smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+](Cc1ccccc1)C(C)C	36438342	537800881	/nfs/dbraw/zinc/80/08/81/537800881.db2.gz	WBNLTJANXNNFNG-UHFFFAOYSA-N	1	0	189.302	3.083	10	30		AGEERO
C=CCCC[NH+](C(C)C)C(C)C	36448094	537802422	/nfs/dbraw/zinc/80/24/22/537802422.db2.gz	CNIVDZVCKNZCNT-UHFFFAOYSA-N	1	0	169.312	3.071	10	30		AGEERO
C=C[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1	157227982	538017368	/nfs/dbraw/zinc/01/73/68/538017368.db2.gz	LRJSBWCWUUYDPI-GRYCIOLGSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1	157228133	538017413	/nfs/dbraw/zinc/01/74/13/538017413.db2.gz	LRJSBWCWUUYDPI-SDDRHHMPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@@H](C)[NH2+]C(CCC)CCC	157228461	538018549	/nfs/dbraw/zinc/01/85/49/538018549.db2.gz	GWTPLFMBQPBICI-SNVBAGLBSA-N	1	0	169.312	3.119	10	30		AGEERO
C=C[C@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1	157227834	538019707	/nfs/dbraw/zinc/01/97/07/538019707.db2.gz	LRJSBWCWUUYDPI-SRVKXCTJSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@H](C)[NH2+]C(CCC)CCC	157228307	538019740	/nfs/dbraw/zinc/01/97/40/538019740.db2.gz	GWTPLFMBQPBICI-JTQLQIEISA-N	1	0	169.312	3.119	10	30		AGEERO
C=C[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1	157227674	538020101	/nfs/dbraw/zinc/02/01/01/538020101.db2.gz	LRJSBWCWUUYDPI-WOPDTQHZSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C(C)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1	160308113	538044641	/nfs/dbraw/zinc/04/46/41/538044641.db2.gz	NPLOZNSGBIULSM-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1	160308332	538044667	/nfs/dbraw/zinc/04/46/67/538044667.db2.gz	NPLOZNSGBIULSM-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1	160308209	538046804	/nfs/dbraw/zinc/04/68/04/538046804.db2.gz	NPLOZNSGBIULSM-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1	160307995	538046869	/nfs/dbraw/zinc/04/68/69/538046869.db2.gz	NPLOZNSGBIULSM-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[NH2+]CC1CCC(C)CC1	160705397	538049151	/nfs/dbraw/zinc/04/91/51/538049151.db2.gz	WAQGLBMMNJVTIT-CPCZMJQVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[NH2+]CC1CCC(C)CC1	160705548	538049799	/nfs/dbraw/zinc/04/97/99/538049799.db2.gz	WAQGLBMMNJVTIT-OTTFEQOBSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+]C[C@@H](C)C(C)(C)C	162839281	538077640	/nfs/dbraw/zinc/07/76/40/538077640.db2.gz	QJPLKNGNRARAGP-LLVKDONJSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CCCC[NH2+]C[C@H](C)C(C)(C)C	162839174	538078473	/nfs/dbraw/zinc/07/84/73/538078473.db2.gz	QJPLKNGNRARAGP-NSHDSACASA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@H]1C	163719242	538136621	/nfs/dbraw/zinc/13/66/21/538136621.db2.gz	CGQQOULHWGMDKL-YVECIDJPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@H]1C	163719349	538137375	/nfs/dbraw/zinc/13/73/75/538137375.db2.gz	CGQQOULHWGMDKL-WUHRBBMRSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@H]1C	164446346	538140436	/nfs/dbraw/zinc/14/04/36/538140436.db2.gz	GMIDVVBWFDGMOY-QNWHQSFQSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@H]1C	164446212	538140780	/nfs/dbraw/zinc/14/07/80/538140780.db2.gz	GMIDVVBWFDGMOY-FVCCEPFGSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]CCCC1CC1	164630897	538147288	/nfs/dbraw/zinc/14/72/88/538147288.db2.gz	UYNSMUWTNJWCRH-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](C)[NH2+]CCCC1CC1	164630792	538147893	/nfs/dbraw/zinc/14/78/93/538147893.db2.gz	UYNSMUWTNJWCRH-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[N@@H+](C)C[C@H](CC)CCCC	168945761	538179992	/nfs/dbraw/zinc/17/99/92/538179992.db2.gz	GVGAKOQFBAKBSC-GFCCVEGCSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[N@@H+](C)C[C@@H](CC)CCCC	168945860	538180281	/nfs/dbraw/zinc/18/02/81/538180281.db2.gz	GVGAKOQFBAKBSC-LBPRGKRZSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[NH+](CC=C)CCCC(C)(C)C	200324091	538183605	/nfs/dbraw/zinc/18/36/05/538183605.db2.gz	CTOHAWYFPJRDSX-UHFFFAOYSA-N	1	0	195.350	3.487	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]CCC1=CCCC1	230669254	538213931	/nfs/dbraw/zinc/21/39/31/538213931.db2.gz	GHXSVIOXYMDFTM-GFCCVEGCSA-N	1	0	193.334	3.431	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]CC1(C)CCC1	230668176	538213978	/nfs/dbraw/zinc/21/39/78/538213978.db2.gz	RAHAXLDNAUMDCW-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](C)[NH2+]CCC1=CCCC1	230669257	538214077	/nfs/dbraw/zinc/21/40/77/538214077.db2.gz	GHXSVIOXYMDFTM-LBPRGKRZSA-N	1	0	193.334	3.431	10	30		AGEERO
C=CCC[C@H](C)[NH2+]CC1(C)CCC1	230668180	538214765	/nfs/dbraw/zinc/21/47/65/538214765.db2.gz	RAHAXLDNAUMDCW-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[NH2+]C[C@H]1CC(C)=C[C@H](C)C1	235388595	538242841	/nfs/dbraw/zinc/24/28/41/538242841.db2.gz	ORNAOHQNBNVRGP-WCQYABFASA-N	1	0	193.334	3.145	10	30		AGEERO
C=C(C)C[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1	235283255	538243201	/nfs/dbraw/zinc/24/32/01/538243201.db2.gz	ORNAOHQNBNVRGP-AAEUAGOBSA-N	1	0	193.334	3.145	10	30		AGEERO
C=C(C)C[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1	235672446	538247757	/nfs/dbraw/zinc/24/77/57/538247757.db2.gz	ORNAOHQNBNVRGP-DGCLKSJQSA-N	1	0	193.334	3.145	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1	235701775	538247879	/nfs/dbraw/zinc/24/78/79/538247879.db2.gz	HSQDZRRWLKZSNY-WXHSDQCUSA-N	1	0	193.334	3.143	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1	235675819	538248122	/nfs/dbraw/zinc/24/81/22/538248122.db2.gz	HSQDZRRWLKZSNY-KGYLQXTDSA-N	1	0	193.334	3.143	10	30		AGEERO
C=C(C)C[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1	235700582	538248307	/nfs/dbraw/zinc/24/83/07/538248307.db2.gz	ORNAOHQNBNVRGP-YPMHNXCESA-N	1	0	193.334	3.145	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1	251856260	538264666	/nfs/dbraw/zinc/26/46/66/538264666.db2.gz	PLDGXVRHOWHFDD-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1	251856261	538264940	/nfs/dbraw/zinc/26/49/40/538264940.db2.gz	PLDGXVRHOWHFDD-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1	252120072	538268351	/nfs/dbraw/zinc/26/83/51/538268351.db2.gz	KRWFMVNMMQYNTC-ITGUQSILSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C	252731479	538277857	/nfs/dbraw/zinc/27/78/57/538277857.db2.gz	QBZLASZSDGCERN-QNWHQSFQSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@@H]1[C@@H](C)CCC[C@H]1C	252731480	538278801	/nfs/dbraw/zinc/27/88/01/538278801.db2.gz	QBZLASZSDGCERN-XQHKEYJVSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CC[C@H](C)C[C@@H]1C	252805964	538280931	/nfs/dbraw/zinc/28/09/31/538280931.db2.gz	GMIDVVBWFDGMOY-ZDEQEGDKSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C	252758121	538281769	/nfs/dbraw/zinc/28/17/69/538281769.db2.gz	CGQQOULHWGMDKL-ZDEQEGDKSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[NH2+][C@H]1CCCC12CCCCC2	306244467	538301238	/nfs/dbraw/zinc/30/12/38/538301238.db2.gz	BAFTWEJNPXAZIG-LBPRGKRZSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CC[NH2+][C@@H]1CCCC12CCCCC2	306244466	538301324	/nfs/dbraw/zinc/30/13/24/538301324.db2.gz	BAFTWEJNPXAZIG-GFCCVEGCSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]1CCC	378696144	538332767	/nfs/dbraw/zinc/33/27/67/538332767.db2.gz	GAEBFBQZNHIPHH-IJLUTSLNSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1CCC	378796951	538335527	/nfs/dbraw/zinc/33/55/27/538335527.db2.gz	QYWYOMZGHQYXJB-YVECIDJPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1CCC	378796950	538335621	/nfs/dbraw/zinc/33/56/21/538335621.db2.gz	QYWYOMZGHQYXJB-UMSGYPCISA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]1CCC	378796949	538335641	/nfs/dbraw/zinc/33/56/41/538335641.db2.gz	QYWYOMZGHQYXJB-FDYHWXHSSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C(C)C[N@@H+](CC)CCCCC	379313065	538337398	/nfs/dbraw/zinc/33/73/98/538337398.db2.gz	DTPYFULQBUPFGM-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=C(CC)C[N@@H+](C)[C@H](C)CCC	379326403	538347029	/nfs/dbraw/zinc/34/70/29/538347029.db2.gz	HTWLTCWJKPXDDT-LLVKDONJSA-N	1	0	169.312	3.073	10	30		AGEERO
C=C(CC)C[N@@H+](C)[C@@H](C)CCC	379326404	538347912	/nfs/dbraw/zinc/34/79/12/538347912.db2.gz	HTWLTCWJKPXDDT-NSHDSACASA-N	1	0	169.312	3.073	10	30		AGEERO
C=C(C)CC[N@@H+](CC)CCCC	379331987	538350961	/nfs/dbraw/zinc/35/09/61/538350961.db2.gz	GARBXADEIVTJIE-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=CCCC[NH2+]Cc1csc(C)c1	379342650	538358321	/nfs/dbraw/zinc/35/83/21/538358321.db2.gz	GESZYQQBYZQDFI-UHFFFAOYSA-N	1	0	195.331	3.112	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1CC1(C)C	379355713	538359416	/nfs/dbraw/zinc/35/94/16/538359416.db2.gz	AXADUZBOHRJMHG-WDEREUQCSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+][C@@H]1CC1(C)C	379355710	538359929	/nfs/dbraw/zinc/35/99/29/538359929.db2.gz	AXADUZBOHRJMHG-GHMZBOCLSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C(C)C[N@@H+](CC)[C@H](C)CC(C)C	379360539	538364627	/nfs/dbraw/zinc/36/46/27/538364627.db2.gz	BDWRKUBWDQXZCK-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(C)C[N@@H+](CC)CC1(C)CCC1	379358087	538364875	/nfs/dbraw/zinc/36/48/75/538364875.db2.gz	UJZHLOVSUIREOM-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(C)C[N@@H+](CC)[C@@H](C)CC(C)C	379360540	538365337	/nfs/dbraw/zinc/36/53/37/538365337.db2.gz	BDWRKUBWDQXZCK-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@H]1CC[C@H]1C	379364145	538365860	/nfs/dbraw/zinc/36/58/60/538365860.db2.gz	LPSCBWLLJFYCOY-WOPDTQHZSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCCC[NH2+][C@@H](C)CC1CCC1	379363476	538366796	/nfs/dbraw/zinc/36/67/96/538366796.db2.gz	GHPAYUJFKPSIBB-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C	379364143	538366819	/nfs/dbraw/zinc/36/68/19/538366819.db2.gz	LPSCBWLLJFYCOY-SDDRHHMPSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@H]1CC[C@@H]1C	379364144	538366992	/nfs/dbraw/zinc/36/69/92/538366992.db2.gz	LPSCBWLLJFYCOY-SRVKXCTJSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCCC[NH2+][C@H](C)CC1CCC1	379363474	538367092	/nfs/dbraw/zinc/36/70/92/538367092.db2.gz	GHPAYUJFKPSIBB-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]1C	379364142	538368375	/nfs/dbraw/zinc/36/83/75/538368375.db2.gz	LPSCBWLLJFYCOY-GRYCIOLGSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCCC[N@@H+](C)C[C@H](C)CCC	379376003	538369768	/nfs/dbraw/zinc/36/97/68/538369768.db2.gz	RKXWJCIATZAVHG-GFCCVEGCSA-N	1	0	183.339	3.321	10	30		AGEERO
C=C(C)C[N@@H+](CC)C[C@H](C)CCC	379376797	538369989	/nfs/dbraw/zinc/36/99/89/538369989.db2.gz	VCZZYEHREJGQLT-GFCCVEGCSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CCCC[N@@H+](C)C[C@@H](C)CCC	379376004	538370068	/nfs/dbraw/zinc/37/00/68/538370068.db2.gz	RKXWJCIATZAVHG-LBPRGKRZSA-N	1	0	183.339	3.321	10	30		AGEERO
C=C(C)C[N@@H+](CC)C[C@@H](C)CCC	379376798	538371831	/nfs/dbraw/zinc/37/18/31/538371831.db2.gz	VCZZYEHREJGQLT-LBPRGKRZSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[N@H+]1CCC[C@H]1CCCCC	379381067	538374823	/nfs/dbraw/zinc/37/48/23/538374823.db2.gz	GEIALYFCBGGZTA-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[N@H+]1CCC[C@@H]1CCCCC	379381068	538375397	/nfs/dbraw/zinc/37/53/97/538375397.db2.gz	GEIALYFCBGGZTA-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCCC[N@@H+](C)CC1CC1	379383491	538378383	/nfs/dbraw/zinc/37/83/83/538378383.db2.gz	GGPUZRREXHILBY-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CCC[C@H]1C	379401219	538391522	/nfs/dbraw/zinc/39/15/22/538391522.db2.gz	KIWLFUNJBLJNHZ-NWDGAFQWSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CCC[C@@H]1C	379401220	538392033	/nfs/dbraw/zinc/39/20/33/538392033.db2.gz	KIWLFUNJBLJNHZ-RYUDHWBXSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CCC[C@H]1C	379401221	538392637	/nfs/dbraw/zinc/39/26/37/538392637.db2.gz	KIWLFUNJBLJNHZ-VXGBXAGGSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H]1C	379401218	538394384	/nfs/dbraw/zinc/39/43/84/538394384.db2.gz	KIWLFUNJBLJNHZ-NEPJUHHUSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(C)CC[N@@H+](C)C1(C)CCCC1	379402710	538398283	/nfs/dbraw/zinc/39/82/83/538398283.db2.gz	NOUOVAUHZVDGIJ-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1CCC(C)C	379411147	538402994	/nfs/dbraw/zinc/40/29/94/538402994.db2.gz	HPCACGORHMAPKS-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1CCC(C)C	379411148	538404039	/nfs/dbraw/zinc/40/40/39/538404039.db2.gz	HPCACGORHMAPKS-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[NH+](CC=C)CC(CC)CC	379409247	538405169	/nfs/dbraw/zinc/40/51/69/538405169.db2.gz	CMHHUBBFCYLTBO-UHFFFAOYSA-N	1	0	181.323	3.097	10	30		AGEERO
C=CCC[C@H]([NH2+][C@@H]1CC[C@@H]1C)C1CC1	379660404	538427025	/nfs/dbraw/zinc/42/70/25/538427025.db2.gz	PDACBBDHMMWOMX-UHTWSYAYSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCF	379620036	538423157	/nfs/dbraw/zinc/42/31/57/538423157.db2.gz	DGJANJPAGSGGRU-SDDRHHMPSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CCC[C@H]([NH2+][C@@H]1CC[C@H]1C)C1CC1	379660403	538427068	/nfs/dbraw/zinc/42/70/68/538427068.db2.gz	PDACBBDHMMWOMX-RTXFEEFZSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CCC[C@H]1CCF	379620037	538423823	/nfs/dbraw/zinc/42/38/23/538423823.db2.gz	DGJANJPAGSGGRU-SRVKXCTJSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCF	379620035	538423867	/nfs/dbraw/zinc/42/38/67/538423867.db2.gz	DGJANJPAGSGGRU-QJPTWQEYSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCF	379620038	538423858	/nfs/dbraw/zinc/42/38/58/538423858.db2.gz	DGJANJPAGSGGRU-TUAOUCFPSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]CCCC1CC1	379634155	538424336	/nfs/dbraw/zinc/42/43/36/538424336.db2.gz	QCLAMYTTYUUVLP-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[NH2+]CCCC1CC1	379634153	538424499	/nfs/dbraw/zinc/42/44/99/538424499.db2.gz	QCLAMYTTYUUVLP-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[NH2+]CCCC1CC1	379634164	538424873	/nfs/dbraw/zinc/42/48/73/538424873.db2.gz	QCLAMYTTYUUVLP-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]CCCC1CC1	379634162	538425520	/nfs/dbraw/zinc/42/55/20/538425520.db2.gz	QCLAMYTTYUUVLP-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+][C@H]1CC[C@@H]1C)C1CC1	379660402	538426971	/nfs/dbraw/zinc/42/69/71/538426971.db2.gz	PDACBBDHMMWOMX-DRZSPHRISA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H]([NH2+][C@H]1CC[C@H]1C)C1CC1	379660405	538427137	/nfs/dbraw/zinc/42/71/37/538427137.db2.gz	PDACBBDHMMWOMX-WXHSDQCUSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCCC[C@H](C)[N@H+](C)CCC=C	381862458	538427666	/nfs/dbraw/zinc/42/76/66/538427666.db2.gz	XOPSXBDDWFSTIE-LBPRGKRZSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CCCC[C@@H](C)[N@H+](C)CCC=C	381862456	538427797	/nfs/dbraw/zinc/42/77/97/538427797.db2.gz	XOPSXBDDWFSTIE-GFCCVEGCSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@@H](C)CCC	388416795	538432109	/nfs/dbraw/zinc/43/21/09/538432109.db2.gz	FKAQPDHKRDEDBT-QWRGUYRKSA-N	1	0	169.312	3.119	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@H](C)CCC	388416794	538432110	/nfs/dbraw/zinc/43/21/10/538432110.db2.gz	FKAQPDHKRDEDBT-MNOVXSKESA-N	1	0	169.312	3.119	10	30		AGEERO
C=C(CC)C[N@H+]1CCC[C@@H](CC)C1	388206843	538429994	/nfs/dbraw/zinc/42/99/94/538429994.db2.gz	DPFZMUKRAJSKQY-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(CC)C[N@H+]1CCC[C@H](CC)C1	388206844	538430024	/nfs/dbraw/zinc/43/00/24/538430024.db2.gz	DPFZMUKRAJSKQY-LBPRGKRZSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(CC)C[N@H+](CC)CCC1CC1	388252652	538430220	/nfs/dbraw/zinc/43/02/20/538430220.db2.gz	AFHPGWWTNLMNQW-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(C)CC[N@@H+](C)C(C)(C)CC	388389094	538431825	/nfs/dbraw/zinc/43/18/25/538431825.db2.gz	AWKHQVMPXHMVQZ-UHFFFAOYSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[C@@H](CC)[NH2+][C@H](C)CCC	388416793	538432491	/nfs/dbraw/zinc/43/24/91/538432491.db2.gz	FKAQPDHKRDEDBT-GHMZBOCLSA-N	1	0	169.312	3.119	10	30		AGEERO
C=CC[C@@H](CC)[NH2+][C@@H](C)CCC	388416796	538432499	/nfs/dbraw/zinc/43/24/99/538432499.db2.gz	FKAQPDHKRDEDBT-WDEREUQCSA-N	1	0	169.312	3.119	10	30		AGEERO
C=C(CC)C[N@H+](C)C(C)(C)CC	388490498	538432869	/nfs/dbraw/zinc/43/28/69/538432869.db2.gz	GRGOULZYWBIFCN-UHFFFAOYSA-N	1	0	169.312	3.073	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@H](C)[C@H]1CC	388577929	538433115	/nfs/dbraw/zinc/43/31/15/538433115.db2.gz	COINJTPPINGFHL-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[NH2+][C@@H](C)C(C)(C)C	388582169	538433125	/nfs/dbraw/zinc/43/31/25/538433125.db2.gz	FQLCQMRKFQKTGK-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@H](C)[C@@H]1CC	388577931	538433549	/nfs/dbraw/zinc/43/35/49/538433549.db2.gz	COINJTPPINGFHL-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[N@H+](C)Cc1cccs1	388584228	538434121	/nfs/dbraw/zinc/43/41/21/538434121.db2.gz	HBGIGIWOHXWWMA-UHFFFAOYSA-N	1	0	195.331	3.146	10	30		AGEERO
C=CCCCC[NH2+]C[C@H](C)CCC	388591405	538434183	/nfs/dbraw/zinc/43/41/83/538434183.db2.gz	ATSSRCUKZKZEQM-GFCCVEGCSA-N	1	0	183.339	3.369	10	30		AGEERO
C=CCCCC[NH2+]C[C@@H](C)CCC	388591406	538434227	/nfs/dbraw/zinc/43/42/27/538434227.db2.gz	ATSSRCUKZKZEQM-LBPRGKRZSA-N	1	0	183.339	3.369	10	30		AGEERO
C=C(C)C[N@@H+](CC)CC/C=C/CC	388621090	538434905	/nfs/dbraw/zinc/43/49/05/538434905.db2.gz	FLWYDWKDWWAZOM-BQYQJAHWSA-N	1	0	181.323	3.241	10	30		AGEERO
C=C(CC)C[N@H+](C)C1CCCCC1	388618428	538435016	/nfs/dbraw/zinc/43/50/16/538435016.db2.gz	DNQZRCSZWYFKEV-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)C[N@@H+](CC)CC/C=C\CC	388621091	538435259	/nfs/dbraw/zinc/43/52/59/538435259.db2.gz	FLWYDWKDWWAZOM-FPLPWBNLSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H](CC)C(C)(C)C	388735265	538436578	/nfs/dbraw/zinc/43/65/78/538436578.db2.gz	WLLUFQWYOJMJQK-GHMZBOCLSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@@H](CC)C(C)(C)C	388735268	538436550	/nfs/dbraw/zinc/43/65/50/538436550.db2.gz	WLLUFQWYOJMJQK-MNOVXSKESA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H](CC)C(C)(C)C	388735271	538436842	/nfs/dbraw/zinc/43/68/42/538436842.db2.gz	WLLUFQWYOJMJQK-WDEREUQCSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H](CC)C(C)(C)C	388735269	538436934	/nfs/dbraw/zinc/43/69/34/538436934.db2.gz	WLLUFQWYOJMJQK-QWRGUYRKSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+](C)CC(C)C	388744952	538437152	/nfs/dbraw/zinc/43/71/52/538437152.db2.gz	YTNJHDPIHMEBHG-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+](C)CC(C)C	388744981	538437452	/nfs/dbraw/zinc/43/74/52/538437452.db2.gz	YTNJHDPIHMEBHG-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(CC)C[N@@H+](C)[C@H](C)CCCC	388852242	538438316	/nfs/dbraw/zinc/43/83/16/538438316.db2.gz	BKWTWEYRHJPDTF-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C=C(C)C[N@H+](C)CCCC(C)(C)C	388849703	538438200	/nfs/dbraw/zinc/43/82/00/538438200.db2.gz	APBNILLNKOUHIL-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@H](C)[C@H]1CC1(C)C	388831723	538438266	/nfs/dbraw/zinc/43/82/66/538438266.db2.gz	PRYSTTWHGGJQJF-GRYCIOLGSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C(C)C[N@@H+](C)C[C@H](C)CC(C)C	388852442	538438376	/nfs/dbraw/zinc/43/83/76/538438376.db2.gz	BOULAWJCDRHGGF-GFCCVEGCSA-N	1	0	183.339	3.177	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@H](C)[C@@H]1CC1(C)C	388831732	538438390	/nfs/dbraw/zinc/43/83/90/538438390.db2.gz	PRYSTTWHGGJQJF-WOPDTQHZSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@@H](C)[C@H]1CC1(C)C	388831726	538438397	/nfs/dbraw/zinc/43/83/97/538438397.db2.gz	PRYSTTWHGGJQJF-SDDRHHMPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC1(C)C	388831730	538438413	/nfs/dbraw/zinc/43/84/13/538438413.db2.gz	PRYSTTWHGGJQJF-SRVKXCTJSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C(C)C[N@@H+](C)C[C@@H](C)CC(C)C	388852444	538438422	/nfs/dbraw/zinc/43/84/22/538438422.db2.gz	BOULAWJCDRHGGF-LBPRGKRZSA-N	1	0	183.339	3.177	10	30		AGEERO
C=C(CC)C[N@@H+](C)[C@@H](C)CCCC	388852243	538438442	/nfs/dbraw/zinc/43/84/42/538438442.db2.gz	BKWTWEYRHJPDTF-LBPRGKRZSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCCC[C@@H](C)[N@H+](C)CC(=C)C	388937335	538438536	/nfs/dbraw/zinc/43/85/36/538438536.db2.gz	WEHHNBZJZICYJN-GFCCVEGCSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CCCC[C@H](C)[N@H+](C)CC(=C)C	388937337	538438601	/nfs/dbraw/zinc/43/86/01/538438601.db2.gz	WEHHNBZJZICYJN-LBPRGKRZSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CCCC[NH2+][C@@H](CCC=C)C1CC1	389202784	538439135	/nfs/dbraw/zinc/43/91/35/538439135.db2.gz	FDYWMCFMKIWATR-ZDUSSCGKSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCCCC[NH2+]C1CC(C(C)C)C1	389226394	538439243	/nfs/dbraw/zinc/43/92/43/538439243.db2.gz	QMCXPCDDPVUZCE-UHFFFAOYSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@H](CCC=C)C1CC1	389202783	538439268	/nfs/dbraw/zinc/43/92/68/538439268.db2.gz	FDYWMCFMKIWATR-CYBMUJFWSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@H]1C	389276238	538440172	/nfs/dbraw/zinc/44/01/72/538440172.db2.gz	PABJCAHJZUBTPW-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+]C1CCC2(CC1)CC2	389231874	538440073	/nfs/dbraw/zinc/44/00/73/538440073.db2.gz	UHYJIOVDGNSHSK-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CCCCC[C@H](C)[NH2+]C[C@H]1C[C@@H]1C	389276242	538440353	/nfs/dbraw/zinc/44/03/53/538440353.db2.gz	PABJCAHJZUBTPW-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[C@H](C)[NH2+]C[C@H]1C[C@H]1C	389276240	538440749	/nfs/dbraw/zinc/44/07/49/538440749.db2.gz	PABJCAHJZUBTPW-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC[C@@H]1CCF	389348455	538440878	/nfs/dbraw/zinc/44/08/78/538440878.db2.gz	NBQBNBMTPAAVAY-NEPJUHHUSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC[C@H]1CCF	389348456	538441102	/nfs/dbraw/zinc/44/11/02/538441102.db2.gz	NBQBNBMTPAAVAY-NWDGAFQWSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC[C@@H]1CCF	389348459	538441280	/nfs/dbraw/zinc/44/12/80/538441280.db2.gz	NBQBNBMTPAAVAY-VXGBXAGGSA-N	1	0	199.313	3.071	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@H](C)CC[C@@H]1C	306511229	541329593	/nfs/dbraw/zinc/32/95/93/541329593.db2.gz	MOKIXTNKWLABJT-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@@H](C)CC[C@H]1C	306511230	541329628	/nfs/dbraw/zinc/32/96/28/541329628.db2.gz	MOKIXTNKWLABJT-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@@H](C)CC[C@@H]1C	306511231	541329635	/nfs/dbraw/zinc/32/96/35/541329635.db2.gz	MOKIXTNKWLABJT-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@H](C)CC[C@H]1C	306511232	541329782	/nfs/dbraw/zinc/32/97/82/541329782.db2.gz	MOKIXTNKWLABJT-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@@H+](C[C@@H](C)CCC)C1CC1	379373886	541338116	/nfs/dbraw/zinc/33/81/16/541338116.db2.gz	MCDSAHVGTUXZSP-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@@H+](C[C@H](C)CCC)C1CC1	379373885	541338651	/nfs/dbraw/zinc/33/86/51/541338651.db2.gz	MCDSAHVGTUXZSP-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
CC#CCC[NH2+]C1CCCCCCC1	165100877	757012872	/nfs/dbraw/zinc/01/28/72/757012872.db2.gz	WFFURTCMESDNED-UHFFFAOYSA-N	1	0	193.334	3.102	10	30		AGEERO
C=C(C)CC[NH2+]CCCCC(C)C	169012929	757018224	/nfs/dbraw/zinc/01/82/24/757018224.db2.gz	WTBWJJREEJXPSJ-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
CCCCCCC[C@H](C)[C@H](C)[NH3+]	103549441	571704986	/nfs/dbraw/zinc/70/49/86/571704986.db2.gz	UITVNRBCYQAPLC-QWRGUYRKSA-N	1	0	171.328	3.330	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1ccoc1Cl	234477194	571974737	/nfs/dbraw/zinc/97/47/37/571974737.db2.gz	JTTRBVVRUGTYCR-SECBINFHSA-N	1	0	199.681	3.160	10	30		AGEERO
C=C(C)CC[C@@H]([NH3+])c1ccc(Cl)o1	232568991	571963251	/nfs/dbraw/zinc/96/32/51/571963251.db2.gz	WKKJCIUYDCPFMJ-MRVPVSSYSA-N	1	0	199.681	3.289	10	30		AGEERO
CCCCC/C(CC)=[NH+]/C	32218316	571970762	/nfs/dbraw/zinc/97/07/62/571970762.db2.gz	MXINUNXNOUWKBK-MDZDMXLPSA-N	1	0	141.258	3.048	10	30		AGEERO
C=C(C)[C@]1([NH3+])C[C@H](C)CC[C@@H]1C(C)C	687695123	571979393	/nfs/dbraw/zinc/97/93/93/571979393.db2.gz	GGLCABKLPFBMPZ-JHJVBQTASA-N	1	0	195.350	3.352	10	30		AGEERO
C=C(C)[C@]([NH3+])(CCC)c1ccccc1	687695149	571979900	/nfs/dbraw/zinc/97/99/00/571979900.db2.gz	KMLZTQFFDATUMF-CYBMUJFWSA-N	1	0	189.302	3.217	10	30		AGEERO
C=C(C)[C@@]([NH3+])(CCC)c1ccccc1	687695150	571979949	/nfs/dbraw/zinc/97/99/49/571979949.db2.gz	KMLZTQFFDATUMF-ZDUSSCGKSA-N	1	0	189.302	3.217	10	30		AGEERO
C=C(C)[C@]1([NH3+])C[C@@H](C)CC[C@@H]1C(C)C	687695125	571980004	/nfs/dbraw/zinc/98/00/04/571980004.db2.gz	GGLCABKLPFBMPZ-YNEHKIRRSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CCCC[C@@H]([NH3+])[C@H](C)CCCC	300853835	571986968	/nfs/dbraw/zinc/98/69/68/571986968.db2.gz	BNIQWAQAWDWNBJ-VXGBXAGGSA-N	1	0	183.339	3.496	10	30		AGEERO
CC#CC[C@H]([NH2+]CC)[C@@H](C)CCCC	300876225	571998308	/nfs/dbraw/zinc/99/83/08/571998308.db2.gz	FNBRXOBMHIWKKO-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])[C@H]1C[C@H]1C	300224010	572005460	/nfs/dbraw/zinc/00/54/60/572005460.db2.gz	JRFLZQAMXFTIEP-WOPDTQHZSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CCC[C@H](CCC(C)(C)C)[NH2+]C	300884952	572016455	/nfs/dbraw/zinc/01/64/55/572016455.db2.gz	OYVYQQIBNWLHRG-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCCC[C@@H](C)CC[NH3+]	235104489	572069352	/nfs/dbraw/zinc/06/93/52/572069352.db2.gz	HDDRXBJLTVQBND-LLVKDONJSA-N	1	0	169.312	3.108	10	30		AGEERO
C#CCC[C@@H]([NH2+]CC)[C@H](C)CCCC	300930957	572083428	/nfs/dbraw/zinc/08/34/28/572083428.db2.gz	MLTNLWLIHUCIOR-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1ccc(Cl)o1	234444542	572095027	/nfs/dbraw/zinc/09/50/27/572095027.db2.gz	DWKMKURUVOXKCA-MRVPVSSYSA-N	1	0	199.681	3.160	10	30		AGEERO
C#CCCCC[NH2+]C[C@H](C)CC(C)C	300987350	572223891	/nfs/dbraw/zinc/22/38/91/572223891.db2.gz	VAFIKUWROIFOJB-CYBMUJFWSA-N	1	0	195.350	3.062	10	30		AGEERO
C=CCCC[C@H](C)C[NH2+]CC(C)C	82764346	572103402	/nfs/dbraw/zinc/10/34/02/572103402.db2.gz	LVGDJBOJPHYXSN-LBPRGKRZSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1ccc(Cl)o1	234476728	572103980	/nfs/dbraw/zinc/10/39/80/572103980.db2.gz	HNGZPWIUNYZOOJ-MRVPVSSYSA-N	1	0	199.681	3.160	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C[C@@]12CCC[C@@H]1C2	693566558	757390753	/nfs/dbraw/zinc/39/07/53/757390753.db2.gz	FLXRVBMHTRNKOC-XQQFMLRXSA-N	1	0	193.334	3.121	10	30		AGEERO
CC#CC[C@H](C)[C@H](C)C[NH2+]C(C)(C)C	87953634	572767777	/nfs/dbraw/zinc/76/77/77/572767777.db2.gz	ZOIXHXZPYNLJTR-NWDGAFQWSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CCCC[C@@H]1[NH2+]Cc2ccccc21	83389398	572208660	/nfs/dbraw/zinc/20/86/60/572208660.db2.gz	IMOHPXHRPNRCCD-ZDUSSCGKSA-N	1	0	187.286	3.187	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)[C@H](C)CCCC	300979315	572208691	/nfs/dbraw/zinc/20/86/91/572208691.db2.gz	UAACTGILIIICLV-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(Cl)C[NH2+][C@H](C)C(C)(C)CC	695153546	757401214	/nfs/dbraw/zinc/40/12/14/757401214.db2.gz	PMQKLVPFRNDDGM-SECBINFHSA-N	1	0	189.730	3.153	10	30		AGEERO
C=C(Cl)C[NH2+][C@@H](C)C(C)(C)CC	695153548	757402409	/nfs/dbraw/zinc/40/24/09/757402409.db2.gz	PMQKLVPFRNDDGM-VIFPVBQESA-N	1	0	189.730	3.153	10	30		AGEERO
