smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C)C[N@@H+]1CC[C@H]([C@@H](C)O)C1	159471960	538033596	/nfs/dbraw/zinc/03/35/96/538033596.db2.gz	OLMXPCDIKSPARM-TUAOUCFPSA-N	1	0	199.338	2.125	10	70		AEIERO
OCC1([NH2+]CC2CCCCCC2)CC1	159645467	538037243	/nfs/dbraw/zinc/03/72/43/538037243.db2.gz	NUSFUGZOEUWVEB-UHFFFAOYSA-N	1	0	197.322	2.071	10	70		AEIERO
CC(C)CCC[N@@H+]1CC[C@H](CCO)C1	159772007	538038749	/nfs/dbraw/zinc/03/87/49/538038749.db2.gz	HBDWEPHYVNVEOE-GFCCVEGCSA-N	1	0	199.338	2.127	10	70		AEIERO
CC(C)CCC[N@@H+]1CC[C@@H](CCO)C1	159772174	538039379	/nfs/dbraw/zinc/03/93/79/538039379.db2.gz	HBDWEPHYVNVEOE-LBPRGKRZSA-N	1	0	199.338	2.127	10	70		AEIERO
C[C@@H](O)C(C)(C)[NH2+]CC1CCCCC1	160611799	538044291	/nfs/dbraw/zinc/04/42/91/538044291.db2.gz	ATRIQVDEHFVWKD-SNVBAGLBSA-N	1	0	199.338	2.316	10	70		AEIERO
C[C@@H](O)C(C)(C)[NH2+]C[C@H]1CC=CCC1	160611285	538044378	/nfs/dbraw/zinc/04/43/78/538044378.db2.gz	FJQJPYXGBIDMMR-MNOVXSKESA-N	1	0	197.322	2.092	10	70		AEIERO
C[C@H](O)C(C)(C)[NH2+]CC1CCCCC1	160611670	538045561	/nfs/dbraw/zinc/04/55/61/538045561.db2.gz	ATRIQVDEHFVWKD-JTQLQIEISA-N	1	0	199.338	2.316	10	70		AEIERO
C[C@H](O)C(C)(C)[NH2+]C[C@H]1CC=CCC1	160611181	538045781	/nfs/dbraw/zinc/04/57/81/538045781.db2.gz	FJQJPYXGBIDMMR-QWRGUYRKSA-N	1	0	197.322	2.092	10	70		AEIERO
C[C@H](O)C(C)(C)[NH2+]C[C@@H]1CC=CCC1	160611417	538046048	/nfs/dbraw/zinc/04/60/48/538046048.db2.gz	FJQJPYXGBIDMMR-WDEREUQCSA-N	1	0	197.322	2.092	10	70		AEIERO
C[C@@H](O)C(C)(C)[NH2+]C[C@@H]1CC=CCC1	160611538	538046110	/nfs/dbraw/zinc/04/61/10/538046110.db2.gz	FJQJPYXGBIDMMR-GHMZBOCLSA-N	1	0	197.322	2.092	10	70		AEIERO
CCC1([NH2+]Cc2ccn(C)c2)CCC1	160688412	538047629	/nfs/dbraw/zinc/04/76/29/538047629.db2.gz	GXVSJVHDVQSKDM-UHFFFAOYSA-N	1	0	192.306	2.447	10	70		AEIERO
Cn1ccc(C[NH2+]CCCC2CC2)c1	160685696	538051276	/nfs/dbraw/zinc/05/12/76/538051276.db2.gz	SKRQDWYIOBHROB-UHFFFAOYSA-N	1	0	192.306	2.305	10	70		AEIERO
CC1CCC([N@@H+](C)C[C@@H](C)CO)CC1	160909156	538052919	/nfs/dbraw/zinc/05/29/19/538052919.db2.gz	CMLVGUTVHSPASI-MOENNCHZSA-N	1	0	199.338	2.125	10	70		AEIERO
CCC(CC)(CC)[NH2+]C[C@H](C)CO	160972959	538053461	/nfs/dbraw/zinc/05/34/61/538053461.db2.gz	RXPZPCJPVHMIIB-JTQLQIEISA-N	1	0	187.327	2.173	10	70		AEIERO
CC(C)CC[N@H+](C[C@H](C)CO)C1CC1	160922370	538053653	/nfs/dbraw/zinc/05/36/53/538053653.db2.gz	YTNOQDMXGDUQGF-NSHDSACASA-N	1	0	199.338	2.125	10	70		AEIERO
CCC1(CC)CC[N@H+](C[C@H](C)CO)C1	160966734	538053808	/nfs/dbraw/zinc/05/38/08/538053808.db2.gz	XVGWXSPIIVNDOB-NSHDSACASA-N	1	0	199.338	2.127	10	70		AEIERO
CCC1(C)CC[NH+](C[C@H](C)CO)CC1	160936960	538053903	/nfs/dbraw/zinc/05/39/03/538053903.db2.gz	CGBGLKCRICQPNQ-NSHDSACASA-N	1	0	199.338	2.127	10	70		AEIERO
C[C@@H]1CCC[C@H]([N@@H+](C)C[C@@H](C)CO)C1	160923109	538054022	/nfs/dbraw/zinc/05/40/22/538054022.db2.gz	AGSADKZDAVNOKY-UTUOFQBUSA-N	1	0	199.338	2.125	10	70		AEIERO
CC1CCC([N@@H+](C)C[C@H](C)CO)CC1	160909292	538054063	/nfs/dbraw/zinc/05/40/63/538054063.db2.gz	CMLVGUTVHSPASI-CXQJBGSLSA-N	1	0	199.338	2.125	10	70		AEIERO
CCC1(C)CC[NH+](C[C@@H](C)CO)CC1	160936828	538054658	/nfs/dbraw/zinc/05/46/58/538054658.db2.gz	CGBGLKCRICQPNQ-LLVKDONJSA-N	1	0	199.338	2.127	10	70		AEIERO
CCC(CC)(CC)[NH2+]C[C@@H](C)CO	160972819	538054877	/nfs/dbraw/zinc/05/48/77/538054877.db2.gz	RXPZPCJPVHMIIB-SNVBAGLBSA-N	1	0	187.327	2.173	10	70		AEIERO
C[C@@H]1CCC[C@@H]([N@@H+](C)C[C@@H](C)CO)C1	160923353	538054950	/nfs/dbraw/zinc/05/49/50/538054950.db2.gz	AGSADKZDAVNOKY-IJLUTSLNSA-N	1	0	199.338	2.125	10	70		AEIERO
CC[N@H+](C[C@@H](C)CO)C1CCCCC1	160920780	538055316	/nfs/dbraw/zinc/05/53/16/538055316.db2.gz	ZJMYPUDYZMBVDH-LLVKDONJSA-N	1	0	199.338	2.269	10	70		AEIERO
