccc[nH]2)c[nH+]c1N	218684887	344414827	/nfs/dbraw/zinc/41/48/27/344414827.db2.gz	JXSTVMBWBZHHLL-UHFFFAOYSA-N	1	0	162.196	0.997	10	70		ACIERO
CCCCC[N@@H+]1CCNC(=O)CC1	218667700	344415007	/nfs/dbraw/zinc/41/50/07/344415007.db2.gz	MPVXFRZKCGVYFE-UHFFFAOYSA-N	1	0	184.283	0.999	10	70		ACIERO
CCC1CN(C(N)=[NH2+])C1	218730262	344415136	/nfs/dbraw/zinc/41/51/36/344415136.db2.gz	GFOZFQLYFJCXMB-UHFFFAOYSA-N	1	0	127.191	0.222	10	70		ACIERO
CCOC1CC(NC(N)=[NH2+])C1	218743134	344415636	/nfs/dbraw/zinc/41/56/36/344415636.db2.gz	VTJKNMCXWDWJOP-UHFFFAOYSA-N	1	0	157.217	0.037	10	70		ACIERO
C=CC[N@@H+]([SiH3])C1CCCC1	584591581	346719114	/nfs/dbraw/zinc/71/91/14/346719114.db2.gz	DPCGCGZVUITDAZ-UHFFFAOYSA-N	1	0	155.317	0.697	10	70		ACIERO
C[C@@H]1CCC[C@@H](C)[NH+]1[SiH3]	584624219	346732212	/nfs/dbraw/zinc/73/22/12/346732212.db2.gz	IPCODLNIAKRKEY-RNFRBKRXSA-N	1	0	143.306	0.530	10	70		ACIERO
C[C@H]1CCC[C@H](C)[NH+]1[SiH3]	584624217	346732302	/nfs/dbraw/zinc/73/23/02/346732302.db2.gz	IPCODLNIAKRKEY-BQBZGAKWSA-N	1	0	143.306	0.530	10	70		ACIERO
C[C@H]1CCC[C@@H](C)[N@@H+]1[SiH3]	584624218	346732415	/nfs/dbraw/zinc/73/24/15/346732415.db2.gz	IPCODLNIAKRKEY-KNVOCYPGSA-N	1	0	143.306	0.530	10	70		ACIERO
C[C@H]1C[C@H](C)C[NH+]([SiH3])C1	584630652	346734839	/nfs/dbraw/zinc/73/48/39/346734839.db2.gz	RUDLWONBFKIGSP-BQBZGAKWSA-N	1	0	143.306	0.245	10	70		ACIERO
C[C@H]1C[C@@H](C)C[N@H+]([SiH3])C1	584630655	346734940	/nfs/dbraw/zinc/73/49/40/346734940.db2.gz	RUDLWONBFKIGSP-KNVOCYPGSA-N	1	0	143.306	0.245	10	70		ACIERO
C[C@@H]1C[C@@H](C)C[NH+]([SiH3])C1	584630657	346735025	/nfs/dbraw/zinc/73/50/25/346735025.db2.gz	RUDLWONBFKIGSP-RNFRBKRXSA-N	1	0	143.306	0.245	10	70		ACIERO
[SiH3][NH2+]Cc1ccccc1	584641791	346739220	/nfs/dbraw/zinc/73/92/20/346739220.db2.gz	DMSPFACBWOXIBX-UHFFFAOYSA-N	1	0	137.258	0.057	10	70		ACIERO
CCC[N@H+]([SiH3])C(C)C	584644572	346739760	/nfs/dbraw/zinc/73/97/60/346739760.db2.gz	CNHKSGTXWLJEAO-UHFFFAOYSA-N	1	0	131.295	0.387	10	70		ACIERO
C[N@H+]([SiH3])C1CCCCC1	584644652	346740025	/nfs/dbraw/zinc/74/00/25/346740025.db2.gz	OQLNRLSREPYVEN-UHFFFAOYSA-N	1	0	143.306	0.531	10	70		ACIERO
CC[N@H+]([SiH3])C1CCCCC1	584644713	346740571	/nfs/dbraw/zinc/74/05/71/346740571.db2.gz	XLQBVGUBXYNRRJ-UHFFFAOYSA-N	1	0	157.333	0.921	10	70		ACIERO
C[NH+](C)CCC[SiH2]c1ccccc1	584652378	346743011	/nfs/dbraw/zinc/74/30/11/346743011.db2.gz	IEBSMXCVQHAPKB-UHFFFAOYSA-N	1	0	193.366	0.851	10	70		ACIERO
CC(=O)C[N@@H+]1CC[C@H](CCO)C1	159721938	351755347	/nfs/dbraw/zinc/75/53/47/351755347.db2.gz	AIOSDMWYCPMLRR-SECBINFHSA-N	1	0	171.240	0.280	10	70		ACIERO
CC(=O)C[N@@H+]1CC[C@@H](CCO)C1	159722081	351755403	/nfs/dbraw/zinc/75/54/03/351755403.db2.gz	AIOSDMWYCPMLRR-VIFPVBQESA-N	1	0	171.240	0.280	10	70		ACIERO
COc1cc(C)nc(N(C)CC[NH3+])n1	159578469	351755809	/nfs/dbraw/zinc/75/58/09/351755809.db2.gz	NJQYKDQAFXQTHY-UHFFFAOYSA-N	1	0	196.254	0.189	10	70		ACIERO
C[NH2+]CCNc1nc(C)cc(OC)n1	159578289	351756113	/nfs/dbraw/zinc/75/61/13/351756113.db2.gz	XXNDIBWPECHSNL-UHFFFAOYSA-N	1	0	196.254	0.425	10	70		ACIERO
CC(C)=C[SiH2]c1ccc(C[NH3+])cc1	205069751	371705689	/nfs/dbraw/zinc/70/56/89/371705689.db2.gz	DZNZRAGRHRUDOQ-UHFFFAOYSA-N	1	0	191.350	0.863	10	70		ACIERO
C[C@@H]1CCCC[N@@H+]1[SiH3]	584625944	371839465	/nfs/dbraw/zinc/83/94/65/371839465.db2.gz	NVBHLAUKUBQHSG-ZCFIWIBFSA-N	1	0	129.279	0.141	10	70		ACIERO
C[C@H]1CCCC[N@@H+]1[SiH3]	584625943	371839589	/nfs/dbraw/zinc/83/95/89/371839589.db2.gz	NVBHLAUKUBQHSG-LURJTMIESA-N	1	0	129.279	0.141	10	70		ACIERO
C[N+](C)(C)CCS(=O)(=O)Cl	104554188	717147737	/nfs/dbraw/zinc/14/77/37/717147737.db2.gz	SAXMUQWPNOAZLU-UHFFFAOYSA-N	1	0	186.684	0.261	10	70		ACIERO
CC[C@@H]1C[NH2+]C[C@@H]1N(CC)CCO	161005671	573629307	/nfs/dbraw/zinc/62/93/07/573629307.db2.gz	ZTSBXNWKIAWMHB-ZJUUUORDSA-N	1	0	186.299	0.299	10	70		ACIERO