C=C(Cl)C[NH2+][C@@H]1CCCC2(CC2)C1	695765111	757409536	/nfs/dbraw/zinc/40/95/36/757409536.db2.gz	GZJVWTZFLSMTQP-SNVBAGLBSA-N	1	0	199.725	3.051	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCCC2(CC2)C1	695766348	757413306	/nfs/dbraw/zinc/41/33/06/757413306.db2.gz	OFYIERCRYZAGEP-GFCCVEGCSA-N	1	0	193.334	3.265	10	30		AGEERO
C=C(Cl)C[NH2+][C@H]1CCCC2(CC2)C1	695765109	757413610	/nfs/dbraw/zinc/41/36/10/757413610.db2.gz	GZJVWTZFLSMTQP-JTQLQIEISA-N	1	0	199.725	3.051	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCCC2(CC2)C1	695766352	757415221	/nfs/dbraw/zinc/41/52/21/757415221.db2.gz	OFYIERCRYZAGEP-LBPRGKRZSA-N	1	0	193.334	3.265	10	30		AGEERO
C=C(C)CC[NH2+][C@H]1CCCC2(CC2)C1	695769078	757417081	/nfs/dbraw/zinc/41/70/81/757417081.db2.gz	ZLVZLCBNJNYSRR-LBPRGKRZSA-N	1	0	193.334	3.265	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CCCC2(CC2)C1	695769077	757420129	/nfs/dbraw/zinc/42/01/29/757420129.db2.gz	ZLVZLCBNJNYSRR-GFCCVEGCSA-N	1	0	193.334	3.265	10	30		AGEERO
CC[C@H](C)[NH+]=CC=C(C)N[C@H](C)CC	238292225	572528734	/nfs/dbraw/zinc/52/87/34/572528734.db2.gz	NLCSFEXQEZJQOG-NUBTUZSTSA-N	1	0	196.338	3.148	10	30		AGEERO
C=C(C)CC1(C[NH3+])CCC(C)(C)CC1	307496968	572534355	/nfs/dbraw/zinc/53/43/55/572534355.db2.gz	KASMLTCFNPYDQX-UHFFFAOYSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C(CC)C[N@H+](C)CCCC(C)C	308315615	573236152	/nfs/dbraw/zinc/23/61/52/573236152.db2.gz	VEZHKSHLPBXWCW-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=C(CC)C[NH2+]C[C@H]1CCCC[C@H]1C	85058097	572641270	/nfs/dbraw/zinc/64/12/70/572641270.db2.gz	NBQAMWYOSDVADA-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[NH2+]C[C@@H]1CCCC[C@@H]1C	85058088	572641370	/nfs/dbraw/zinc/64/13/70/572641370.db2.gz	NBQAMWYOSDVADA-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
CC[C@@H](CC#N)[N@H+](C)[C@@H](C)C(C)(C)C	42763935	573256223	/nfs/dbraw/zinc/25/62/23/573256223.db2.gz	XDHLZXVQTJZMNE-QWRGUYRKSA-N	1	0	196.338	3.045	10	30		AGEERO
C=CC(C)(C)[NH2+][C@H](C)c1ccccc1	238441817	572720683	/nfs/dbraw/zinc/72/06/83/572720683.db2.gz	KXXFLEWVCUNGLY-LLVKDONJSA-N	1	0	189.302	3.302	10	30		AGEERO
CC#CCCCC[NH2+][C@@H](CC)C(C)C	308625117	573567098	/nfs/dbraw/zinc/56/70/98/573567098.db2.gz	VOORBAUELJBEGQ-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCCC[C@H]1CCC[C@@H]1C[NH3+]	236196064	572748278	/nfs/dbraw/zinc/74/82/78/572748278.db2.gz	MZAVPLYJTHSZQY-QWHCGFSZSA-N	1	0	195.350	3.498	10	30		AGEERO
CC#CC[C@@H](C)[C@H](C)C[NH2+]C(C)(C)C	87953633	572767788	/nfs/dbraw/zinc/76/77/88/572767788.db2.gz	ZOIXHXZPYNLJTR-VXGBXAGGSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(CC)C[C@@H](C)[C@@H](C)C[NH2+]C1CC1	87953219	572767814	/nfs/dbraw/zinc/76/78/14/572767814.db2.gz	LYPXZBUOEARLBU-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)C[NH2+]CC(C)C	87953677	572767912	/nfs/dbraw/zinc/76/79/12/572767912.db2.gz	BSSULJWWNCTOOW-VXGBXAGGSA-N	1	0	183.339	3.080	10	30		AGEERO
C=C(C)C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1	1115818200	757575731	/nfs/dbraw/zinc/57/57/31/757575731.db2.gz	HTVYTJPBYDRKBJ-CHWSQXEVSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1	1115818207	757576432	/nfs/dbraw/zinc/57/64/32/757576432.db2.gz	HTVYTJPBYDRKBJ-QWHCGFSZSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1	1115818208	757578331	/nfs/dbraw/zinc/57/83/31/757578331.db2.gz	HTVYTJPBYDRKBJ-STQMWFEESA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@@H+]1CC[C@H]2CCCC[C@H]2C1	1115818206	757579781	/nfs/dbraw/zinc/57/97/81/757579781.db2.gz	HTVYTJPBYDRKBJ-OLZOCXBDSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1csc(C)c1C	307081560	572872429	/nfs/dbraw/zinc/87/24/29/572872429.db2.gz	HAYUWXKDHDWITO-NSHDSACASA-N	1	0	195.331	3.331	10	30		AGEERO
C=CCCC[N@@H+](C)[C@@H]1CC[C@H](C)C1	308187654	572914160	/nfs/dbraw/zinc/91/41/60/572914160.db2.gz	LCSMEHRJEYUEQF-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[C@@H](CCCC)[NH2+]C	86315242	572915950	/nfs/dbraw/zinc/91/59/50/572915950.db2.gz	JIFWZPDFJXLEIZ-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=Cc1cccc([C@@H]2CC[C@@H](C=C)[NH2+]2)c1	238113479	572937063	/nfs/dbraw/zinc/93/70/63/572937063.db2.gz	VAQMQDOLDGWARW-KGLIPLIRSA-N	1	0	199.297	3.309	10	30		AGEERO
C=Cc1cccc([C@H]2CC[C@@H](C=C)[NH2+]2)c1	238114085	572937075	/nfs/dbraw/zinc/93/70/75/572937075.db2.gz	VAQMQDOLDGWARW-ZIAGYGMSSA-N	1	0	199.297	3.309	10	30		AGEERO
C=Cc1ccccc1[C@@H]1CC[C@@H](C=C)[NH2+]1	238113571	572937123	/nfs/dbraw/zinc/93/71/23/572937123.db2.gz	BUUUXNUVYXJURY-OCCSQVGLSA-N	1	0	199.297	3.309	10	30		AGEERO
C=C[C@@H]([NH2+]C(C)(C)C)c1ccccc1	238111802	572938601	/nfs/dbraw/zinc/93/86/01/572938601.db2.gz	PTAUIIGVZSVPCY-GFCCVEGCSA-N	1	0	189.302	3.302	10	30		AGEERO
C=CC[NH2+]CC1=CC[C@@H](C(=C)C)CC1	238145481	572950345	/nfs/dbraw/zinc/95/03/45/572950345.db2.gz	AHSJGGGGFWTPBB-CYBMUJFWSA-N	1	0	191.318	3.065	10	30		AGEERO
C=[NH+][C@@]12C[C@@H]3C[C@@](C)(C[C@@](C)(C3)C1)C2	104528296	572996021	/nfs/dbraw/zinc/99/60/21/572996021.db2.gz	XUGDXPYFLISEDY-WNGYAQOMSA-N	1	0	191.318	3.436	10	30		AGEERO
CC#CCC[NH2+][C@@H](C)CCC(C)(C)C	308485186	573020903	/nfs/dbraw/zinc/02/09/03/573020903.db2.gz	OOGFCJYNCAGNKU-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
CC#CCC[NH2+][C@H](C)CCC(C)(C)C	308485185	573023483	/nfs/dbraw/zinc/02/34/83/573023483.db2.gz	OOGFCJYNCAGNKU-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H](CCCCC)[NH2+]CC	128565430	573072032	/nfs/dbraw/zinc/07/20/32/573072032.db2.gz	SNTHPBAUNFWAKY-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[N@@H+](C)CCCC	308248468	573076686	/nfs/dbraw/zinc/07/66/86/573076686.db2.gz	ZKYOSTOBHIBMQL-NEPJUHHUSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]C(C)(C)CC	308250717	573076783	/nfs/dbraw/zinc/07/67/83/573076783.db2.gz	AYWQTDXJALDBCA-QWRGUYRKSA-N	1	0	183.339	3.365	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CC[C@](C)(C(C)C)C1	308497235	573083833	/nfs/dbraw/zinc/08/38/33/573083833.db2.gz	DSHGNUFSDFUXBT-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
CCC(CC)[C@H](C)[NH2+][C@@H](CC)CC#N	82632598	573139420	/nfs/dbraw/zinc/13/94/20/573139420.db2.gz	PYNPIKLGWLAAAK-JQWIXIFHSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)C(CC)CC	128986868	573164088	/nfs/dbraw/zinc/16/40/88/573164088.db2.gz	CATGHMBUEIZALD-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]C)c1cc(C)oc1C	128993415	573170806	/nfs/dbraw/zinc/17/08/06/573170806.db2.gz	QXKVMBPDHPDDMM-LBPRGKRZSA-N	1	0	193.290	3.123	10	30		AGEERO
C=C(C)CC[C@@]1(C[NH3+])CCC[C@H](C)C1	308508166	573170877	/nfs/dbraw/zinc/17/08/77/573170877.db2.gz	ARUMUCJXTDNBSH-STQMWFEESA-N	1	0	195.350	3.498	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]CC/C=C/C	308306708	573199226	/nfs/dbraw/zinc/19/92/26/573199226.db2.gz	OUYZIDKWLDGKEV-YILIYONBSA-N	1	0	181.323	3.143	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]CC/C=C\C	308306711	573199325	/nfs/dbraw/zinc/19/93/25/573199325.db2.gz	OUYZIDKWLDGKEV-ZADDAZQUSA-N	1	0	181.323	3.143	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)C(C)(C)CC	129027886	573204978	/nfs/dbraw/zinc/20/49/78/573204978.db2.gz	HSHNHAUJNTWLBK-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H]([NH3+])C[C@H](C)C(C)(C)C	129029397	573205063	/nfs/dbraw/zinc/20/50/63/573205063.db2.gz	SHPIQLKIWOXVQO-WDEREUQCSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CC[C@@H](C)[NH2+]C(C(C)C)C(C)C	308205089	573208334	/nfs/dbraw/zinc/20/83/34/573208334.db2.gz	HFIHBEISFXFLKU-LLVKDONJSA-N	1	0	183.339	3.221	10	30		AGEERO
C=CCC[C@H]([NH3+])CCC1CCCC1	129085470	573211525	/nfs/dbraw/zinc/21/15/25/573211525.db2.gz	LJPRXAAYPOOAIN-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1cc(C)c(C)s1	129093997	573218906	/nfs/dbraw/zinc/21/89/06/573218906.db2.gz	PPRCMFMMCSTGIE-SNVBAGLBSA-N	1	0	195.331	3.331	10	30		AGEERO
C=CCC[C@H]([NH2+]C)C1(C)CCCC1	129136884	573220744	/nfs/dbraw/zinc/22/07/44/573220744.db2.gz	PBYUJLDFAARMDD-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
CC[C@@H](C)c1ccc([C@@H]([NH3+])S)cc1	259603789	573224107	/nfs/dbraw/zinc/22/41/07/573224107.db2.gz	XEVLOSCSNLZHSY-KCJUWKMLSA-N	1	0	195.331	3.087	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]CC)[C@H]1C[C@H]1CC	715706742	573224150	/nfs/dbraw/zinc/22/41/50/573224150.db2.gz	TYYNKCMRWQTFQJ-RNJOBUHISA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]CC)[C@H]1C[C@@H]1CC	715706728	573224172	/nfs/dbraw/zinc/22/41/72/573224172.db2.gz	TYYNKCMRWQTFQJ-CYDGBPFRSA-N	1	0	195.350	3.223	10	30		AGEERO
CC[C@H](C)c1ccc([C@H]([NH3+])S)cc1	259603784	573224618	/nfs/dbraw/zinc/22/46/18/573224618.db2.gz	XEVLOSCSNLZHSY-GZMMTYOYSA-N	1	0	195.331	3.087	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]CC)[C@@H]1C[C@H]1CC	715706738	573224685	/nfs/dbraw/zinc/22/46/85/573224685.db2.gz	TYYNKCMRWQTFQJ-LOWDOPEQSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1[C@H]2CCCC[C@H]21	308520616	573226857	/nfs/dbraw/zinc/22/68/57/573226857.db2.gz	OPZFOVRAYOQYPX-NDBYEHHHSA-N	1	0	193.334	3.119	10	30		AGEERO
CC#CCC[NH2+]CC(C)(C)C(C)(C)C	308520495	573227056	/nfs/dbraw/zinc/22/70/56/573227056.db2.gz	RTLSWWOMFCSRBJ-UHFFFAOYSA-N	1	0	195.350	3.062	10	30		AGEERO
C=CCC[C@H]([NH2+]C)c1sccc1C	129096937	573227627	/nfs/dbraw/zinc/22/76/27/573227627.db2.gz	YJTICLLRTPLBKZ-JTQLQIEISA-N	1	0	195.331	3.283	10	30		AGEERO
C=CCC[C@@H](CCCCC)[NH2+]C	129101310	573227676	/nfs/dbraw/zinc/22/76/76/573227676.db2.gz	HZPXXFBRMNBWSN-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)[C@H](C)CCC	129103247	573228016	/nfs/dbraw/zinc/22/80/16/573228016.db2.gz	VVSHZTIGLATJEM-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)[C@@H](C)CCC	129103430	573228104	/nfs/dbraw/zinc/22/81/04/573228104.db2.gz	VVSHZTIGLATJEM-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H](CCCCC)[NH2+]C	129101083	573229359	/nfs/dbraw/zinc/22/93/59/573229359.db2.gz	HZPXXFBRMNBWSN-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C[C@@H](C)[NH2+]CC1CCC(C)(C)CC1	308525562	573234480	/nfs/dbraw/zinc/23/44/80/573234480.db2.gz	OXYMMBKBCNTXGJ-LLVKDONJSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+][C@H](C)C=C	308323296	573235099	/nfs/dbraw/zinc/23/50/99/573235099.db2.gz	CWSYFGAGLWJATH-VXGBXAGGSA-N	1	0	181.323	3.285	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+][C@@H](C)C=C	308323289	573235155	/nfs/dbraw/zinc/23/51/55/573235155.db2.gz	CWSYFGAGLWJATH-NWDGAFQWSA-N	1	0	181.323	3.285	10	30		AGEERO
C=CCC[C@@H]([NH2+]CCC)[C@H](C)C1CC1	129138658	573235301	/nfs/dbraw/zinc/23/53/01/573235301.db2.gz	HIIAQGWHZAWSBN-DGCLKSJQSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]CCC)[C@H](C)C1CC1	129138437	573236007	/nfs/dbraw/zinc/23/60/07/573236007.db2.gz	HIIAQGWHZAWSBN-YPMHNXCESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])[C@H]1CCCC12CC2	715720858	573238874	/nfs/dbraw/zinc/23/88/74/573238874.db2.gz	NKBHVERYALONBU-TUAOUCFPSA-N	1	0	193.334	3.106	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC)[C@H](C)C(C)C	129144988	573238909	/nfs/dbraw/zinc/23/89/09/573238909.db2.gz	ZKHFCPZLJZJCGZ-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
CCCCCC(C)=[NH+]n1cccc1	308323185	573239123	/nfs/dbraw/zinc/23/91/23/573239123.db2.gz	CVOAMIDBAHRZHY-UHFFFAOYSA-N	1	0	178.279	3.292	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]C)[C@]1(C)CC1(C)C	715724332	573241474	/nfs/dbraw/zinc/24/14/74/573241474.db2.gz	VJHXVWWKKMJZNK-GVXVVHGQSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1	308325993	573241493	/nfs/dbraw/zinc/24/14/93/573241493.db2.gz	FWQROAQSEQLSJP-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+](C1CC1)[C@@H](C)CC	308320038	573241581	/nfs/dbraw/zinc/24/15/81/573241581.db2.gz	XXGZFGPLXGEUMN-NSHDSACASA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(C)CC[N@H+](C1CC1)[C@H](C)CC	308320036	573242923	/nfs/dbraw/zinc/24/29/23/573242923.db2.gz	XXGZFGPLXGEUMN-LLVKDONJSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CC[C@H]([NH2+]CC)C(C(C)C)C(C)C	388688612	573243680	/nfs/dbraw/zinc/24/36/80/573243680.db2.gz	LEOPKSHLPIKFDZ-LBPRGKRZSA-N	1	0	197.366	3.469	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH2+]C)[C@]1(C)CC1(C)C	715724334	573245596	/nfs/dbraw/zinc/24/55/96/573245596.db2.gz	VJHXVWWKKMJZNK-LOWVWBTDSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC(C)(C)CNc1cc[nH+]cc1	308523482	573245666	/nfs/dbraw/zinc/24/56/66/573245666.db2.gz	VTNXIZLVVKTZJG-UHFFFAOYSA-N	1	0	190.290	3.096	10	30		AGEERO
C=CC[C@@H](C)[C@H](CC1(C)CC1)[NH2+]CC	715731787	573246655	/nfs/dbraw/zinc/24/66/55/573246655.db2.gz	IFTWVNMIFIDQFT-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[C@H](CC1(C)CC1)[NH2+]CC	715731790	573246903	/nfs/dbraw/zinc/24/69/03/573246903.db2.gz	IFTWVNMIFIDQFT-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])CC(C)(C)C1CC1	715733630	573249351	/nfs/dbraw/zinc/24/93/51/573249351.db2.gz	OUEYVZICCQJLQJ-JQWIXIFHSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])CC(C)(C)CC	715731768	573249491	/nfs/dbraw/zinc/24/94/91/573249491.db2.gz	ICHFEDSRCJPAIG-QWRGUYRKSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH3+])CC(C)(C)C1CC1	715733632	573250903	/nfs/dbraw/zinc/25/09/03/573250903.db2.gz	OUEYVZICCQJLQJ-ZYHUDNBSSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH3+])CC(C)(C)CC	715731767	573250967	/nfs/dbraw/zinc/25/09/67/573250967.db2.gz	ICHFEDSRCJPAIG-MNOVXSKESA-N	1	0	183.339	3.352	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH2+]C)C1CC(C)(C)C1	715735480	573253986	/nfs/dbraw/zinc/25/39/86/573253986.db2.gz	WNAMGJZNXBXKFX-CMPLNLGQSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C[C@@H](C)[NH2+]C[C@H](C)C1CCCCC1	308529511	573255641	/nfs/dbraw/zinc/25/56/41/573255641.db2.gz	ZBVTTWYQOJVKPL-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
CC[C@H](CC#N)[N@H+](C)[C@@H](C)C(C)(C)C	42763937	573256922	/nfs/dbraw/zinc/25/69/22/573256922.db2.gz	XDHLZXVQTJZMNE-WDEREUQCSA-N	1	0	196.338	3.045	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]C)C1CC(C)(C)C1	715735482	573257009	/nfs/dbraw/zinc/25/70/09/573257009.db2.gz	WNAMGJZNXBXKFX-JQWIXIFHSA-N	1	0	195.350	3.223	10	30		AGEERO
CCCCCCC[NH2+]CC(C)(C)C#N	129210268	573259965	/nfs/dbraw/zinc/25/99/65/573259965.db2.gz	QNGHSXXBNHWSEV-UHFFFAOYSA-N	1	0	196.338	3.096	10	30		AGEERO
C=CC[C@@H](C)C1(C[NH3+])CCCCC1	715751467	573270343	/nfs/dbraw/zinc/27/03/43/573270343.db2.gz	CKYXIAIXZQCISV-LLVKDONJSA-N	1	0	181.323	3.108	10	30		AGEERO
CCCCCCCC1(C[NH2+]C)CC1	116397845	573280852	/nfs/dbraw/zinc/28/08/52/573280852.db2.gz	OHHITQMSNSLKNU-UHFFFAOYSA-N	1	0	183.339	3.347	10	30		AGEERO
C=CC[C@H](C)[C@]1([NH3+])CCC[C@H](C)C1	715756279	573281081	/nfs/dbraw/zinc/28/10/81/573281081.db2.gz	KUHGBQMMJWONLU-SRVKXCTJSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CC[C@@H](C)[C@H](CCC)[NH2+]CCC	715755977	573281955	/nfs/dbraw/zinc/28/19/55/573281955.db2.gz	JUUMVJPGNRTDKC-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@H](C)[C@@H](CCC)[NH2+]CCC	715755978	573283611	/nfs/dbraw/zinc/28/36/11/573283611.db2.gz	JUUMVJPGNRTDKC-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@H](C)[C@@]1([NH3+])CCC[C@H](C)C1	715756276	573284661	/nfs/dbraw/zinc/28/46/61/573284661.db2.gz	KUHGBQMMJWONLU-SDDRHHMPSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CC[C@H](C)[C@@]1([NH3+])CCC[C@@H](C)C1	715756275	573284786	/nfs/dbraw/zinc/28/47/86/573284786.db2.gz	KUHGBQMMJWONLU-GRYCIOLGSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CC[C@H](C)[C@]1([NH3+])CCC[C@@H](C)C1	715756282	573284800	/nfs/dbraw/zinc/28/48/00/573284800.db2.gz	KUHGBQMMJWONLU-WOPDTQHZSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CC[C@@H](C)[C@H]1[NH2+]Cc2ccccc21	715758042	573294067	/nfs/dbraw/zinc/29/40/67/573294067.db2.gz	QLXQSCKOJCUBGP-ZWNOBZJWSA-N	1	0	187.286	3.043	10	30		AGEERO
C=C(C)CC[NH2+][C@H](C1CC1)C(C)(C)C	324288532	573314394	/nfs/dbraw/zinc/31/43/94/573314394.db2.gz	RHSNZVZEXMVACH-GFCCVEGCSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)C(C)(C)CC[NH2+]C1CC1	715772559	573323722	/nfs/dbraw/zinc/32/37/22/573323722.db2.gz	JCYBUJOAXAFEHT-LLVKDONJSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)CC[NH2+]C(C)C	715772099	573323745	/nfs/dbraw/zinc/32/37/45/573323745.db2.gz	IBRFTEYHNCLQIL-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C[C@@H](C)[NH2+]C(C)(C)c1cccs1	393584684	573337560	/nfs/dbraw/zinc/33/75/60/573337560.db2.gz	OOLSAYLDHHGMMT-SECBINFHSA-N	1	0	195.331	3.147	10	30		AGEERO
C=CCC[C@H](C)[N@H+](C)CC(C)(C)C	308349535	573337626	/nfs/dbraw/zinc/33/76/26/573337626.db2.gz	XQNXUWPOYOQOBU-NSHDSACASA-N	1	0	183.339	3.319	10	30		AGEERO
C=C[C@H](C)C1(C[NH3+])CCC(CC)CC1	308555160	573339051	/nfs/dbraw/zinc/33/90/51/573339051.db2.gz	RURQIMPNOFJUDF-HIFPTAJRSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CC[C@H](C)[C@@H]1C[C@@H](C)CC[C@H]1C[NH3+]	715775423	573341547	/nfs/dbraw/zinc/34/15/47/573341547.db2.gz	SNGHGEDUKYJIMR-CYDGBPFRSA-N	1	0	195.350	3.210	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])c1ccc(C)s1	715776862	573343604	/nfs/dbraw/zinc/34/36/04/573343604.db2.gz	YXUYJMHYSOFUDI-KWQFWETISA-N	1	0	195.331	3.269	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[C@@H](C)C[NH2+]CC	715777078	573343713	/nfs/dbraw/zinc/34/37/13/573343713.db2.gz	ZDIODVHPEPKOAE-SDDRHHMPSA-N	1	0	183.339	3.080	10	30		AGEERO
C=CC[C@H](C)[C@@H]1C[C@@H](C)CC[C@@H]1C[NH3+]	715775426	573344694	/nfs/dbraw/zinc/34/46/94/573344694.db2.gz	SNGHGEDUKYJIMR-RVMXOQNASA-N	1	0	195.350	3.210	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH3+])c1ccc(C)s1	715776861	573344710	/nfs/dbraw/zinc/34/47/10/573344710.db2.gz	YXUYJMHYSOFUDI-KCJUWKMLSA-N	1	0	195.331	3.269	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH3+])c1ccc(C)s1	715776864	573344758	/nfs/dbraw/zinc/34/47/58/573344758.db2.gz	YXUYJMHYSOFUDI-LDYMZIIASA-N	1	0	195.331	3.269	10	30		AGEERO
C#CC[NH2+][C@H](C)CCCCCCCC	78018690	573345987	/nfs/dbraw/zinc/34/59/87/573345987.db2.gz	UZYDJMMHVXJTCF-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[C@@H](C)C[NH2+]CC	715777079	573346219	/nfs/dbraw/zinc/34/62/19/573346219.db2.gz	ZDIODVHPEPKOAE-SRVKXCTJSA-N	1	0	183.339	3.080	10	30		AGEERO
C=C[C@H](C)[C@]1(C[NH3+])CCC[C@@H](CC)C1	308563344	573363895	/nfs/dbraw/zinc/36/38/95/573363895.db2.gz	XGEWFCLXKFGFQE-YNEHKIRRSA-N	1	0	195.350	3.354	10	30		AGEERO
CCCCC(CC)=[NH+]n1cccc1	308368307	573364023	/nfs/dbraw/zinc/36/40/23/573364023.db2.gz	PBBHAQBZDPXQMO-UHFFFAOYSA-N	1	0	178.279	3.292	10	30		AGEERO
C=CCC/C=C(\C)C[C@@H]1CCCC[NH2+]1	308367499	573364290	/nfs/dbraw/zinc/36/42/90/573364290.db2.gz	RBVFFPSGBZTHEV-RPHSKFLZSA-N	1	0	193.334	3.431	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+]CCCF	308368557	573365975	/nfs/dbraw/zinc/36/59/75/573365975.db2.gz	PDQUIWSCROLAGL-LLVKDONJSA-N	1	0	187.302	3.071	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+][C@@H](C)CC#N	308571111	573401380	/nfs/dbraw/zinc/40/13/80/573401380.db2.gz	BZELWOBABFGONQ-RYUDHWBXSA-N	1	0	194.322	3.013	10	30		AGEERO
C=CCC[NH2+]CCCCCCC	126178212	573401637	/nfs/dbraw/zinc/40/16/37/573401637.db2.gz	PKQGGFFJWZVHQK-UHFFFAOYSA-N	1	0	169.312	3.123	10	30		AGEERO
C=CCCC[C@@H](C)[NH2+]Cc1ccoc1	133582341	573414665	/nfs/dbraw/zinc/41/46/65/573414665.db2.gz	KANFUOIUUNVMQQ-LLVKDONJSA-N	1	0	193.290	3.114	10	30		AGEERO
C=CCCC[C@H](C)[NH2+]Cc1ccoc1	133582117	573416288	/nfs/dbraw/zinc/41/62/88/573416288.db2.gz	KANFUOIUUNVMQQ-NSHDSACASA-N	1	0	193.290	3.114	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](CC)C1	308581949	573436944	/nfs/dbraw/zinc/43/69/44/573436944.db2.gz	GTVYQVMPOMXFKH-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@@H]1CCC[C@H](CC)C1	308581945	573437074	/nfs/dbraw/zinc/43/70/74/573437074.db2.gz	GTVYQVMPOMXFKH-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@H]1CCC[C@@H](CC)C1	308581947	573437231	/nfs/dbraw/zinc/43/72/31/573437231.db2.gz	GTVYQVMPOMXFKH-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@@H]([NH3+])C1(C)CC1	126231554	573440707	/nfs/dbraw/zinc/44/07/07/573440707.db2.gz	PWLCKUJTUFTJAU-LLVKDONJSA-N	1	0	183.339	3.474	10	30		AGEERO
C=CC[NH2+][C@@H](CCC)c1cccs1	50522190	573443371	/nfs/dbraw/zinc/44/33/71/573443371.db2.gz	IRBGACMSPHJGMX-JTQLQIEISA-N	1	0	195.331	3.365	10	30		AGEERO
CC#CCC[NH2+][C@@H](C)[C@H](C)CCCC	308590869	573456831	/nfs/dbraw/zinc/45/68/31/573456831.db2.gz	KGVVNJHGMAHZTQ-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+][C@H]1CC=CCC1	129752004	571917104	/nfs/dbraw/zinc/91/71/04/571917104.db2.gz	ZXWHQPPAHZZQAP-XQQFMLRXSA-N	1	0	193.334	3.285	10	30		AGEERO
C=CCCCCC[C@H](C)[C@H](C)C[NH3+]	235486368	571919902	/nfs/dbraw/zinc/91/99/02/571919902.db2.gz	WXMCHGWJIPOTJD-NWDGAFQWSA-N	1	0	183.339	3.354	10	30		AGEERO
C=CC[C@H](C[NH2+]C)CC(C)(C)CC	713142071	571942588	/nfs/dbraw/zinc/94/25/88/571942588.db2.gz	UVJIEPAAPURJJS-NSHDSACASA-N	1	0	183.339	3.224	10	30		AGEERO
CC#CC[C@@H]([NH2+]CC)[C@@H](C)CCCC	300876224	571997542	/nfs/dbraw/zinc/99/75/42/571997542.db2.gz	FNBRXOBMHIWKKO-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@@H](C)[C@@](C)(CC)C[NH2+]C1CC1	715827107	573479152	/nfs/dbraw/zinc/47/91/52/573479152.db2.gz	FYUMODSXJLADBX-YPMHNXCESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCCC[C@H]([NH2+]C)[C@H]1C[C@H]1C	300226138	572006752	/nfs/dbraw/zinc/00/67/52/572006752.db2.gz	WTDRKAWHPIHGSN-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)[C@@H]1CCC[C@H]1C	300237097	572015324	/nfs/dbraw/zinc/01/53/24/572015324.db2.gz	XUJNRFCHHUZJCH-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)[C@@H]1CCC[C@H]1C	300234210	572018481	/nfs/dbraw/zinc/01/84/81/572018481.db2.gz	NGEKUFBUOYZGNW-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H]([C@@H](CCC)[NH2+]C)[Si](C)(C)C	238248235	573485205	/nfs/dbraw/zinc/48/52/05/573485205.db2.gz	YDPWHWAWNUYABD-MNOVXSKESA-N	1	0	199.414	3.269	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@@H](C)c1ccccc1	235602763	572042901	/nfs/dbraw/zinc/04/29/01/572042901.db2.gz	OZXIXJOQQYCAMJ-AAEUAGOBSA-N	1	0	189.302	3.084	10	30		AGEERO
C#C[C@H](C[C@H](C)CC(C)(C)C)[NH2+]CC	130233773	573492980	/nfs/dbraw/zinc/49/29/80/573492980.db2.gz	LIJBYFIZPHIHKQ-NWDGAFQWSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@@H](C[C@H](C)CC(C)(C)C)[NH2+]CC	130233992	573493555	/nfs/dbraw/zinc/49/35/55/573493555.db2.gz	LIJBYFIZPHIHKQ-RYUDHWBXSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C[C@@H](C)C[N@@H+](C)CC/C=C/CC	308397849	573499372	/nfs/dbraw/zinc/49/93/72/573499372.db2.gz	FJWFLAOXFXTDSO-ABZNLYFFSA-N	1	0	181.323	3.097	10	30		AGEERO
CC[C@H](C)NC(C)=CC=[NH+][C@@H](C)CC	238275993	572505441	/nfs/dbraw/zinc/50/54/41/572505441.db2.gz	NLCSFEXQEZJQOG-PDEBCCAVSA-N	1	0	196.338	3.148	10	30		AGEERO
C=C(CC)C[C@H]1C[C@H](CC)CC[NH2+]1	85070655	572650479	/nfs/dbraw/zinc/65/04/79/572650479.db2.gz	FKHQRPLYUBNUFG-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]1C[C@H](CCC)CC[C@H]1C[NH3+]	87945831	572760269	/nfs/dbraw/zinc/76/02/69/572760269.db2.gz	RZDAVWIYQRDKDG-UPJWGTAASA-N	1	0	195.350	3.354	10	30		AGEERO
C=C(C)C/C=C(/C)[C@H]1CCCC[NH2+]1	306798828	572760353	/nfs/dbraw/zinc/76/03/53/572760353.db2.gz	MGANPUUEEDIINC-NXIHDVOMSA-N	1	0	179.307	3.041	10	30		AGEERO
C=C(C)C[C@@H]1C[C@H](CC)CC[C@@H]1C[NH3+]	87945512	572760428	/nfs/dbraw/zinc/76/04/28/572760428.db2.gz	CKSACROWXJXRQI-JHJVBQTASA-N	1	0	195.350	3.354	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC1	87961789	572776885	/nfs/dbraw/zinc/77/68/85/572776885.db2.gz	YUDAERBMFUONND-NEPJUHHUSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[C@H]1CCCC[C@H]1C[NH2+]C	87960501	572776961	/nfs/dbraw/zinc/77/69/61/572776961.db2.gz	DBVBWEHNZUHWOI-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(Cl)C[N@@H+]1CCCC12CCCC2	307710781	572776990	/nfs/dbraw/zinc/77/69/90/572776990.db2.gz	RAGOEYDQADMJQO-UHFFFAOYSA-N	1	0	199.725	3.148	10	30		AGEERO
C=CCC[C@@H]1CCCC[C@@H]1C[NH2+]CC	87961239	572777741	/nfs/dbraw/zinc/77/77/41/572777741.db2.gz	HJKFUYVZFUUUNL-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@H]1CCCC[C@H]1C[NH2+]CC	87961203	572777770	/nfs/dbraw/zinc/77/77/70/572777770.db2.gz	JNLNTFCVPYFBHL-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@H]1CCCC[C@@H]1C[NH2+]C(C)C	87961549	572777859	/nfs/dbraw/zinc/77/78/59/572777859.db2.gz	MQYKNLLMIJYKKF-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
CCC#C[C@H](C)[NH2+][C@@H](C)C(CC)CC	308620175	573559573	/nfs/dbraw/zinc/55/95/73/573559573.db2.gz	SSVWVSDXLIUVSN-RYUDHWBXSA-N	1	0	195.350	3.203	10	30		AGEERO
CCC#C[C@H](C)[NH2+][C@H](C)C(CC)CC	308620174	573559763	/nfs/dbraw/zinc/55/97/63/573559763.db2.gz	SSVWVSDXLIUVSN-NWDGAFQWSA-N	1	0	195.350	3.203	10	30		AGEERO
C=C(C)C[C@@H]1CCCCC[C@H]1C[NH2+]C	87962768	572779083	/nfs/dbraw/zinc/77/90/83/572779083.db2.gz	ZKQZARVHEVFJOS-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C/C=C(\C)CCCC[NH3+]	307937068	572798147	/nfs/dbraw/zinc/79/81/47/572798147.db2.gz	AAOZTDIJXRLKGU-DHZHZOJOSA-N	1	0	167.296	3.028	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)C1(CCC)CC1	308148667	572839772	/nfs/dbraw/zinc/83/97/72/572839772.db2.gz	PLGIZNFWSNOADL-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[N@@H+](CC(C)C)[C@@H](C)C(C)C	308142044	572827983	/nfs/dbraw/zinc/82/79/83/572827983.db2.gz	JHIFKTHVPLIHRC-LBPRGKRZSA-N	1	0	183.339	3.175	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C(C)C	308150450	572844353	/nfs/dbraw/zinc/84/43/53/572844353.db2.gz	OAQUZZJDZDXFDY-SDDRHHMPSA-N	1	0	183.339	3.221	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)c1ccc(F)cc1	86024569	572845001	/nfs/dbraw/zinc/84/50/01/572845001.db2.gz	QHAWFKNMPQUCEH-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1ccc(C)cc1	86060696	572851529	/nfs/dbraw/zinc/85/15/29/572851529.db2.gz	ADXKRAVODOBBKX-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)C[NH2+][C@H](CC)[C@H](C)CCC	308174724	572898364	/nfs/dbraw/zinc/89/83/64/572898364.db2.gz	CWNPOXNQQJSKKV-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=Cc1ccc([C@H]2CC[C@@H](C=C)[NH2+]2)cc1	238114027	572937821	/nfs/dbraw/zinc/93/78/21/572937821.db2.gz	GBVBOAVWSTVUSJ-ZIAGYGMSSA-N	1	0	199.297	3.309	10	30		AGEERO
C=CC[C@H]([NH2+]C(C)(C)C)[Si](C)(C)C	238109962	572937723	/nfs/dbraw/zinc/93/77/23/572937723.db2.gz	BYKYKXKOAWKYSY-SNVBAGLBSA-N	1	0	199.414	3.197	10	30		AGEERO
C=Cc1ccccc1[C@H]1CC[C@H](C=C)[NH2+]1	238127008	572937732	/nfs/dbraw/zinc/93/77/32/572937732.db2.gz	BUUUXNUVYXJURY-GXTWGEPZSA-N	1	0	199.297	3.309	10	30		AGEERO
CCC(CC)[N@H+](CC(C)C)[C@H](C)C#N	86453470	572940468	/nfs/dbraw/zinc/94/04/68/572940468.db2.gz	GJDZRGZNTYRXET-LLVKDONJSA-N	1	0	196.338	3.045	10	30		AGEERO
C=CCCC[C@H](C)Nc1cc[nH+]cc1	308639090	573585486	/nfs/dbraw/zinc/58/54/86/573585486.db2.gz	DFNKSEYWMKVICO-NSHDSACASA-N	1	0	190.290	3.238	10	30		AGEERO
C=CCCC[C@@H](C)[NH2+]CC=C(C)C	308222505	573014642	/nfs/dbraw/zinc/01/46/42/573014642.db2.gz	CSQGTEVUANAQEV-GFCCVEGCSA-N	1	0	181.323	3.287	10	30		AGEERO