CC[C@H]1CCCCC[N@@H+]1C[C@@H](C)CO	160956439	538055380	/nfs/dbraw/zinc/05/53/80/538055380.db2.gz	IHEUQCUCPZHMDQ-NEPJUHHUSA-N	1	0	199.338	2.269	10	70		AEIERO
CC[N@H+](C[C@H](C)CO)C1CCCCC1	160920932	538055420	/nfs/dbraw/zinc/05/54/20/538055420.db2.gz	ZJMYPUDYZMBVDH-NSHDSACASA-N	1	0	199.338	2.269	10	70		AEIERO
CC[C@@H]1CCC[N@H+](C[C@@H](C)CO)CC1	160952745	538055424	/nfs/dbraw/zinc/05/54/24/538055424.db2.gz	ZELDZQIOINAOFD-VXGBXAGGSA-N	1	0	199.338	2.127	10	70		AEIERO
CC[C@H]1CCC[N@H+](C[C@@H](C)CO)CC1	160952854	538055777	/nfs/dbraw/zinc/05/57/77/538055777.db2.gz	ZELDZQIOINAOFD-NEPJUHHUSA-N	1	0	199.338	2.127	10	70		AEIERO
CC[C@@H]1CCCCC[N@@H+]1C[C@@H](C)CO	160956296	538055990	/nfs/dbraw/zinc/05/59/90/538055990.db2.gz	IHEUQCUCPZHMDQ-VXGBXAGGSA-N	1	0	199.338	2.269	10	70		AEIERO
CC(C)CC[N@H+](C[C@@H](C)CO)C1CC1	160922236	538056186	/nfs/dbraw/zinc/05/61/86/538056186.db2.gz	YTNOQDMXGDUQGF-LLVKDONJSA-N	1	0	199.338	2.125	10	70		AEIERO
C[C@H](CO)C[N@H+](C)C1CCCCCC1	160908816	538056558	/nfs/dbraw/zinc/05/65/58/538056558.db2.gz	WPARGZCHKWYBNV-NSHDSACASA-N	1	0	199.338	2.269	10	70		AEIERO
C[C@@H](CO)C[N@H+](C)C1CCCCCC1	160908957	538056742	/nfs/dbraw/zinc/05/67/42/538056742.db2.gz	WPARGZCHKWYBNV-LLVKDONJSA-N	1	0	199.338	2.269	10	70		AEIERO
CCC1(CC)CC[N@H+](C[C@@H](C)CO)C1	160966605	538056928	/nfs/dbraw/zinc/05/69/28/538056928.db2.gz	XVGWXSPIIVNDOB-LLVKDONJSA-N	1	0	199.338	2.127	10	70		AEIERO
C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1cscn1	161170665	538057620	/nfs/dbraw/zinc/05/76/20/538057620.db2.gz	YZYIDRQNTRNBJO-XHNCKOQMSA-N	1	0	196.319	2.450	10	70		AEIERO
C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1cscn1	161170908	538058150	/nfs/dbraw/zinc/05/81/50/538058150.db2.gz	YZYIDRQNTRNBJO-CIUDSAMLSA-N	1	0	196.319	2.450	10	70		AEIERO
C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1cscn1	161170789	538058200	/nfs/dbraw/zinc/05/82/00/538058200.db2.gz	YZYIDRQNTRNBJO-VGMNWLOBSA-N	1	0	196.319	2.450	10	70		AEIERO
C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1cscn1	161170560	538058404	/nfs/dbraw/zinc/05/84/04/538058404.db2.gz	YZYIDRQNTRNBJO-HRDYMLBCSA-N	1	0	196.319	2.450	10	70		AEIERO
CC[C@H](C)C[NH2+]C[C@@H]1C[C@@H]1C	161493647	538058844	/nfs/dbraw/zinc/05/88/44/538058844.db2.gz	LWXHAXWMMDMFMI-GUBZILKMSA-N	1	0	155.285	2.278	10	70		AEIERO
CC[C@H](C)C[NH2+]C[C@H]1C[C@@H]1C	161493862	538061596	/nfs/dbraw/zinc/06/15/96/538061596.db2.gz	LWXHAXWMMDMFMI-LPEHRKFASA-N	1	0	155.285	2.278	10	70		AEIERO
CCCC(=[NH2+])NCC[C@@H](C)SC	217324451	572042816	/nfs/dbraw/zinc/04/28/16/572042816.db2.gz	FLASLDBRUYTBKJ-MRVPVSSYSA-N	1	0	188.340	2.495	10	70		AEIERO
CC[NH2+][C@@H](C[C@@H]1CCOC1)C(C)C	160890517	571986534	/nfs/dbraw/zinc/98/65/34/571986534.db2.gz	MOMCVGHJKXMMMF-QWRGUYRKSA-N	1	0	185.311	2.047	10	70		AEIERO
CCC[N@H+](C)[C@H]1C[C@@H](CC)CC[C@@H]1O	216901249	573023231	/nfs/dbraw/zinc/02/32/31/573023231.db2.gz	DALBOSDZUYPOAC-SRVKXCTJSA-N	1	0	199.338	2.268	10	70		AEIERO
C[NH2+]C[C@H](C)OCCCC(C)(F)F	218484511	573117812	/nfs/dbraw/zinc/11/78/12/573117812.db2.gz	RNHKFIXPFAJHQG-QMMMGPOBSA-N	1	0	195.253	2.046	10	70		AEIERO
CC[C@@H](CSC)[NH2+]CCSC	217330164	573281576	/nfs/dbraw/zinc/28/15/76/573281576.db2.gz	VBQOGSKEBANGGA-QMMMGPOBSA-N	1	0	193.381	2.081	10	70		AEIERO
C1=C[C@H](OCC[C@H]2CC[NH2+]C2)CCC1	159486213	573436521	/nfs/dbraw/zinc/43/65/21/573436521.db2.gz	CQIYYFJDDBTYLD-NEPJUHHUSA-N	1	0	195.306	2.111	10	70		AEIERO
C1=C[C@@H](OCC[C@@H]2CC[NH2+]C2)CCC1	159486071	573440357	/nfs/dbraw/zinc/44/03/57/573440357.db2.gz	CQIYYFJDDBTYLD-NWDGAFQWSA-N	1	0	195.306	2.111	10	70		AEIERO
CCC[C@@H](C[NH2+]CC)N1CCCCC1	216711799	571954328	/nfs/dbraw/zinc/95/43/28/571954328.db2.gz	XFZOBIXKMSZACV-LBPRGKRZSA-N	1	0	198.354	2.251	10	70		AEIERO