C=C(C)[C@H]1CC[C@@]2(C)CCC[NH2+][C@@H]2C1	197975476	573027527	/nfs/dbraw/zinc/02/75/27/573027527.db2.gz	CHVZEYTXBKVLGR-YNEHKIRRSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H](C[NH2+]C)[C@@H](C)CC(C)C	386649597	573028665	/nfs/dbraw/zinc/02/86/65/573028665.db2.gz	KFNPASDYRNLYHG-RYUDHWBXSA-N	1	0	183.339	3.080	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@H](CC)[C@H]1C	308249750	573051329	/nfs/dbraw/zinc/05/13/29/573051329.db2.gz	ARUKQHBADRGGOS-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)CCC=C(C)C	308250143	573051706	/nfs/dbraw/zinc/05/17/06/573051706.db2.gz	HBOPYHKDAYPWPS-GFCCVEGCSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CC[C@H]([NH2+]C)c1cc(C)cc(C)c1	128530407	573057847	/nfs/dbraw/zinc/05/78/47/573057847.db2.gz	CFJKYMMKJQTKIU-ZDUSSCGKSA-N	1	0	189.302	3.140	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[N@@H+](CC)C1CC1	308488043	573058219	/nfs/dbraw/zinc/05/82/19/573058219.db2.gz	PXIKFMZOOJOIQV-GHMZBOCLSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@H](C)C1CCCC1	308258861	573088197	/nfs/dbraw/zinc/08/81/97/573088197.db2.gz	MJTPORXRDCQTHA-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H]1CCC[C@@H]1[NH2+]CCC1CC1	308500257	573091305	/nfs/dbraw/zinc/09/13/05/573091305.db2.gz	GEBLHNCTCXKFFB-STQMWFEESA-N	1	0	193.334	3.121	10	30		AGEERO
CCCCCCC[NH2+]CCCCC#N	308500595	573092644	/nfs/dbraw/zinc/09/26/44/573092644.db2.gz	GKROGKDRJKHDBW-UHFFFAOYSA-N	1	0	196.338	3.240	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)[C@H](C)CCC	128748968	573121454	/nfs/dbraw/zinc/12/14/54/573121454.db2.gz	VKTRHAREERBFRW-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1cc(C)oc1C	128842662	573122322	/nfs/dbraw/zinc/12/23/22/573122322.db2.gz	HJAHAPVLQVCYMO-LBPRGKRZSA-N	1	0	193.290	3.253	10	30		AGEERO
C=CCCC[C@@H](C[C@@H](C)CC)[NH2+]C	128815559	573135049	/nfs/dbraw/zinc/13/50/49/573135049.db2.gz	BXOHDNORUACQOU-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[N@@H+](CC)Cc1ccc(C)s1	308234236	573137699	/nfs/dbraw/zinc/13/76/99/573137699.db2.gz	QEACBHJWVKASRD-UHFFFAOYSA-N	1	0	195.331	3.064	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[N@@H+]1CCC1(C)C	308280786	573137782	/nfs/dbraw/zinc/13/77/82/573137782.db2.gz	WWMHXLYSCLEBHC-GHMZBOCLSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)C(C)(C)CC	128782240	573137833	/nfs/dbraw/zinc/13/78/33/573137833.db2.gz	QASKTUXTFNJDMI-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[NH2+]CCCC1CCCCC1	308281237	573137834	/nfs/dbraw/zinc/13/78/34/573137834.db2.gz	XWPZOQAPSNLWFY-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC)c1ccc(C)o1	129048942	573211642	/nfs/dbraw/zinc/21/16/42/573211642.db2.gz	ZOUZSSRNNRDUII-LLVKDONJSA-N	1	0	193.290	3.205	10	30		AGEERO
C=CCC[C@H]([NH3+])CCCCCC	129047609	573211671	/nfs/dbraw/zinc/21/16/71/573211671.db2.gz	VPUVBNZEJPOUMA-NSHDSACASA-N	1	0	169.312	3.250	10	30		AGEERO
C=C[C@H](C)ON[C@@H](C)CC1CCCC1	689840117	573211925	/nfs/dbraw/zinc/21/19/25/573211925.db2.gz	TYSIGGYMQPTVSR-QWRGUYRKSA-N	1	0	197.322	3.051	10	30		AGEERO
C=CCC[C@@H]([NH3+])C1(CC)CCCC1	129063005	573215258	/nfs/dbraw/zinc/21/52/58/573215258.db2.gz	UAHQNGZTBGALTQ-LLVKDONJSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)c1coc(C)c1	129065270	573215412	/nfs/dbraw/zinc/21/54/12/573215412.db2.gz	WFGQSIIJQKPPAR-LBPRGKRZSA-N	1	0	193.290	3.205	10	30		AGEERO
C=CC/C(C)=C1\CCC[C@H](C[NH3+])C1	642878759	573215493	/nfs/dbraw/zinc/21/54/93/573215493.db2.gz	VKHJZFCRGJLAAU-OCUQMRJBSA-N	1	0	179.307	3.028	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1ccccc1CC	129092639	573222507	/nfs/dbraw/zinc/22/25/07/573222507.db2.gz	BQUGQWDTSWIDOJ-CYBMUJFWSA-N	1	0	189.302	3.215	10	30		AGEERO
CC[C@H](C)c1ccc([C@@H]([NH3+])S)cc1	259603791	573222512	/nfs/dbraw/zinc/22/25/12/573222512.db2.gz	XEVLOSCSNLZHSY-KWQFWETISA-N	1	0	195.331	3.087	10	30		AGEERO
C=CCC[C@H]([NH3+])c1ccccc1CC	129092858	573222752	/nfs/dbraw/zinc/22/27/52/573222752.db2.gz	BQUGQWDTSWIDOJ-ZDUSSCGKSA-N	1	0	189.302	3.215	10	30		AGEERO
C=CCCC[N@H+](C1CC1)[C@@H](C)CC	308312263	573228945	/nfs/dbraw/zinc/22/89/45/573228945.db2.gz	SEOLSPJYPZSLHC-NSHDSACASA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCC[C@@H]([NH2+]CCC)[C@@H](C)C1CC1	129138228	573236332	/nfs/dbraw/zinc/23/63/32/573236332.db2.gz	HIIAQGWHZAWSBN-WCQYABFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCC[C@@H]1CCCF	308524227	573250212	/nfs/dbraw/zinc/25/02/12/573250212.db2.gz	QHNWVVQYBFWPBP-NEPJUHHUSA-N	1	0	199.313	3.071	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCC[C@H]1CCCF	308524231	573250464	/nfs/dbraw/zinc/25/04/64/573250464.db2.gz	QHNWVVQYBFWPBP-RYUDHWBXSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1	308524236	573250577	/nfs/dbraw/zinc/25/05/77/573250577.db2.gz	QHPZDKWLLRGLMY-UPJWGTAASA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH3+])CC(C)(C)CC	715731765	573250684	/nfs/dbraw/zinc/25/06/84/573250684.db2.gz	ICHFEDSRCJPAIG-GHMZBOCLSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)c1cccc(CCCC[NH3+])c1	257981504	573259197	/nfs/dbraw/zinc/25/91/97/573259197.db2.gz	DSXQGGVXPTZPGW-UHFFFAOYSA-N	1	0	189.302	3.001	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[C@H](C)[NH2+]C(C)C	715755570	573277555	/nfs/dbraw/zinc/27/75/55/573277555.db2.gz	YHGROHONWJRJNF-TUAOUCFPSA-N	1	0	183.339	3.221	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CC1	308647096	573601876	/nfs/dbraw/zinc/60/18/76/573601876.db2.gz	IEXWSGPBJNZJEO-UHTWSYAYSA-N	1	0	193.334	3.119	10	30		AGEERO
CC#CC[NH2+][C@@H](CC(C)C)C(C)(C)C	308548769	573322717	/nfs/dbraw/zinc/32/27/17/573322717.db2.gz	WNJIDWOCIMBQJR-LBPRGKRZSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C[C@H](C)[NH2+]C(C)(C)c1cccs1	393584685	573333911	/nfs/dbraw/zinc/33/39/11/573333911.db2.gz	OOLSAYLDHHGMMT-VIFPVBQESA-N	1	0	195.331	3.147	10	30		AGEERO
C=CC[N@@H+](CCCC)C1CCCC1	308368499	573363329	/nfs/dbraw/zinc/36/33/29/573363329.db2.gz	PCCPWYLZPMYWGS-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C[C@H](C)[C@]1(C[NH3+])CCC[C@H](CC)C1	308563342	573363559	/nfs/dbraw/zinc/36/35/59/573363559.db2.gz	XGEWFCLXKFGFQE-RWMBFGLXSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH3+])c1ccccc1F	715787365	573382058	/nfs/dbraw/zinc/38/20/58/573382058.db2.gz	WDPKQKXKTLEVSD-SKDRFNHKSA-N	1	0	193.265	3.038	10	30		AGEERO
C=CCC[C@H]([NH2+][C@H]1C[C@H]1CC)C1CC1	308568347	573382149	/nfs/dbraw/zinc/38/21/49/573382149.db2.gz	BICCKRYTFIYNTD-WXHSDQCUSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H]([NH2+][C@@H]1C[C@@H]1CC)C1CC1	308568339	573383005	/nfs/dbraw/zinc/38/30/05/573383005.db2.gz	BICCKRYTFIYNTD-WCFLWFBJSA-N	1	0	193.334	3.119	10	30		AGEERO
C=C[C@H](C)[N@@H+]1CCC[C@H](CCC)C1	308385260	573409563	/nfs/dbraw/zinc/40/95/63/573409563.db2.gz	WMXQFYZTCKUTMD-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
CCCCCCCC[C@@H](C)C[NH3+]	107214218	573410870	/nfs/dbraw/zinc/41/08/70/573410870.db2.gz	UBNMBCYYNQXAPW-LLVKDONJSA-N	1	0	171.328	3.332	10	30		AGEERO
C=C[C@@H](C)[N@@H+]1CCC[C@@H](CCC)C1	308385261	573410782	/nfs/dbraw/zinc/41/07/82/573410782.db2.gz	WMXQFYZTCKUTMD-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C/C=C(\C)C[C@H]1CCCC[NH2+]1	308387076	573417919	/nfs/dbraw/zinc/41/79/19/573417919.db2.gz	MLWPNWBMRBDMAB-YQCJOKCJSA-N	1	0	193.334	3.431	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+]1CC[C@@H](CC)C1	308381221	573421452	/nfs/dbraw/zinc/42/14/52/573421452.db2.gz	UTPUFPQSERNSNI-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+]1CC[C@H](CC)C1	308381217	573422116	/nfs/dbraw/zinc/42/21/16/573422116.db2.gz	UTPUFPQSERNSNI-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
CCCCCC/C=C/CC[NH2+]C	118812188	573430153	/nfs/dbraw/zinc/43/01/53/573430153.db2.gz	BLXGCUUCWIYPFY-CMDGGOBGSA-N	1	0	169.312	3.123	10	30		AGEERO
CC#CCC[NH2+][C@H](C)[C@H](C)CCCC	308590868	573453832	/nfs/dbraw/zinc/45/38/32/573453832.db2.gz	KGVVNJHGMAHZTQ-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])CCCCCC	715813965	573461360	/nfs/dbraw/zinc/46/13/60/573461360.db2.gz	PNEIDWMFVOMTNE-RYUDHWBXSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])C1C(C)(C)C1(C)C	715816124	573467671	/nfs/dbraw/zinc/46/76/71/573467671.db2.gz	VJYMNRJWOPUFBK-VHSXEESVSA-N	1	0	195.350	3.208	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH3+])c1ccc(CC)o1	715818072	573467705	/nfs/dbraw/zinc/46/77/05/573467705.db2.gz	XDAGFCUVULSOJJ-BXKDBHETSA-N	1	0	193.290	3.054	10	30		AGEERO
Cc1ccc(C(C)C)cc1[C@@H]([NH3+])S	259463615	573467761	/nfs/dbraw/zinc/46/77/61/573467761.db2.gz	OTHNFUYEVBKFMC-NSHDSACASA-N	1	0	195.331	3.006	10	30		AGEERO
C#C[C@@H]([NH2+]CCC)[C@H](CC)CCCC	130094444	573467346	/nfs/dbraw/zinc/46/73/46/573467346.db2.gz	RZQOGIXNFGKXGU-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])c1ccc(CC)o1	715818073	573467851	/nfs/dbraw/zinc/46/78/51/573467851.db2.gz	XDAGFCUVULSOJJ-CABZTGNLSA-N	1	0	193.290	3.054	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])c1ccc(CC)o1	715818074	573467594	/nfs/dbraw/zinc/46/75/94/573467594.db2.gz	XDAGFCUVULSOJJ-JOYOIKCWSA-N	1	0	193.290	3.054	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])c1ccoc1CC	715818110	573472325	/nfs/dbraw/zinc/47/23/25/573472325.db2.gz	XZNLGDSPIXDDIW-JOYOIKCWSA-N	1	0	193.290	3.054	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)c1ccc(CC)o1	308597002	573480774	/nfs/dbraw/zinc/48/07/74/573480774.db2.gz	MWXQIYWEVWYUAQ-SNVBAGLBSA-N	1	0	193.290	3.069	10	30		AGEERO
C#C[C@@H](CCCCCCC)[NH2+]CCC	130152692	573481155	/nfs/dbraw/zinc/48/11/55/573481155.db2.gz	IBBSUMYWZMBELV-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
CCCCCCC/C(=C\F)C[NH3+]	142984546	573483998	/nfs/dbraw/zinc/48/39/98/573483998.db2.gz	HTFREBGZJTUSBC-CSKARUKUSA-N	1	0	173.275	3.159	10	30		AGEERO
C#C[C@@H](C[C@H](C)C(C)(C)C)[NH2+]CCC	130249710	573503023	/nfs/dbraw/zinc/50/30/23/573503023.db2.gz	XZIFIXSRTAERHP-RYUDHWBXSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(CC)C[C@]1(C[NH3+])CC[C@@H](CC)C1	393666792	573514516	/nfs/dbraw/zinc/51/45/16/573514516.db2.gz	LMXFQCXZOMEYLN-CHWSQXEVSA-N	1	0	195.350	3.498	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H]1CCC	308611932	573522541	/nfs/dbraw/zinc/52/25/41/573522541.db2.gz	QYWYOMZGHQYXJB-ZDEQEGDKSA-N	1	0	195.350	3.365	10	30		AGEERO
C[C@@H](/[NH+]=C\c1ccc[nH]1)c1ccccc1	308614303	573523834	/nfs/dbraw/zinc/52/38/34/573523834.db2.gz	SAEJGMYKKAITSQ-MKVLZVNKSA-N	1	0	198.269	3.195	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]1CCC	308611930	573527092	/nfs/dbraw/zinc/52/70/92/573527092.db2.gz	QYWYOMZGHQYXJB-RVMXOQNASA-N	1	0	195.350	3.365	10	30		AGEERO
C[C@H](/[NH+]=C/c1ccc[nH]1)c1ccccc1	308614300	573526477	/nfs/dbraw/zinc/52/64/77/573526477.db2.gz	SAEJGMYKKAITSQ-KBVGCWLLSA-N	1	0	198.269	3.195	10	30		AGEERO
C#C[C@@H]([NH2+]CC(C)(C)CC)C(C)(C)C	308614765	573542493	/nfs/dbraw/zinc/54/24/93/573542493.db2.gz	ROEGPVODZBVNNF-LLVKDONJSA-N	1	0	195.350	3.060	10	30		AGEERO
CCC#C[C@@H](C)[NH2+][C@H](C)C(CC)CC	308620176	573555888	/nfs/dbraw/zinc/55/58/88/573555888.db2.gz	SSVWVSDXLIUVSN-VXGBXAGGSA-N	1	0	195.350	3.203	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C1(C)CC1	308645338	573596938	/nfs/dbraw/zinc/59/69/38/573596938.db2.gz	HFHPOXUNLXQLJD-QJPTWQEYSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1ccc(CC)o1	130591994	573611070	/nfs/dbraw/zinc/61/10/70/573611070.db2.gz	MPDYSLBBHSCZFJ-LLVKDONJSA-N	1	0	193.290	3.069	10	30		AGEERO
C=C[C@@H](CC1CCCC1)[NH2+]CCC	130610579	573612934	/nfs/dbraw/zinc/61/29/34/573612934.db2.gz	MQOIXLPCFCZVDJ-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@@H]([NH2+]CC)C1(CC)CCCC1	130601005	573613376	/nfs/dbraw/zinc/61/33/76/573613376.db2.gz	RGBZTJGCRXOSNW-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H]([NH2+]CCC)c1ccc(CC)o1	130591771	573615717	/nfs/dbraw/zinc/61/57/17/573615717.db2.gz	MPDYSLBBHSCZFJ-NSHDSACASA-N	1	0	193.290	3.069	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C1CC1	308659415	573621502	/nfs/dbraw/zinc/62/15/02/573621502.db2.gz	PKHMPCQIUOSMBK-CYZMBNFOSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)C1CC1	308659430	573621570	/nfs/dbraw/zinc/62/15/70/573621570.db2.gz	PKTQAQBYTNXEQS-SRVKXCTJSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1sccc1C	130546206	573625457	/nfs/dbraw/zinc/62/54/57/573625457.db2.gz	AVCDMZSXHIWLGE-SNVBAGLBSA-N	1	0	195.331	3.283	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C	308650137	573625901	/nfs/dbraw/zinc/62/59/01/573625901.db2.gz	JWCLOUJATXRCDE-CYDGBPFRSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H](C)c1ccco1	126682151	573627595	/nfs/dbraw/zinc/62/75/95/573627595.db2.gz	RCYMWBUAGRPQNR-GHMZBOCLSA-N	1	0	193.290	3.285	10	30		AGEERO
C=CC[C@H]([NH3+])c1coc2ccccc12	96554480	573628420	/nfs/dbraw/zinc/62/84/20/573628420.db2.gz	NNSWXDXEHMDVSK-NSHDSACASA-N	1	0	187.242	3.009	10	30		AGEERO
C=C[C@H]([NH2+]CCC)c1sccc1C	130546012	573628603	/nfs/dbraw/zinc/62/86/03/573628603.db2.gz	AVCDMZSXHIWLGE-JTQLQIEISA-N	1	0	195.331	3.283	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C	308650140	573629753	/nfs/dbraw/zinc/62/97/53/573629753.db2.gz	JWCLOUJATXRCDE-ZDEQEGDKSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H](C)c1ccco1	126681932	573630094	/nfs/dbraw/zinc/63/00/94/573630094.db2.gz	RCYMWBUAGRPQNR-WDEREUQCSA-N	1	0	193.290	3.285	10	30		AGEERO
C=CC[NH2+][C@H](C)[C@H](C)C1CCCCC1	308650628	573632053	/nfs/dbraw/zinc/63/20/53/573632053.db2.gz	KEXGVTPMPBWEST-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@H](C)[C@@H](C)C1CCCCC1	308650630	573631952	/nfs/dbraw/zinc/63/19/52/573631952.db2.gz	KEXGVTPMPBWEST-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@@H](C)[C@H](C)C1CCCCC1	308650629	573634683	/nfs/dbraw/zinc/63/46/83/573634683.db2.gz	KEXGVTPMPBWEST-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H]([NH2+]CCC)c1cc(C)oc1C	130553444	573634932	/nfs/dbraw/zinc/63/49/32/573634932.db2.gz	IVJUEOFZMAMLNX-LBPRGKRZSA-N	1	0	193.290	3.123	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+](C)CCCC	393544340	573634962	/nfs/dbraw/zinc/63/49/62/573634962.db2.gz	FCXZLBMZDMXNBD-LBPRGKRZSA-N	1	0	183.339	3.463	10	30		AGEERO
C#CC[C@H](C)[NH2+][C@@H](C)CCC=C(C)C	308652567	573637203	/nfs/dbraw/zinc/63/72/03/573637203.db2.gz	LRCBCSIICQKIFO-STQMWFEESA-N	1	0	193.334	3.123	10	30		AGEERO
C#CC[C@@H](C)[NH2+][C@H](C)CCC=C(C)C	308652562	573637798	/nfs/dbraw/zinc/63/77/98/573637798.db2.gz	LRCBCSIICQKIFO-CHWSQXEVSA-N	1	0	193.334	3.123	10	30		AGEERO
C/C(=C\C#CC(C)(C)C)CCCC[NH3+]	308651132	573640749	/nfs/dbraw/zinc/64/07/49/573640749.db2.gz	KDPPRMQJUDLHHX-FMIVXFBMSA-N	1	0	193.334	3.111	10	30		AGEERO
C=C[C@H](C[C@H](C)CC(C)(C)C)[NH2+]C	130681389	573643587	/nfs/dbraw/zinc/64/35/87/573643587.db2.gz	QMPRPMRPBJFWRV-WDEREUQCSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C[C@H]([NH2+]CC)C(CCC)CCC	130673897	573643071	/nfs/dbraw/zinc/64/30/71/573643071.db2.gz	BWXFFIVCSWRXOE-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCCC[C@@H](C)[NH2+]CC#CC	308658229	573651536	/nfs/dbraw/zinc/65/15/36/573651536.db2.gz	OYTYUHXOAFMYOL-CYBMUJFWSA-N	1	0	193.334	3.124	10	30		AGEERO
CC[C@@H](CC#N)[N@H+](CC)CC(C)(C)C	308656222	573652138	/nfs/dbraw/zinc/65/21/38/573652138.db2.gz	NPOQMRZAGOJYMJ-NSHDSACASA-N	1	0	196.338	3.047	10	30		AGEERO
C=C(C)c1cccc([C@@H](C)CC[NH3+])c1	258080657	573653107	/nfs/dbraw/zinc/65/31/07/573653107.db2.gz	NBGDEGBSIWJBCF-NSHDSACASA-N	1	0	189.302	3.172	10	30		AGEERO
C=C(C)c1cccc([C@H](C)CC[NH3+])c1	258080656	573653167	/nfs/dbraw/zinc/65/31/67/573653167.db2.gz	NBGDEGBSIWJBCF-LLVKDONJSA-N	1	0	189.302	3.172	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1cc(C)cc(C)c1	130704996	573655468	/nfs/dbraw/zinc/65/54/68/573655468.db2.gz	QCWCMKNNCFVHGP-ZDUSSCGKSA-N	1	0	189.302	3.140	10	30		AGEERO
CCC[N@H+](CCCCC#N)C(C)(C)C	308413136	573678564	/nfs/dbraw/zinc/67/85/64/573678564.db2.gz	IQRCQVHZCJHXIK-UHFFFAOYSA-N	1	0	196.338	3.191	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)C(CC)CC	130839324	573681594	/nfs/dbraw/zinc/68/15/94/573681594.db2.gz	NTBNZVAGAWETLJ-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])CC1CCCCC1	130816417	573681790	/nfs/dbraw/zinc/68/17/90/573681790.db2.gz	QBQPJVAIZVIHCK-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[NH2+][C@H](C)[C@H]1CCC[C@H](C)C1	308674302	573685426	/nfs/dbraw/zinc/68/54/26/573685426.db2.gz	VTQPHRBSDFRTQD-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1C=CCCC1	393548675	573685575	/nfs/dbraw/zinc/68/55/75/573685575.db2.gz	MHUKVQFGGCYIKA-NWDGAFQWSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@H]1CCC[C@H]1[NH2+]C1CC(C)C1	308671270	573685700	/nfs/dbraw/zinc/68/57/00/573685700.db2.gz	VEJDIWALUKQPML-PYNQCMFNSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+]C1CC(C)C1	308671266	573685906	/nfs/dbraw/zinc/68/59/06/573685906.db2.gz	VEJDIWALUKQPML-KPFVRQRISA-N	1	0	193.334	3.119	10	30		AGEERO
C#CCCC[C@@H](C)CC[NH2+]CC(C)C	163726551	573687380	/nfs/dbraw/zinc/68/73/80/573687380.db2.gz	PDVPNZHZHGYHON-CYBMUJFWSA-N	1	0	195.350	3.062	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1cc(C)oc1C	130845890	573690512	/nfs/dbraw/zinc/69/05/12/573690512.db2.gz	QPAITINKVSAQAJ-LBPRGKRZSA-N	1	0	193.290	3.123	10	30		AGEERO
C=CC/[NH+]=C\c1[nH]c2ccccc2c1C	308678651	573690994	/nfs/dbraw/zinc/69/09/94/573690994.db2.gz	IONUHFQYRLYMCL-ZROIWOOFSA-N	1	0	198.269	3.081	10	30		AGEERO
C=CCC[C@H]([NH2+]C)C1(CCC)CC1	393550689	573692022	/nfs/dbraw/zinc/69/20/22/573692022.db2.gz	QLNCFIREFJBOKT-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C#CCCC[C@H](C)[C@@H](C)C[NH2+]C(C)C	163728277	573693236	/nfs/dbraw/zinc/69/32/36/573693236.db2.gz	DPGUSZWPMAXLEH-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(C)C	308683273	573702506	/nfs/dbraw/zinc/70/25/06/573702506.db2.gz	YKXBUIJUCOUSTG-JHJVBQTASA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@H]1CCCC(C)(C)C1	308685602	573703790	/nfs/dbraw/zinc/70/37/90/573703790.db2.gz	ZIDROLSLIPIBLL-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H](C)[NH2+]C[C@H]1CCCC(C)(C)C1	308685598	573703871	/nfs/dbraw/zinc/70/38/71/573703871.db2.gz	ZIDROLSLIPIBLL-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[N@@H+]([C@@H](C)CC)[C@H](C)C(C)C	393552023	573704101	/nfs/dbraw/zinc/70/41/01/573704101.db2.gz	SQHOOTFEBKSAOO-NWDGAFQWSA-N	1	0	183.339	3.317	10	30		AGEERO
C=C[C@H]([C@@H]([NH2+]C)C(C)C)[Si](C)(C)C	238314398	573704217	/nfs/dbraw/zinc/70/42/17/573704217.db2.gz	OSBALRXHBBRVJI-MNOVXSKESA-N	1	0	199.414	3.125	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)[C@H](C)CCC	130953339	573713471	/nfs/dbraw/zinc/71/34/71/573713471.db2.gz	NJEHVKJNOYVEPR-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1sccc1C	130947253	573713591	/nfs/dbraw/zinc/71/35/91/573713591.db2.gz	IPVSAXRLXSRHNM-JTQLQIEISA-N	1	0	195.331	3.283	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1ccccc1CC	130943464	573713767	/nfs/dbraw/zinc/71/37/67/573713767.db2.gz	DQTVYSMYNKYUAU-ZDUSSCGKSA-N	1	0	189.302	3.215	10	30		AGEERO
C=C(C)C[C@H]([NH3+])C[C@H](C)C(C)(C)C	130882017	573719517	/nfs/dbraw/zinc/71/95/17/573719517.db2.gz	IHTFGKTVOCMNKA-QWRGUYRKSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)[C@@H](C)CCC	130953594	573718819	/nfs/dbraw/zinc/71/88/19/573718819.db2.gz	NJEHVKJNOYVEPR-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH3+])CCCCCC	130900226	573720794	/nfs/dbraw/zinc/72/07/94/573720794.db2.gz	ZFKTWXWRQFKILH-LLVKDONJSA-N	1	0	169.312	3.250	10	30		AGEERO
CCCCCCCCNC(=[NH2+])C1CC1	126936120	573727763	/nfs/dbraw/zinc/72/77/63/573727763.db2.gz	MWHHRZNZQAQXRH-UHFFFAOYSA-N	1	0	196.338	3.324	10	30		AGEERO
CCCCCCCCNC(=[NH2+])CC	126935909	573727902	/nfs/dbraw/zinc/72/79/02/573727902.db2.gz	ASMSWJGAZYWIIV-UHFFFAOYSA-N	1	0	184.327	3.324	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CC[C@H](CC)C1	126891933	573738683	/nfs/dbraw/zinc/73/86/83/573738683.db2.gz	LMZHPOFDFAYYBY-SRVKXCTJSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C(C)C1CC(C)(C)[NH2+]C(C)(C)C1	238073761	573738754	/nfs/dbraw/zinc/73/87/54/573738754.db2.gz	KKXCKCSYDIDGEX-UHFFFAOYSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C(C)C[C@H]([NH3+])CCC1CCCC1	130936410	573738874	/nfs/dbraw/zinc/73/88/74/573738874.db2.gz	MDEBWKDGPBFCDF-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
CCCCCCCCC(=O)CCC[NH3+]	168104104	573742692	/nfs/dbraw/zinc/74/26/92/573742692.db2.gz	KWECTBPFJISCIT-UHFFFAOYSA-N	1	0	199.338	3.045	10	30		AGEERO
C=C[C@H]([NH3+])c1cc(C)c(Cl)c(C)c1	238508392	573763777	/nfs/dbraw/zinc/76/37/77/573763777.db2.gz	KJMJLJOXTJALOD-JTQLQIEISA-N	1	0	195.693	3.143	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CCC)[C@@H](C)C1CC1	130987637	573764015	/nfs/dbraw/zinc/76/40/15/573764015.db2.gz	AJSIKGVWTWSORT-WCQYABFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)C1(C)CCCC1	130986284	573764318	/nfs/dbraw/zinc/76/43/18/573764318.db2.gz	DOSXKLXUSSDATB-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC#N	308713986	573767147	/nfs/dbraw/zinc/76/71/47/573767147.db2.gz	AIADBUUGVCIRCN-SDDRHHMPSA-N	1	0	196.338	3.093	10	30		AGEERO
CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)CC#N	308713998	573767863	/nfs/dbraw/zinc/76/78/63/573767863.db2.gz	AIADBUUGVCIRCN-TUAOUCFPSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CC[C@H]1CC[C@@H](c2ccccc2)[NH2+]1	238097134	573770578	/nfs/dbraw/zinc/77/05/78/573770578.db2.gz	UBWJFZGQOXLYPE-STQMWFEESA-N	1	0	187.286	3.056	10	30		AGEERO
C=CC[C@H]1CC[C@H](c2ccccc2)[NH2+]1	238097203	573770735	/nfs/dbraw/zinc/77/07/35/573770735.db2.gz	UBWJFZGQOXLYPE-QWHCGFSZSA-N	1	0	187.286	3.056	10	30		AGEERO
CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC#N	308713992	573771060	/nfs/dbraw/zinc/77/10/60/573771060.db2.gz	AIADBUUGVCIRCN-SRVKXCTJSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]C(CC)CC	308434870	573772423	/nfs/dbraw/zinc/77/24/23/573772423.db2.gz	VQIRKCCSMLJMHM-WDEREUQCSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)CC	308714209	573774812	/nfs/dbraw/zinc/77/48/12/573774812.db2.gz	ANHPVDFHLHNFFS-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@H]([NH3+])CC1CC1	127165851	573781824	/nfs/dbraw/zinc/78/18/24/573781824.db2.gz	LEAUJQSEJRNFHC-LBPRGKRZSA-N	1	0	183.339	3.474	10	30		AGEERO
C=C(CCC)[NH2+]C1CCCCC1	100280608	573787050	/nfs/dbraw/zinc/78/70/50/573787050.db2.gz	RTZLNCPGJWOAMC-UHFFFAOYSA-N	1	0	167.296	3.223	10	30		AGEERO
C=CC1([NH2+]C(C)(C)C)CCCCC1	238102872	573793471	/nfs/dbraw/zinc/79/34/71/573793471.db2.gz	HCRMWGVBWZDCTG-UHFFFAOYSA-N	1	0	181.323	3.263	10	30		AGEERO
CC#CCCCC[NH2+]CCCCCC	308726693	573793537	/nfs/dbraw/zinc/79/35/37/573793537.db2.gz	GVTBPNLPCFZOGQ-UHFFFAOYSA-N	1	0	195.350	3.350	10	30		AGEERO
C=C(C)C[C@H]1CC(C)=CCCC[NH2+]1	238103452	573794015	/nfs/dbraw/zinc/79/40/15/573794015.db2.gz	XSXRNHINOTZBRV-LBPRGKRZSA-N	1	0	179.307	3.041	10	30		AGEERO
C=C(C)[C@H]([NH3+])C[C@@H](C)CC(C)(C)C	131234817	573794023	/nfs/dbraw/zinc/79/40/23/573794023.db2.gz	CSQLDPPADFGROR-GHMZBOCLSA-N	1	0	183.339	3.352	10	30		AGEERO
Cc1ccc(NC=[NH+]C(C)(C)C)cc1	238515182	573798963	/nfs/dbraw/zinc/79/89/63/573798963.db2.gz	QDWHCBYKLVPJQD-UHFFFAOYSA-N	1	0	190.290	3.234	10	30		AGEERO
CCCC[C@@H](CC)CC[NH2+]CCC#N	308745420	573799049	/nfs/dbraw/zinc/79/90/49/573799049.db2.gz	RAPBMSBNOKHSPE-GFCCVEGCSA-N	1	0	196.338	3.096	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1CC	308745300	573800379	/nfs/dbraw/zinc/80/03/79/573800379.db2.gz	QYPGOJQHCWHGQV-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1CC	308745303	573801105	/nfs/dbraw/zinc/80/11/05/573801105.db2.gz	QYPGOJQHCWHGQV-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH3+])[C@@H](CC)CCCC	131245858	573801111	/nfs/dbraw/zinc/80/11/11/573801111.db2.gz	YNSASGYFVHNUIZ-WDEREUQCSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@@H](CC)CCCC	131246305	573801183	/nfs/dbraw/zinc/80/11/83/573801183.db2.gz	YNSASGYFVHNUIZ-QWRGUYRKSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)[C@@H]([NH3+])[C@H](CC)CCCC	131245679	573802384	/nfs/dbraw/zinc/80/23/84/573802384.db2.gz	YNSASGYFVHNUIZ-GHMZBOCLSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)[C@H](C)C(C)C	131262325	573809667	/nfs/dbraw/zinc/80/96/67/573809667.db2.gz	DPPWWCCNTXCERV-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)c1sccc1C	131271311	573809828	/nfs/dbraw/zinc/80/98/28/573809828.db2.gz	QQKUDUHDIIANJI-SNVBAGLBSA-N	1	0	195.331	3.283	10	30		AGEERO
C=C(C)[C@@H](CCCCC)[NH2+]CC	131276430	573809929	/nfs/dbraw/zinc/80/99/29/573809929.db2.gz	FELJHLOJSHBKJM-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
CC#CCCCC[NH2+][C@@H](C)[C@H](C)CC	308751110	573822932	/nfs/dbraw/zinc/82/29/32/573822932.db2.gz	UQMDPVQKWKFBLE-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)[C@@H](C[C@H](C)CC)[NH2+]CCC	131404918	573827592	/nfs/dbraw/zinc/82/75/92/573827592.db2.gz	KEAHXFKBJKHNAQ-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[NH2+]CC(C)(C)C1=CCCC1	308766302	573834578	/nfs/dbraw/zinc/83/45/78/573834578.db2.gz	KMWYUJYLTWGHEX-UHFFFAOYSA-N	1	0	193.334	3.289	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)c1sccc1CC	131322750	573839139	/nfs/dbraw/zinc/83/91/39/573839139.db2.gz	CGGOYFXCFHINLU-SNVBAGLBSA-N	1	0	195.331	3.147	10	30		AGEERO
C#CCC[C@@H]([NH2+]C)C(C)(C)C(C)(C)C	308758780	573840037	/nfs/dbraw/zinc/84/00/37/573840037.db2.gz	XGAVUFXJRXOEAN-LLVKDONJSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(C)[C@@H]([NH3+])[C@H](CC)c1ccccc1	131372269	573861072	/nfs/dbraw/zinc/86/10/72/573861072.db2.gz	QNYIJKVLLICCFI-CHWSQXEVSA-N	1	0	189.302	3.084	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@@H](CC)c1ccccc1	131372482	573861089	/nfs/dbraw/zinc/86/10/89/573861089.db2.gz	QNYIJKVLLICCFI-STQMWFEESA-N	1	0	189.302	3.084	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)[C@H](C)CCC	131508990	573864253	/nfs/dbraw/zinc/86/42/53/573864253.db2.gz	QFBSLULKNUWZPL-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@H](C)[NH2+]C1(CC)CCCC1	715040738	573871131	/nfs/dbraw/zinc/87/11/31/573871131.db2.gz	SGWHLIHDNHXXTM-NSHDSACASA-N	1	0	181.323	3.263	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)c1coc(C)c1	131526473	573871413	/nfs/dbraw/zinc/87/14/13/573871413.db2.gz	ZOUBJPZXJFOLIF-GFCCVEGCSA-N	1	0	193.290	3.205	10	30		AGEERO
C=C(C)[C@@H]([NH3+])C(CCC)CCC	131436927	573871518	/nfs/dbraw/zinc/87/15/18/573871518.db2.gz	UANZSFFNYLPLPS-LLVKDONJSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)CC[C@H]([NH2+]CCC)[C@@H]1C[C@H]1C	253312879	573871613	/nfs/dbraw/zinc/87/16/13/573871613.db2.gz	WJJBKOLFSBCCFR-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC/C=C\CC[NH2+]C(C)(C)C	211837821	573875501	/nfs/dbraw/zinc/87/55/01/573875501.db2.gz	HHYMAUHPTBCTPP-HJWRWDBZSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CC[C@H](C)[NH2+]C(C)(C)CCC	715040337	573879271	/nfs/dbraw/zinc/87/92/71/573879271.db2.gz	RHARJWHXVBJLCX-JTQLQIEISA-N	1	0	169.312	3.119	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)[C@@H](C)CCC	131478531	573883287	/nfs/dbraw/zinc/88/32/87/573883287.db2.gz	AWMKXKABHJUCEB-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)c1ccc(C)s1	131470903	573883576	/nfs/dbraw/zinc/88/35/76/573883576.db2.gz	MJVBTZZJLZXHQS-NSHDSACASA-N	1	0	195.331	3.283	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)C1(C)CCCC1	131486111	573883585	/nfs/dbraw/zinc/88/35/85/573883585.db2.gz	GRCJSRRWMDIBRD-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)C(CC)CC	131609732	573893375	/nfs/dbraw/zinc/89/33/75/573893375.db2.gz	KDLZDNJWQREFJE-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])CCCCC	131629600	573893387	/nfs/dbraw/zinc/89/33/87/573893387.db2.gz	AJJXGHWXZRENGO-LLVKDONJSA-N	1	0	169.312	3.250	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])C[C@H](C)CC	131607461	573895483	/nfs/dbraw/zinc/89/54/83/573895483.db2.gz	GFBUMOZTBBLFLE-GHMZBOCLSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1cc(C)oc1C	131596190	573895489	/nfs/dbraw/zinc/89/54/89/573895489.db2.gz	MEEXSVBGTXMFOT-LBPRGKRZSA-N	1	0	193.290	3.253	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C(C)(C)CC	131615196	573895697	/nfs/dbraw/zinc/89/56/97/573895697.db2.gz	BIOXNUNCWPGZHE-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])CCCCC	131629418	573895816	/nfs/dbraw/zinc/89/58/16/573895816.db2.gz	AJJXGHWXZRENGO-NSHDSACASA-N	1	0	169.312	3.250	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C1C(C)(C)C1(C)C	131600971	573896100	/nfs/dbraw/zinc/89/61/00/573896100.db2.gz	FCEWPXNHMRVLME-JTQLQIEISA-N	1	0	195.350	3.352	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1cc(C)oc1C	131596363	573896291	/nfs/dbraw/zinc/89/62/91/573896291.db2.gz	MEEXSVBGTXMFOT-GFCCVEGCSA-N	1	0	193.290	3.253	10	30		AGEERO
C=CC[C@H](C)[NH2+]C[C@@H]1CCCC1(C)C	715052124	573896304	/nfs/dbraw/zinc/89/63/04/573896304.db2.gz	HSMLFKXTZHYZIQ-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@@H](CC)CC1CC1	715051456	573896610	/nfs/dbraw/zinc/89/66/10/573896610.db2.gz	CFIOUTAOKQSEFR-PWSUYJOCSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H](C(C)C)C1CCC1	715052938	573896626	/nfs/dbraw/zinc/89/66/26/573896626.db2.gz	JTAFGNZFLAUBLB-DGCLKSJQSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H](CC)CC1CC1	715051433	573897826	/nfs/dbraw/zinc/89/78/26/573897826.db2.gz	CFIOUTAOKQSEFR-JQWIXIFHSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H](C)[NH2+]C[C@@H]1CCCC1(C)C	715052121	573898132	/nfs/dbraw/zinc/89/81/32/573898132.db2.gz	HSMLFKXTZHYZIQ-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@@H](C)C(CC)CC	715052760	573898398	/nfs/dbraw/zinc/89/83/98/573898398.db2.gz	IKDJIYOKJJLUNA-MNOVXSKESA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H](C)C(CC)CC	715052759	573900283	/nfs/dbraw/zinc/90/02/83/573900283.db2.gz	IKDJIYOKJJLUNA-GHMZBOCLSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H](C)C(CC)CC	715052762	573900595	/nfs/dbraw/zinc/90/05/95/573900595.db2.gz	IKDJIYOKJJLUNA-QWRGUYRKSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H](C)C(CC)CC	715052763	573900677	/nfs/dbraw/zinc/90/06/77/573900677.db2.gz	IKDJIYOKJJLUNA-WDEREUQCSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@@H](C)[NH2+]C[C@H]1CCCC1(C)C	715052126	573900730	/nfs/dbraw/zinc/90/07/30/573900730.db2.gz	HSMLFKXTZHYZIQ-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)C(C)(C)CC	131539846	573902523	/nfs/dbraw/zinc/90/25/23/573902523.db2.gz	MAXGPFNKNKLSEC-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)[C@@H](C)C(C)C	131564372	573902610	/nfs/dbraw/zinc/90/26/10/573902610.db2.gz	DXCCTJKKNHFCHF-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(CC)C[C@H](C[C@@H](C)CC)[NH2+]C	131570446	573902108	/nfs/dbraw/zinc/90/21/08/573902108.db2.gz	YYSWIZCOZNEBFH-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@@H](C[C@H](C)CC)[NH2+]C	131570652	573902184	/nfs/dbraw/zinc/90/21/84/573902184.db2.gz	YYSWIZCOZNEBFH-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)C(C)(C)CC	131540061	573902237	/nfs/dbraw/zinc/90/22/37/573902237.db2.gz	MAXGPFNKNKLSEC-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)[C@H](C)C(C)C	131564974	573904212	/nfs/dbraw/zinc/90/42/12/573904212.db2.gz	DXCCTJKKNHFCHF-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CC)[C@H](C)C1CC1	131562093	573904304	/nfs/dbraw/zinc/90/43/04/573904304.db2.gz	FJNRYDJHHOXSII-DGCLKSJQSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)[C@@H](C)C(C)C	131564581	573904315	/nfs/dbraw/zinc/90/43/15/573904315.db2.gz	DXCCTJKKNHFCHF-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@@H]1CC12CCCCC2	715054440	573904458	/nfs/dbraw/zinc/90/44/58/573904458.db2.gz	RBEUJYCXJKHXNL-VXGBXAGGSA-N	1	0	193.334	3.263	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])[C@@H](C)CCC	131573481	573904708	/nfs/dbraw/zinc/90/47/08/573904708.db2.gz	WGBFQHTUTFYSSC-WDEREUQCSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CC[N@@H+](CC)[C@H]1CCCC1(C)C	308461669	573906279	/nfs/dbraw/zinc/90/62/79/573906279.db2.gz	HSXGAOWCEUKUQO-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CC12CCCCC2	715054427	573906886	/nfs/dbraw/zinc/90/68/86/573906886.db2.gz	RBEUJYCXJKHXNL-NWDGAFQWSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCC[NH2+]C(C)(C)C(C)(C)C	393570302	573909925	/nfs/dbraw/zinc/90/99/25/573909925.db2.gz	WGTCNPRYCAUBKH-UHFFFAOYSA-N	1	0	183.339	3.367	10	30		AGEERO
CC(C)C[NH+]=C1CCCCC1	80859204	573918301	/nfs/dbraw/zinc/91/83/01/573918301.db2.gz	GSEJNBQMFWBHNW-UHFFFAOYSA-N	1	0	153.269	3.048	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@@H]1C=CCCCCC1	308464336	573929933	/nfs/dbraw/zinc/92/99/33/573929933.db2.gz	VJJGNSAIIAJUOF-CHWSQXEVSA-N	1	0	193.334	3.430	10	30		AGEERO
C#CCC[C@@H]([NH3+])C[C@@H](C)CC(C)(C)C	127741926	573932401	/nfs/dbraw/zinc/93/24/01/573932401.db2.gz	RWQUSGPOJLTPJZ-VXGBXAGGSA-N	1	0	195.350	3.190	10	30		AGEERO
C#CCC[C@H]([NH3+])C[C@@H](C)CC(C)(C)C	127742427	573932504	/nfs/dbraw/zinc/93/25/04/573932504.db2.gz	RWQUSGPOJLTPJZ-NEPJUHHUSA-N	1	0	195.350	3.190	10	30		AGEERO
C#CCC[C@@H]([NH3+])CCC1CCCCC1	127772727	573936752	/nfs/dbraw/zinc/93/67/52/573936752.db2.gz	ROJOATJXKBUELJ-CYBMUJFWSA-N	1	0	193.334	3.088	10	30		AGEERO
C=CC[C@@H]([NH2+]CC)C1CCC(C)CC1	44983853	573938440	/nfs/dbraw/zinc/93/84/40/573938440.db2.gz	BPRJPPZHAMMFPB-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C#CCC[C@H]([NH2+]CCC)[C@@H](C)C(C)C	127767090	573938586	/nfs/dbraw/zinc/93/85/86/573938586.db2.gz	XAPKBDFJEAMGGY-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
C=C1CCC[N@@H+]([C@H](C)CCCC)C1	308468256	573938620	/nfs/dbraw/zinc/93/86/20/573938620.db2.gz	JQXJVYBXUZJDNM-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C1CCC[N@@H+]([C@@H](C)CCCC)C1	308468257	573938853	/nfs/dbraw/zinc/93/88/53/573938853.db2.gz	JQXJVYBXUZJDNM-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C#CCC[C@@H]([NH2+]CCC)[C@H](C)C(C)C	127767704	573939941	/nfs/dbraw/zinc/93/99/41/573939941.db2.gz	XAPKBDFJEAMGGY-CHWSQXEVSA-N	1	0	195.350	3.060	10	30		AGEERO
C#CCC[C@@H]([NH3+])CCCCCCC	127865900	573957270	/nfs/dbraw/zinc/95/72/70/573957270.db2.gz	UPROCCJNUGEMAX-GFCCVEGCSA-N	1	0	181.323	3.088	10	30		AGEERO
CCCC[C@H](CC)CN(C)[C@@H](C)C#N	45144385	573957712	/nfs/dbraw/zinc/95/77/12/573957712.db2.gz	WDVPAGRXZAFSSP-RYUDHWBXSA-N	1	0	196.338	3.047	10	30		AGEERO
C=CCCC[C@H]([NH3+])CCC=C(C)C	35923604	573957911	/nfs/dbraw/zinc/95/79/11/573957911.db2.gz	NKAWMTDRJKZNFK-LBPRGKRZSA-N	1	0	181.323	3.416	10	30		AGEERO
C#CCC[C@H]([NH3+])CCCCCCC	127866111	573959205	/nfs/dbraw/zinc/95/92/05/573959205.db2.gz	UPROCCJNUGEMAX-LBPRGKRZSA-N	1	0	181.323	3.088	10	30		AGEERO
C=CCC/C(C)=C/CC[NH2+]CCC	211784441	573969512	/nfs/dbraw/zinc/96/95/12/573969512.db2.gz	HPYDOFQMFSOSRD-FMIVXFBMSA-N	1	0	181.323	3.289	10	30		AGEERO
C#CCC[C@H]([NH3+])CCCCCCCC	127920725	573997863	/nfs/dbraw/zinc/99/78/63/573997863.db2.gz	RARIAFLLLSEXRQ-ZDUSSCGKSA-N	1	0	195.350	3.478	10	30		AGEERO
C=CC[C@H]([NH3+])c1cc(Cl)ccc1C	104478738	573998039	/nfs/dbraw/zinc/99/80/39/573998039.db2.gz	UZIGMZCNGXZHNB-NSHDSACASA-N	1	0	195.693	3.224	10	30		AGEERO
C#CCC[C@@H]([NH3+])CCCCCCCC	127920516	573998210	/nfs/dbraw/zinc/99/82/10/573998210.db2.gz	RARIAFLLLSEXRQ-CYBMUJFWSA-N	1	0	195.350	3.478	10	30		AGEERO
C=C[C@H]([NH3+])c1cc(Cl)ccc1CC	104477933	574000430	/nfs/dbraw/zinc/00/04/30/574000430.db2.gz	QTYDIKOCDSQJGC-NSHDSACASA-N	1	0	195.693	3.088	10	30		AGEERO
CC(C)CCC[C@@H](C)[NH2+][C@H](C)CC#N	42589706	574025144	/nfs/dbraw/zinc/02/51/44/574025144.db2.gz	YNMIAMGRZDRUPO-VXGBXAGGSA-N	1	0	196.338	3.093	10	30		AGEERO
CCCCCCCc1c[nH+]ccc1N	112423256	574037011	/nfs/dbraw/zinc/03/70/11/574037011.db2.gz	GDFQLFBLUHJAGK-UHFFFAOYSA-N	1	0	192.306	3.177	10	30		AGEERO
C=CCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]1C	388681965	574043543	/nfs/dbraw/zinc/04/35/43/574043543.db2.gz	IVHQEBHJVLDIFE-SRVKXCTJSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC(C)(C)C[NH2+]C[C@@]1(C)CC1(C)C	717002897	574047589	/nfs/dbraw/zinc/04/75/89/574047589.db2.gz	VPHVXBSIQMXDHV-CYBMUJFWSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC(C)(C)C[NH2+]C[C@]1(C)CC1(C)C	717002912	574047883	/nfs/dbraw/zinc/04/78/83/574047883.db2.gz	VPHVXBSIQMXDHV-ZDUSSCGKSA-N	1	0	195.350	3.224	10	30		AGEERO
C=C(CC)C[NH+]1CCC(C)(CC)CC1	1167267784	760863898	/nfs/dbraw/zinc/86/38/98/760863898.db2.gz	KCPDHHGHYCUVCA-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@H](CC)CC1	1167381134	760864101	/nfs/dbraw/zinc/86/41/01/760864101.db2.gz	KFRQZFLMQAKVNN-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
CCC#C[C@@H](C)[N@H+](CC)C[C@H](C)CC	1167561926	760864215	/nfs/dbraw/zinc/86/42/15/760864215.db2.gz	CGVCYDZTPVESOE-CHWSQXEVSA-N	1	0	195.350	3.156	10	30		AGEERO
C=C(CC)C[N@@H+]1CCC[C@](C)(CC)C1	1167490465	760864226	/nfs/dbraw/zinc/86/42/26/760864226.db2.gz	BSQIFMGNAXDRLC-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@@H](CC)CC1	1167381123	760864743	/nfs/dbraw/zinc/86/47/43/760864743.db2.gz	KFRQZFLMQAKVNN-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
CCC#C[C@@H](C)[N@H+](CC)C[C@@H](C)CC	1167561928	760864759	/nfs/dbraw/zinc/86/47/59/760864759.db2.gz	CGVCYDZTPVESOE-QWHCGFSZSA-N	1	0	195.350	3.156	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CC)CC1	1167381119	760865040	/nfs/dbraw/zinc/86/50/40/760865040.db2.gz	KFRQZFLMQAKVNN-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@@H]1C(C)C	1167490725	760865087	/nfs/dbraw/zinc/86/50/87/760865087.db2.gz	HFELGHLSVIRJBS-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@H](CC)CC1	1167381121	760865101	/nfs/dbraw/zinc/86/51/01/760865101.db2.gz	KFRQZFLMQAKVNN-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@@H+]1CCC[C@@](C)(CC)C1	1167490464	760865180	/nfs/dbraw/zinc/86/51/80/760865180.db2.gz	BSQIFMGNAXDRLC-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
CCC#C[C@H](C)[N@H+](CC)C[C@H](C)CC	1167561927	760865190	/nfs/dbraw/zinc/86/51/90/760865190.db2.gz	CGVCYDZTPVESOE-OLZOCXBDSA-N	1	0	195.350	3.156	10	30		AGEERO
C=CCCCC[NH+]1CCC(CC)CC1	1167342250	760865406	/nfs/dbraw/zinc/86/54/06/760865406.db2.gz	UPJBQOWSMFYXIR-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@H]1C(C)C	1167490726	760865513	/nfs/dbraw/zinc/86/55/13/760865513.db2.gz	HFELGHLSVIRJBS-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
CCC#C[C@H](C)[N@H+](CC)C[C@@H](C)CC	1167561929	760865671	/nfs/dbraw/zinc/86/56/71/760865671.db2.gz	CGVCYDZTPVESOE-STQMWFEESA-N	1	0	195.350	3.156	10	30		AGEERO
C=CC[NH+](CC=C)C1CCC(C)CC1	1168219041	760897479	/nfs/dbraw/zinc/89/74/79/760897479.db2.gz	CJRLBAGSLWUOFY-UHFFFAOYSA-N	1	0	193.334	3.239	10	30		AGEERO
C=C(C)C[N@@H+](CC)C1CCC(C)CC1	1168219759	760897485	/nfs/dbraw/zinc/89/74/85/760897485.db2.gz	NKPUFVQHZCYHDW-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC(C)(C)C[C@@H]1C	1171209015	761081583	/nfs/dbraw/zinc/08/15/83/761081583.db2.gz	XLNNTDRXABGPGS-MNOVXSKESA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC(C)(C)C[C@@H]1C	1171209020	761081879	/nfs/dbraw/zinc/08/18/79/761081879.db2.gz	XLNNTDRXABGPGS-QWRGUYRKSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC(C)(C)C[C@H]1C	1171209023	761082637	/nfs/dbraw/zinc/08/26/37/761082637.db2.gz	XLNNTDRXABGPGS-WDEREUQCSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC(C)(C)C[C@H]1C	1171209011	761082701	/nfs/dbraw/zinc/08/27/01/761082701.db2.gz	XLNNTDRXABGPGS-GHMZBOCLSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+]([C@@H](C)CCC)C1	1171846840	761083795	/nfs/dbraw/zinc/08/37/95/761083795.db2.gz	FUQTUUCXCUEBNZ-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+]([C@H](C)CCC)C1	1171846837	761083819	/nfs/dbraw/zinc/08/38/19/761083819.db2.gz	FUQTUUCXCUEBNZ-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+]([C@@H](C)CCC)C1	1171846839	761085067	/nfs/dbraw/zinc/08/50/67/761085067.db2.gz	FUQTUUCXCUEBNZ-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+]([C@H](C)CCC)C1	1171846838	761086733	/nfs/dbraw/zinc/08/67/33/761086733.db2.gz	FUQTUUCXCUEBNZ-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@H](CC)CC[C@H]1C	1174622806	761353229	/nfs/dbraw/zinc/35/32/29/761353229.db2.gz	NPDMHFCEYOUWLS-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@H+](C)CCC(C)(C)C1CC1	1174742895	761353599	/nfs/dbraw/zinc/35/35/99/761353599.db2.gz	VXXONEHPJQZHAF-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C#CC[N@@H+](CC(CC)CC)C(C)(C)C	1176288222	761439584	/nfs/dbraw/zinc/43/95/84/761439584.db2.gz	MTPHMYIREBRJHZ-UHFFFAOYSA-N	1	0	195.350	3.156	10	30		AGEERO
C#CC[N@H+](C[C@@H](C)C(C)(C)C)C(C)C	1176373812	761439976	/nfs/dbraw/zinc/43/99/76/761439976.db2.gz	ZYQWGPZQFMMQCR-GFCCVEGCSA-N	1	0	195.350	3.012	10	30		AGEERO
C#CCC1([NH2+]CCCCCC)CCC1	1176381366	761440158	/nfs/dbraw/zinc/44/01/58/761440158.db2.gz	NQZJRPFOOFUQMP-UHFFFAOYSA-N	1	0	193.334	3.102	10	30		AGEERO
C=CCCC[NH+](CC)CCCC=C	1176798183	761440692	/nfs/dbraw/zinc/44/06/92/761440692.db2.gz	MHFYTDOBIGLWGT-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=C/C=C/CC[N@H+](CC)CCCC=C	1176798084	761440742	/nfs/dbraw/zinc/44/07/42/761440742.db2.gz	KMUNGHGYDUUWPP-VQHVLOKHSA-N	1	0	193.334	3.407	10	30		AGEERO
C=CCCC[N@@H+](CC)CC1=CCCC1	1176798213	761440794	/nfs/dbraw/zinc/44/07/94/761440794.db2.gz	MYDNMYQIXORPJH-UHFFFAOYSA-N	1	0	193.334	3.385	10	30		AGEERO
C=C/C=C\CC[N@H+](CC)CCCC=C	1176798083	761442300	/nfs/dbraw/zinc/44/23/00/761442300.db2.gz	KMUNGHGYDUUWPP-CLFYSBASSA-N	1	0	193.334	3.407	10	30		AGEERO
C#CC[N@H+](C[C@H](C)C(C)(C)C)C(C)C	1176373813	761442474	/nfs/dbraw/zinc/44/24/74/761442474.db2.gz	ZYQWGPZQFMMQCR-LBPRGKRZSA-N	1	0	195.350	3.012	10	30		AGEERO
C=CCCC[N@@H+](CC)CC1CC=CC1	1176797588	761443740	/nfs/dbraw/zinc/44/37/40/761443740.db2.gz	AUAMNCLGVPKQDC-UHFFFAOYSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1CCC(C)C	1176767524	761444587	/nfs/dbraw/zinc/44/45/87/761444587.db2.gz	MEYIWWZKPCOING-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1CCC(C)C	1176767523	761445288	/nfs/dbraw/zinc/44/52/88/761445288.db2.gz	MEYIWWZKPCOING-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[NH2+][C@@H]1CC[C@H](CCC(C)C)C1	1177148751	761446505	/nfs/dbraw/zinc/44/65/05/761446505.db2.gz	LSUASBIKHPDEIL-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1C[C@@H](C)CC(C)C	1176814709	761448564	/nfs/dbraw/zinc/44/85/64/761448564.db2.gz	PMICHMZODGUAHD-STQMWFEESA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1C[C@H](C)CC(C)C	1176814707	761448983	/nfs/dbraw/zinc/44/89/83/761448983.db2.gz	PMICHMZODGUAHD-OLZOCXBDSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[NH2+][C@@H]1CC[C@@H](CCC(C)C)C1	1177148746	761451320	/nfs/dbraw/zinc/45/13/20/761451320.db2.gz	LSUASBIKHPDEIL-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1C[C@@H](C)CC(C)C	1176814708	761452054	/nfs/dbraw/zinc/45/20/54/761452054.db2.gz	PMICHMZODGUAHD-QWHCGFSZSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[NH2+][C@H]1CC[C@@H](CCC(C)C)C1	1177148750	761453113	/nfs/dbraw/zinc/45/31/13/761453113.db2.gz	LSUASBIKHPDEIL-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@H]1CC[C@H](CCC(C)C)C1	1177148753	761456118	/nfs/dbraw/zinc/45/61/18/761456118.db2.gz	LSUASBIKHPDEIL-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1C[C@H](C)CC(C)C	1176814706	761456515	/nfs/dbraw/zinc/45/65/15/761456515.db2.gz	PMICHMZODGUAHD-CHWSQXEVSA-N	1	0	195.350	3.319	10	30		AGEERO
C=C(C)C[N@@H+](CC)CC1(C)CCCC1	1180438078	761489954	/nfs/dbraw/zinc/48/99/54/761489954.db2.gz	VREMTTWBOSEGQO-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21	1181410967	761510895	/nfs/dbraw/zinc/51/08/95/761510895.db2.gz	VFYGBYXJOOKTAK-AVGNSLFASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[N@@H+](CC)CC1(C)CC1	1184188413	761553408	/nfs/dbraw/zinc/55/34/08/761553408.db2.gz	MHHLWPMZXMJSOU-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@H](C)C(C)(C)C	1184240100	761553824	/nfs/dbraw/zinc/55/38/24/761553824.db2.gz	SSFOYSASZQMHQK-JTQLQIEISA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@@H](C)C(C)(C)C	1184240134	761557059	/nfs/dbraw/zinc/55/70/59/761557059.db2.gz	SSFOYSASZQMHQK-SNVBAGLBSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[N@@H+](CCCC1CC1)C(C)C	1190588953	761592069	/nfs/dbraw/zinc/59/20/69/761592069.db2.gz	HJDARQVJNQDXIZ-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C#CCCCCCC[N@@H+](CC)CCC	1190606255	761597263	/nfs/dbraw/zinc/59/72/63/761597263.db2.gz	UXWDGDUGKIEXKN-UHFFFAOYSA-N	1	0	195.350	3.302	10	30		AGEERO
C=CCCCC[N@H+]1C[C@H](C)C[C@H]1CC	1191233605	761598831	/nfs/dbraw/zinc/59/88/31/761598831.db2.gz	PAMVEGNSUVMPGY-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H](C)[NH+]1CCC(C(C)C)CC1	1191014103	761599024	/nfs/dbraw/zinc/59/90/24/761599024.db2.gz	XIEYPVJBHZAIKI-LBPRGKRZSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCCC[N@@H+](C)CC(C)(C)C	1190752197	761599261	/nfs/dbraw/zinc/59/92/61/761599261.db2.gz	JDYJTDRXRJZTLG-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CCCCC[N@H+]1C[C@H](C)C[C@@H]1CC	1191233606	761600590	/nfs/dbraw/zinc/60/05/90/761600590.db2.gz	PAMVEGNSUVMPGY-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[NH+]1CCC(C(C)C)CC1	1191014100	761600821	/nfs/dbraw/zinc/60/08/21/761600821.db2.gz	XIEYPVJBHZAIKI-GFCCVEGCSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@@H](C)[N@H+](CCC)CC(C)C	1190650669	761601039	/nfs/dbraw/zinc/60/10/39/761601039.db2.gz	DFRKUVHMVWLVEI-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[C@H](C)[N@H+](CCC)CC(C)C	1190650670	761601652	/nfs/dbraw/zinc/60/16/52/761601652.db2.gz	DFRKUVHMVWLVEI-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCCCC[N@H+]1C[C@@H](C)C[C@@H]1CC	1191233609	761602159	/nfs/dbraw/zinc/60/21/59/761602159.db2.gz	PAMVEGNSUVMPGY-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1C[C@@H](C)C[C@H]1CC	1191233607	761602938	/nfs/dbraw/zinc/60/29/38/761602938.db2.gz	PAMVEGNSUVMPGY-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC(C)(C)C1(C)C	1191390809	761603158	/nfs/dbraw/zinc/60/31/58/761603158.db2.gz	QGPSWLFUVJPQMU-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC[C@H](C)C(C)(C)C1	1193211781	761616963	/nfs/dbraw/zinc/61/69/63/761616963.db2.gz	XMPSKFLCHKFHGG-NWDGAFQWSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC[C@H](C)C(C)(C)C1	1193211782	761618156	/nfs/dbraw/zinc/61/81/56/761618156.db2.gz	XMPSKFLCHKFHGG-RYUDHWBXSA-N	1	0	195.350	3.319	10	30		AGEERO
C#CC(C)(C)[N@H+](C)CCCC(C)(C)C	1193365498	761618268	/nfs/dbraw/zinc/61/82/68/761618268.db2.gz	SQBMIAAUKRWCCI-UHFFFAOYSA-N	1	0	195.350	3.156	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC[C@@H](C)C(C)(C)C1	1193211780	761620008	/nfs/dbraw/zinc/62/00/08/761620008.db2.gz	XMPSKFLCHKFHGG-NEPJUHHUSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC[C@@H](C)C(C)(C)C1	1193211783	761620743	/nfs/dbraw/zinc/62/07/43/761620743.db2.gz	XMPSKFLCHKFHGG-VXGBXAGGSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCC[N@@H+](C)CC1CC2(CCC2)C1	1193474565	761623501	/nfs/dbraw/zinc/62/35/01/761623501.db2.gz	YQMRPBZZMIDCBI-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[N@H+](C)CCC1CCCCCC1	1193607047	761627393	/nfs/dbraw/zinc/62/73/93/761627393.db2.gz	SFOHBDMBEFLWOC-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C#C[C@@H](C)[N@@H+](C)CCC[C@@H](C)CCC	1193919577	761650129	/nfs/dbraw/zinc/65/01/29/761650129.db2.gz	BNAPYLXIMORWQC-QWHCGFSZSA-N	1	0	195.350	3.156	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1CCCC(C)C	1193941719	761650311	/nfs/dbraw/zinc/65/03/11/761650311.db2.gz	BYUFFSNCSJBGKA-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1CCCC(C)C	1193941718	761652087	/nfs/dbraw/zinc/65/20/87/761652087.db2.gz	BYUFFSNCSJBGKA-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C#C[C@H](C)[N@@H+](C)CCC[C@H](C)CCC	1193919576	761652523	/nfs/dbraw/zinc/65/25/23/761652523.db2.gz	BNAPYLXIMORWQC-OLZOCXBDSA-N	1	0	195.350	3.156	10	30		AGEERO
C#C[C@H](C)[N@@H+](C)CCC[C@@H](C)CCC	1193919578	761653142	/nfs/dbraw/zinc/65/31/42/761653142.db2.gz	BNAPYLXIMORWQC-STQMWFEESA-N	1	0	195.350	3.156	10	30		AGEERO
C#C[C@@H](C)[N@@H+](C)CCC[C@H](C)CCC	1193919575	761653833	/nfs/dbraw/zinc/65/38/33/761653833.db2.gz	BNAPYLXIMORWQC-CHWSQXEVSA-N	1	0	195.350	3.156	10	30		AGEERO
CC#CC[N@H+](C)C[C@H](C)CC(C)(C)C	1194746077	761672354	/nfs/dbraw/zinc/67/23/54/761672354.db2.gz	QKTFADDJXHVXGA-GFCCVEGCSA-N	1	0	195.350	3.014	10	30		AGEERO
CC#CC[N@H+](C)C[C@@H](C)CC(C)(C)C	1194746078	761673412	/nfs/dbraw/zinc/67/34/12/761673412.db2.gz	QKTFADDJXHVXGA-LBPRGKRZSA-N	1	0	195.350	3.014	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1	1195180101	761693612	/nfs/dbraw/zinc/69/36/12/761693612.db2.gz	QXGXDJHQLOBSEV-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1	1195180093	761696110	/nfs/dbraw/zinc/69/61/10/761696110.db2.gz	QXGXDJHQLOBSEV-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1	1195180103	761696181	/nfs/dbraw/zinc/69/61/81/761696181.db2.gz	QXGXDJHQLOBSEV-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1	1195180104	761697227	/nfs/dbraw/zinc/69/72/27/761697227.db2.gz	QXGXDJHQLOBSEV-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[N@H+]1CCCC1(CC)CC	1197514500	761704597	/nfs/dbraw/zinc/70/45/97/761704597.db2.gz	NKABKYFXWAITOE-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[N@@H+](C[C@@H](C)CC)C(C)(C)C	1196197924	761704660	/nfs/dbraw/zinc/70/46/60/761704660.db2.gz	CDWIXDVUCKWWCT-NSHDSACASA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@H](CC)CC[C@H]1C	1196175133	761704888	/nfs/dbraw/zinc/70/48/88/761704888.db2.gz	GKYYOLCKPUDIFD-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+]1CC(C)(C)CCC1(C)C	1196276630	761705960	/nfs/dbraw/zinc/70/59/60/761705960.db2.gz	VUSOCBDENRWQAG-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@H+]1CCCC(CC)(CC)C1	1196104038	761708831	/nfs/dbraw/zinc/70/88/31/761708831.db2.gz	KIKQRHYQGGYEBQ-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[N@@H+](C[C@H](C)CC)C(C)(C)C	1196197919	761709338	/nfs/dbraw/zinc/70/93/38/761709338.db2.gz	CDWIXDVUCKWWCT-LLVKDONJSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[C@H]1CC[N@@H+]1CCCC1CCC1	1198492157	761711606	/nfs/dbraw/zinc/71/16/06/761711606.db2.gz	YNULZBQCJOILBB-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCC[N@H+]1CCC[C@@H]1CCC	1198421982	761713091	/nfs/dbraw/zinc/71/30/91/761713091.db2.gz	RBDNSKOQOUKWRW-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+]1CCCC1CCC1	1198492156	761713115	/nfs/dbraw/zinc/71/31/15/761713115.db2.gz	YNULZBQCJOILBB-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCC[N@H+]1CCC[C@H]1CCC	1198421981	761714288	/nfs/dbraw/zinc/71/42/88/761714288.db2.gz	RBDNSKOQOUKWRW-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCC[N@@H+](C)C[C@@H](C)CC	1201515468	761770593	/nfs/dbraw/zinc/77/05/93/761770593.db2.gz	MSSNGMWUALKJDD-LBPRGKRZSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CCCCC[N@@H+](C)C[C@H](C)CC	1201515467	761771862	/nfs/dbraw/zinc/77/18/62/761771862.db2.gz	MSSNGMWUALKJDD-GFCCVEGCSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CCCCC[N@@H+](C)CCC(C)C	1201626308	761797732	/nfs/dbraw/zinc/79/77/32/761797732.db2.gz	FRULRMGDZPNSBB-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[N@@H+](CCC(C)C)C(C)(C)C	1201630524	761799629	/nfs/dbraw/zinc/79/96/29/761799629.db2.gz	VIUZSAUVDWNYJC-UHFFFAOYSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[N@@H+](CCCCC)C(C)(C)C	1201744654	761809522	/nfs/dbraw/zinc/80/95/22/761809522.db2.gz	NEVAHNWXTFVLNE-UHFFFAOYSA-N	1	0	183.339	3.463	10	30		AGEERO
CCCCCCCC[NH+]1CC=CC1	1201804979	761809869	/nfs/dbraw/zinc/80/98/69/761809869.db2.gz	XEHFUGRNCUUKPU-UHFFFAOYSA-N	1	0	181.323	3.219	10	30		AGEERO
CCCCCCCC[N@H+]1C[C@H]2C[C@H]2C1	1201804094	761810089	/nfs/dbraw/zinc/81/00/89/761810089.db2.gz	AQQOTRFIRSHZFS-BETUJISGSA-N	1	0	195.350	3.299	10	30		AGEERO
CCCCCCCC[N@@H+]1CC[C@@H]1C	1201804167	761810572	/nfs/dbraw/zinc/81/05/72/761810572.db2.gz	FASWMZKKLKCEEV-LBPRGKRZSA-N	1	0	183.339	3.441	10	30		AGEERO
CCCCCCCC[NH+]1CC(C)C1	1201805018	761811291	/nfs/dbraw/zinc/81/12/91/761811291.db2.gz	ZHFUVSYMKMCLHO-UHFFFAOYSA-N	1	0	183.339	3.299	10	30		AGEERO
CCCCCCCC[N@@H+]1CC[C@H]1C	1201804166	761811547	/nfs/dbraw/zinc/81/15/47/761811547.db2.gz	FASWMZKKLKCEEV-GFCCVEGCSA-N	1	0	183.339	3.441	10	30		AGEERO
CCCCCCCC[N@H+](C)CCF	1201839396	761811619	/nfs/dbraw/zinc/81/16/19/761811619.db2.gz	BKGKXBUNZKUNGT-UHFFFAOYSA-N	1	0	189.318	3.248	10	30		AGEERO
C=CC[N@H+](CC1CCCC1)C(C)(C)C	1202189598	761816680	/nfs/dbraw/zinc/81/66/80/761816680.db2.gz	AXDJRMOGDRCRAD-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@@H+](C)CC1CCCC1	1202177898	761816857	/nfs/dbraw/zinc/81/68/57/761816857.db2.gz	FLQWRMYYHCLAPS-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)C[NH2+]C1CCC2(CCC2)CC1	1202374395	761818187	/nfs/dbraw/zinc/81/81/87/761818187.db2.gz	KFAYWUUUQLXPGP-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CCCCC[N@@H+](C)CC1CCC1	1202775381	761829587	/nfs/dbraw/zinc/82/95/87/761829587.db2.gz	CRWWNZCQRIDJMU-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CC[NH+](CC=C)CC1(C)CCCC1	1205052502	761892197	/nfs/dbraw/zinc/89/21/97/761892197.db2.gz	JRLANDWGJXRVBZ-UHFFFAOYSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[N@@H+](C)CCCCC(C)C	1205418633	761927842	/nfs/dbraw/zinc/92/78/42/761927842.db2.gz	WVAWJOUMFOGAQK-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=C(CC)C[NH2+]C1CC2(CCCC2)C1	1206284793	762072598	/nfs/dbraw/zinc/07/25/98/762072598.db2.gz	CUUZIYPXOFYRPA-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CC(C)(C)[NH2+]CCCCC(C)C	1207752501	762158897	/nfs/dbraw/zinc/15/88/97/762158897.db2.gz	BIHSPBBXAFTFPA-UHFFFAOYSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[N@@H+]1CC[C@H]2CCC[C@@H]2C1	1209159037	762281550	/nfs/dbraw/zinc/28/15/50/762281550.db2.gz	ZGKLEPQOZDIUSY-CHWSQXEVSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCCCC[N@@H+](CCC)CC1CC1	1209200303	762282546	/nfs/dbraw/zinc/28/25/46/762282546.db2.gz	BNOBYYJJSYJXDN-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCCC[N@H+]1CCCC[C@@H](C)C1	1209200273	762282626	/nfs/dbraw/zinc/28/26/26/762282626.db2.gz	FSUPZVCCIPQSFD-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCC[N@@H+]1CC[C@@H]2CCC[C@@H]2C1	1209159039	762283868	/nfs/dbraw/zinc/28/38/68/762283868.db2.gz	ZGKLEPQOZDIUSY-QWHCGFSZSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCCCC[N@H+]1CCCC[C@@H](F)C1	1209200552	762284124	/nfs/dbraw/zinc/28/41/24/762284124.db2.gz	JSGYTLGMKPGCPQ-GFCCVEGCSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CCCC[N@@H+]1CC[C@@H]2CCC[C@H]2C1	1209159052	762284664	/nfs/dbraw/zinc/28/46/64/762284664.db2.gz	ZGKLEPQOZDIUSY-STQMWFEESA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCCCC[N@H+]1CCCC[C@H](C)C1	1209200275	762284768	/nfs/dbraw/zinc/28/47/68/762284768.db2.gz	FSUPZVCCIPQSFD-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCC[N@@H+]1CC[C@H]2CCC[C@H]2C1	1209159038	762285306	/nfs/dbraw/zinc/28/53/06/762285306.db2.gz	ZGKLEPQOZDIUSY-OLZOCXBDSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCCCC[N@@H+](CC)CCCC	1209200820	762286194	/nfs/dbraw/zinc/28/61/94/762286194.db2.gz	IQRXGMVMZAKRGB-UHFFFAOYSA-N	1	0	183.339	3.465	10	30		AGEERO