CC(C)(C)CCOCC[C@H]1CC[NH2+]C1	159479929	573410784	/nfs/dbraw/zinc/41/07/84/573410784.db2.gz	ARXLOOFWHSGZJL-LLVKDONJSA-N	1	0	199.338	2.439	10	70		AEIERO
CC[C@H](O)[C@H](C)[N@@H+](CC)[C@H](C)CC	216909558	573627292	/nfs/dbraw/zinc/62/72/92/573627292.db2.gz	UTXVKXVWFFQTNK-VWYCJHECSA-N	1	0	187.327	2.266	10	70		AEIERO
CC[C@H](O)[C@@H](C)[N@@H+]1CCC[C@@H](CC)C1	216928036	573825525	/nfs/dbraw/zinc/82/55/25/573825525.db2.gz	OEOHNWICSVHUMR-UTUOFQBUSA-N	1	0	199.338	2.268	10	70		AEIERO
CC[C@@H]1CCC[N@@H+]([C@H](C)[C@H](O)CC)C1	216928016	573830197	/nfs/dbraw/zinc/83/01/97/573830197.db2.gz	OEOHNWICSVHUMR-IJLUTSLNSA-N	1	0	199.338	2.268	10	70		AEIERO
CC[C@H](O)[C@H](C)[N@@H+]1CCC[C@@H](CC)C1	216928065	573834978	/nfs/dbraw/zinc/83/49/78/573834978.db2.gz	OEOHNWICSVHUMR-TUAOUCFPSA-N	1	0	199.338	2.268	10	70		AEIERO
CCC(CC)OCC[C@@H]1CC[NH2+]C1	159501715	574012321	/nfs/dbraw/zinc/01/23/21/574012321.db2.gz	TYGLNLBODNOMID-JTQLQIEISA-N	1	0	185.311	2.191	10	70		AEIERO
CCC(CC)[N@@H+](C)[C@H](C)[C@@H](O)CC	216930470	574016428	/nfs/dbraw/zinc/01/64/28/574016428.db2.gz	BDTPUILGAYJRDD-KOLCDFICSA-N	1	0	187.327	2.266	10	70		AEIERO
CCC(CC)[N@@H+](C)[C@@H](C)[C@@H](O)CC	216930497	574016624	/nfs/dbraw/zinc/01/66/24/574016624.db2.gz	BDTPUILGAYJRDD-ONGXEEELSA-N	1	0	187.327	2.266	10	70		AEIERO
CC[NH2+]C[C@@H](COCC)C1CCCC1	160777091	571687224	/nfs/dbraw/zinc/68/72/24/571687224.db2.gz	APRAPEUEYIQXSP-LBPRGKRZSA-N	1	0	199.338	2.439	10	70		AEIERO
CCCCC[C@H]([NH3+])C[C@H]1CCOC1	160853583	571855081	/nfs/dbraw/zinc/85/50/81/571855081.db2.gz	UUMZGMQDPKOWPQ-MNOVXSKESA-N	1	0	185.311	2.321	10	70		AEIERO
CCC(CC)[C@H]([NH3+])C[C@@H]1CCOC1	160869881	571891494	/nfs/dbraw/zinc/89/14/94/571891494.db2.gz	UTUJDLYYFIFQLF-GXSJLCMTSA-N	1	0	185.311	2.177	10	70		AEIERO
C[NH2+][C@@H](C)[C@@H](C)N(CC1CC1)C(C)C	216731768	571933168	/nfs/dbraw/zinc/93/31/68/571933168.db2.gz	VSAGHMIGUNOSSY-WDEREUQCSA-N	1	0	198.354	2.103	10	70		AEIERO
C[NH2+][C@@H](C)[C@H](C)N(CC1CC1)C(C)C	216731808	571935195	/nfs/dbraw/zinc/93/51/95/571935195.db2.gz	VSAGHMIGUNOSSY-QWRGUYRKSA-N	1	0	198.354	2.103	10	70		AEIERO
CCCN(CCC)[C@@H]1C[NH2+]C[C@@H]1CC	160941926	571943901	/nfs/dbraw/zinc/94/39/01/571943901.db2.gz	VOIFRSWVHJINRQ-NWDGAFQWSA-N	1	0	198.354	2.106	10	70		AEIERO
CCCCN(C)[C@H](CCC)C[NH2+]C	216711322	571946907	/nfs/dbraw/zinc/94/69/07/571946907.db2.gz	SIHZNTUTNOHYPG-LLVKDONJSA-N	1	0	186.343	2.106	10	70		AEIERO
CCC[C@H](C[NH2+]C)N(CC)CCC	216713161	571954167	/nfs/dbraw/zinc/95/41/67/571954167.db2.gz	SOEZHXBMXYWDPY-LLVKDONJSA-N	1	0	186.343	2.106	10	70		AEIERO
CS[C@H](C)CCN1CCCC1=[NH2+]	217322134	571954595	/nfs/dbraw/zinc/95/45/95/571954595.db2.gz	JYUSLAJGINIFQI-MRVPVSSYSA-N	1	0	186.324	2.201	10	70		AEIERO
C[NH2+][C@@H](C)CN(C)[C@@H]1CCCC[C@@H]1C	216736789	571954763	/nfs/dbraw/zinc/95/47/63/571954763.db2.gz	FQMUUGAPUXGUQJ-SDDRHHMPSA-N	1	0	198.354	2.105	10	70		AEIERO
CCC[C@H](C[NH2+]CC)N1CCCCC1	216711843	571954841	/nfs/dbraw/zinc/95/48/41/571954841.db2.gz	XFZOBIXKMSZACV-GFCCVEGCSA-N	1	0	198.354	2.251	10	70		AEIERO
CS[C@@H](C)CCN1CCCC1=[NH2+]	217322131	571955044	/nfs/dbraw/zinc/95/50/44/571955044.db2.gz	JYUSLAJGINIFQI-QMMMGPOBSA-N	1	0	186.324	2.201	10	70		AEIERO
C[NH2+][C@@H](C[C@H]1CCOC1)C(C)(C)C	160873909	571957205	/nfs/dbraw/zinc/95/72/05/571957205.db2.gz	AKKSWSRXHNCRSH-ZJUUUORDSA-N	1	0	185.311	2.047	10	70		AEIERO
C/C=C\COCCCCCC[NH2+]C	217133447	571960129	/nfs/dbraw/zinc/96/01/29/571960129.db2.gz	SCXHKKVOONSWSC-ARJAWSKDSA-N	1	0	185.311	2.359	10	70		AEIERO
C[NH2+][C@@H](C)CO[C@@H]1CCCC[C@@H]1C	216830777	571999093	/nfs/dbraw/zinc/99/90/93/571999093.db2.gz	DKYKWVOQORGHBO-GARJFASQSA-N	1	0	185.311	2.190	10	70		AEIERO