C=CCCCC[N@H+]1CCCC[C@H](F)C1	1209200556	762286217	/nfs/dbraw/zinc/28/62/17/762286217.db2.gz	JSGYTLGMKPGCPQ-LBPRGKRZSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CCCCC[NH+]1CCC(CF)CC1	1209204880	762287083	/nfs/dbraw/zinc/28/70/83/762287083.db2.gz	LDJPKIRGQGAJGA-UHFFFAOYSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CCCCC[N@@H+](C)C1CC(C)C1	1209201524	762287091	/nfs/dbraw/zinc/28/70/91/762287091.db2.gz	NTCZXNVKBPRQOK-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@@H](C)[C@H]1C	1209202203	762287101	/nfs/dbraw/zinc/28/71/01/762287101.db2.gz	CIIRRCHAMZSFPA-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@H](C)[C@H]1C	1209202209	762287106	/nfs/dbraw/zinc/28/71/06/762287106.db2.gz	CIIRRCHAMZSFPA-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[NH+]1CC2(CCCC2)C1	1209201744	762287287	/nfs/dbraw/zinc/28/72/87/762287287.db2.gz	QBEQJXJWNNSBRP-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@H](C)[C@@H]1C	1209202210	762287711	/nfs/dbraw/zinc/28/77/11/762287711.db2.gz	CIIRRCHAMZSFPA-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@H](C)CC1	1209201928	762287869	/nfs/dbraw/zinc/28/78/69/762287869.db2.gz	ZKRSWAUPWHGCLM-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCCC[N@@H+](C)C[C@@H]1CC1(C)C	1209204321	762288074	/nfs/dbraw/zinc/28/80/74/762288074.db2.gz	BVURBMNYPHTPDL-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCC[N@@H+]1C[C@@H](C)C[C@@H](C)C1	1209204814	762288431	/nfs/dbraw/zinc/28/84/31/762288431.db2.gz	KDJIKNCAFRZHLZ-BETUJISGSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCC[NH+]1CCC(C)(F)CC1	1209201766	762288925	/nfs/dbraw/zinc/28/89/25/762288925.db2.gz	RFMRXEKMBPLDKA-UHFFFAOYSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@@H](C)CC1	1209201926	762289227	/nfs/dbraw/zinc/28/92/27/762289227.db2.gz	ZKRSWAUPWHGCLM-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](C)C[C@H]1C	1209205045	762289259	/nfs/dbraw/zinc/28/92/59/762289259.db2.gz	QHWHUYPUCCORQB-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@@H](C)[C@@H]1C	1209202205	762290115	/nfs/dbraw/zinc/29/01/15/762290115.db2.gz	CIIRRCHAMZSFPA-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[NH+]1C[C@H](C)C[C@@H](C)C1	1209204815	762290228	/nfs/dbraw/zinc/29/02/28/762290228.db2.gz	KDJIKNCAFRZHLZ-CHWSQXEVSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCC[N@@H+](C)C[C@H]1CC1(C)C	1209204320	762290318	/nfs/dbraw/zinc/29/03/18/762290318.db2.gz	BVURBMNYPHTPDL-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCC[NH+](CCC)CCC	1209201687	762291223	/nfs/dbraw/zinc/29/12/23/762291223.db2.gz	QHNWXMMPNALXQF-UHFFFAOYSA-N	1	0	183.339	3.465	10	30		AGEERO
C=CCCCC[NH+]1CCC(C)(C)CC1	1209202275	762291313	/nfs/dbraw/zinc/29/13/13/762291313.db2.gz	FLCQFZKMSCDHOA-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@H](CC)C1	1209204954	762291380	/nfs/dbraw/zinc/29/13/80/762291380.db2.gz	MXIXKXBDDOAMDZ-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCCC[NH+]1CCCCCC1	1209201725	762291408	/nfs/dbraw/zinc/29/14/08/762291408.db2.gz	PCEVTOAUYFTERJ-UHFFFAOYSA-N	1	0	181.323	3.219	10	30		AGEERO
C=CCCCC[NH+]1C[C@@H](C)C[C@H](C)C1	1209204816	762291445	/nfs/dbraw/zinc/29/14/45/762291445.db2.gz	KDJIKNCAFRZHLZ-STQMWFEESA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCC[N@@H+](C)C(CC)CC	1209204467	762291550	/nfs/dbraw/zinc/29/15/50/762291550.db2.gz	DVGOOKABIZEWRS-UHFFFAOYSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](C)C[C@@H]1C	1209205044	762291748	/nfs/dbraw/zinc/29/17/48/762291748.db2.gz	QHWHUYPUCCORQB-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](C)C[C@@H]1C	1209205230	762292057	/nfs/dbraw/zinc/29/20/57/762292057.db2.gz	QHWHUYPUCCORQB-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](C)C[C@H]1C	1209205043	762292239	/nfs/dbraw/zinc/29/22/39/762292239.db2.gz	QHWHUYPUCCORQB-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@@H](CC)C1	1209204953	762292443	/nfs/dbraw/zinc/29/24/43/762292443.db2.gz	MXIXKXBDDOAMDZ-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCCCC[N@H+]1CCC[C@H](F)C1	1209427606	762310635	/nfs/dbraw/zinc/31/06/35/762310635.db2.gz	VDLLIFUMFVCVDQ-LBPRGKRZSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CCCCCC[NH+]1CC(C)(C)C1	1209423766	762311271	/nfs/dbraw/zinc/31/12/71/762311271.db2.gz	YPIRETJNKGEOKT-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCCCC[NH+]1CCC(F)CC1	1209422980	762311327	/nfs/dbraw/zinc/31/13/27/762311327.db2.gz	BRGKGJVLIMQUSC-UHFFFAOYSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CCCCCCC[NH+]1CC(C)C1	1209431210	762311538	/nfs/dbraw/zinc/31/15/38/762311538.db2.gz	JKIHKWJZNRSGAP-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCCCC[N@H+]1CCC[C@@H](F)C1	1209427605	762311704	/nfs/dbraw/zinc/31/17/04/762311704.db2.gz	VDLLIFUMFVCVDQ-GFCCVEGCSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CCCCCC[N@@H+]1CCC[C@@H]2C[C@@H]21	1209432504	762312862	/nfs/dbraw/zinc/31/28/62/762312862.db2.gz	FVZHSZIZQSDDSA-OLZOCXBDSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCCCCC[N@@H+](C)CC	1209430769	762313076	/nfs/dbraw/zinc/31/30/76/762313076.db2.gz	CBYIVUGWDMBXBT-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=CCCCCCC[N@H+]1CC[C@H]1C	1209431929	762313268	/nfs/dbraw/zinc/31/32/68/762313268.db2.gz	VZHYHXFTHPWXEP-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCCCC[N@@H+](C)C(C)C	1209431455	762313394	/nfs/dbraw/zinc/31/33/94/762313394.db2.gz	OGWOOXHGSIIWSP-UHFFFAOYSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCCCCCC[N@H+]1CC[C@@H]1C	1209431930	762313526	/nfs/dbraw/zinc/31/35/26/762313526.db2.gz	VZHYHXFTHPWXEP-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCCCC[N@@H+](C)C1CC1	1209430773	762313883	/nfs/dbraw/zinc/31/38/83/762313883.db2.gz	CECFKYHTRLTTOK-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCCCC[N@@H+](C)CCC	1209431451	762313912	/nfs/dbraw/zinc/31/39/12/762313912.db2.gz	OFEIDDZCZOEDFT-UHFFFAOYSA-N	1	0	183.339	3.465	10	30		AGEERO
C=CCCCCC[N@H+]1C[C@@H](C)[C@@H](F)C1	1209423372	762314631	/nfs/dbraw/zinc/31/46/31/762314631.db2.gz	NDHDPTWEDKHOTE-NEPJUHHUSA-N	1	0	199.313	3.023	10	30		AGEERO
C=CCCCCCC[N@H+](C)CCF	1209438051	762316967	/nfs/dbraw/zinc/31/69/67/762316967.db2.gz	DGDOLYVVGHNOCL-UHFFFAOYSA-N	1	0	187.302	3.024	10	30		AGEERO
C=CCCCCCC[N@@H+](C)CC=C	1209436010	762317685	/nfs/dbraw/zinc/31/76/85/762317685.db2.gz	MDMHSUAPYTXIQJ-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CC[NH2+]C(CC(C)C)CC(C)C	20562044	1169063676	/nfs/dbraw/zinc/06/36/76/1169063676.db2.gz	FGJZEARYXBLYGI-UHFFFAOYSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCCCCCCC[NH+](C)C	79789272	1169103536	/nfs/dbraw/zinc/10/35/36/1169103536.db2.gz	NOGJTIYPIIDDAP-UHFFFAOYSA-N	1	0	183.339	3.465	10	30		AGEERO
C=C(CC)C[NH2+]C1C[C@H](C)C[C@@H](C)C1	85058807	1169119337	/nfs/dbraw/zinc/11/93/37/1169119337.db2.gz	WYQZLDXOPHUDBI-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@H]([NH3+])CCC	106565628	1169141080	/nfs/dbraw/zinc/14/10/80/1169141080.db2.gz	QPXKYHCFSQPEFS-LLVKDONJSA-N	1	0	171.328	3.474	10	30		AGEERO
C#CCC[NH2+][C@@H](C)CCCCCCC	112093461	1169146036	/nfs/dbraw/zinc/14/60/36/1169146036.db2.gz	RDFQKKSIVMTZMM-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
CCCCCCCC[N@H+](C)CC	113518748	1169149714	/nfs/dbraw/zinc/14/97/14/1169149714.db2.gz	VBESUKCLGKGCEM-UHFFFAOYSA-N	1	0	171.328	3.299	10	30		AGEERO
CCCCCCC[NH2+]CC1(F)CC1	308479492	673931185	/nfs/dbraw/zinc/93/11/85/673931185.db2.gz	MVMOYICNTWOEDP-UHFFFAOYSA-N	1	0	187.302	3.049	10	30		AGEERO
CC#CCC[NH2+][C@@H](CC)C[C@@H](C)CC	125468188	1169169123	/nfs/dbraw/zinc/16/91/23/1169169123.db2.gz	HGZVJINNLBTEHY-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
CC#CCC[NH2+][C@H](CC)C[C@H](C)CC	125467568	1169170586	/nfs/dbraw/zinc/17/05/86/1169170586.db2.gz	HGZVJINNLBTEHY-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
CC#CCC[NH2+][C@H](CC)C[C@@H](C)CC	125467766	1169171411	/nfs/dbraw/zinc/17/14/11/1169171411.db2.gz	HGZVJINNLBTEHY-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
CC#CCC[NH2+][C@@H](CC)C[C@H](C)CC	125467965	1169171841	/nfs/dbraw/zinc/17/18/41/1169171841.db2.gz	HGZVJINNLBTEHY-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H](C)C(C)(C)C	134087183	1169187617	/nfs/dbraw/zinc/18/76/17/1169187617.db2.gz	ZMZRTPHHSOIKMJ-QWRGUYRKSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)C(C)(C)C	134087347	1169188388	/nfs/dbraw/zinc/18/83/88/1169188388.db2.gz	ZMZRTPHHSOIKMJ-MNOVXSKESA-N	1	0	183.339	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccoc1	134898457	1169189586	/nfs/dbraw/zinc/18/95/86/1169189586.db2.gz	IIZFXYOLAQQEJL-MNOVXSKESA-N	1	0	193.290	3.285	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H](C)c1ccoc1	134898435	1169190150	/nfs/dbraw/zinc/19/01/50/1169190150.db2.gz	IIZFXYOLAQQEJL-QWRGUYRKSA-N	1	0	193.290	3.285	10	30		AGEERO
CC(C)=CCC[C@H](C)[NH2+][C@@H](C)CC#N	134975249	1169190391	/nfs/dbraw/zinc/19/03/91/1169190391.db2.gz	LBJAZOBSNLJTNV-RYUDHWBXSA-N	1	0	194.322	3.013	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H](C)c1ccoc1	134898497	1169191331	/nfs/dbraw/zinc/19/13/31/1169191331.db2.gz	IIZFXYOLAQQEJL-GHMZBOCLSA-N	1	0	193.290	3.285	10	30		AGEERO
CC(C)=CCC[C@@H](C)[NH2+][C@@H](C)CC#N	134975273	1169192047	/nfs/dbraw/zinc/19/20/47/1169192047.db2.gz	LBJAZOBSNLJTNV-NEPJUHHUSA-N	1	0	194.322	3.013	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H](C)c1ccoc1	134898479	1169192059	/nfs/dbraw/zinc/19/20/59/1169192059.db2.gz	IIZFXYOLAQQEJL-WDEREUQCSA-N	1	0	193.290	3.285	10	30		AGEERO
C=CC[N@@H+](CCC)C1CCCCC1	140325495	1169202253	/nfs/dbraw/zinc/20/22/53/1169202253.db2.gz	ILSXEECWGOFVPU-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
CCCCCCC[N@H+](C)C(C)C	141787081	1169207380	/nfs/dbraw/zinc/20/73/80/1169207380.db2.gz	ZMCQHFYXHICMEV-UHFFFAOYSA-N	1	0	171.328	3.297	10	30		AGEERO
CCCCCCCCC[NH+]1CCC1	141830579	1169207756	/nfs/dbraw/zinc/20/77/56/1169207756.db2.gz	PZCWEAJKGKLXJU-UHFFFAOYSA-N	1	0	183.339	3.443	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)[C@]12CCCC[C@H]1C2	709240681	673992977	/nfs/dbraw/zinc/99/29/77/673992977.db2.gz	XVIQCJHNVPTIHA-FRRDWIJNSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC[NH2+][C@H](C)[C@@]12CCCC[C@@H]1C2	709232836	673993187	/nfs/dbraw/zinc/99/31/87/673993187.db2.gz	MFBLFPWBAFCSCE-UPJWGTAASA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)[C@@]12CCCC[C@@H]1C2	709240688	673993451	/nfs/dbraw/zinc/99/34/51/673993451.db2.gz	XVIQCJHNVPTIHA-UPJWGTAASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC[NH2+][C@H](C)[C@]12CCCC[C@H]1C2	709232831	673993456	/nfs/dbraw/zinc/99/34/56/673993456.db2.gz	MFBLFPWBAFCSCE-FRRDWIJNSA-N	1	0	193.334	3.121	10	30		AGEERO
CCCCCCC[N@@H+]1CC[C@H](C)C1	144619818	1169220845	/nfs/dbraw/zinc/22/08/45/1169220845.db2.gz	WXDDVUMOXNUMNI-LBPRGKRZSA-N	1	0	183.339	3.299	10	30		AGEERO
CCCCCCC[N@@H+]1CCC[C@H]1C	144617569	1169220925	/nfs/dbraw/zinc/22/09/25/1169220925.db2.gz	JCAKLQVLAKNVNR-GFCCVEGCSA-N	1	0	183.339	3.441	10	30		AGEERO
CCCCCCC[N@@H+]1CCC[C@@H]1C	144617352	1169221068	/nfs/dbraw/zinc/22/10/68/1169221068.db2.gz	JCAKLQVLAKNVNR-LBPRGKRZSA-N	1	0	183.339	3.441	10	30		AGEERO
CCCCCCC[N@@H+]1CC[C@@H](C)C1	144619606	1169222690	/nfs/dbraw/zinc/22/26/90/1169222690.db2.gz	WXDDVUMOXNUMNI-GFCCVEGCSA-N	1	0	183.339	3.299	10	30		AGEERO
C=C(Cl)C[NH2+]C1(C2CCC2)CCC1	717869167	674006060	/nfs/dbraw/zinc/00/60/60/674006060.db2.gz	AFYFLFVRRKCENJ-UHFFFAOYSA-N	1	0	199.725	3.051	10	30		AGEERO
C=CC[C@H](C)[NH2+]C1(CC(C)C)CC1	715003329	674018260	/nfs/dbraw/zinc/01/82/60/674018260.db2.gz	CCRGGUVMEHFQRG-NSHDSACASA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCCC[NH2+]CCCCC(C)C	147466568	1169236353	/nfs/dbraw/zinc/23/63/53/1169236353.db2.gz	IUUDWHLEEILZBA-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H]1CCCC2(CC2)C1	715006514	674018414	/nfs/dbraw/zinc/01/84/14/674018414.db2.gz	UWNHXFIRASBLAZ-NEPJUHHUSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@@H](C)[NH2+]C1(CC(C)C)CC1	715003328	674018493	/nfs/dbraw/zinc/01/84/93/674018493.db2.gz	CCRGGUVMEHFQRG-LLVKDONJSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C(CC)C[NH2+]CCCCC(C)C	147441769	1169236703	/nfs/dbraw/zinc/23/67/03/1169236703.db2.gz	OIWSIIJODMZAMA-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCCC2(CC2)C1	715006518	674018811	/nfs/dbraw/zinc/01/88/11/674018811.db2.gz	UWNHXFIRASBLAZ-NWDGAFQWSA-N	1	0	193.334	3.263	10	30		AGEERO
C=C(C)C[NH2+][C@H](CC)C[C@H](C)CC	160301455	1169259979	/nfs/dbraw/zinc/25/99/79/1169259979.db2.gz	SPZMKXQVIPRUCJ-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H](CC)CCCC	160306490	1169260144	/nfs/dbraw/zinc/26/01/44/1169260144.db2.gz	FPFZVVULJXYAQJ-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@@H](CC)C[C@H](C)CC	160301697	1169260323	/nfs/dbraw/zinc/26/03/23/1169260323.db2.gz	SPZMKXQVIPRUCJ-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[NH2+]C(CCC)CCC	160305751	1169260583	/nfs/dbraw/zinc/26/05/83/1169260583.db2.gz	FXSWIQCJRZJCBK-UHFFFAOYSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@@H](CC)C[C@@H](C)CC	160301847	1169260807	/nfs/dbraw/zinc/26/08/07/1169260807.db2.gz	SPZMKXQVIPRUCJ-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@H](CC)C[C@@H](C)CC	160301584	1169260935	/nfs/dbraw/zinc/26/09/35/1169260935.db2.gz	SPZMKXQVIPRUCJ-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@H](CC)CCCC	160306378	1169260945	/nfs/dbraw/zinc/26/09/45/1169260945.db2.gz	FPFZVVULJXYAQJ-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC[NH2+]C1CC(C)(C)CC(C)(C)C1	160442502	1169261816	/nfs/dbraw/zinc/26/18/16/1169261816.db2.gz	FNJIUSLKQIVWDX-UHFFFAOYSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC(C)(C)[NH2+]Cc1ccoc1	717892570	674057170	/nfs/dbraw/zinc/05/71/70/674057170.db2.gz	AJBARMQKSJWJKD-UHFFFAOYSA-N	1	0	193.290	3.114	10	30		AGEERO
C=CC[C@H](C)[NH2+]C1(C2CCC2)CCC1	717884406	674057311	/nfs/dbraw/zinc/05/73/11/674057311.db2.gz	FLUPKXKEXRPPLR-NSHDSACASA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@@H](C)[NH2+]C1(C2CCC2)CCC1	717884404	674057366	/nfs/dbraw/zinc/05/73/66/674057366.db2.gz	FLUPKXKEXRPPLR-LLVKDONJSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@@H](CC)[NH2+]Cc1cc(C)co1	718044224	674058008	/nfs/dbraw/zinc/05/80/08/674058008.db2.gz	MGPCFVOLYZJYGB-LLVKDONJSA-N	1	0	193.290	3.032	10	30		AGEERO
C=CC[C@H](CC)[NH2+]Cc1cc(C)co1	718044229	674058102	/nfs/dbraw/zinc/05/81/02/674058102.db2.gz	MGPCFVOLYZJYGB-NSHDSACASA-N	1	0	193.290	3.032	10	30		AGEERO
C=CCCCC[NH2+]Cc1cc(C)co1	718112108	674059112	/nfs/dbraw/zinc/05/91/12/674059112.db2.gz	ZRZDHMWFYABITK-UHFFFAOYSA-N	1	0	193.290	3.034	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCC[C@@H](C)CC1	167454264	1169285172	/nfs/dbraw/zinc/28/51/72/1169285172.db2.gz	MZXYPQCHPSDQFR-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCC[C@H](C)CC1	167454375	1169286489	/nfs/dbraw/zinc/28/64/89/1169286489.db2.gz	MZXYPQCHPSDQFR-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCC[C@@H](C)CC1	167454045	1169286596	/nfs/dbraw/zinc/28/65/96/1169286596.db2.gz	MZXYPQCHPSDQFR-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCC[C@H](C)CC1	167454158	1169286640	/nfs/dbraw/zinc/28/66/40/1169286640.db2.gz	MZXYPQCHPSDQFR-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[NH2+]C1CCC(C(C)C)CC1	168531133	1169290229	/nfs/dbraw/zinc/29/02/29/1169290229.db2.gz	XGQALOWDXWJEMP-UHFFFAOYSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1	168527165	1169290412	/nfs/dbraw/zinc/29/04/12/1169290412.db2.gz	JQFQNSQBQBGOFZ-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1	168527352	1169290560	/nfs/dbraw/zinc/29/05/60/1169290560.db2.gz	JQFQNSQBQBGOFZ-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1	168527065	1169291028	/nfs/dbraw/zinc/29/10/28/1169291028.db2.gz	JQFQNSQBQBGOFZ-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1	168527245	1169291042	/nfs/dbraw/zinc/29/10/42/1169291042.db2.gz	JQFQNSQBQBGOFZ-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+]C1C[C@H](C)C[C@@H](C)C1	168995734	1169292481	/nfs/dbraw/zinc/29/24/81/1169292481.db2.gz	ZXGRATKOGDTANK-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1C	168974009	1169292577	/nfs/dbraw/zinc/29/25/77/1169292577.db2.gz	LDZUJJNTIHMIOZ-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)CC[NH2+]C1C[C@@H](C)C[C@H](C)C1	168995647	1169292724	/nfs/dbraw/zinc/29/27/24/1169292724.db2.gz	ZXGRATKOGDTANK-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1	168996109	1169292732	/nfs/dbraw/zinc/29/27/32/1169292732.db2.gz	FOHRJLJKZATYJE-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+]C[C@@H]1CCCC[C@H]1C	168973907	1169292856	/nfs/dbraw/zinc/29/28/56/1169292856.db2.gz	LDZUJJNTIHMIOZ-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)CC[NH2+]C[C@H]1CCCC[C@@H]1C	168973824	1169293339	/nfs/dbraw/zinc/29/33/39/1169293339.db2.gz	LDZUJJNTIHMIOZ-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1	168996021	1169293513	/nfs/dbraw/zinc/29/35/13/1169293513.db2.gz	FOHRJLJKZATYJE-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+]C[C@H]1CCCC[C@H]1C	168973729	1169293522	/nfs/dbraw/zinc/29/35/22/1169293522.db2.gz	LDZUJJNTIHMIOZ-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)CC[NH2+]CC1(C)CCCC1	168989720	1169293602	/nfs/dbraw/zinc/29/36/02/1169293602.db2.gz	MOLCCXTXBUAAPO-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=C1CCC(C[NH2+][C@H](C)C2CC2)CC1	724587143	674080615	/nfs/dbraw/zinc/08/06/15/674080615.db2.gz	YXZSUPIWFNCBTA-LLVKDONJSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C1CCC(C[NH2+][C@@H](C)C2CC2)CC1	724587144	674081027	/nfs/dbraw/zinc/08/10/27/674081027.db2.gz	YXZSUPIWFNCBTA-NSHDSACASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCCCCC[NH+]1CCCC1	202219698	1169306263	/nfs/dbraw/zinc/30/62/63/1169306263.db2.gz	XGDOABQRWXDFKR-UHFFFAOYSA-N	1	0	181.323	3.219	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(C)C	219754756	1169344698	/nfs/dbraw/zinc/34/46/98/1169344698.db2.gz	CXUGIMZWIVTAPG-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(C)C	219754689	1169345209	/nfs/dbraw/zinc/34/52/09/1169345209.db2.gz	CXUGIMZWIVTAPG-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(C)C	219754608	1169347090	/nfs/dbraw/zinc/34/70/90/1169347090.db2.gz	CXUGIMZWIVTAPG-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]1[NH2+]CC(C)C	219754533	1169347995	/nfs/dbraw/zinc/34/79/95/1169347995.db2.gz	CXUGIMZWIVTAPG-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+]CC1CCC(CCC)CC1	222725918	1169356466	/nfs/dbraw/zinc/35/64/66/1169356466.db2.gz	SQWULVILLVPJFT-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C#CCCC[NH2+][C@H](CCC)CCCC	224306175	1169365677	/nfs/dbraw/zinc/36/56/77/1169365677.db2.gz	NSCXWZAPVPNFPF-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C#CCCC[NH2+][C@@H](CCC)CCCC	224306127	1169367106	/nfs/dbraw/zinc/36/71/06/1169367106.db2.gz	NSCXWZAPVPNFPF-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
CCCC[C@H](CCC)[NH2+][C@@H](C)CC#N	226196150	1169374068	/nfs/dbraw/zinc/37/40/68/1169374068.db2.gz	VDHSBBBASRLZCK-RYUDHWBXSA-N	1	0	196.338	3.237	10	30		AGEERO
CCCC[C@@H](CCC)[NH2+][C@@H](C)CC#N	226196141	1169375670	/nfs/dbraw/zinc/37/56/70/1169375670.db2.gz	VDHSBBBASRLZCK-NWDGAFQWSA-N	1	0	196.338	3.237	10	30		AGEERO
C=C(C)CC[NH2+]CC(C(C)C)C(C)C	229551130	1169391211	/nfs/dbraw/zinc/39/12/11/1169391211.db2.gz	CGDPVLUFDUVHLM-UHFFFAOYSA-N	1	0	197.366	3.470	10	30		AGEERO
C=C(CC)C[NH2+]CC(C(C)C)C(C)C	229548785	1169391651	/nfs/dbraw/zinc/39/16/51/1169391651.db2.gz	RAOVTKDHHCVRCX-UHFFFAOYSA-N	1	0	197.366	3.470	10	30		AGEERO
CCCC[C@H](CCC)[NH2+]CCCC#N	230405233	1169398145	/nfs/dbraw/zinc/39/81/45/1169398145.db2.gz	KHBMXSGIKFRIGK-LBPRGKRZSA-N	1	0	196.338	3.239	10	30		AGEERO
CCCC[C@@H](CCC)[NH2+]CCCC#N	230405230	1169398961	/nfs/dbraw/zinc/39/89/61/1169398961.db2.gz	KHBMXSGIKFRIGK-GFCCVEGCSA-N	1	0	196.338	3.239	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1	230764490	1169401278	/nfs/dbraw/zinc/40/12/78/1169401278.db2.gz	ZNTIXWUVEHNXQX-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@H](CC(C)C)C1	230764496	1169401250	/nfs/dbraw/zinc/40/12/50/1169401250.db2.gz	ZNTIXWUVEHNXQX-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@H]1CCC[C@@H](CC(C)C)C1	230764493	1169401644	/nfs/dbraw/zinc/40/16/44/1169401644.db2.gz	ZNTIXWUVEHNXQX-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@H]1CCC[C@H](CC(C)C)C1	230764497	1169401731	/nfs/dbraw/zinc/40/17/31/1169401731.db2.gz	ZNTIXWUVEHNXQX-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+]C[C@H]1CCC[C@@H](C)C1	232827262	1169409203	/nfs/dbraw/zinc/40/92/03/1169409203.db2.gz	UZLGJJUHYLWNQU-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[NH2+]C[C@H]1CCC[C@H](C)C1	232827304	1169409393	/nfs/dbraw/zinc/40/93/93/1169409393.db2.gz	UZLGJJUHYLWNQU-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[NH2+]C[C@@H]1CCC[C@H](C)C1	232826832	1169409691	/nfs/dbraw/zinc/40/96/91/1169409691.db2.gz	UZLGJJUHYLWNQU-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[NH2+]C[C@@H]1CCC[C@@H](C)C1	232826786	1169410756	/nfs/dbraw/zinc/41/07/56/1169410756.db2.gz	UZLGJJUHYLWNQU-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1	251254880	1169429315	/nfs/dbraw/zinc/42/93/15/1169429315.db2.gz	WYQZLDXOPHUDBI-ITGUQSILSA-N	1	0	195.350	3.367	10	30		AGEERO
CC[C@H](C)C[C@@H](C)[NH2+][C@H](CC)CC#N	251750293	1169430558	/nfs/dbraw/zinc/43/05/58/1169430558.db2.gz	GWRVCMCOVKAYBD-QJPTWQEYSA-N	1	0	196.338	3.093	10	30		AGEERO
CC[C@H](C)C[C@H](C)[NH2+][C@H](CC)CC#N	251750295	1169431262	/nfs/dbraw/zinc/43/12/62/1169431262.db2.gz	GWRVCMCOVKAYBD-SDDRHHMPSA-N	1	0	196.338	3.093	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1	253237518	1169436070	/nfs/dbraw/zinc/43/60/70/1169436070.db2.gz	FOHRJLJKZATYJE-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1	253237519	1169436420	/nfs/dbraw/zinc/43/64/20/1169436420.db2.gz	FOHRJLJKZATYJE-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1C[C@@H](C)C[C@@H](C)C1	253350067	1169436623	/nfs/dbraw/zinc/43/66/23/1169436623.db2.gz	ZXGRATKOGDTANK-ITGUQSILSA-N	1	0	195.350	3.367	10	30		AGEERO
C#CCCC[NH+]1CCCCCCCC1	306179390	1169465287	/nfs/dbraw/zinc/46/52/87/1169465287.db2.gz	GSYMRMOQMUKDSN-UHFFFAOYSA-N	1	0	193.334	3.056	10	30		AGEERO
CCC[N@H+](CC(C)C)[C@H](CC)CC#N	308481005	1169550197	/nfs/dbraw/zinc/55/01/97/1169550197.db2.gz	MNPWWIRLKJQXME-GFCCVEGCSA-N	1	0	196.338	3.047	10	30		AGEERO
CCC[N@H+](CC(C)C)[C@@H](CC)CC#N	308481006	1169550377	/nfs/dbraw/zinc/55/03/77/1169550377.db2.gz	MNPWWIRLKJQXME-LBPRGKRZSA-N	1	0	196.338	3.047	10	30		AGEERO
CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CC#N	308593860	1169551783	/nfs/dbraw/zinc/55/17/83/1169551783.db2.gz	LMSNKDPIBIPDDY-SRVKXCTJSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CCC1(C[NH2+]CC(C)C)CCCC1	319997745	1169554617	/nfs/dbraw/zinc/55/46/17/1169554617.db2.gz	PJGBHCVBEUEDAC-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[N@@H+](CC)[C@@H]1CC[C@H](C)C1	379357080	1169574839	/nfs/dbraw/zinc/57/48/39/1169574839.db2.gz	QJLTZPKKBPAJJX-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](CC)[C@@H]1CC[C@@H](C)C1	379357082	1169575519	/nfs/dbraw/zinc/57/55/19/1169575519.db2.gz	QJLTZPKKBPAJJX-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](CC)[C@H]1CC[C@H](C)C1	379357081	1169576794	/nfs/dbraw/zinc/57/67/94/1169576794.db2.gz	QJLTZPKKBPAJJX-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](CC)[C@H]1CC[C@@H](C)C1	379357079	1169577553	/nfs/dbraw/zinc/57/75/53/1169577553.db2.gz	QJLTZPKKBPAJJX-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+]CCC#CC	379646225	1169592464	/nfs/dbraw/zinc/59/24/64/1169592464.db2.gz	YHHXHUZMLHSEEI-CYBMUJFWSA-N	1	0	193.334	3.124	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+]CCC#CC	379646226	1169594098	/nfs/dbraw/zinc/59/40/98/1169594098.db2.gz	YHHXHUZMLHSEEI-ZDUSSCGKSA-N	1	0	193.334	3.124	10	30		AGEERO
C#C[C@](C)(CC)[NH2+]CCCCCC=C	384147836	1169604062	/nfs/dbraw/zinc/60/40/62/1169604062.db2.gz	GCAHISPXWDKIAP-CYBMUJFWSA-N	1	0	193.334	3.124	10	30		AGEERO
C#C[C@](C)(CC)[NH2+]CCCCCCC	384179377	1169604542	/nfs/dbraw/zinc/60/45/42/1169604542.db2.gz	PMBIBTKZLMMJPI-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+]C[C@H](C)C(C)(C)C	384160177	1169604850	/nfs/dbraw/zinc/60/48/50/1169604850.db2.gz	JOYNLOIDOMNZLS-AAEUAGOBSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@](C)(CC)[NH2+]C[C@@H](C)C(C)(C)C	384160178	1169605098	/nfs/dbraw/zinc/60/50/98/1169605098.db2.gz	JOYNLOIDOMNZLS-DGCLKSJQSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+]CCCC(C)(C)C	384135737	1169605278	/nfs/dbraw/zinc/60/52/78/1169605278.db2.gz	BVELFZRYQKXVNJ-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+]C[C@@H](C)C(C)(C)C	384160181	1169605937	/nfs/dbraw/zinc/60/59/37/1169605937.db2.gz	JOYNLOIDOMNZLS-YPMHNXCESA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+]CCCCCCC	384179378	1169606273	/nfs/dbraw/zinc/60/62/73/1169606273.db2.gz	PMBIBTKZLMMJPI-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+]CCCCCC=C	384147926	1169606293	/nfs/dbraw/zinc/60/62/93/1169606293.db2.gz	GCAHISPXWDKIAP-ZDUSSCGKSA-N	1	0	193.334	3.124	10	30		AGEERO
C#C[C@](C)(CC)[NH2+]CCCC(C)(C)C	384135643	1169606304	/nfs/dbraw/zinc/60/63/04/1169606304.db2.gz	BVELFZRYQKXVNJ-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@](C)(CC)[NH2+]C[C@H](C)C(C)(C)C	384160179	1169606417	/nfs/dbraw/zinc/60/64/17/1169606417.db2.gz	JOYNLOIDOMNZLS-WCQYABFASA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@H]([NH2+][C@@H](C)CC(C)(C)C)C(C)C	384860192	1169607139	/nfs/dbraw/zinc/60/71/39/1169607139.db2.gz	GZQKLDZMAKMMLF-RYUDHWBXSA-N	1	0	195.350	3.059	10	30		AGEERO
C#C[C@H]([NH2+][C@H](C)CC(C)(C)C)C(C)C	384860190	1169607201	/nfs/dbraw/zinc/60/72/01/1169607201.db2.gz	GZQKLDZMAKMMLF-NEPJUHHUSA-N	1	0	195.350	3.059	10	30		AGEERO
C=CC(C)(C)C[NH2+]C[C@H](C)C(C)(C)C	384927530	1169607218	/nfs/dbraw/zinc/60/72/18/1169607218.db2.gz	GQWBZVFISSLRCA-NSHDSACASA-N	1	0	197.366	3.470	10	30		AGEERO
C=CC(C)(C)C[NH2+]CC1(C)CCCC1	384916612	1169607445	/nfs/dbraw/zinc/60/74/45/1169607445.db2.gz	FNXMNAFTCYJXQW-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C#C[C@@H]([NH2+][C@H](C)CC(C)(C)C)C(C)C	384860193	1169607799	/nfs/dbraw/zinc/60/77/99/1169607799.db2.gz	GZQKLDZMAKMMLF-VXGBXAGGSA-N	1	0	195.350	3.059	10	30		AGEERO
C=CC(C)(C)C[NH2+]C[C@@H](C)C(C)(C)C	384927528	1169607860	/nfs/dbraw/zinc/60/78/60/1169607860.db2.gz	GQWBZVFISSLRCA-LLVKDONJSA-N	1	0	197.366	3.470	10	30		AGEERO
C#C[C@@H]([NH2+][C@@H](C)CC(C)(C)C)C(C)C	384860191	1169608036	/nfs/dbraw/zinc/60/80/36/1169608036.db2.gz	GZQKLDZMAKMMLF-NWDGAFQWSA-N	1	0	195.350	3.059	10	30		AGEERO
C=CC(C)(C)C[NH2+]C[C@@H](C)CC(C)C	385055859	1169609595	/nfs/dbraw/zinc/60/95/95/1169609595.db2.gz	SBKXPKJZIMDNAI-LBPRGKRZSA-N	1	0	197.366	3.470	10	30		AGEERO
C=CC(C)(C)C[NH2+]CC1CCCCC1	385057480	1169610898	/nfs/dbraw/zinc/61/08/98/1169610898.db2.gz	SMGQCLRWXAZLAJ-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC(C)(C)C[NH2+]C[C@H](C)CC(C)C	385055858	1169611048	/nfs/dbraw/zinc/61/10/48/1169611048.db2.gz	SBKXPKJZIMDNAI-GFCCVEGCSA-N	1	0	197.366	3.470	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C	386883216	1169613886	/nfs/dbraw/zinc/61/38/86/1169613886.db2.gz	MLLDMUIDRIWKJA-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C	386883213	1169614128	/nfs/dbraw/zinc/61/41/28/1169614128.db2.gz	MLLDMUIDRIWKJA-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C	386883214	1169614366	/nfs/dbraw/zinc/61/43/66/1169614366.db2.gz	MLLDMUIDRIWKJA-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C	386883217	1169614587	/nfs/dbraw/zinc/61/45/87/1169614587.db2.gz	MLLDMUIDRIWKJA-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H](C)[N@H+](CC)CC(=C)C	388290093	1169623138	/nfs/dbraw/zinc/62/31/38/1169623138.db2.gz	VBSZWMKXNNNQEV-LBPRGKRZSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CCC[C@@H](C)[N@H+](CC)CC(=C)C	388290092	1169621777	/nfs/dbraw/zinc/62/17/77/1169621777.db2.gz	VBSZWMKXNNNQEV-GFCCVEGCSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@H](CC)C1	388627020	1169628726	/nfs/dbraw/zinc/62/87/26/1169628726.db2.gz	JLDXCJAHJBOLBO-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@@H](CC)C1	388627023	1169628888	/nfs/dbraw/zinc/62/88/88/1169628888.db2.gz	JLDXCJAHJBOLBO-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@@H](CC)C1	388627019	1169629233	/nfs/dbraw/zinc/62/92/33/1169629233.db2.gz	JLDXCJAHJBOLBO-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[NH+]1CCC(CCC)CC1	388593524	1169629692	/nfs/dbraw/zinc/62/96/92/1169629692.db2.gz	BQKJTXKOIANOCQ-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@H](CC)C1	388627022	1169629788	/nfs/dbraw/zinc/62/97/88/1169629788.db2.gz	JLDXCJAHJBOLBO-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCC[NH2+][C@@H](C)C1(C)CC1	388629796	1169630168	/nfs/dbraw/zinc/63/01/68/1169630168.db2.gz	KLNCAMLJXNKRPW-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCC[NH2+][C@H](C)C1(C)CC1	388629795	1169630673	/nfs/dbraw/zinc/63/06/73/1169630673.db2.gz	KLNCAMLJXNKRPW-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCNc1[nH+]cc(C)cc1C	394790925	1169649155	/nfs/dbraw/zinc/64/91/55/1169649155.db2.gz	WTALJQJSVGKTFI-UHFFFAOYSA-N	1	0	190.290	3.077	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CC(C)(C)C[C@H]1C	395732678	1169652511	/nfs/dbraw/zinc/65/25/11/1169652511.db2.gz	OUMMYSDYLMZJHA-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+]C[C@@H](C)CC(C)C	395245854	1169653361	/nfs/dbraw/zinc/65/33/61/1169653361.db2.gz	XNKGWPRTONTVBY-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(C)CC[NH2+][C@H]1CC(C)(C)C[C@H]1C	395732672	1169653436	/nfs/dbraw/zinc/65/34/36/1169653436.db2.gz	OUMMYSDYLMZJHA-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+]C[C@H](C)CC(C)C	395245849	1169653646	/nfs/dbraw/zinc/65/36/46/1169653646.db2.gz	XNKGWPRTONTVBY-OLZOCXBDSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@](C)(CC)[NH2+]C[C@H](C)CC(C)C	395245843	1169653742	/nfs/dbraw/zinc/65/37/42/1169653742.db2.gz	XNKGWPRTONTVBY-CHWSQXEVSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(C)CC[NH2+][C@H]1CC(C)(C)C[C@@H]1C	395732677	1169654305	/nfs/dbraw/zinc/65/43/05/1169654305.db2.gz	OUMMYSDYLMZJHA-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C	395732675	1169654520	/nfs/dbraw/zinc/65/45/20/1169654520.db2.gz	OUMMYSDYLMZJHA-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C#C[C@](C)(CC)[NH2+]C[C@@H](C)CC(C)C	395245852	1169654634	/nfs/dbraw/zinc/65/46/34/1169654634.db2.gz	XNKGWPRTONTVBY-QWHCGFSZSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CCCC[NH2+][C@H](CC)[C@H]1CC1(C)C	397587977	1169663200	/nfs/dbraw/zinc/66/32/00/1169663200.db2.gz	HSGWKECNSCHZTO-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@H](CC)[C@@H]1CC1(C)C	397587973	1169662671	/nfs/dbraw/zinc/66/26/71/1169662671.db2.gz	HSGWKECNSCHZTO-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H](CC)[C@H]1CC1(C)C	397587972	1169662702	/nfs/dbraw/zinc/66/27/02/1169662702.db2.gz	HSGWKECNSCHZTO-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H](CC)[C@@H]1CC1(C)C	397639534	1169662850	/nfs/dbraw/zinc/66/28/50/1169662850.db2.gz	XGSUIJBGKJHGOK-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@H](CC)[C@H]1CC1(C)C	397639535	1169663007	/nfs/dbraw/zinc/66/30/07/1169663007.db2.gz	XGSUIJBGKJHGOK-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H](CC)[C@H]1CC1(C)C	397639532	1169663023	/nfs/dbraw/zinc/66/30/23/1169663023.db2.gz	XGSUIJBGKJHGOK-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@H](CC)[C@@H]1CC1(C)C	397639533	1169663081	/nfs/dbraw/zinc/66/30/81/1169663081.db2.gz	XGSUIJBGKJHGOK-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H](CC)[C@@H]1CC1(C)C	397587975	1169663088	/nfs/dbraw/zinc/66/30/88/1169663088.db2.gz	HSGWKECNSCHZTO-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCNc1cc(C)cc(C)[nH+]1	708019762	1169717652	/nfs/dbraw/zinc/71/76/52/1169717652.db2.gz	XMEHHENOODCIOF-UHFFFAOYSA-N	1	0	190.290	3.077	10	30		AGEERO
C=CCCC[NH2+][C@H]1C[C@@H]2CCCC[C@@H]21	712365456	1169729397	/nfs/dbraw/zinc/72/93/97/1169729397.db2.gz	KUHQRRCGKJTTNE-AVGNSLFASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1C[C@@H]2CCCC[C@@H]21	712365457	1169731221	/nfs/dbraw/zinc/73/12/21/1169731221.db2.gz	KUHQRRCGKJTTNE-RWMBFGLXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@@H]2CCC[C@@H]21	722046446	1169766304	/nfs/dbraw/zinc/76/63/04/1169766304.db2.gz	VFYGBYXJOOKTAK-RWMBFGLXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C1CCC(C[NH2+]CC(C)(C)C)CC1	724586515	1169770375	/nfs/dbraw/zinc/77/03/75/1169770375.db2.gz	RAPAWDIEGFCUTC-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[N@@H+](C(CC)CC)C(C)(C)C	1257304060	1169993772	/nfs/dbraw/zinc/99/37/72/1169993772.db2.gz	ZZQVWQFGAFKHID-UHFFFAOYSA-N	1	0	183.339	3.462	10	30		AGEERO
C=CC[N@@H+]([C@H](C)CCC)C(C)(C)C	1257323455	1170002746	/nfs/dbraw/zinc/00/27/46/1170002746.db2.gz	BSUXPBQPHJDDSO-LLVKDONJSA-N	1	0	183.339	3.462	10	30		AGEERO
C=CC[N@@H+]([C@@H](C)CCC)C(C)(C)C	1257323456	1170003918	/nfs/dbraw/zinc/00/39/18/1170003918.db2.gz	BSUXPBQPHJDDSO-NSHDSACASA-N	1	0	183.339	3.462	10	30		AGEERO
C=CC[N@@H+](C)[C@H](CC)CCCC	1257424542	1170019168	/nfs/dbraw/zinc/01/91/68/1170019168.db2.gz	GDYSIQQBFPBNLK-LLVKDONJSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[N@@H+](C)[C@@H](CC)CCCC	1257424547	1170019204	/nfs/dbraw/zinc/01/92/04/1170019204.db2.gz	GDYSIQQBFPBNLK-NSHDSACASA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[N@@H+]([C@H](C)CC)C(C)(C)C	1257446516	1170035553	/nfs/dbraw/zinc/03/55/53/1170035553.db2.gz	ODMHPQNZQDSALD-SNVBAGLBSA-N	1	0	169.312	3.071	10	30		AGEERO
C=CC[N@@H+]([C@@H](C)CC)C(C)(C)C	1257446515	1170036618	/nfs/dbraw/zinc/03/66/18/1170036618.db2.gz	ODMHPQNZQDSALD-JTQLQIEISA-N	1	0	169.312	3.071	10	30		AGEERO
C#CC(CC)(CC)[NH2+]C1CCCCC1	1257449128	1170036815	/nfs/dbraw/zinc/03/68/15/1170036815.db2.gz	WFHHACAIJFSOPP-UHFFFAOYSA-N	1	0	193.334	3.101	10	30		AGEERO
C=CC[NH2+][C@H](CC)CCCCC	1258432061	1170065688	/nfs/dbraw/zinc/06/56/88/1170065688.db2.gz	LYTGIYOVAVLUJK-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC[NH2+][C@@H](CC)CCCCC	1258432062	1170066283	/nfs/dbraw/zinc/06/62/83/1170066283.db2.gz	LYTGIYOVAVLUJK-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC[N@@H+](C)[C@@H](CC)CCCCC	1258446434	1170066356	/nfs/dbraw/zinc/06/63/56/1170066356.db2.gz	QUUCINDGGMITLV-LBPRGKRZSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CC[N@@H+](C)[C@H](CC)CCCCC	1258446433	1170066414	/nfs/dbraw/zinc/06/64/14/1170066414.db2.gz	QUUCINDGGMITLV-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CC[N@@H+]([C@@H](C)CC1CC1)C(C)(C)C	1258470049	1170076169	/nfs/dbraw/zinc/07/61/69/1170076169.db2.gz	KTTOOGFDNZFBDF-NSHDSACASA-N	1	0	195.350	3.462	10	30		AGEERO
C=C(C)C[N@@H+](CC)[C@H](C)CC1CC1	1258467682	1170076182	/nfs/dbraw/zinc/07/61/82/1170076182.db2.gz	KMPHKVUZBDYSCF-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](CC)[C@@H](C)CC1CC1	1258467683	1170076812	/nfs/dbraw/zinc/07/68/12/1170076812.db2.gz	KMPHKVUZBDYSCF-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@@H+]([C@H](C)CC1CC1)C(C)(C)C	1258470048	1170077552	/nfs/dbraw/zinc/07/75/52/1170077552.db2.gz	KTTOOGFDNZFBDF-LLVKDONJSA-N	1	0	195.350	3.462	10	30		AGEERO
C#CC(CC)(CC)[NH2+][C@@H](C)CCC=C	1258714400	1170086866	/nfs/dbraw/zinc/08/68/66/1170086866.db2.gz	NJLYNWPLCPDTQR-LBPRGKRZSA-N	1	0	193.334	3.123	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2	1258718546	1170087274	/nfs/dbraw/zinc/08/72/74/1170087274.db2.gz	PTEJGQQNXFJMHY-WUHRBBMRSA-N	1	0	193.334	3.119	10	30		AGEERO
C#CC(CC)(CC)[NH2+][C@H](C)CCC=C	1258714399	1170087430	/nfs/dbraw/zinc/08/74/30/1170087430.db2.gz	NJLYNWPLCPDTQR-GFCCVEGCSA-N	1	0	193.334	3.123	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2	1258718547	1170088061	/nfs/dbraw/zinc/08/80/61/1170088061.db2.gz	PTEJGQQNXFJMHY-YVECIDJPSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2	1258724190	1170088827	/nfs/dbraw/zinc/08/88/27/1170088827.db2.gz	PTEJGQQNXFJMHY-FVCCEPFGSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]C1(CC2CC2)CC1	1258723847	1170089396	/nfs/dbraw/zinc/08/93/96/1170089396.db2.gz	HFILWQKYGAEIME-LLVKDONJSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C1(CC2CC2)CC1	1258723848	1170090430	/nfs/dbraw/zinc/09/04/30/1170090430.db2.gz	HFILWQKYGAEIME-NSHDSACASA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2	1258724191	1170091146	/nfs/dbraw/zinc/09/11/46/1170091146.db2.gz	PTEJGQQNXFJMHY-QNWHQSFQSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+]1CCCC[C@@H]1C	1258725375	1170091833	/nfs/dbraw/zinc/09/18/33/1170091833.db2.gz	JPOIXJGRKFHBBX-NEPJUHHUSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCC[C@H](C)[N@@H+]1CCCC[C@@H]1C	1258725379	1170092273	/nfs/dbraw/zinc/09/22/73/1170092273.db2.gz	JPOIXJGRKFHBBX-RYUDHWBXSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+]1CCCC[C@H]1C	1258725387	1170093720	/nfs/dbraw/zinc/09/37/20/1170093720.db2.gz	JPOIXJGRKFHBBX-VXGBXAGGSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCC[C@H](C)[N@@H+]1CCCC[C@H]1C	1258725377	1170095288	/nfs/dbraw/zinc/09/52/88/1170095288.db2.gz	JPOIXJGRKFHBBX-NWDGAFQWSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC[C@](C)(CC)C1	1307582018	1170181801	/nfs/dbraw/zinc/18/18/01/1170181801.db2.gz	CSJOKMZNROTREI-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](C(C)C)C1	1307529150	1170181875	/nfs/dbraw/zinc/18/18/75/1170181875.db2.gz	HKZSIXAOZNVMID-ZDUSSCGKSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@@H](C(C)C)C1	1307693506	1170181955	/nfs/dbraw/zinc/18/19/55/1170181955.db2.gz	VHMCNOILPJGYNT-QWHCGFSZSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC[C@@](C)(CC)C1	1307582017	1170181967	/nfs/dbraw/zinc/18/19/67/1170181967.db2.gz	CSJOKMZNROTREI-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[N@@H+](C)CC12CCC(CC1)C2	1307687506	1170182064	/nfs/dbraw/zinc/18/20/64/1170182064.db2.gz	BZRGUZZGQZZNTE-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1CC	1307687711	1170182098	/nfs/dbraw/zinc/18/20/98/1170182098.db2.gz	BGIVKCZEFKEPEH-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C(C)C)C1	1307693504	1170182151	/nfs/dbraw/zinc/18/21/51/1170182151.db2.gz	VHMCNOILPJGYNT-CHWSQXEVSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@H](C(C)C)C1	1307693507	1170182344	/nfs/dbraw/zinc/18/23/44/1170182344.db2.gz	VHMCNOILPJGYNT-STQMWFEESA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCC[N@@H+](C)[C@@H]1CCCC[C@H]1CC	1307691243	1170182422	/nfs/dbraw/zinc/18/24/22/1170182422.db2.gz	ZMVAXKWKUNJEHC-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@@H+]1CCC(CC)(CC)C1	1307525902	1170182366	/nfs/dbraw/zinc/18/23/66/1170182366.db2.gz	BIOIBKFCSDBKAZ-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCC[N@@H+](C)[C@H]1CCCC[C@H]1CC	1307691244	1170182592	/nfs/dbraw/zinc/18/25/92/1170182592.db2.gz	ZMVAXKWKUNJEHC-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@@H+]1C[C@@H](C)CC[C@@H]1C	1307493640	1170182777	/nfs/dbraw/zinc/18/27/77/1170182777.db2.gz	ZGNDNNLOTCOOJQ-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@@H+](C)[C@H]1CCCC[C@@H]1CC	1307691309	1170182788	/nfs/dbraw/zinc/18/27/88/1170182788.db2.gz	ZMVAXKWKUNJEHC-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@H]1CCCC[C@@H]1CC	1307687712	1170183036	/nfs/dbraw/zinc/18/30/36/1170183036.db2.gz	BGIVKCZEFKEPEH-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@H](C(C)C)C1	1307693505	1170183098	/nfs/dbraw/zinc/18/30/98/1170183098.db2.gz	VHMCNOILPJGYNT-OLZOCXBDSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC[C@@](C)(CC)C1	1307582019	1170183234	/nfs/dbraw/zinc/18/32/34/1170183234.db2.gz	CSJOKMZNROTREI-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](C(C)C)C1	1307528853	1170183851	/nfs/dbraw/zinc/18/38/51/1170183851.db2.gz	HKZSIXAOZNVMID-CYBMUJFWSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@@H]1CCCC[C@H]1CC	1307687709	1170183951	/nfs/dbraw/zinc/18/39/51/1170183951.db2.gz	BGIVKCZEFKEPEH-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@@H+](CC)CCC1CC1	1307660298	1170184110	/nfs/dbraw/zinc/18/41/10/1170184110.db2.gz	PQTDLROAOYVEQA-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC[C@](C)(CC)C1	1307582016	1170184289	/nfs/dbraw/zinc/18/42/89/1170184289.db2.gz	CSJOKMZNROTREI-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[N@@H+]1C[C@H](C)CC[C@@H]1C	1307493634	1170184324	/nfs/dbraw/zinc/18/43/24/1170184324.db2.gz	ZGNDNNLOTCOOJQ-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@@H+]1C[C@H](C)CC[C@H]1C	1307493633	1170184335	/nfs/dbraw/zinc/18/43/35/1170184335.db2.gz	ZGNDNNLOTCOOJQ-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@@H+](C)[C@@H]1CCCC[C@@H]1CC	1307691307	1170184444	/nfs/dbraw/zinc/18/44/44/1170184444.db2.gz	ZMVAXKWKUNJEHC-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@H]1CCCC[C@H]1CC	1307687710	1170184598	/nfs/dbraw/zinc/18/45/98/1170184598.db2.gz	BGIVKCZEFKEPEH-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@@H+]1C[C@@H](C)CC[C@H]1C	1307493639	1170184608	/nfs/dbraw/zinc/18/46/08/1170184608.db2.gz	ZGNDNNLOTCOOJQ-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC(C)(C)C[C@@H]1C	1307845712	1170184754	/nfs/dbraw/zinc/18/47/54/1170184754.db2.gz	QJZJGEDCVGCWQC-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[N@@H+](CCCC1CC1)C(C)(C)C	1307939823	1170185144	/nfs/dbraw/zinc/18/51/44/1170185144.db2.gz	YKROBENHSYJNFJ-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
CC#CC[N@@H+](C)C[C@@H](CC)CCCC	1307806835	1170185185	/nfs/dbraw/zinc/18/51/85/1170185185.db2.gz	HYKUFKHGBHEVQA-ZDUSSCGKSA-N	1	0	195.350	3.158	10	30		AGEERO
CC#CC[N@@H+](C)C[C@H](CC)CCCC	1307806834	1170186129	/nfs/dbraw/zinc/18/61/29/1170186129.db2.gz	HYKUFKHGBHEVQA-CYBMUJFWSA-N	1	0	195.350	3.158	10	30		AGEERO
C=CCCCC[N@@H+]1C[C@H]2CCCC[C@H]21	1307901608	1170186350	/nfs/dbraw/zinc/18/63/50/1170186350.db2.gz	SYWGBRLEYUUNEM-CHWSQXEVSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCCC[N@@H+](CC)[C@@H](C)CC	1307923706	1170186835	/nfs/dbraw/zinc/18/68/35/1170186835.db2.gz	LZPYCBYSEHWTJY-LBPRGKRZSA-N	1	0	183.339	3.463	10	30		AGEERO
CCC#C[C@H](C)[N@H+](C)CCC(C)(C)C	1307874766	1170187031	/nfs/dbraw/zinc/18/70/31/1170187031.db2.gz	OAORTUDXDQNBIH-LBPRGKRZSA-N	1	0	195.350	3.156	10	30		AGEERO
CCC#C[C@@H](C)[N@H+](C)CCC(C)(C)C	1307874765	1170187242	/nfs/dbraw/zinc/18/72/42/1170187242.db2.gz	OAORTUDXDQNBIH-GFCCVEGCSA-N	1	0	195.350	3.156	10	30		AGEERO
C=C(CC)C[N@@H+]1[C@@H](C)CCC1(C)C	1307834111	1170187369	/nfs/dbraw/zinc/18/73/69/1170187369.db2.gz	HPMBSGJEAVUPEX-NSHDSACASA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[N@@H+](CC)C1CC(C)(C)C1	1307835626	1170187430	/nfs/dbraw/zinc/18/74/30/1170187430.db2.gz	BFDQTFVTELXUSH-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@@H+]1[C@H](C)CCC1(C)C	1307834110	1170187440	/nfs/dbraw/zinc/18/74/40/1170187440.db2.gz	HPMBSGJEAVUPEX-LLVKDONJSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[N@@H+](CC)CC(=C)CC	1308134899	1170187532	/nfs/dbraw/zinc/18/75/32/1170187532.db2.gz	UGJKUULLBRBUFA-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CCCCC[N@@H+](CC)[C@H](C)CC	1307923704	1170187612	/nfs/dbraw/zinc/18/76/12/1170187612.db2.gz	LZPYCBYSEHWTJY-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC(C)(C)C[C@H]1C	1307845711	1170187667	/nfs/dbraw/zinc/18/76/67/1170187667.db2.gz	QJZJGEDCVGCWQC-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@@H]1CCCC[C@@H]1C	1308546037	1170188166	/nfs/dbraw/zinc/18/81/66/1170188166.db2.gz	KSEVZBMWHQTTQH-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@H]1CCCC[C@H]1C	1308546038	1170188223	/nfs/dbraw/zinc/18/82/23/1170188223.db2.gz	KSEVZBMWHQTTQH-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1CC(CC)CC	1308140897	1170188498	/nfs/dbraw/zinc/18/84/98/1170188498.db2.gz	MUYDJZNMMWNBDM-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[NH2+]C1(CCCC)CC1	1308144092	1170188734	/nfs/dbraw/zinc/18/87/34/1170188734.db2.gz	SLNLFFKPJAKUPI-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CCCCCC[N@@H+]1CC[C@@H]1CC=C	1308141517	1170188751	/nfs/dbraw/zinc/18/87/51/1170188751.db2.gz	PSENUUICAALOTH-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@H]1CCCC[C@@H]1C	1308546036	1170188886	/nfs/dbraw/zinc/18/88/86/1170188886.db2.gz	KSEVZBMWHQTTQH-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1CCC(C)(C)C	1308142731	1170189489	/nfs/dbraw/zinc/18/94/89/1170189489.db2.gz	VYCKKSRMXKQXMN-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCCC[N@@H+]1CC[C@H]1CC=C	1308141515	1170189576	/nfs/dbraw/zinc/18/95/76/1170189576.db2.gz	PSENUUICAALOTH-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1CC(CC)CC	1308140898	1170189784	/nfs/dbraw/zinc/18/97/84/1170189784.db2.gz	MUYDJZNMMWNBDM-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1CCC(C)(C)C	1308142730	1170189871	/nfs/dbraw/zinc/18/98/71/1170189871.db2.gz	VYCKKSRMXKQXMN-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1CCCCF	1308138042	1170189945	/nfs/dbraw/zinc/18/99/45/1170189945.db2.gz	ULQSHJVVITZNSP-GFCCVEGCSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1CCCCF	1308138044	1170189978	/nfs/dbraw/zinc/18/99/78/1170189978.db2.gz	ULQSHJVVITZNSP-LBPRGKRZSA-N	1	0	199.313	3.167	10	30		AGEERO
C#C[C@@H]1CCCC[N@H+]1CCCCCC	1308141776	1170190013	/nfs/dbraw/zinc/19/00/13/1170190013.db2.gz	NOPDNKSXVDTSSF-CYBMUJFWSA-N	1	0	193.334	3.054	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@@H]1CCCC[C@H]1C	1308546033	1170190022	/nfs/dbraw/zinc/19/00/22/1170190022.db2.gz	KSEVZBMWHQTTQH-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C#C[C@H]1CCCC[N@H+]1CCCCCC	1308141777	1170190941	/nfs/dbraw/zinc/19/09/41/1170190941.db2.gz	NOPDNKSXVDTSSF-ZDUSSCGKSA-N	1	0	193.334	3.054	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]C[C@H]1C=CCC1	1308920164	1170193659	/nfs/dbraw/zinc/19/36/59/1170193659.db2.gz	WIZICMSRZMXQSJ-STQMWFEESA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]C[C@H]1C=CCC1	1308920163	1170193409	/nfs/dbraw/zinc/19/34/09/1170193409.db2.gz	WIZICMSRZMXQSJ-QWHCGFSZSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]C[C@@H]1C=CCC1	1308920161	1170193607	/nfs/dbraw/zinc/19/36/07/1170193607.db2.gz	WIZICMSRZMXQSJ-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]C[C@@H]1C=CCC1	1308920162	1170193564	/nfs/dbraw/zinc/19/35/64/1170193564.db2.gz	WIZICMSRZMXQSJ-OLZOCXBDSA-N	1	0	193.334	3.287	10	30		AGEERO
C=C(C)CC[NH+]1CCC(CCC)CC1	1325861654	1170234410	/nfs/dbraw/zinc/23/44/10/1170234410.db2.gz	QNSYGQCJFCZFHM-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)C[N@H+]1CCC[C@]1(C)CC(C)C	1460135862	1170575419	/nfs/dbraw/zinc/57/54/19/1170575419.db2.gz	OHMRADTYUCHPDO-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1CCC(C)(C)C	1460038809	1170575202	/nfs/dbraw/zinc/57/52/02/1170575202.db2.gz	AXELZIRXOBVBPJ-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@H+]1CCC[C@@]1(C)CC(C)C	1460135865	1170575481	/nfs/dbraw/zinc/57/54/81/1170575481.db2.gz	OHMRADTYUCHPDO-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)C1	1459807839	1170575797	/nfs/dbraw/zinc/57/57/97/1170575797.db2.gz	OTEGCBOSOQKJMG-NWDGAFQWSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[N@@H+](C)CCC[C@H](C)CCC	1459992818	1170575944	/nfs/dbraw/zinc/57/59/44/1170575944.db2.gz	UPXSJFMTNNNZQY-GFCCVEGCSA-N	1	0	183.339	3.321	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1CC1CC(C)C1	1460045085	1170575959	/nfs/dbraw/zinc/57/59/59/1170575959.db2.gz	ZQOUCYNXEBIFNC-BPCQOVAHSA-N	1	0	193.334	3.073	10	30		AGEERO
C=CC[N@@H+](C)CCC[C@@H](C)CCC	1459992820	1170576100	/nfs/dbraw/zinc/57/61/00/1170576100.db2.gz	UPXSJFMTNNNZQY-LBPRGKRZSA-N	1	0	183.339	3.321	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1CC1CC(C)C1	1460045088	1170576124	/nfs/dbraw/zinc/57/61/24/1170576124.db2.gz	ZQOUCYNXEBIFNC-WXRRBKDZSA-N	1	0	193.334	3.073	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCCC(C)(C)C1	1459948990	1170576140	/nfs/dbraw/zinc/57/61/40/1170576140.db2.gz	GJTZTJSKDMCMCQ-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC[C@H](C(C)(C)C)C1	1459807838	1170576203	/nfs/dbraw/zinc/57/62/03/1170576203.db2.gz	OTEGCBOSOQKJMG-NEPJUHHUSA-N	1	0	195.350	3.319	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1CCC(C)(C)C	1460038811	1170576229	/nfs/dbraw/zinc/57/62/29/1170576229.db2.gz	AXELZIRXOBVBPJ-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCCC(C)(C)C1	1459948991	1170576369	/nfs/dbraw/zinc/57/63/69/1170576369.db2.gz	GJTZTJSKDMCMCQ-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC[C@@H](C(C)(C)C)C1	1459807841	1170576845	/nfs/dbraw/zinc/57/68/45/1170576845.db2.gz	OTEGCBOSOQKJMG-VXGBXAGGSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC[C@H](C(C)(C)C)C1	1459807840	1170577629	/nfs/dbraw/zinc/57/76/29/1170577629.db2.gz	OTEGCBOSOQKJMG-RYUDHWBXSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[N@@H+](CC)CCCC1CC1	1460899856	1170578124	/nfs/dbraw/zinc/57/81/24/1170578124.db2.gz	KXNSCCZGSKSJFC-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(CC)C[N@H+](C)CCC(C)(C)C	1460298920	1170578159	/nfs/dbraw/zinc/57/81/59/1170578159.db2.gz	WKHNOGIAJSOMHC-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](CCC(C)C)C1	1460357243	1170578355	/nfs/dbraw/zinc/57/83/55/1170578355.db2.gz	AVFNUZYQKBITAD-CYBMUJFWSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1[C@@H](C)CC(C)C	1460913007	1170578242	/nfs/dbraw/zinc/57/82/42/1170578242.db2.gz	ZIZZGXVBHQSDQQ-NWDGAFQWSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CCCCC[N@H+]1CCC=C(Cl)C1	1460381947	1170578639	/nfs/dbraw/zinc/57/86/39/1170578639.db2.gz	JQAYBSQPEZMBDY-UHFFFAOYSA-N	1	0	199.725	3.171	10	30		AGEERO
C=CCC[N@H+]1CC[C@H](CC(C)(C)C)C1	1460258815	1170578681	/nfs/dbraw/zinc/57/86/81/1170578681.db2.gz	YSCINQCQQBNFCC-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](CCC(C)C)C1	1460357244	1170578842	/nfs/dbraw/zinc/57/88/42/1170578842.db2.gz	AVFNUZYQKBITAD-ZDUSSCGKSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CCCCC)C1	1460522250	1170579163	/nfs/dbraw/zinc/57/91/63/1170579163.db2.gz	MSEVNWPKRJVHSQ-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CCCCC)C1	1460522252	1170579283	/nfs/dbraw/zinc/57/92/83/1170579283.db2.gz	MSEVNWPKRJVHSQ-LBPRGKRZSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1[C@H](C)[C@H](C)CC	1460913054	1170579322	/nfs/dbraw/zinc/57/93/22/1170579322.db2.gz	ZQRWFXVXNCDCNN-IJLUTSLNSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1[C@@H](C)[C@H](C)CC	1460913052	1170579419	/nfs/dbraw/zinc/57/94/19/1170579419.db2.gz	ZQRWFXVXNCDCNN-GRYCIOLGSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CCCCC[N@@H+](CCC)C(C)C	1460311069	1170579433	/nfs/dbraw/zinc/57/94/33/1170579433.db2.gz	YCYNBFMIROQFRL-UHFFFAOYSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1[C@@H](C)CC(C)C	1460913010	1170579692	/nfs/dbraw/zinc/57/96/92/1170579692.db2.gz	ZIZZGXVBHQSDQQ-RYUDHWBXSA-N	1	0	181.323	3.071	10	30		AGEERO
C#CCC1([NH2+]CCCC)CCCCC1	1460835650	1170579793	/nfs/dbraw/zinc/57/97/93/1170579793.db2.gz	QHLRXMUOABOUTD-UHFFFAOYSA-N	1	0	193.334	3.102	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@@H]1C=CCCC1	1460900024	1170579747	/nfs/dbraw/zinc/57/97/47/1170579747.db2.gz	MQSHZSOJKVEKMY-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1[C@H](C)CC(C)C	1460913005	1170579910	/nfs/dbraw/zinc/57/99/10/1170579910.db2.gz	ZIZZGXVBHQSDQQ-NEPJUHHUSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CCC[N@H+]1CCCC1(CC)CC	1460728324	1170579959	/nfs/dbraw/zinc/57/99/59/1170579959.db2.gz	XKOMSLLUZYEDDX-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1[C@H](C)CC(C)C	1460913011	1170580230	/nfs/dbraw/zinc/58/02/30/1170580230.db2.gz	ZIZZGXVBHQSDQQ-VXGBXAGGSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CCC[N@H+]1CC[C@@H](CC(C)(C)C)C1	1460258816	1170580760	/nfs/dbraw/zinc/58/07/60/1170580760.db2.gz	YSCINQCQQBNFCC-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@H]1C=CCCC1	1460900026	1170580807	/nfs/dbraw/zinc/58/08/07/1170580807.db2.gz	MQSHZSOJKVEKMY-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=C1CC[NH+](CC2(C(C)C)CC2)CC1	1461896551	1170581173	/nfs/dbraw/zinc/58/11/73/1170581173.db2.gz	DIQHPPVSOTYLOH-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1[C@@H](C)[C@@H](C)CC	1460913058	1170581593	/nfs/dbraw/zinc/58/15/93/1170581593.db2.gz	ZQRWFXVXNCDCNN-SDDRHHMPSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1[C@H](C)[C@@H](C)CC	1460913055	1170581618	/nfs/dbraw/zinc/58/16/18/1170581618.db2.gz	ZQRWFXVXNCDCNN-QJPTWQEYSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C(C)CC[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21	1462258122	1170583520	/nfs/dbraw/zinc/58/35/20/1170583520.db2.gz	WQMMSVOZDANYSE-AVGNSLFASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC(C)(C)[NH2+]CC(C(C)C)C(C)C	1462644790	1170585017	/nfs/dbraw/zinc/58/50/17/1170585017.db2.gz	PZVWTFAWVMPDCS-UHFFFAOYSA-N	1	0	197.366	3.469	10	30		AGEERO
C#CCCCCCC[N@@H+](C)CC(=C)C	1473658965	1170594498	/nfs/dbraw/zinc/59/44/98/1170594498.db2.gz	JOWNUPTVZKPPCZ-UHFFFAOYSA-N	1	0	193.334	3.078	10	30		AGEERO
C=C(C)C[N@@H+]1CC[C@H](CC(C)(C)C)C1	1473557558	1170594801	/nfs/dbraw/zinc/59/48/01/1170594801.db2.gz	YPDAGXSJSZDEEK-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(C)C[N@H+](C)CC1CC2(CCC2)C1	1473658954	1170595479	/nfs/dbraw/zinc/59/54/79/1170595479.db2.gz	IZIYXGZLEWIBOZ-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CC(CC)CC)C1	1473673345	1170595489	/nfs/dbraw/zinc/59/54/89/1170595489.db2.gz	IPTOMAPBJSUHJP-CYBMUJFWSA-N	1	0	195.350	3.321	10	30		AGEERO
C#CCCCCCC[NH2+]C/C=C/CC	1474542030	1170600848	/nfs/dbraw/zinc/60/08/48/1170600848.db2.gz	PQAUCWSJPHRKMQ-UXBLZVDNSA-N	1	0	193.334	3.126	10	30		AGEERO
C=C(C)C[N@@H+]1CC[C@@H](CC(C)(C)C)C1	1473557559	1170596124	/nfs/dbraw/zinc/59/61/24/1170596124.db2.gz	YPDAGXSJSZDEEK-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C#CCC[N@@H+](C)CCCC(CC)CC	1473680186	1170596236	/nfs/dbraw/zinc/59/62/36/1170596236.db2.gz	MWUGUCLAIPWKGM-UHFFFAOYSA-N	1	0	195.350	3.158	10	30		AGEERO