C[NH2+][C@@H](C)CO[C@H]1CCCC[C@@H]1C	216830816	572000017	/nfs/dbraw/zinc/00/00/17/572000017.db2.gz	DKYKWVOQORGHBO-DCAQKATOSA-N	1	0	185.311	2.190	10	70		AEIERO
CCCC1CC[NH+](C[C@@H](C)CO)CC1	160963491	572009133	/nfs/dbraw/zinc/00/91/33/572009133.db2.gz	UJFZWBCAAASVAL-LLVKDONJSA-N	1	0	199.338	2.127	10	70		AEIERO
CS[C@H](C)CCNC(=[NH2+])C1CC1	217324436	572040815	/nfs/dbraw/zinc/04/08/15/572040815.db2.gz	JDDGDPGUCORDQH-SSDOTTSWSA-N	1	0	186.324	2.105	10	70		AEIERO
CS[C@@H](C)CCNC(=[NH2+])C1CC1	217324434	572040829	/nfs/dbraw/zinc/04/08/29/572040829.db2.gz	JDDGDPGUCORDQH-ZETCQYMHSA-N	1	0	186.324	2.105	10	70		AEIERO
CS[C@@H](C)CCNC(=[NH2+])C(C)C	217324442	572042999	/nfs/dbraw/zinc/04/29/99/572042999.db2.gz	LDPFBSGVQAMQOF-QMMMGPOBSA-N	1	0	188.340	2.351	10	70		AEIERO
CS[C@H](C)CCNC(=[NH2+])C(C)C	217324444	572043643	/nfs/dbraw/zinc/04/36/43/572043643.db2.gz	LDPFBSGVQAMQOF-MRVPVSSYSA-N	1	0	188.340	2.351	10	70		AEIERO
CCC(=[NH2+])NCC[C@H](C)SC	217324448	572043934	/nfs/dbraw/zinc/04/39/34/572043934.db2.gz	UDDOFXJTDSJZLS-ZETCQYMHSA-N	1	0	174.313	2.105	10	70		AEIERO
CCC(=[NH2+])NCC[C@@H](C)SC	217324447	572044397	/nfs/dbraw/zinc/04/43/97/572044397.db2.gz	UDDOFXJTDSJZLS-SSDOTTSWSA-N	1	0	174.313	2.105	10	70		AEIERO
CCCC(=[NH2+])NCC[C@H](C)SC	217324452	572044963	/nfs/dbraw/zinc/04/49/63/572044963.db2.gz	FLASLDBRUYTBKJ-QMMMGPOBSA-N	1	0	188.340	2.495	10	70		AEIERO
CCCCCC[C@]1(O)CCC[NH2+]CC1	160706660	572053932	/nfs/dbraw/zinc/05/39/32/572053932.db2.gz	UHJPROSFLXNJAL-LBPRGKRZSA-N	1	0	199.338	2.461	10	70		AEIERO
CCC[C@H](C)C[C@@]1(O)CCC[NH2+]CC1	160707339	572059122	/nfs/dbraw/zinc/05/91/22/572059122.db2.gz	PWWSPYNFHCJPFM-NWDGAFQWSA-N	1	0	199.338	2.317	10	70		AEIERO
CCCCCC[C@@]1(O)CCC[NH2+]CC1	160706796	572060076	/nfs/dbraw/zinc/06/00/76/572060076.db2.gz	UHJPROSFLXNJAL-GFCCVEGCSA-N	1	0	199.338	2.461	10	70		AEIERO
CCC[C@H](C[NH2+]C)N(CCC)C1CC1	216759562	572077819	/nfs/dbraw/zinc/07/78/19/572077819.db2.gz	DSMMPXCFMOFLNX-GFCCVEGCSA-N	1	0	198.354	2.249	10	70		AEIERO
CC[C@@H](CSC)[NH2+]Cc1ccc[nH]1	217328508	572115087	/nfs/dbraw/zinc/11/50/87/572115087.db2.gz	UPRXBSOLTMAALZ-VIFPVBQESA-N	1	0	198.335	2.246	10	70		AEIERO
CC[C@H](CSC)[NH2+]Cc1ccc[nH]1	217328510	572116718	/nfs/dbraw/zinc/11/67/18/572116718.db2.gz	UPRXBSOLTMAALZ-SECBINFHSA-N	1	0	198.335	2.246	10	70		AEIERO
CCC[C@@H](C[NH2+]C(C)(C)C)COC	160745161	572202318	/nfs/dbraw/zinc/20/23/18/572202318.db2.gz	QMERKSHGHVDCMQ-JTQLQIEISA-N	1	0	187.327	2.437	10	70		AEIERO
CCOC[C@@H](CC)C[NH2+]CC(C)C	160747477	572204581	/nfs/dbraw/zinc/20/45/81/572204581.db2.gz	TWWSYYQUTIGPEH-NSHDSACASA-N	1	0	187.327	2.295	10	70		AEIERO
CCC[NH2+]C[C@@](C)(CCC)COC	160753149	572206277	/nfs/dbraw/zinc/20/62/77/572206277.db2.gz	XMIMAQCFXSGJMC-LLVKDONJSA-N	1	0	187.327	2.439	10	70		AEIERO
COC[C@](C)(C[NH2+]C(C)(C)C)C1CC1	160774756	572251594	/nfs/dbraw/zinc/25/15/94/572251594.db2.gz	KLKGWLFVOJJYGX-LBPRGKRZSA-N	1	0	199.338	2.437	10	70		AEIERO
CCC[N@H+](C(C)C)[C@H](C)[C@@H](O)CC	216900084	572961784	/nfs/dbraw/zinc/96/17/84/572961784.db2.gz	GPFMMYQVJLJPLB-MNOVXSKESA-N	1	0	187.327	2.266	10	70		AEIERO
C[NH2+]C[C@@H](C)O[C@@H]1CCC[C@@H](C)C1	216898167	572962715	/nfs/dbraw/zinc/96/27/15/572962715.db2.gz	QQCJQPKEEQGVNX-GMTAPVOTSA-N	1	0	185.311	2.190	10	70		AEIERO
C[NH2+]C[C@@H](C)O[C@H]1CCC[C@@H](C)C1	216898206	572962981	/nfs/dbraw/zinc/96/29/81/572962981.db2.gz	QQCJQPKEEQGVNX-MXWKQRLJSA-N	1	0	185.311	2.190	10	70		AEIERO
CCC[N@H+](C)[C@@H]1C[C@@H](CC)CC[C@@H]1O	216901210	573025939	/nfs/dbraw/zinc/02/59/39/573025939.db2.gz	DALBOSDZUYPOAC-TUAOUCFPSA-N	1	0	199.338	2.268	10	70		AEIERO
CCC(CC)OCC[C@H]1CC[NH2+]C1	159501861	573085169	/nfs/dbraw/zinc/08/51/69/573085169.db2.gz	TYGLNLBODNOMID-SNVBAGLBSA-N	1	0	185.311	2.191	10	70		AEIERO
CCCCC/C=C(\C)C[NH3+]	218598224	573121094	/nfs/dbraw/zinc/12/10/94/573121094.db2.gz	VOHJYRAEKRPDHL-VQHVLOKHSA-N	1	0	141.258	2.472	10	70		AEIERO
CCC[C@H](C)COCC[C@@H]1CC[NH2+]C1	159502727	573206836	/nfs/dbraw/zinc/20/68/36/573206836.db2.gz	LJNXRJVYHOAWGX-RYUDHWBXSA-N	1	0	199.338	2.439	10	70		AEIERO
CCC[C@@H](C)COCC[C@H]1CC[NH2+]C1	159502864	573213918	/nfs/dbraw/zinc/21/39/18/573213918.db2.gz	LJNXRJVYHOAWGX-VXGBXAGGSA-N	1	0	199.338	2.439	10	70		AEIERO
C1CCC(OCC[C@@H]2CC[NH2+]C2)CC1	159438823	573264452	/nfs/dbraw/zinc/26/44/52/573264452.db2.gz	VHWWRAONQYNCRC-NSHDSACASA-N	1	0	197.322	2.335	10	70		AEIERO
CC[C@H](C)COCC[C@@H]1CC[NH2+]C1	159441534	573265455	/nfs/dbraw/zinc/26/54/55/573265455.db2.gz	RVRAFVRYVYSHQV-QWRGUYRKSA-N	1	0	185.311	2.049	10	70		AEIERO
C1CCC(OCC[C@H]2CC[NH2+]C2)CC1	159438960	573266108	/nfs/dbraw/zinc/26/61/08/573266108.db2.gz	VHWWRAONQYNCRC-LLVKDONJSA-N	1	0	197.322	2.335	10	70		AEIERO
CC[C@@H](C)COCC[C@@H]1CC[NH2+]C1	159441418	573266930	/nfs/dbraw/zinc/26/69/30/573266930.db2.gz	RVRAFVRYVYSHQV-MNOVXSKESA-N	1	0	185.311	2.049	10	70		AEIERO
CC[C@@H](C)COCC[C@H]1CC[NH2+]C1	159441645	573292247	/nfs/dbraw/zinc/29/22/47/573292247.db2.gz	RVRAFVRYVYSHQV-GHMZBOCLSA-N	1	0	185.311	2.049	10	70		AEIERO
CC[C@H](CSC)[NH2+]CCCF	217330627	573292281	/nfs/dbraw/zinc/29/22/81/573292281.db2.gz	ROJSIPJCWXZCCJ-MRVPVSSYSA-N	1	0	179.304	2.077	10	70		AEIERO
CC[C@H](C)COCC[C@H]1CC[NH2+]C1	159441745	573292339	/nfs/dbraw/zinc/29/23/39/573292339.db2.gz	RVRAFVRYVYSHQV-WDEREUQCSA-N	1	0	185.311	2.049	10	70		AEIERO
CCC(CC)COCC[C@H]1CC[NH2+]C1	159464966	573371946	/nfs/dbraw/zinc/37/19/46/573371946.db2.gz	DKZXTQBBTNUQEG-GFCCVEGCSA-N	1	0	199.338	2.439	10	70		AEIERO
C1CCC(COCC[C@@H]2CC[NH2+]C2)C1	159463483	573372112	/nfs/dbraw/zinc/37/21/12/573372112.db2.gz	CKDJBBXSQAMLCG-NSHDSACASA-N	1	0	197.322	2.193	10	70		AEIERO
CC(C)(C)CCOCC[C@@H]1CC[NH2+]C1	159479788	573405406	/nfs/dbraw/zinc/40/54/06/573405406.db2.gz	ARXLOOFWHSGZJL-NSHDSACASA-N	1	0	199.338	2.439	10	70		AEIERO
C1=C[C@@H](OCC[C@H]2CC[NH2+]C2)CCC1	159486340	573436136	/nfs/dbraw/zinc/43/61/36/573436136.db2.gz	CQIYYFJDDBTYLD-VXGBXAGGSA-N	1	0	195.306	2.111	10	70		AEIERO
C1=C[C@H](OCC[C@@H]2CC[NH2+]C2)CCC1	159485931	573437886	/nfs/dbraw/zinc/43/78/86/573437886.db2.gz	CQIYYFJDDBTYLD-RYUDHWBXSA-N	1	0	195.306	2.111	10	70		AEIERO
CC[N@H+](C1CC1)[C@H]1C[C@@H](C)CC[C@@H]1O	216902763	573455568	/nfs/dbraw/zinc/45/55/68/573455568.db2.gz	XIQKTGBBRARQGL-DLOVCJGASA-N	1	0	197.322	2.020	10	70		AEIERO
COC[C@@H](C)C[NH2+][C@@H]1CCC[C@@H](C)C1	217374316	573577866	/nfs/dbraw/zinc/57/78/66/573577866.db2.gz	VRCWIJALZSVXFE-GRYCIOLGSA-N	1	0	199.338	2.437	10	70		AEIERO
COC[C@@H](C)C[NH2+][C@H]1CCCC[C@@H]1C	217374200	573579370	/nfs/dbraw/zinc/57/93/70/573579370.db2.gz	RHOBERRMNBPDJD-SRVKXCTJSA-N	1	0	199.338	2.437	10	70		AEIERO
CC[C@@H](CSC)N1CCCC1=[NH2+]	217375444	573595657	/nfs/dbraw/zinc/59/56/57/573595657.db2.gz	MXPZWXNHTVVWKS-QMMMGPOBSA-N	1	0	186.324	2.201	10	70		AEIERO
CC[C@H](CSC)N1CCCC1=[NH2+]	217375523	573596449	/nfs/dbraw/zinc/59/64/49/573596449.db2.gz	MXPZWXNHTVVWKS-MRVPVSSYSA-N	1	0	186.324	2.201	10	70		AEIERO
CC[C@H](O)[C@@H](C)[N@@H+]1CCCC[C@@H]1CC	216905979	573606503	/nfs/dbraw/zinc/60/65/03/573606503.db2.gz	BJTUDVFACAFDMW-WOPDTQHZSA-N	1	0	199.338	2.410	10	70		AEIERO
CC[C@H](O)[C@H](C)[N@@H+]1CCCC[C@@H]1CC	216906015	573603560	/nfs/dbraw/zinc/60/35/60/573603560.db2.gz	BJTUDVFACAFDMW-SRVKXCTJSA-N	1	0	199.338	2.410	10	70		AEIERO
CCC[N@H+](CC)[C@@H]1C[C@@H](C)CC[C@@H]1O	216911023	573639368	/nfs/dbraw/zinc/63/93/68/573639368.db2.gz	RRQWLAAGSIXGJC-TUAOUCFPSA-N	1	0	199.338	2.268	10	70		AEIERO