C=CC[N@@H+](C[C@@H]1C[C@H]1CC)C(C)(C)C	1473651572	1170596719	/nfs/dbraw/zinc/59/67/19/1170596719.db2.gz	YGXOYZKRSCRVRP-NEPJUHHUSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CC(CC)CC)C1	1473673346	1170596774	/nfs/dbraw/zinc/59/67/74/1170596774.db2.gz	IPTOMAPBJSUHJP-ZDUSSCGKSA-N	1	0	195.350	3.321	10	30		AGEERO
CC#CC[N@@H+](C)CCCCCCCC	1473512017	1170596888	/nfs/dbraw/zinc/59/68/88/1170596888.db2.gz	QRMPQADXZIFDNY-UHFFFAOYSA-N	1	0	195.350	3.302	10	30		AGEERO
C=CC[N@H+](CC1(C(C)C)CC1)C(C)C	1474334515	1170597602	/nfs/dbraw/zinc/59/76/02/1170597602.db2.gz	RJYIPVPEBGONDV-UHFFFAOYSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[N@@H+](CC)C[C@@H]1C[C@H]1CC	1473861677	1170598357	/nfs/dbraw/zinc/59/83/57/1170598357.db2.gz	HKASJEFLBCCNSI-OLZOCXBDSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1C[C@H](C)CC	1473857329	1170598594	/nfs/dbraw/zinc/59/85/94/1170598594.db2.gz	NEGFYRLXPLMNIX-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC(C)(C)CCC[NH2+]CC(C)C	1474255925	1170598681	/nfs/dbraw/zinc/59/86/81/1170598681.db2.gz	CRFBLCDSYXIZFH-UHFFFAOYSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1C[C@@H](C)CC	1473857332	1170598795	/nfs/dbraw/zinc/59/87/95/1170598795.db2.gz	NEGFYRLXPLMNIX-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[NH2+][C@@H]1CC=CC[C@H]1C	1473873726	1170598961	/nfs/dbraw/zinc/59/89/61/1170598961.db2.gz	BRAVERIATYVYSE-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCCC[N@@H+](CC)CCC(=C)C	1473862404	1170599105	/nfs/dbraw/zinc/59/91/05/1170599105.db2.gz	ZICBQXNVQOJPKE-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1C[C@@H](C)CC	1473857331	1170599220	/nfs/dbraw/zinc/59/92/20/1170599220.db2.gz	NEGFYRLXPLMNIX-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C#CC[N@@H+](CCCCCCC)C(C)C	1473816922	1170599374	/nfs/dbraw/zinc/59/93/74/1170599374.db2.gz	NQBAGRWMZPGSNU-UHFFFAOYSA-N	1	0	195.350	3.300	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1C[C@H](C)CC	1473857330	1170599998	/nfs/dbraw/zinc/59/99/98/1170599998.db2.gz	NEGFYRLXPLMNIX-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C/C=C/CC[NH2+][C@H](CC)CCC=C	1474688815	1170600934	/nfs/dbraw/zinc/60/09/34/1170600934.db2.gz	AGBLFWBASWHXJO-BUUCAEBMSA-N	1	0	193.334	3.453	10	30		AGEERO
C=C/C=C\CC[NH2+][C@H](CC)CCC=C	1474688816	1170601595	/nfs/dbraw/zinc/60/15/95/1170601595.db2.gz	AGBLFWBASWHXJO-FNOHHLHBSA-N	1	0	193.334	3.453	10	30		AGEERO
C=C/C=C/CC[NH2+][C@@H](CC)CCC=C	1474688818	1170601859	/nfs/dbraw/zinc/60/18/59/1170601859.db2.gz	AGBLFWBASWHXJO-XOVSCCBYSA-N	1	0	193.334	3.453	10	30		AGEERO
C#CCCCCCC[NH2+]C/C=C\CC	1474542029	1170602035	/nfs/dbraw/zinc/60/20/35/1170602035.db2.gz	PQAUCWSJPHRKMQ-POHAHGRESA-N	1	0	193.334	3.126	10	30		AGEERO
C=C/C=C\CC[NH2+][C@@H](CC)CCC=C	1474688817	1170602451	/nfs/dbraw/zinc/60/24/51/1170602451.db2.gz	AGBLFWBASWHXJO-JWJUJFCLSA-N	1	0	193.334	3.453	10	30		AGEERO
C=C(C)C[N@@H+](C)CC(C(C)C)C(C)C	1474636389	1170602439	/nfs/dbraw/zinc/60/24/39/1170602439.db2.gz	NUDONZDUQOFJGH-UHFFFAOYSA-N	1	0	197.366	3.423	10	30		AGEERO
C=C(C)C[NH+]1CC(C)(C)CC(C)(C)C1	1559725572	1170656599	/nfs/dbraw/zinc/65/65/99/1170656599.db2.gz	ASXAYSWEPWSULT-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC(C)(C)C1(C)C	1559581326	1170657245	/nfs/dbraw/zinc/65/72/45/1170657245.db2.gz	FKBXTCBXCBJJGQ-JTQLQIEISA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC(C)(C)C1(C)C	1559581327	1170657855	/nfs/dbraw/zinc/65/78/55/1170657855.db2.gz	FKBXTCBXCBJJGQ-SNVBAGLBSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+]([C@@H](C)CC=C)C1	1559983519	1170658323	/nfs/dbraw/zinc/65/83/23/1170658323.db2.gz	SXBMZKDBHUWLOZ-QWHCGFSZSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC[C@H](C2CCC2)C1	1559910656	1170658479	/nfs/dbraw/zinc/65/84/79/1170658479.db2.gz	ZKFOXMXNRRKYAH-AAEUAGOBSA-N	1	0	193.334	3.073	10	30		AGEERO
C=CCCC[N@@H+]1CCC[C@@H]1CCC=C	1560200211	1170658694	/nfs/dbraw/zinc/65/86/94/1170658694.db2.gz	PVPMVIJENOEOFO-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CCCCC[N@H+]1C[C@H](C)CC1(C)C	1560106972	1170658820	/nfs/dbraw/zinc/65/88/20/1170658820.db2.gz	HNYDYLAYSVROKF-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](C[C@@H](C)CC)C1	1559982953	1170658953	/nfs/dbraw/zinc/65/89/53/1170658953.db2.gz	AWDHZAQTCLXQIH-QWHCGFSZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCC[N@@H+]1CCC[C@H]1CCC=C	1560200210	1170658964	/nfs/dbraw/zinc/65/89/64/1170658964.db2.gz	PVPMVIJENOEOFO-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C#CC[N@@H+](CC/C=C\CC)C(C)(C)C	1560156743	1170659038	/nfs/dbraw/zinc/65/90/38/1170659038.db2.gz	XEWHAJKRPIBWFT-HJWRWDBZSA-N	1	0	193.334	3.076	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+]([C@H](C)CC=C)C1	1559983518	1170659222	/nfs/dbraw/zinc/65/92/22/1170659222.db2.gz	SXBMZKDBHUWLOZ-OLZOCXBDSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC[C@@H](C2CCC2)C1	1559910657	1170659284	/nfs/dbraw/zinc/65/92/84/1170659284.db2.gz	ZKFOXMXNRRKYAH-DGCLKSJQSA-N	1	0	193.334	3.073	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](C[C@@H](C)CC)C1	1559982954	1170659430	/nfs/dbraw/zinc/65/94/30/1170659430.db2.gz	AWDHZAQTCLXQIH-STQMWFEESA-N	1	0	195.350	3.321	10	30		AGEERO
C#CC[N@@H+](CC/C=C/CC)C(C)(C)C	1560156742	1170659688	/nfs/dbraw/zinc/65/96/88/1170659688.db2.gz	XEWHAJKRPIBWFT-CMDGGOBGSA-N	1	0	193.334	3.076	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC[C@H](C2CCC2)C1	1559910659	1170659773	/nfs/dbraw/zinc/65/97/73/1170659773.db2.gz	ZKFOXMXNRRKYAH-YPMHNXCESA-N	1	0	193.334	3.073	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@H](CC=C)C1	1559983520	1170659780	/nfs/dbraw/zinc/65/97/80/1170659780.db2.gz	SXBMZKDBHUWLOZ-STQMWFEESA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+]([C@H](C)CC=C)C1	1559983517	1170659791	/nfs/dbraw/zinc/65/97/91/1170659791.db2.gz	SXBMZKDBHUWLOZ-CHWSQXEVSA-N	1	0	193.334	3.239	10	30		AGEERO
C=C(CC)C[N@@H+]1CC(C)(C)C[C@H]1C	1559913194	1170659972	/nfs/dbraw/zinc/65/99/72/1170659972.db2.gz	JERYKSZZYHGQMU-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](C[C@H](C)CC)C1	1559982952	1170660207	/nfs/dbraw/zinc/66/02/07/1170660207.db2.gz	AWDHZAQTCLXQIH-OLZOCXBDSA-N	1	0	195.350	3.321	10	30		AGEERO
C#CC[N@@H+](CCCCCC)C(C)(C)C	1560156185	1170660268	/nfs/dbraw/zinc/66/02/68/1170660268.db2.gz	GPOZPRLLPWVOGK-UHFFFAOYSA-N	1	0	195.350	3.300	10	30		AGEERO
C=C(CC)C[N@H+]1CCC[C@H]1CCC	1560201666	1170660279	/nfs/dbraw/zinc/66/02/79/1170660279.db2.gz	UBNHQUNCSQYXIP-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(CC)C[N@@H+]1CC(C)(C)C[C@@H]1C	1559913195	1170660282	/nfs/dbraw/zinc/66/02/82/1170660282.db2.gz	JERYKSZZYHGQMU-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C#CC[N@@H+](CCCC(C)C)C(C)(C)C	1560156738	1170660298	/nfs/dbraw/zinc/66/02/98/1170660298.db2.gz	XCZCJYRHKAUYSQ-UHFFFAOYSA-N	1	0	195.350	3.156	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](C[C@H](C)CC)C1	1559982951	1170660361	/nfs/dbraw/zinc/66/03/61/1170660361.db2.gz	AWDHZAQTCLXQIH-CHWSQXEVSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCC[N@H+]1C[C@@H](C)CC1(C)C	1560106973	1170660434	/nfs/dbraw/zinc/66/04/34/1170660434.db2.gz	HNYDYLAYSVROKF-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@H+]1CCC[C@@H]1CCC	1560201667	1170660462	/nfs/dbraw/zinc/66/04/62/1170660462.db2.gz	UBNHQUNCSQYXIP-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC[C@@H](C2CCC2)C1	1559910658	1170660620	/nfs/dbraw/zinc/66/06/20/1170660620.db2.gz	ZKFOXMXNRRKYAH-WCQYABFASA-N	1	0	193.334	3.073	10	30		AGEERO
C=C(C)C[N@@H+]1CC=CC12CCCCC2	1560236830	1170661665	/nfs/dbraw/zinc/66/16/65/1170661665.db2.gz	ZDNCPTLKYCAQEP-UHFFFAOYSA-N	1	0	191.318	3.137	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1CC1CC(C)(C)C1	1560208022	1170661851	/nfs/dbraw/zinc/66/18/51/1170661851.db2.gz	VBLYIJCULJWOCQ-LBPRGKRZSA-N	1	0	193.334	3.073	10	30		AGEERO
C=C(C)C[NH2+]C1(C2CCCCC2)CC1	1560211601	1170662624	/nfs/dbraw/zinc/66/26/24/1170662624.db2.gz	NVXXJXJGBFAXHN-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@H]1C	1560997243	1170667279	/nfs/dbraw/zinc/66/72/79/1170667279.db2.gz	OSQSEXBACFCEPI-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[N@@H+](CC)CCC(C)C	1560204703	1170663035	/nfs/dbraw/zinc/66/30/35/1170663035.db2.gz	WDAGWQWBPUQFOK-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1CC1CC(C)(C)C1	1560208021	1170663113	/nfs/dbraw/zinc/66/31/13/1170663113.db2.gz	VBLYIJCULJWOCQ-GFCCVEGCSA-N	1	0	193.334	3.073	10	30		AGEERO
C=CCCC[N@@H+](CC)CC=C(C)C	1560204210	1170663134	/nfs/dbraw/zinc/66/31/34/1170663134.db2.gz	BPTQODDGPYUJSE-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CCCC[N@@H+](CC)CC1(C)CCC1	1560204246	1170663213	/nfs/dbraw/zinc/66/32/13/1170663213.db2.gz	DEPZBYGWAYFCEI-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(CC)C[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21	1560885430	1170664778	/nfs/dbraw/zinc/66/47/78/1170664778.db2.gz	DNCLGJXCXQHXJJ-AVGNSLFASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[N@@H+](CCCCC(C)C)C1CC1	1560741925	1170665297	/nfs/dbraw/zinc/66/52/97/1170665297.db2.gz	NHTIAJWZAJZYOD-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC(C)(C)CCC[NH2+][C@@H]1CC[C@@H]1C	1560997241	1170666278	/nfs/dbraw/zinc/66/62/78/1170666278.db2.gz	OSQSEXBACFCEPI-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1C(C)C	1561056606	1170667362	/nfs/dbraw/zinc/66/73/62/1170667362.db2.gz	AIIHINUXRCXPJP-FRRDWIJNSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H]1C(C)C	1561056608	1170667576	/nfs/dbraw/zinc/66/75/76/1170667576.db2.gz	AIIHINUXRCXPJP-RWMBFGLXSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC(C)(C)CCC[NH2+][C@H]1CC[C@H]1C	1560997240	1170667732	/nfs/dbraw/zinc/66/77/32/1170667732.db2.gz	OSQSEXBACFCEPI-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CCC[NH2+][C@H]1CC[C@@H]1C	1560997242	1170668235	/nfs/dbraw/zinc/66/82/35/1170668235.db2.gz	OSQSEXBACFCEPI-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@](C)(CC)C1	1616348859	1170806731	/nfs/dbraw/zinc/80/67/31/1170806731.db2.gz	YMUSYMOGFVIPSH-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(CC)C[NH+]1CCC(C(C)C)CC1	1615514773	1170808368	/nfs/dbraw/zinc/80/83/68/1170808368.db2.gz	MQYNTPOFCILDMH-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@](C)(CC)C1	1616348855	1170808407	/nfs/dbraw/zinc/80/84/07/1170808407.db2.gz	YMUSYMOGFVIPSH-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C#CC[N@@H+](CC)C[C@@H](C)CC(C)(C)C	1615780206	1170808772	/nfs/dbraw/zinc/80/87/72/1170808772.db2.gz	UMRWATKYLCLGLS-LBPRGKRZSA-N	1	0	195.350	3.014	10	30		AGEERO
C#CC[N@@H+](CC)C[C@H](C)CC(C)(C)C	1615780204	1170809324	/nfs/dbraw/zinc/80/93/24/1170809324.db2.gz	UMRWATKYLCLGLS-GFCCVEGCSA-N	1	0	195.350	3.014	10	30		AGEERO
C=CC1CC[NH+](CCCC2CC2)CC1	1615520032	1170809406	/nfs/dbraw/zinc/80/94/06/1170809406.db2.gz	PQNXZVUEKQGFFR-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1CCC=C(C)C	1617621218	1170810479	/nfs/dbraw/zinc/81/04/79/1170810479.db2.gz	RJBYNGOETBJXNH-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1CC(CC)CC	1617620976	1170810498	/nfs/dbraw/zinc/81/04/98/1170810498.db2.gz	MVBKHCCKQGNISK-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1CC	1617619883	1170811041	/nfs/dbraw/zinc/81/10/41/1170811041.db2.gz	BIZNLUMWKPNBEK-AGIUHOORSA-N	1	0	193.334	3.073	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1C[C@@H]1C[C@H]1CC	1617619884	1170812829	/nfs/dbraw/zinc/81/28/29/1170812829.db2.gz	BIZNLUMWKPNBEK-FRRDWIJNSA-N	1	0	193.334	3.073	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1CCC=C(C)C	1617621217	1170814417	/nfs/dbraw/zinc/81/44/17/1170814417.db2.gz	RJBYNGOETBJXNH-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1CC(CC)CC	1617620977	1170814599	/nfs/dbraw/zinc/81/45/99/1170814599.db2.gz	MVBKHCCKQGNISK-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[N@@H+](CC1CC(C)C1)C(C)(C)C	1620428717	1170814916	/nfs/dbraw/zinc/81/49/16/1170814916.db2.gz	SISOSMPKBKVEPJ-UHFFFAOYSA-N	1	0	195.350	3.319	10	30		AGEERO
CCCCCCC[N@@H+]1CC2CC1(C)C2	1620444299	1170815478	/nfs/dbraw/zinc/81/54/78/1170815478.db2.gz	ZETCFOJZWGWTGG-UHFFFAOYSA-N	1	0	195.350	3.441	10	30		AGEERO
C=CC[N@H+](CC1(C)CCC1)C(C)(C)C	1620428752	1170815696	/nfs/dbraw/zinc/81/56/96/1170815696.db2.gz	UJXGZWXNGNYUEB-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](CCCC)C1	1620214355	1170815952	/nfs/dbraw/zinc/81/59/52/1170815952.db2.gz	IQWJKHDMZUHLOH-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C#CC[N@@H+](CCC(C)(C)CC)C(C)C	1620603891	1170816521	/nfs/dbraw/zinc/81/65/21/1170816521.db2.gz	VCZUSFKPVNFXFG-UHFFFAOYSA-N	1	0	195.350	3.156	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](CCCC)C1	1620214356	1170817212	/nfs/dbraw/zinc/81/72/12/1170817212.db2.gz	IQWJKHDMZUHLOH-LBPRGKRZSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CCCCCC)C1	1620451870	1170817678	/nfs/dbraw/zinc/81/76/78/1170817678.db2.gz	PLKVFTSNRBZFAZ-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CCCCCC)C1	1620451869	1170817899	/nfs/dbraw/zinc/81/78/99/1170817899.db2.gz	PLKVFTSNRBZFAZ-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](CCCCC)C1	1620214030	1170818296	/nfs/dbraw/zinc/81/82/96/1170818296.db2.gz	DVQKSDKXBVQAAL-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCCC[N@@H+](C)C1CC(C)(C)C1	1618422103	1170818370	/nfs/dbraw/zinc/81/83/70/1170818370.db2.gz	HNJVMNXKTAAHIV-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](CCCCC)C1	1620214034	1170818668	/nfs/dbraw/zinc/81/86/68/1170818668.db2.gz	DVQKSDKXBVQAAL-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1CC=C(C)C	1620642187	1170822971	/nfs/dbraw/zinc/82/29/71/1170822971.db2.gz	KTUPZDAGYSALJU-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C#CC[N@@H+](CCCCC=C)C(C)(C)C	1620595051	1170819838	/nfs/dbraw/zinc/81/98/38/1170819838.db2.gz	KVRNNAHIHMWUSF-UHFFFAOYSA-N	1	0	193.334	3.076	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1CC=C(C)C	1620642188	1170820789	/nfs/dbraw/zinc/82/07/89/1170820789.db2.gz	KTUPZDAGYSALJU-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1CCCCCC	1620649037	1170821025	/nfs/dbraw/zinc/82/10/25/1170821025.db2.gz	KFPCLPDQQCGABU-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCC[N@@H+]1CC=CC12CCCCC2	1620681754	1170822353	/nfs/dbraw/zinc/82/23/53/1170822353.db2.gz	UNLXGZDNUYNIQM-UHFFFAOYSA-N	1	0	191.318	3.137	10	30		AGEERO
C=CC(C)(C)CCC[NH2+]CC1(C)CC1	1621056528	1170822466	/nfs/dbraw/zinc/82/24/66/1170822466.db2.gz	ZWKFBIIJAZVANP-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@H]1CCC[N@@H+]1CC1CCC1	1620640802	1170823595	/nfs/dbraw/zinc/82/35/95/1170823595.db2.gz	BZNHQDPFORLEBK-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1CCCCCC	1620649038	1170823719	/nfs/dbraw/zinc/82/37/19/1170823719.db2.gz	KFPCLPDQQCGABU-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1CCCC(C)(C)C	1620649352	1170824711	/nfs/dbraw/zinc/82/47/11/1170824711.db2.gz	RPCCPAWKYAMESM-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[C@@H]1CCC[N@@H+]1CC1CCC1	1620640800	1170824948	/nfs/dbraw/zinc/82/49/48/1170824948.db2.gz	BZNHQDPFORLEBK-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1CCCC(C)(C)C	1620649353	1170825073	/nfs/dbraw/zinc/82/50/73/1170825073.db2.gz	RPCCPAWKYAMESM-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@H](C)CC(C)C	1621558603	1170825954	/nfs/dbraw/zinc/82/59/54/1170825954.db2.gz	SJMUGGZJBJGSBQ-LLVKDONJSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]CC1CC(C)C1	1621453479	1170827767	/nfs/dbraw/zinc/82/77/67/1170827767.db2.gz	BDHSKPBOVFMSEF-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]CC1CC(C)C1	1621453478	1170827826	/nfs/dbraw/zinc/82/78/26/1170827826.db2.gz	BDHSKPBOVFMSEF-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@@H](C)CC(C)C	1621558604	1170828882	/nfs/dbraw/zinc/82/88/82/1170828882.db2.gz	SJMUGGZJBJGSBQ-NSHDSACASA-N	1	0	183.339	3.223	10	30		AGEERO
C#CCCCCCC[NH2+]CC(=C)CC	1621391809	1170829044	/nfs/dbraw/zinc/82/90/44/1170829044.db2.gz	GGDYVUGWGBZVRA-UHFFFAOYSA-N	1	0	193.334	3.126	10	30		AGEERO
C=CC[C@@H](C)[NH+](CCC)CCC	1641515042	1170857152	/nfs/dbraw/zinc/85/71/52/1170857152.db2.gz	CFCRFCLWNMVTKI-LLVKDONJSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[C@H](C)[NH+](CCC)CCC	1641515043	1170857942	/nfs/dbraw/zinc/85/79/42/1170857942.db2.gz	CFCRFCLWNMVTKI-NSHDSACASA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[C@H](C)[N@H+](C)C[C@H]1CC=CCC1	1642382510	1170860448	/nfs/dbraw/zinc/86/04/48/1170860448.db2.gz	WGTANMHQWKYFBE-STQMWFEESA-N	1	0	193.334	3.239	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@H](C)CC(C)(C)C1	1642388773	1170860805	/nfs/dbraw/zinc/86/08/05/1170860805.db2.gz	QUXIIMYEWGGVPN-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC2(CCCC2)C1	1641865532	1170860853	/nfs/dbraw/zinc/86/08/53/1170860853.db2.gz	HCSQYKUYXXIHIT-LBPRGKRZSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CC[C@H](C)[N@@H+](CC)C[C@@H](C)CC	1641938976	1170860870	/nfs/dbraw/zinc/86/08/70/1170860870.db2.gz	XXMQAESHQIOHCJ-RYUDHWBXSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(CC)C[N@@H+]1CCCC[C@@H]1C(C)C	1641781678	1170860996	/nfs/dbraw/zinc/86/09/96/1170860996.db2.gz	MJGKAZSEGWPSMN-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+](CC)C[C@@H](C)CC	1641938975	1170861039	/nfs/dbraw/zinc/86/10/39/1170861039.db2.gz	XXMQAESHQIOHCJ-NWDGAFQWSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@@H](CCC)C1	1642188309	1170861162	/nfs/dbraw/zinc/86/11/62/1170861162.db2.gz	DSULSKWXVBLIOJ-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+](CC)C[C@H](C)CC	1641938977	1170861866	/nfs/dbraw/zinc/86/18/66/1170861866.db2.gz	XXMQAESHQIOHCJ-VXGBXAGGSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[C@@H](C)[N@H+](C)C[C@H]1CC=CCC1	1642382508	1170862397	/nfs/dbraw/zinc/86/23/97/1170862397.db2.gz	WGTANMHQWKYFBE-OLZOCXBDSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[C@H](C)[N@H+](C)C[C@@H]1CC=CCC1	1642382509	1170862689	/nfs/dbraw/zinc/86/26/89/1170862689.db2.gz	WGTANMHQWKYFBE-QWHCGFSZSA-N	1	0	193.334	3.239	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@@H](C)CC(C)(C)C1	1642388774	1170862872	/nfs/dbraw/zinc/86/28/72/1170862872.db2.gz	QUXIIMYEWGGVPN-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(CC)C[N@@H+]1CCCC[C@H]1C(C)C	1641781679	1170863263	/nfs/dbraw/zinc/86/32/63/1170863263.db2.gz	MJGKAZSEGWPSMN-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@H+](C)C[C@@H]1CC=CCC1	1642382507	1170863285	/nfs/dbraw/zinc/86/32/85/1170863285.db2.gz	WGTANMHQWKYFBE-CHWSQXEVSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[C@H](C)[N@@H+](CC)C[C@H](C)CC	1641938974	1170863913	/nfs/dbraw/zinc/86/39/13/1170863913.db2.gz	XXMQAESHQIOHCJ-NEPJUHHUSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CCC)C1	1642188307	1170864135	/nfs/dbraw/zinc/86/41/35/1170864135.db2.gz	DSULSKWXVBLIOJ-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@@H+]1CCCC(C)(C)CC1	1641905230	1170864342	/nfs/dbraw/zinc/86/43/42/1170864342.db2.gz	GFQFAIYUMDIGCN-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@H](CCC)C1	1642188310	1170864439	/nfs/dbraw/zinc/86/44/39/1170864439.db2.gz	DSULSKWXVBLIOJ-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@H](CCC)C1	1642188308	1170864678	/nfs/dbraw/zinc/86/46/78/1170864678.db2.gz	DSULSKWXVBLIOJ-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC2(CCCC2)C1	1641865531	1170864832	/nfs/dbraw/zinc/86/48/32/1170864832.db2.gz	HCSQYKUYXXIHIT-GFCCVEGCSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](CC)[C@@H]1C	1642790897	1170865363	/nfs/dbraw/zinc/86/53/63/1170865363.db2.gz	JPQVGVSVPVRRBS-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@]1(C)CC(C)C	1643165363	1170865531	/nfs/dbraw/zinc/86/55/31/1170865531.db2.gz	IZGYSENXXADYHY-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](CC)[C@H]1C	1642790896	1170865861	/nfs/dbraw/zinc/86/58/61/1170865861.db2.gz	JPQVGVSVPVRRBS-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@H](CC)CC[C@@H]1C	1643090006	1170865981	/nfs/dbraw/zinc/86/59/81/1170865981.db2.gz	NPDMHFCEYOUWLS-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
CC#CC[N@@H+](C)CCC[C@@H](C)CCC	1643257866	1170866005	/nfs/dbraw/zinc/86/60/05/1170866005.db2.gz	RNVJPRYHODFTMJ-ZDUSSCGKSA-N	1	0	195.350	3.158	10	30		AGEERO
C#CC(C)(C)[N@@H+](C)C[C@@H](C)C(C)(C)C	1642708406	1170866884	/nfs/dbraw/zinc/86/68/84/1170866884.db2.gz	PTDZKBDQIXKGGO-LLVKDONJSA-N	1	0	195.350	3.012	10	30		AGEERO
C=C(C)C[N@H+]1CCCCC[C@H]1C(C)C	1642451177	1170867619	/nfs/dbraw/zinc/86/76/19/1170867619.db2.gz	CFCBQMRDGHDBBV-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@]1(C)CC(C)C	1643165364	1170867860	/nfs/dbraw/zinc/86/78/60/1170867860.db2.gz	IZGYSENXXADYHY-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](CC)[C@H]1C	1642790895	1170867875	/nfs/dbraw/zinc/86/78/75/1170867875.db2.gz	JPQVGVSVPVRRBS-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C#CC(C)(C)[N@@H+](C)C[C@H](C)C(C)(C)C	1642708407	1170868095	/nfs/dbraw/zinc/86/80/95/1170868095.db2.gz	PTDZKBDQIXKGGO-NSHDSACASA-N	1	0	195.350	3.012	10	30		AGEERO
C=C(C)C[N@H+]1CCCCC[C@@H]1C(C)C	1642451176	1170868245	/nfs/dbraw/zinc/86/82/45/1170868245.db2.gz	CFCBQMRDGHDBBV-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](CC)[C@@H]1C	1642790898	1170868872	/nfs/dbraw/zinc/86/88/72/1170868872.db2.gz	JPQVGVSVPVRRBS-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
CC#CC[N@@H+](C)CCC[C@H](C)CCC	1643257865	1170868935	/nfs/dbraw/zinc/86/89/35/1170868935.db2.gz	RNVJPRYHODFTMJ-CYBMUJFWSA-N	1	0	195.350	3.158	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](CC(=C)CC)C1	1643758488	1170871885	/nfs/dbraw/zinc/87/18/85/1170871885.db2.gz	PFLPGTAMNWRVAZ-ZDUSSCGKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](CC(=C)CC)C1	1643758487	1170872354	/nfs/dbraw/zinc/87/23/54/1170872354.db2.gz	PFLPGTAMNWRVAZ-CYBMUJFWSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCCC[N@@H+]1CCC[C@H](CC=C)C1	1643758384	1170873328	/nfs/dbraw/zinc/87/33/28/1170873328.db2.gz	MFCUCAREXSGUMF-ZDUSSCGKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=C(CC)C[N@@H+](CC)C1CC(C)(C)C1	1643403236	1170873523	/nfs/dbraw/zinc/87/35/23/1170873523.db2.gz	JWLIRZIVSUJVKF-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[N@@H+]1CCC[C@@H](CC=C)C1	1643758383	1170874015	/nfs/dbraw/zinc/87/40/15/1170874015.db2.gz	MFCUCAREXSGUMF-CYBMUJFWSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCCCC[N@@H+]1CC[C@H](CC=C)C1	1643961289	1170874338	/nfs/dbraw/zinc/87/43/38/1170874338.db2.gz	WBCNZHWQQPYAOS-ZDUSSCGKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC[C@H]1CC[N@H+](CCCC2CC2)C1	1643961335	1170874382	/nfs/dbraw/zinc/87/43/82/1170874382.db2.gz	XEYKZRJRCGHNBF-ZDUSSCGKSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CCC(C)(C)C)C1	1643961303	1170874401	/nfs/dbraw/zinc/87/44/01/1170874401.db2.gz	WHCCIAQPCVHHRB-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCC[N@@H+]1CC[C@@H](CC=C)C1	1643961288	1170874417	/nfs/dbraw/zinc/87/44/17/1170874417.db2.gz	WBCNZHWQQPYAOS-CYBMUJFWSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CCC(C)(C)C)C1	1643961304	1170874463	/nfs/dbraw/zinc/87/44/63/1170874463.db2.gz	WHCCIAQPCVHHRB-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@@H]1CC[N@H+](CCCC2CC2)C1	1643961334	1170874565	/nfs/dbraw/zinc/87/45/65/1170874565.db2.gz	XEYKZRJRCGHNBF-CYBMUJFWSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCCC[N@@H+]1C[C@H](CC)CC[C@H]1C	1647780364	1170877850	/nfs/dbraw/zinc/87/78/50/1170877850.db2.gz	BPLJLVYYKVWMGU-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](CC=C(C)C)C1	1647403485	1170878155	/nfs/dbraw/zinc/87/81/55/1170878155.db2.gz	IKPKKNTYTMXPFN-ZDUSSCGKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](CC=C(C)C)C1	1647403484	1170878805	/nfs/dbraw/zinc/87/88/05/1170878805.db2.gz	IKPKKNTYTMXPFN-CYBMUJFWSA-N	1	0	193.334	3.241	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@H](CC)CC[C@@H]1C	1645640053	1170880339	/nfs/dbraw/zinc/88/03/39/1170880339.db2.gz	GKYYOLCKPUDIFD-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1CCCC	1648526007	1170882989	/nfs/dbraw/zinc/88/29/89/1170882989.db2.gz	JTRVLJJNZDGKGM-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCCC2(CC1)CC2	1647918264	1170883207	/nfs/dbraw/zinc/88/32/07/1170883207.db2.gz	RCVRSHLCLIYFNM-GFCCVEGCSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CCCC(C)C)C1	1647864029	1170883235	/nfs/dbraw/zinc/88/32/35/1170883235.db2.gz	WMTKDGHNUAUXMU-ZDUSSCGKSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCCC2(CC1)CC2	1647918265	1170883687	/nfs/dbraw/zinc/88/36/87/1170883687.db2.gz	RCVRSHLCLIYFNM-LBPRGKRZSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(C)C[N@H+]1CCC[C@H](C/C=C/C)C1	1647922067	1170883741	/nfs/dbraw/zinc/88/37/41/1170883741.db2.gz	YLOPXFMYHGFUPZ-IHVVCDCBSA-N	1	0	193.334	3.241	10	30		AGEERO
C#CC[N@@H+](CCC=C(C)C)C(C)(C)C	1648369166	1170883863	/nfs/dbraw/zinc/88/38/63/1170883863.db2.gz	FSQQXPDNAHDDMV-UHFFFAOYSA-N	1	0	193.334	3.076	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CCCC(C)C)C1	1647864028	1170883926	/nfs/dbraw/zinc/88/39/26/1170883926.db2.gz	WMTKDGHNUAUXMU-CYBMUJFWSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1CCCC	1648526006	1170883970	/nfs/dbraw/zinc/88/39/70/1170883970.db2.gz	JTRVLJJNZDGKGM-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CCC(C)C)C1	1648695696	1170883990	/nfs/dbraw/zinc/88/39/90/1170883990.db2.gz	CFEGWQHPXBTBMX-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CCC(C)C)C1	1648695699	1170884223	/nfs/dbraw/zinc/88/42/23/1170884223.db2.gz	CFEGWQHPXBTBMX-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1CC(=C)Cl	1648529008	1170884429	/nfs/dbraw/zinc/88/44/29/1170884429.db2.gz	ZUZIMQUAJVIRLA-LLVKDONJSA-N	1	0	199.725	3.170	10	30		AGEERO
C=CCCC[N@@H+](CC)CC(=C)Cl	1648543952	1170884528	/nfs/dbraw/zinc/88/45/28/1170884528.db2.gz	CDXMZRYOVXNRFZ-UHFFFAOYSA-N	1	0	187.714	3.027	10	30		AGEERO
CCCCCCC[N@H+](C)CCCF	1648366913	1170884645	/nfs/dbraw/zinc/88/46/45/1170884645.db2.gz	RZRNRUVLURKTMX-UHFFFAOYSA-N	1	0	189.318	3.248	10	30		AGEERO
C=CC[C@H]1CC[N@@H+]1CC1CCCCC1	1648550314	1170884849	/nfs/dbraw/zinc/88/48/49/1170884849.db2.gz	IBQBSFVMIXDDDG-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCC[N@@H+](CC)CC1CCCC1	1648543854	1170884891	/nfs/dbraw/zinc/88/48/91/1170884891.db2.gz	ACJZJWBWCDVECZ-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)C[N@H+]1CCC[C@H](C/C=C\C)C1	1647922169	1170885009	/nfs/dbraw/zinc/88/50/09/1170885009.db2.gz	YLOPXFMYHGFUPZ-ZFDPJTLLSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1C/C=C/Cl	1648526149	1170885491	/nfs/dbraw/zinc/88/54/91/1170885491.db2.gz	NRPJOQZQAARJFA-BWNDKRECSA-N	1	0	199.725	3.170	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+]1CC1CCCCC1	1648550313	1170885526	/nfs/dbraw/zinc/88/55/26/1170885526.db2.gz	IBQBSFVMIXDDDG-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1C/C=C/Cl	1648526148	1170885610	/nfs/dbraw/zinc/88/56/10/1170885610.db2.gz	NRPJOQZQAARJFA-AYLMVEPYSA-N	1	0	199.725	3.170	10	30		AGEERO