CC(C)CCCOCC[C@H]1CC[NH2+]C1	159493644	573675299	/nfs/dbraw/zinc/67/52/99/573675299.db2.gz	QNGQOBHVYQBVRT-GFCCVEGCSA-N	1	0	199.338	2.439	10	70		AEIERO
CC(C)CCCOCC[C@@H]1CC[NH2+]C1	159493539	573673354	/nfs/dbraw/zinc/67/33/54/573673354.db2.gz	QNGQOBHVYQBVRT-LBPRGKRZSA-N	1	0	199.338	2.439	10	70		AEIERO
Cc1nc(C)c(C[NH2+]CC(C)C)o1	159421300	486973946	/nfs/dbraw/zinc/97/39/46/486973946.db2.gz	YRCWRDVBUNGCTR-UHFFFAOYSA-N	1	0	182.267	2.037	10	70		AEIERO
Cc1cccnc1CC[NH2+]CC(C)C	159890461	486974971	/nfs/dbraw/zinc/97/49/71/486974971.db2.gz	XYTHQCWTEQPUJA-UHFFFAOYSA-N	1	0	192.306	2.178	10	70		AEIERO
CCCC[NH2+]Cc1ccncc1C	160597963	486976536	/nfs/dbraw/zinc/97/65/36/486976536.db2.gz	APNCNNXJIRMNED-UHFFFAOYSA-N	1	0	178.279	2.280	10	70		AEIERO
COCC1(C[NH2+]C(C)(C)C)CCC1	160762019	486977501	/nfs/dbraw/zinc/97/75/01/486977501.db2.gz	DBTUDUUQUJPKDV-UHFFFAOYSA-N	1	0	185.311	2.191	10	70		AEIERO
CNCC[NH2+]CCCC1CCCCC1	161271624	486979411	/nfs/dbraw/zinc/97/94/11/486979411.db2.gz	ULYMOBVGEDOZNE-UHFFFAOYSA-N	1	0	198.354	2.156	10	70		AEIERO
CCNCC[NH2+]CC1CCC(C)CC1	161299103	486979969	/nfs/dbraw/zinc/97/99/69/486979969.db2.gz	FHKYVHXQZGUWEM-UHFFFAOYSA-N	1	0	198.354	2.012	10	70		AEIERO
C[C@H](C1CC1)[N@H+](C)C[C@@H](O)C(C)(C)C	216925273	490067458	/nfs/dbraw/zinc/06/74/58/490067458.db2.gz	UJNSNKFZZFWLFU-MWLCHTKSSA-N	1	0	199.338	2.124	10	70		AEIERO
C[C@@H](C1CC1)[N@H+](C)C[C@@H](O)C(C)(C)C	216925251	490067493	/nfs/dbraw/zinc/06/74/93/490067493.db2.gz	UJNSNKFZZFWLFU-GXSJLCMTSA-N	1	0	199.338	2.124	10	70		AEIERO
C[C@H](O)CCC[N@@H+]1CCC[C@@H](C)CC1	216830099	490067525	/nfs/dbraw/zinc/06/75/25/490067525.db2.gz	LAIAQQHNRUDOCC-NEPJUHHUSA-N	1	0	199.338	2.269	10	70		AEIERO
C[C@H](O)CC[N@H+](C)[C@@H]1CCCC[C@@H]1C	216969239	490067588	/nfs/dbraw/zinc/06/75/88/490067588.db2.gz	HSVPJIBKGQEDGN-SDDRHHMPSA-N	1	0	199.338	2.268	10	70		AEIERO
CC(C)C[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1	217658809	490068020	/nfs/dbraw/zinc/06/80/20/490068020.db2.gz	WSORAZJYSNHYHK-QJPTWQEYSA-N	1	0	199.338	2.314	10	70		AEIERO
CC(C)C[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1	217658983	490068052	/nfs/dbraw/zinc/06/80/52/490068052.db2.gz	WSORAZJYSNHYHK-SDDRHHMPSA-N	1	0	199.338	2.314	10	70		AEIERO
CCC[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1	217653115	490068068	/nfs/dbraw/zinc/06/80/68/490068068.db2.gz	CJOONEKVSLSSHU-GARJFASQSA-N	1	0	185.311	2.068	10	70		AEIERO
CCC[C@H](C)C[NH2+][C@@H]1CCC[C@@H](O)C1	217616410	490068074	/nfs/dbraw/zinc/06/80/74/490068074.db2.gz	GVBHXAZYZCWTSO-QJPTWQEYSA-N	1	0	199.338	2.316	10	70		AEIERO
CCC[C@H](C)C[NH2+][C@H]1CCC[C@@H](O)C1	217616560	490068082	/nfs/dbraw/zinc/06/80/82/490068082.db2.gz	GVBHXAZYZCWTSO-SDDRHHMPSA-N	1	0	199.338	2.316	10	70		AEIERO
CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1	217620399	490068088	/nfs/dbraw/zinc/06/80/88/490068088.db2.gz	IFOAVUNGMRYSIA-NNYUYHANSA-N	1	0	199.338	2.314	10	70		AEIERO
CCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1	217652928	490068094	/nfs/dbraw/zinc/06/80/94/490068094.db2.gz	CJOONEKVSLSSHU-HBNTYKKESA-N	1	0	185.311	2.068	10	70		AEIERO
CCC[C@@H]1C[C@H]1[NH2+]CC(C)C	218119480	490069242	/nfs/dbraw/zinc/06/92/42/490069242.db2.gz	XYHJULCORNWOIO-NXEZZACHSA-N	1	0	155.285	2.421	10	70		AEIERO
CCC[C@@H](C)[NH+]1CCC([C@@H](C)O)CC1	218586759	490069956	/nfs/dbraw/zinc/06/99/56/490069956.db2.gz	WLVANXRDQJCWDF-GHMZBOCLSA-N	1	0	199.338	2.268	10	70		AEIERO
CCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1	218299029	490070011	/nfs/dbraw/zinc/07/00/11/490070011.db2.gz	LWNLEAQWYCLTIA-SDDRHHMPSA-N	1	0	199.338	2.458	10	70		AEIERO
CCC[C@H](C)[N@@H+]1CCC[C@@H](CCO)C1	218589461	490070017	/nfs/dbraw/zinc/07/00/17/490070017.db2.gz	CYMSXUKXUTXAMX-RYUDHWBXSA-N	1	0	199.338	2.269	10	70		AEIERO
CCC[C@H](C)[NH+]1CCC([C@@H](C)O)CC1	218586837	490070091	/nfs/dbraw/zinc/07/00/91/490070091.db2.gz	WLVANXRDQJCWDF-WDEREUQCSA-N	1	0	199.338	2.268	10	70		AEIERO
CCC[C@H](C)[NH+]1CCC([C@H](C)O)CC1	218586985	490070131	/nfs/dbraw/zinc/07/01/31/490070131.db2.gz	WLVANXRDQJCWDF-QWRGUYRKSA-N	1	0	199.338	2.268	10	70		AEIERO
CCC[C@@H](C)[NH+]1CCC([C@H](C)O)CC1	218586905	490070141	/nfs/dbraw/zinc/07/01/41/490070141.db2.gz	WLVANXRDQJCWDF-MNOVXSKESA-N	1	0	199.338	2.268	10	70		AEIERO
CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C(C)C	218299266	490070164	/nfs/dbraw/zinc/07/01/64/490070164.db2.gz	GAIJRMSXLMRLDW-TUAOUCFPSA-N	1	0	199.338	2.314	10	70		AEIERO
CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C(C)C	218299166	490070179	/nfs/dbraw/zinc/07/01/79/490070179.db2.gz	GAIJRMSXLMRLDW-UTUOFQBUSA-N	1	0	199.338	2.314	10	70		AEIERO
CCC[C@@H](C)[N@@H+]1CCC[C@@H](CCO)C1	218589392	490070243	/nfs/dbraw/zinc/07/02/43/490070243.db2.gz	CYMSXUKXUTXAMX-NEPJUHHUSA-N	1	0	199.338	2.269	10	70		AEIERO
CCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1	218298951	490070252	/nfs/dbraw/zinc/07/02/52/490070252.db2.gz	LWNLEAQWYCLTIA-QJPTWQEYSA-N	1	0	199.338	2.458	10	70		AEIERO
CCCC[NH2+]Cc1oc(C)nc1C	159421587	344144562	/nfs/dbraw/zinc/14/45/62/344144562.db2.gz	YFDOLZGGCXMUNP-UHFFFAOYSA-N	1	0	182.267	2.181	10	70		AEIERO
CC[C@H](C)[NH2+]Cc1oc(C)nc1C	159425320	344144617	/nfs/dbraw/zinc/14/46/17/344144617.db2.gz	CFTJFHMMTAOVBG-ZETCQYMHSA-N	1	0	182.267	2.180	10	70		AEIERO
CCNC(=[NH2+])C1(OC)CCC(C)CC1	160931730	344180783	/nfs/dbraw/zinc/18/07/83/344180783.db2.gz	FVOPPHMWNZQLKD-UHFFFAOYSA-N	1	0	198.310	2.168	10	70		AEIERO
CC[C@@H]1CCSC(NC(C)C)=[NH+]1	218007009	344408885	/nfs/dbraw/zinc/40/88/85/344408885.db2.gz	URXYOSKCHHAIGL-MRVPVSSYSA-N	1	0	186.324	2.256	10	70		AEIERO
CC[C@H]1CCSC(NC2CC2)=[NH+]1	218008935	344408929	/nfs/dbraw/zinc/40/89/29/344408929.db2.gz	GSESBHXAHZMYLN-ZETCQYMHSA-N	1	0	184.308	2.010	10	70		AEIERO
CC[C@@H]1CCSC(N[C@H]2C[C@@H]2C)=[NH+]1	218072281	344409905	/nfs/dbraw/zinc/40/99/05/344409905.db2.gz	SATSUCKNLPPOFC-YIZRAAEISA-N	1	0	198.335	2.256	10	70		AEIERO
CC[C@@H](C)[NH2+]Cc1oc(C)nc1C	159425175	344144589	/nfs/dbraw/zinc/14/45/89/344144589.db2.gz	CFTJFHMMTAOVBG-SSDOTTSWSA-N	1	0	182.267	2.180	10	70		AEIERO
Cc1[nH]c(N)[nH+]c1-c1ccccc1F	160413045	344165254	/nfs/dbraw/zinc/16/52/54/344165254.db2.gz	JDAWCEFMZFDTLX-UHFFFAOYSA-N	1	0	191.209	2.106	10	70		AEIERO
Cc1occc1C(=[NH2+])N1CCCCC1	160447592	344166245	/nfs/dbraw/zinc/16/62/45/344166245.db2.gz	SCQPWRHDBCZCCV-UHFFFAOYSA-N	1	0	192.262	2.399	10	70		AEIERO
Cc1occc1C(=[NH2+])NC(C)(C)C	160446769	344166458	/nfs/dbraw/zinc/16/64/58/344166458.db2.gz	CCPUXHKWMUPOOO-UHFFFAOYSA-N	1	0	180.251	2.301	10	70		AEIERO
c1ccc2c3c(c[nH+]c2c1)NCCN3	160455585	344166821	/nfs/dbraw/zinc/16/68/21/344166821.db2.gz	KQRWECIRZKMQDA-UHFFFAOYSA-N	1	0	185.230	2.072	10	70		AEIERO
CNC1=[NH+]CC2(CCCCC2)CS1	160459969	344166987	/nfs/dbraw/zinc/16/69/87/344166987.db2.gz	FRIBALOSTMVMPL-UHFFFAOYSA-N	1	0	198.335	2.259	10	70		AEIERO
COC1(C(=[NH2+])NC2CC2)CCCCC1	160941979	344181032	/nfs/dbraw/zinc/18/10/32/344181032.db2.gz	DXJHQWYQIAGNRP-UHFFFAOYSA-N	1	0	196.294	2.065	10	70		AEIERO
CO[C@]1(C(=[NH2+])N(C)C)CCC[C@H](C)C1	160952996	344181683	/nfs/dbraw/zinc/18/16/83/344181683.db2.gz	VEWHEFPBFPRLDR-GXSJLCMTSA-N	1	0	198.310	2.121	10	70		AEIERO
CO[C@]1(C(=[NH2+])N(C)C)CCC[C@@H](C)C1	160952823	344181815	/nfs/dbraw/zinc/18/18/15/344181815.db2.gz	VEWHEFPBFPRLDR-MWLCHTKSSA-N	1	0	198.310	2.121	10	70		AEIERO
COC1(C(=[NH2+])N(C)C)CCC(C)CC1	160955112	344181837	/nfs/dbraw/zinc/18/18/37/344181837.db2.gz	PGJCRRQBMZLYNM-UHFFFAOYSA-N	1	0	198.310	2.121	10	70		AEIERO
NC(=[NH2+])CC(F)(F)c1ccccc1	161179671	344186747	/nfs/dbraw/zinc/18/67/47/344186747.db2.gz	TVMBCXIBJANHQT-UHFFFAOYSA-N	1	0	184.189	2.104	10	70		AEIERO
Cc1ccoc1C(=[NH2+])N1CCCC1	161324373	344189309	/nfs/dbraw/zinc/18/93/09/344189309.db2.gz	NOWBZIBEFKLIGT-UHFFFAOYSA-N	1	0	178.235	2.009	10	70		AEIERO
Nc1[nH]c2c([nH+]1)CC1(CCCC1)CC2	161506037	344192520	/nfs/dbraw/zinc/19/25/20/344192520.db2.gz	CGXKMYRLEAYGJZ-UHFFFAOYSA-N	1	0	191.278	2.041	10	70		AEIERO
C[C@H]1CC[C@H]([NH+]2CCCC2)C1	217399083	344401144	/nfs/dbraw/zinc/40/11/44/344401144.db2.gz	QLAHZULAYAYUKZ-UWVGGRQHSA-N	1	0	153.269	2.271	10	70		AEIERO
C[C@@H]1CC[C@@H]([NH+]2CCCC2)C1	217399155	344401316	/nfs/dbraw/zinc/40/13/16/344401316.db2.gz	QLAHZULAYAYUKZ-NXEZZACHSA-N	1	0	153.269	2.271	10	70		AEIERO
C[C@H]1CC[C@@H]([NH+]2CCCC2)C1	217399216	344401319	/nfs/dbraw/zinc/40/13/19/344401319.db2.gz	QLAHZULAYAYUKZ-VHSXEESVSA-N	1	0	153.269	2.271	10	70		AEIERO
C[C@@H]1CC[C@H]([NH+]2CCCC2)C1	217399006	344401344	/nfs/dbraw/zinc/40/13/44/344401344.db2.gz	QLAHZULAYAYUKZ-ZJUUUORDSA-N	1	0	153.269	2.271	10	70		AEIERO
CCC[N@@H+]1CCC[C@@](C)(F)C1	217530374	344402852	/nfs/dbraw/zinc/40/28/52/344402852.db2.gz	JDCWVSKQJLBFIP-SECBINFHSA-N	1	0	159.248	2.220	10	70		AEIERO
CCC[N@@H+]1CCC[C@](C)(F)C1	217530435	344402895	/nfs/dbraw/zinc/40/28/95/344402895.db2.gz	JDCWVSKQJLBFIP-VIFPVBQESA-N	1	0	159.248	2.220	10	70		AEIERO
CC[C@H]1CCSC(NC(C)C)=[NH+]1	218007101	344408816	/nfs/dbraw/zinc/40/88/16/344408816.db2.gz	URXYOSKCHHAIGL-QMMMGPOBSA-N	1	0	186.324	2.256	10	70		AEIERO
CC[C@@H]1CCSC(NC2CC2)=[NH+]1	218008863	344408911	/nfs/dbraw/zinc/40/89/11/344408911.db2.gz	GSESBHXAHZMYLN-SSDOTTSWSA-N	1	0	184.308	2.010	10	70		AEIERO
CC[C@@H]1CCSC(N[C@@H]2C[C@@H]2C)=[NH+]1	218072104	344409293	/nfs/dbraw/zinc/40/92/93/344409293.db2.gz	SATSUCKNLPPOFC-DJLDLDEBSA-N	1	0	198.335	2.256	10	70		AEIERO
CCC[C@H]1C[NH+]=C(NC2CCC2)S1	218071445	344409314	/nfs/dbraw/zinc/40/93/14/344409314.db2.gz	HRJYSPGKUJXLDJ-VIFPVBQESA-N	1	0	198.335	2.400	10	70		AEIERO
CCC[C@@H]1C[NH+]=C(NC2CCC2)S1	218071375	344409334	/nfs/dbraw/zinc/40/93/34/344409334.db2.gz	HRJYSPGKUJXLDJ-SECBINFHSA-N	1	0	198.335	2.400	10	70		AEIERO
CC[C@H]1CCSC(NC2CCC2)=[NH+]1	218071648	344409344	/nfs/dbraw/zinc/40/93/44/344409344.db2.gz	MCFWBGLHGLIOCD-QMMMGPOBSA-N	1	0	198.335	2.400	10	70		AEIERO
CC[C@@H]1CCSC(NC2CCC2)=[NH+]1	218071555	344409430	/nfs/dbraw/zinc/40/94/30/344409430.db2.gz	MCFWBGLHGLIOCD-MRVPVSSYSA-N	1	0	198.335	2.400	10	70		AEIERO
CC[C@@H]1CCSC(NC2(C)CC2)=[NH+]1	218130748	344409658	/nfs/dbraw/zinc/40/96/58/344409658.db2.gz	KQFAAKUMEBGSCB-MRVPVSSYSA-N	1	0	198.335	2.400	10	70		AEIERO
CC[C@H]1CCSC(NC2(C)CC2)=[NH+]1	218130822	344409811	/nfs/dbraw/zinc/40/98/11/344409811.db2.gz	KQFAAKUMEBGSCB-QMMMGPOBSA-N	1	0	198.335	2.400	10	70		AEIERO
C[NH+](C)Cc1ccc2[nH]ccc2c1	218337257	344411527	/nfs/dbraw/zinc/41/15/27/344411527.db2.gz	DWLHRRNZBOFOJP-UHFFFAOYSA-N	1	0	174.247	2.230	10	70		AEIERO
CC[C@H](CSC)[NH2+]CCSC	217330166	573276820	/nfs/dbraw/zinc/27/68/20/573276820.db2.gz	VBQOGSKEBANGGA-MRVPVSSYSA-N	1	0	193.381	2.081	10	70		AEIERO
CC[C@@H](CSC)[NH2+]CCCF	217330626	573291632	/nfs/dbraw/zinc/29/16/32/573291632.db2.gz	ROJSIPJCWXZCCJ-QMMMGPOBSA-N	1	0	179.304	2.077	10	70		AEIERO
C1CCC(COCC[C@H]2CC[NH2+]C2)C1	159463622	573361558	/nfs/dbraw/zinc/36/15/58/573361558.db2.gz	CKDJBBXSQAMLCG-LLVKDONJSA-N	1	0	197.322	2.193	10	70		AEIERO
CCC(CC)COCC[C@@H]1CC[NH2+]C1	159464824	573371267	/nfs/dbraw/zinc/37/12/67/573371267.db2.gz	DKZXTQBBTNUQEG-LBPRGKRZSA-N	1	0	199.338	2.439	10	70		AEIERO