C=C(C)C[N@H+]1CCC[C@@H](C/C=C/C)C1	1647922068	1170885626	/nfs/dbraw/zinc/88/56/26/1170885626.db2.gz	YLOPXFMYHGFUPZ-MUBLQREKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1C/C=C\Cl	1648526151	1170885740	/nfs/dbraw/zinc/88/57/40/1170885740.db2.gz	NRPJOQZQAARJFA-UIJKISKDSA-N	1	0	199.725	3.170	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1C/C=C\Cl	1648526150	1170886152	/nfs/dbraw/zinc/88/61/52/1170886152.db2.gz	NRPJOQZQAARJFA-OFSNVTPPSA-N	1	0	199.725	3.170	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CCC(C)C)C1	1648695698	1170886674	/nfs/dbraw/zinc/88/66/74/1170886674.db2.gz	CFEGWQHPXBTBMX-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CCC(C)C)C1	1648695697	1170887058	/nfs/dbraw/zinc/88/70/58/1170887058.db2.gz	CFEGWQHPXBTBMX-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[N@H+]1CCC[C@@H](C/C=C\C)C1	1647922066	1170887474	/nfs/dbraw/zinc/88/74/74/1170887474.db2.gz	YLOPXFMYHGFUPZ-DSYXLKISSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1CC(=C)Cl	1648529009	1170887491	/nfs/dbraw/zinc/88/74/91/1170887491.db2.gz	ZUZIMQUAJVIRLA-NSHDSACASA-N	1	0	199.725	3.170	10	30		AGEERO
C#CCCCCCC[N@@H+](C)CCCC	1652044537	1170894211	/nfs/dbraw/zinc/89/42/11/1170894211.db2.gz	SDOXJNOBWMRTCP-UHFFFAOYSA-N	1	0	195.350	3.302	10	30		AGEERO
C=CCCCC[NH+]1CCC(C=C)CC1	1652505144	1170895227	/nfs/dbraw/zinc/89/52/27/1170895227.db2.gz	VYAFWDYOKVTPFD-UHFFFAOYSA-N	1	0	193.334	3.241	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@H](C)CCC[C@@H]1C	1652527079	1170895542	/nfs/dbraw/zinc/89/55/42/1170895542.db2.gz	USWFWEQXCRNMKY-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC1CC[NH+]([C@@H](C)[C@@H](C)CC)CC1	1652504786	1170895925	/nfs/dbraw/zinc/89/59/25/1170895925.db2.gz	OYNMEJWBMNVCLX-RYUDHWBXSA-N	1	0	195.350	3.319	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@@H](C)CCC[C@H]1C	1652527080	1170897916	/nfs/dbraw/zinc/89/79/16/1170897916.db2.gz	USWFWEQXCRNMKY-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@@H](C)CCC[C@@H]1C	1652527081	1170898195	/nfs/dbraw/zinc/89/81/95/1170898195.db2.gz	USWFWEQXCRNMKY-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC1CC[NH+]([C@@H](C)[C@H](C)CC)CC1	1652504783	1170898830	/nfs/dbraw/zinc/89/88/30/1170898830.db2.gz	OYNMEJWBMNVCLX-NEPJUHHUSA-N	1	0	195.350	3.319	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@H](C)CCC[C@H]1C	1652527078	1170899058	/nfs/dbraw/zinc/89/90/58/1170899058.db2.gz	USWFWEQXCRNMKY-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[N@H+](CC1CC(C)(C)C1)C(C)C	1652363381	1170899161	/nfs/dbraw/zinc/89/91/61/1170899161.db2.gz	IGUGOSWOEOFRCR-UHFFFAOYSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC1CC[NH+]([C@H](C)[C@H](C)CC)CC1	1652504788	1170899201	/nfs/dbraw/zinc/89/92/01/1170899201.db2.gz	OYNMEJWBMNVCLX-VXGBXAGGSA-N	1	0	195.350	3.319	10	30		AGEERO
C#CCCCCCC[NH2+]CC=C(C)C	1652203974	1170899351	/nfs/dbraw/zinc/89/93/51/1170899351.db2.gz	WDYCZXNWEMOZII-UHFFFAOYSA-N	1	0	193.334	3.126	10	30		AGEERO
C=CC1CC[NH+]([C@H](C)[C@@H](C)CC)CC1	1652504785	1170899458	/nfs/dbraw/zinc/89/94/58/1170899458.db2.gz	OYNMEJWBMNVCLX-NWDGAFQWSA-N	1	0	195.350	3.319	10	30		AGEERO
C#CC[N@@H+](CC)CCCCCCCC	1652640111	1170901010	/nfs/dbraw/zinc/90/10/10/1170901010.db2.gz	IMHMSQWPEAXYKU-UHFFFAOYSA-N	1	0	195.350	3.302	10	30		AGEERO
C=CC[C@@H](C)[NH+]1CCC(CCC)CC1	1652627463	1170901281	/nfs/dbraw/zinc/90/12/81/1170901281.db2.gz	KWNXPMBISXQACT-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H](C)[NH+]1CCC(CCC)CC1	1652627464	1170901888	/nfs/dbraw/zinc/90/18/88/1170901888.db2.gz	KWNXPMBISXQACT-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+](C)CC1(C)CCCC1	1652851901	1170902487	/nfs/dbraw/zinc/90/24/87/1170902487.db2.gz	BWEHKRXLGZLEFR-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
CCCCCCCC[N@@H+]1CC[C@H]2C[C@H]21	1653163357	1170903907	/nfs/dbraw/zinc/90/39/07/1170903907.db2.gz	QORJMYZDBDQQCS-QWHCGFSZSA-N	1	0	195.350	3.441	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCCC[C@@H](C)C1	1653322291	1170904039	/nfs/dbraw/zinc/90/40/39/1170904039.db2.gz	OTPSDKPWFTXNMU-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
CCCCCCCC[N@@H+]1CC[C@@H]2C[C@@H]21	1653163356	1170904672	/nfs/dbraw/zinc/90/46/72/1170904672.db2.gz	QORJMYZDBDQQCS-OLZOCXBDSA-N	1	0	195.350	3.441	10	30		AGEERO
C#CC(C)(C)[N@@H+](C)C[C@@H](C)CC(C)C	1653278835	1170905061	/nfs/dbraw/zinc/90/50/61/1170905061.db2.gz	BXAXEAAVLWZKSE-LBPRGKRZSA-N	1	0	195.350	3.012	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCCC[C@H](C)C1	1653322292	1170905459	/nfs/dbraw/zinc/90/54/59/1170905459.db2.gz	OTPSDKPWFTXNMU-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C#CC(C)(C)[N@@H+](C)C[C@H](C)CC(C)C	1653278834	1170905503	/nfs/dbraw/zinc/90/55/03/1170905503.db2.gz	BXAXEAAVLWZKSE-GFCCVEGCSA-N	1	0	195.350	3.012	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCCC[C@@H](C)C1	1653322294	1170905533	/nfs/dbraw/zinc/90/55/33/1170905533.db2.gz	OTPSDKPWFTXNMU-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C#CC[N@@H+](CCCCC(C)C)C(C)C	1653194875	1170906225	/nfs/dbraw/zinc/90/62/25/1170906225.db2.gz	RGXNLEMXUSAAMG-UHFFFAOYSA-N	1	0	195.350	3.156	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCCC[C@H](C)C1	1653322293	1170906466	/nfs/dbraw/zinc/90/64/66/1170906466.db2.gz	OTPSDKPWFTXNMU-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[NH+]1CCC(C)(CC)CC1	1653265088	1170906758	/nfs/dbraw/zinc/90/67/58/1170906758.db2.gz	WTZUHQXNHRVZAM-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[NH+]1CCC(C)(CC)CC1	1653265087	1170906821	/nfs/dbraw/zinc/90/68/21/1170906821.db2.gz	WTZUHQXNHRVZAM-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C#CCCCCCC[N@@H+](C)CC(C)C	1653235648	1170906845	/nfs/dbraw/zinc/90/68/45/1170906845.db2.gz	WDRXKQCFFRTOSN-UHFFFAOYSA-N	1	0	195.350	3.158	10	30		AGEERO
C=CC[C@H](C)[NH+]1CCC2(CCC2)CC1	1653534276	1170908355	/nfs/dbraw/zinc/90/83/55/1170908355.db2.gz	AAWMWQHXSWSWIZ-LBPRGKRZSA-N	1	0	193.334	3.217	10	30		AGEERO
C#C[C@H](C)[N@@H+](C)C[C@@H](C)CC(C)(C)C	1653459815	1170908395	/nfs/dbraw/zinc/90/83/95/1170908395.db2.gz	KTYRLHHNCKOZPE-RYUDHWBXSA-N	1	0	195.350	3.012	10	30		AGEERO
C#CC[N@@H+](CC)C[C@@H](CC)CCCC	1653508966	1170908533	/nfs/dbraw/zinc/90/85/33/1170908533.db2.gz	CHFUNRQMIICNFH-ZDUSSCGKSA-N	1	0	195.350	3.158	10	30		AGEERO
C#C[C@H](C)[N@@H+](C)C[C@H](C)CC(C)(C)C	1653459813	1170908588	/nfs/dbraw/zinc/90/85/88/1170908588.db2.gz	KTYRLHHNCKOZPE-NEPJUHHUSA-N	1	0	195.350	3.012	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCCC(C)(C)CC1	1653479568	1170908614	/nfs/dbraw/zinc/90/86/14/1170908614.db2.gz	ZSMBHXJYLIUVCH-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[NH+]1CCCCCCCC1	1653625714	1170908774	/nfs/dbraw/zinc/90/87/74/1170908774.db2.gz	DOYLRKCPZNQIKN-UHFFFAOYSA-N	1	0	181.323	3.219	10	30		AGEERO
C=CC[N@@H+](C)C[C@H](C)CC(C)(C)C	1653354626	1170908682	/nfs/dbraw/zinc/90/86/82/1170908682.db2.gz	YSKSAQDYXGBPIL-LLVKDONJSA-N	1	0	183.339	3.177	10	30		AGEERO
C=CC[N@@H+](C)C[C@@H](C)CC(C)(C)C	1653354627	1170909262	/nfs/dbraw/zinc/90/92/62/1170909262.db2.gz	YSKSAQDYXGBPIL-NSHDSACASA-N	1	0	183.339	3.177	10	30		AGEERO
C=CCCCC[N@@H+]1CCC(C)=C(C)C1	1653452504	1170909388	/nfs/dbraw/zinc/90/93/88/1170909388.db2.gz	HJMNQMPXJXTNOM-UHFFFAOYSA-N	1	0	193.334	3.385	10	30		AGEERO
C#C[C@@H](C)[N@@H+](C)C[C@H](C)CC(C)(C)C	1653459816	1170909618	/nfs/dbraw/zinc/90/96/18/1170909618.db2.gz	KTYRLHHNCKOZPE-VXGBXAGGSA-N	1	0	195.350	3.012	10	30		AGEERO
C=CC[N@@H+](C)CC1CCC2(CC1)CC2	1653354318	1170910381	/nfs/dbraw/zinc/91/03/81/1170910381.db2.gz	QUFNWBVBXQIJST-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCCC(C)(C)CC1	1653479569	1170910468	/nfs/dbraw/zinc/91/04/68/1170910468.db2.gz	ZSMBHXJYLIUVCH-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C#CC[N@@H+](CC)C[C@H](CC)CCCC	1653508965	1170910650	/nfs/dbraw/zinc/91/06/50/1170910650.db2.gz	CHFUNRQMIICNFH-CYBMUJFWSA-N	1	0	195.350	3.158	10	30		AGEERO
C=CC[C@@H](C)[NH+]1CCC2(CCC2)CC1	1653534275	1170910792	/nfs/dbraw/zinc/91/07/92/1170910792.db2.gz	AAWMWQHXSWSWIZ-GFCCVEGCSA-N	1	0	193.334	3.217	10	30		AGEERO
C#C[C@@H](C)[N@@H+](C)C[C@@H](C)CC(C)(C)C	1653459814	1170911732	/nfs/dbraw/zinc/91/17/32/1170911732.db2.gz	KTYRLHHNCKOZPE-NWDGAFQWSA-N	1	0	195.350	3.012	10	30		AGEERO
C=C[C@H]1CCCC[N@@H+]1CCCC1CC1	1654323403	1170912081	/nfs/dbraw/zinc/91/20/81/1170912081.db2.gz	PVPDZZYIBDTQAJ-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CC/C=C\CC)C1	1654347666	1170912110	/nfs/dbraw/zinc/91/21/10/1170912110.db2.gz	GBHVCIKMRHWEQU-CFHLNLSMSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCCCC[N@@H+](CC)CC1CCC1	1654269209	1170912175	/nfs/dbraw/zinc/91/21/75/1170912175.db2.gz	SNIJAHAMJHZBKP-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CC/C=C\CC)C1	1654347668	1170912213	/nfs/dbraw/zinc/91/22/13/1170912213.db2.gz	GBHVCIKMRHWEQU-SZZPACECSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CC/C=C/CC)C1	1654347667	1170912387	/nfs/dbraw/zinc/91/23/87/1170912387.db2.gz	GBHVCIKMRHWEQU-GFUIURDCSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[N@H+]1CCCC(CC)(CC)C1	1654233483	1170913292	/nfs/dbraw/zinc/91/32/92/1170913292.db2.gz	SBZJFNRCFIARBY-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C[C@@H]1CCCC[N@@H+]1CCCC1CC1	1654323402	1170914056	/nfs/dbraw/zinc/91/40/56/1170914056.db2.gz	PVPDZZYIBDTQAJ-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCCC[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C	1653941789	1170914072	/nfs/dbraw/zinc/91/40/72/1170914072.db2.gz	CMVHEWNTTIIKNL-AVGNSLFASA-N	1	0	195.350	3.319	10	30		AGEERO
C#CC(C)(C)[N@H+](C)CCCCCC=C	1654134349	1170914197	/nfs/dbraw/zinc/91/41/97/1170914197.db2.gz	ZABFUHGVKMYYLT-UHFFFAOYSA-N	1	0	193.334	3.076	10	30		AGEERO
C=CC[N@@H+](C)C[C@H]1CCCCC1(C)C	1654217900	1170914395	/nfs/dbraw/zinc/91/43/95/1170914395.db2.gz	GZGUAIWAUAYYDY-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C#CC(C)(C)[N@@H+](C)CCCCCCC	1654133982	1170914416	/nfs/dbraw/zinc/91/44/16/1170914416.db2.gz	TZZADLSQAPYKNK-UHFFFAOYSA-N	1	0	195.350	3.300	10	30		AGEERO
CC#CC[N@@H+](C)CCCC(CC)CC	1654370807	1170914799	/nfs/dbraw/zinc/91/47/99/1170914799.db2.gz	VOHRTWDVOUGOPN-UHFFFAOYSA-N	1	0	195.350	3.158	10	30		AGEERO
C=CC[N@@H+](C)C[C@@H]1CCCCC1(C)C	1654217901	1170915164	/nfs/dbraw/zinc/91/51/64/1170915164.db2.gz	GZGUAIWAUAYYDY-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCC[N@H+]1C[C@H](C)[C@H](C)[C@H]1C	1653941790	1170915177	/nfs/dbraw/zinc/91/51/77/1170915177.db2.gz	CMVHEWNTTIIKNL-RWMBFGLXSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CC/C=C/CC)C1	1654347669	1170915313	/nfs/dbraw/zinc/91/53/13/1170915313.db2.gz	GBHVCIKMRHWEQU-URWSZGRFSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCCCC[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C	1653941791	1170915634	/nfs/dbraw/zinc/91/56/34/1170915634.db2.gz	CMVHEWNTTIIKNL-XQQFMLRXSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCCC[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C	1653941792	1170915692	/nfs/dbraw/zinc/91/56/92/1170915692.db2.gz	CMVHEWNTTIIKNL-YNEHKIRRSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCCC[N@H+]1CCCC(C)(C)C1	1654159689	1170915970	/nfs/dbraw/zinc/91/59/70/1170915970.db2.gz	ZCPNSBWYUMHUJC-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C2CC2)C1	1654617787	1170916291	/nfs/dbraw/zinc/91/62/91/1170916291.db2.gz	IJOCKIFCKWTJEK-DGCLKSJQSA-N	1	0	193.334	3.073	10	30		AGEERO
C#CCCCCCC[N@@H+](C)C(C)(C)C	1654833570	1170916366	/nfs/dbraw/zinc/91/63/66/1170916366.db2.gz	BRGFBDPRBMUVBF-UHFFFAOYSA-N	1	0	195.350	3.300	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@@H](C2CC2)C1	1654617788	1170916523	/nfs/dbraw/zinc/91/65/23/1170916523.db2.gz	IJOCKIFCKWTJEK-WCQYABFASA-N	1	0	193.334	3.073	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@H](C2CC2)C1	1654617789	1170917021	/nfs/dbraw/zinc/91/70/21/1170917021.db2.gz	IJOCKIFCKWTJEK-YPMHNXCESA-N	1	0	193.334	3.073	10	30		AGEERO
C#CC[N@@H+](C[C@H](C)CC(C)C)C(C)C	1654869736	1170917193	/nfs/dbraw/zinc/91/71/93/1170917193.db2.gz	VVIJKYVKTMYLHL-CYBMUJFWSA-N	1	0	195.350	3.012	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@H](C2CC2)C1	1654617786	1170917479	/nfs/dbraw/zinc/91/74/79/1170917479.db2.gz	IJOCKIFCKWTJEK-AAEUAGOBSA-N	1	0	193.334	3.073	10	30		AGEERO
C#CC[N@@H+](C[C@@H](C)CC(C)C)C(C)C	1654869737	1170919401	/nfs/dbraw/zinc/91/94/01/1170919401.db2.gz	VVIJKYVKTMYLHL-ZDUSSCGKSA-N	1	0	195.350	3.012	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1CCC(C)(C)CC	1655023398	1170920217	/nfs/dbraw/zinc/92/02/17/1170920217.db2.gz	QLPFARZPPJHGOH-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1CCC(C)(C)CC	1655023399	1170920428	/nfs/dbraw/zinc/92/04/28/1170920428.db2.gz	QLPFARZPPJHGOH-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@@H+]1CC(C)(C)CCC1(C)C	1655121541	1170920519	/nfs/dbraw/zinc/92/05/19/1170920519.db2.gz	QLJRFUFHSKTUJK-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
CCCCCCC[N@@H+]1CC[C@H]2C[C@H]2C1	1655147389	1170920759	/nfs/dbraw/zinc/92/07/59/1170920759.db2.gz	QWXYKPHDEKQDBD-STQMWFEESA-N	1	0	195.350	3.299	10	30		AGEERO
C=C/C=C/CC[N@H+](CC=C)C(C)(C)C	1655093818	1170920767	/nfs/dbraw/zinc/92/07/67/1170920767.db2.gz	MQSCCXKHPJQUDR-CMDGGOBGSA-N	1	0	193.334	3.405	10	30		AGEERO
C=C/C=C\CC[N@H+](CC=C)C(C)(C)C	1655093819	1170920779	/nfs/dbraw/zinc/92/07/79/1170920779.db2.gz	MQSCCXKHPJQUDR-HJWRWDBZSA-N	1	0	193.334	3.405	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@@H](C)C#CCC	1655014544	1170920891	/nfs/dbraw/zinc/92/08/91/1170920891.db2.gz	NGCDKMUCKLWBJT-ZDUSSCGKSA-N	1	0	193.334	3.076	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@H](C)C#CCC	1655014543	1170920927	/nfs/dbraw/zinc/92/09/27/1170920927.db2.gz	NGCDKMUCKLWBJT-CYBMUJFWSA-N	1	0	193.334	3.076	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+]1CCC1CCCC1	1655023693	1170920940	/nfs/dbraw/zinc/92/09/40/1170920940.db2.gz	WKALXICKKQGZJP-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCC[N@@H+](CC)CC1CC(C)C1	1655014347	1170921018	/nfs/dbraw/zinc/92/10/18/1170921018.db2.gz	ILGBKBOVSRHSCQ-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@H]1CC[N@@H+]1CCC1CCCC1	1655023694	1170921082	/nfs/dbraw/zinc/92/10/82/1170921082.db2.gz	WKALXICKKQGZJP-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
CCC#C[C@@H](C)[NH2+]C1(CCCC)CC1	1655046598	1170921300	/nfs/dbraw/zinc/92/13/00/1170921300.db2.gz	RMPWTGGPEGTXKN-GFCCVEGCSA-N	1	0	193.334	3.101	10	30		AGEERO
CCC#C[C@H](C)[NH2+]C1(CCCC)CC1	1655046599	1170921365	/nfs/dbraw/zinc/92/13/65/1170921365.db2.gz	RMPWTGGPEGTXKN-LBPRGKRZSA-N	1	0	193.334	3.101	10	30		AGEERO
C=CC[N@H+](C[Si](C)(C)C)C(C)(C)C	1655094074	1170921374	/nfs/dbraw/zinc/92/13/74/1170921374.db2.gz	QZKXDMKAKBIHIR-UHFFFAOYSA-N	1	0	199.414	3.150	10	30		AGEERO
CCCCCCC[N@@H+]1CC[C@@H]2C[C@@H]2C1	1655147386	1170921418	/nfs/dbraw/zinc/92/14/18/1170921418.db2.gz	QWXYKPHDEKQDBD-CHWSQXEVSA-N	1	0	195.350	3.299	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@H](C)CCC	1656401910	1170922484	/nfs/dbraw/zinc/92/24/84/1170922484.db2.gz	IVADZNKXCNKKHC-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1CCC(=C)C	1656377113	1170922591	/nfs/dbraw/zinc/92/25/91/1170922591.db2.gz	LTRYLIVKCQSJLQ-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@@H](C)CCC	1656401912	1170922702	/nfs/dbraw/zinc/92/27/02/1170922702.db2.gz	IVADZNKXCNKKHC-LBPRGKRZSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@@H](C)CC=C	1656401725	1170923330	/nfs/dbraw/zinc/92/33/30/1170923330.db2.gz	GGGBCCNZIPOTRE-LBPRGKRZSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@H](C)CC=C	1656401724	1170923894	/nfs/dbraw/zinc/92/38/94/1170923894.db2.gz	GGGBCCNZIPOTRE-GFCCVEGCSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1CCC(=C)C	1656377114	1170924084	/nfs/dbraw/zinc/92/40/84/1170924084.db2.gz	LTRYLIVKCQSJLQ-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1CC(C)C	1656377525	1170924447	/nfs/dbraw/zinc/92/44/47/1170924447.db2.gz	XBIPIFPPCACVRG-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@@H+](CC)C[Si](C)(C)C	1656401521	1170924532	/nfs/dbraw/zinc/92/45/32/1170924532.db2.gz	DPLZZWMHUWHREZ-UHFFFAOYSA-N	1	0	199.414	3.152	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1CC(C)C	1656377520	1170924773	/nfs/dbraw/zinc/92/47/73/1170924773.db2.gz	XBIPIFPPCACVRG-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC(C)(C)[NH2+]CC1CCCCC1	1657107514	1170926668	/nfs/dbraw/zinc/92/66/68/1170926668.db2.gz	AJHJUZSGTUORSQ-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[N@H+]1CCCCC[C@H]1C(C)C	1657972829	1170927889	/nfs/dbraw/zinc/92/78/89/1170927889.db2.gz	WQCLXJFZKKUWBU-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@@H+]1CC[C@H](C)C(C)(C)C1	1658177303	1170927939	/nfs/dbraw/zinc/92/79/39/1170927939.db2.gz	XNODFEALFAOQMJ-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[NH+](CC=C)CC1(C(C)C)CC1	1657573111	1170928204	/nfs/dbraw/zinc/92/82/04/1170928204.db2.gz	WERUBFXJCLWCKO-UHFFFAOYSA-N	1	0	193.334	3.097	10	30		AGEERO
C=CCC[N@H+]1CCCCC[C@@H]1C(C)C	1657972828	1170928883	/nfs/dbraw/zinc/92/88/83/1170928883.db2.gz	WQCLXJFZKKUWBU-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@@H+]1CC[C@@H](C)C(C)(C)C1	1658177302	1170929983	/nfs/dbraw/zinc/92/99/83/1170929983.db2.gz	XNODFEALFAOQMJ-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@H](C)[N@H+]1CC[C@@H](CC)[C@H]1C	1658341374	1170931348	/nfs/dbraw/zinc/93/13/48/1170931348.db2.gz	RLOYDQYBBPUKIW-QJPTWQEYSA-N	1	0	181.323	3.071	10	30		AGEERO
C#CC(C)(C)[N@@H+](C)CCC(C)(C)CC	1658236897	1170931427	/nfs/dbraw/zinc/93/14/27/1170931427.db2.gz	VSDRRBRFFOBRMP-UHFFFAOYSA-N	1	0	195.350	3.156	10	30		AGEERO
C=CC[C@H](C)[N@H+]1CC[C@@H](CC)[C@@H]1C	1658341375	1170931496	/nfs/dbraw/zinc/93/14/96/1170931496.db2.gz	RLOYDQYBBPUKIW-SDDRHHMPSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C/C=C/CC[N@@H+]1CCCC[C@@H]1C=C	1658479098	1170931778	/nfs/dbraw/zinc/93/17/78/1170931778.db2.gz	FHYSPACPWPSCEP-GFUIURDCSA-N	1	0	191.318	3.159	10	30		AGEERO
C=CC[C@H](C)[N@H+]1CC[C@H](CC)[C@@H]1C	1658341376	1170932252	/nfs/dbraw/zinc/93/22/52/1170932252.db2.gz	RLOYDQYBBPUKIW-SRVKXCTJSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@H](C)[N@H+]1CC[C@H](CC)[C@H]1C	1658341377	1170932586	/nfs/dbraw/zinc/93/25/86/1170932586.db2.gz	RLOYDQYBBPUKIW-TUAOUCFPSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C/C=C\CC[N@@H+]1CCCC[C@@H]1C=C	1658479099	1170933359	/nfs/dbraw/zinc/93/33/59/1170933359.db2.gz	FHYSPACPWPSCEP-SZZPACECSA-N	1	0	191.318	3.159	10	30		AGEERO
C=C/C=C/CC[N@@H+]1CCCC[C@H]1C=C	1658479100	1170933446	/nfs/dbraw/zinc/93/34/46/1170933446.db2.gz	FHYSPACPWPSCEP-URWSZGRFSA-N	1	0	191.318	3.159	10	30		AGEERO
C=C(C)C[NH+]1CCCCCCCC1	1658670520	1170933453	/nfs/dbraw/zinc/93/34/53/1170933453.db2.gz	HNOKCVLGDNUEDC-UHFFFAOYSA-N	1	0	181.323	3.219	10	30		AGEERO
C=C(C)C[N@@H+](CC)CC1(C(C)C)CC1	1658673712	1170933726	/nfs/dbraw/zinc/93/37/26/1170933726.db2.gz	JXBPIVOHKJHYGG-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C/C=C\CC[N@@H+]1CCCC[C@H]1C=C	1658479097	1170933754	/nfs/dbraw/zinc/93/37/54/1170933754.db2.gz	FHYSPACPWPSCEP-CFHLNLSMSA-N	1	0	191.318	3.159	10	30		AGEERO
C=C1CC[NH+](CCCCC(C)C)CC1	1658333043	1170934193	/nfs/dbraw/zinc/93/41/93/1170934193.db2.gz	YUJPTWDYSRBZOW-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCC[NH2+][C@@H](C)[C@@H]1CCC[C@H](C)C1	1659017206	1170935026	/nfs/dbraw/zinc/93/50/26/1170935026.db2.gz	VTQPHRBSDFRTQD-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+][C@@H](C)[C@H]1CCC[C@H](C)C1	1659017203	1170935206	/nfs/dbraw/zinc/93/52/06/1170935206.db2.gz	VTQPHRBSDFRTQD-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[NH2+][C@H]1C[C@@H]2CCC[C@@H]21	1658938923	1170935251	/nfs/dbraw/zinc/93/52/51/1170935251.db2.gz	CNTYUXFMMBIHSY-AVGNSLFASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCCC[C@@H](C)[NH2+]CCC#CC	1658687812	1170936464	/nfs/dbraw/zinc/93/64/64/1170936464.db2.gz	QQVUGWBEVXOGGE-CYBMUJFWSA-N	1	0	193.334	3.124	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]CC(C)(C)C1CC1	1658990197	1170937366	/nfs/dbraw/zinc/93/73/66/1170937366.db2.gz	JIMZJCGVNSZDNR-LLVKDONJSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+][C@@H](C)[C@H]1CCC[C@@H](C)C1	1659017201	1170937515	/nfs/dbraw/zinc/93/75/15/1170937515.db2.gz	VTQPHRBSDFRTQD-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+][C@@H](C)[C@@H]1CCC[C@@H](C)C1	1659017204	1170937778	/nfs/dbraw/zinc/93/77/78/1170937778.db2.gz	VTQPHRBSDFRTQD-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[C@H](C)[NH2+]CCC#CC	1658687813	1170937796	/nfs/dbraw/zinc/93/77/96/1170937796.db2.gz	QQVUGWBEVXOGGE-ZDUSSCGKSA-N	1	0	193.334	3.124	10	30		AGEERO
C=CCC[C@H](C)[NH2+]CC(C)(C)C1CC1	1658990198	1170937865	/nfs/dbraw/zinc/93/78/65/1170937865.db2.gz	JIMZJCGVNSZDNR-NSHDSACASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[N@H+](CC1(C)CCCC1)C(C)C	1658927397	1170938021	/nfs/dbraw/zinc/93/80/21/1170938021.db2.gz	OGGHDOIWKXOIRO-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[NH2+][C@@H]1C[C@@H]2CCC[C@@H]21	1658938924	1170938039	/nfs/dbraw/zinc/93/80/39/1170938039.db2.gz	CNTYUXFMMBIHSY-RWMBFGLXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(CC)C[NH2+][C@H]1CCC[C@H]1C(C)C	1659451761	1170938795	/nfs/dbraw/zinc/93/87/95/1170938795.db2.gz	HTSXYACXNXEELK-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[N@@H+](C)CC1(C)CCCC1	1659466704	1170939177	/nfs/dbraw/zinc/93/91/77/1170939177.db2.gz	AQHWJAMUVGSCOV-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[N@@H+](CC)CCCCC	1660512241	1170947820	/nfs/dbraw/zinc/94/78/20/1170947820.db2.gz	CIUPXFWALFWWMY-UHFFFAOYSA-N	1	0	183.339	3.465	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CCC[C@H]1C(C)C	1659451760	1170940143	/nfs/dbraw/zinc/94/01/43/1170940143.db2.gz	HTSXYACXNXEELK-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[N@@H+](CCC1CCC1)C(C)(C)C	1659466803	1170940750	/nfs/dbraw/zinc/94/07/50/1170940750.db2.gz	IIYKOYMNIFEWPK-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[NH+](CC=C)CCCCC(C)C	1659240600	1170941131	/nfs/dbraw/zinc/94/11/31/1170941131.db2.gz	NVKXTVKGAKAWGD-UHFFFAOYSA-N	1	0	195.350	3.487	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CCC[C@@H]1C(C)C	1659451758	1170941582	/nfs/dbraw/zinc/94/15/82/1170941582.db2.gz	HTSXYACXNXEELK-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@H]1CCC[C@@H]1C(C)C	1659451759	1170941674	/nfs/dbraw/zinc/94/16/74/1170941674.db2.gz	HTSXYACXNXEELK-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[N@@H+](C)CCCCC(C)C	1660316182	1170942205	/nfs/dbraw/zinc/94/22/05/1170942205.db2.gz	LCKKTOIUFYAVHA-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC(C)(C)CCC[NH2+][C@@H](C)C1CC1	1659963429	1170942848	/nfs/dbraw/zinc/94/28/48/1170942848.db2.gz	HFPFVSNPNZAEHT-NSHDSACASA-N	1	0	195.350	3.367	10	30		AGEERO
C#CC[N@@H+](CCCC(C)(C)C)C(C)C	1660279356	1170944368	/nfs/dbraw/zinc/94/43/68/1170944368.db2.gz	FURHTLBXYNEQPD-UHFFFAOYSA-N	1	0	195.350	3.156	10	30		AGEERO
C#CC[N@@H+](CCC(C)(C)C)C(C)(C)C	1660233558	1170944569	/nfs/dbraw/zinc/94/45/69/1170944569.db2.gz	KIKBTTYBDHBNKZ-UHFFFAOYSA-N	1	0	195.350	3.156	10	30		AGEERO
C=CC(C)(C)CCC[NH2+][C@H](C)C1CC1	1659963428	1170944874	/nfs/dbraw/zinc/94/48/74/1170944874.db2.gz	HFPFVSNPNZAEHT-LLVKDONJSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CCC[NH2+]C[C@H]1C[C@H]1C	1660648312	1170945260	/nfs/dbraw/zinc/94/52/60/1170945260.db2.gz	FWQFEOGRUIZUGK-VXGBXAGGSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CCCC[N@@H+](CC)CCC1CCC1	1660513354	1170945945	/nfs/dbraw/zinc/94/59/45/1170945945.db2.gz	SQVIERWKNWVRBK-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCC[C@@H]1CCC[N@H+]1CC(=C)CC	1660483595	1170946315	/nfs/dbraw/zinc/94/63/15/1170946315.db2.gz	CSGRJFBZLVZJNY-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@@H]1CCC	1660494781	1170946360	/nfs/dbraw/zinc/94/63/60/1170946360.db2.gz	GOQOXXIYGXUGKN-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@H]1CCC	1660494780	1170946513	/nfs/dbraw/zinc/94/65/13/1170946513.db2.gz	GOQOXXIYGXUGKN-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@@H]1CCC[C@@H](C)C1	1660867170	1170946644	/nfs/dbraw/zinc/94/66/44/1170946644.db2.gz	BHERUNLSWCZBTK-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@@H]1CCC[C@H](C)C1	1660867167	1170946672	/nfs/dbraw/zinc/94/66/72/1170946672.db2.gz	BHERUNLSWCZBTK-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1CCCC(C)C	1660528451	1170946696	/nfs/dbraw/zinc/94/66/96/1170946696.db2.gz	ZZEOXUGOHXMIMN-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1CCCC(C)C	1660528450	1170946956	/nfs/dbraw/zinc/94/69/56/1170946956.db2.gz	ZZEOXUGOHXMIMN-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC(C)(C)CCC[NH2+]C[C@@H]1C[C@@H]1C	1660648311	1170946983	/nfs/dbraw/zinc/94/69/83/1170946983.db2.gz	FWQFEOGRUIZUGK-RYUDHWBXSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@H]1CCC[C@@H](C)C1	1660867165	1170947313	/nfs/dbraw/zinc/94/73/13/1170947313.db2.gz	BHERUNLSWCZBTK-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]1CCC[N@H+]1CC(=C)CC	1660483596	1170947466	/nfs/dbraw/zinc/94/74/66/1170947466.db2.gz	CSGRJFBZLVZJNY-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CC(C)(C)CCC[NH2+]C[C@H]1C[C@@H]1C	1660648310	1170947611	/nfs/dbraw/zinc/94/76/11/1170947611.db2.gz	FWQFEOGRUIZUGK-NWDGAFQWSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC(C)(C)CCC[NH2+]C[C@@H]1C[C@H]1C	1660648309	1170947972	/nfs/dbraw/zinc/94/79/72/1170947972.db2.gz	FWQFEOGRUIZUGK-NEPJUHHUSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC(C)(C)[NH2+]C[C@H]1CCC[C@H](C)C1	1660867168	1170948109	/nfs/dbraw/zinc/94/81/09/1170948109.db2.gz	BHERUNLSWCZBTK-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC1([NH2+]C(C)C)CCCCC1	1662457551	1170949799	/nfs/dbraw/zinc/94/97/99/1170949799.db2.gz	XBOMDGKTKKEOLC-UHFFFAOYSA-N	1	0	181.323	3.263	10	30		AGEERO
C=CC(C)(C)CCC[NH2+]CCCC	1665595851	1170953591	/nfs/dbraw/zinc/95/35/91/1170953591.db2.gz	VIZNZHBRIKEJEZ-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
C=CC(C)(C)CCC[NH2+]C1CC(C)C1	1665595371	1170954330	/nfs/dbraw/zinc/95/43/30/1170954330.db2.gz	NKYWCNHGXRYVTM-UHFFFAOYSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+]CCC1CCC(C)CC1	70592517	571674548	/nfs/dbraw/zinc/67/45/48/571674548.db2.gz	HIHXVUIZDCNXPU-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+][C@@H](C)C(CC)CC	70592458	571675673	/nfs/dbraw/zinc/67/56/73/571675673.db2.gz	XPFNEQPWIADYOK-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH3+])CCC(C)C	70594670	571676768	/nfs/dbraw/zinc/67/67/68/571676768.db2.gz	PPVKJPBYRWCROG-LLVKDONJSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[NH2+][C@H](CC)CC1CC1	70592486	571673614	/nfs/dbraw/zinc/67/36/14/571673614.db2.gz	RCYOBESKNHEPRF-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+]CC1(C)CCCC1	70592448	571673823	/nfs/dbraw/zinc/67/38/23/571673823.db2.gz	WRLSFMXNBDFMCO-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=CCC[NH2+]CCC1=CCCCC1	70592252	571673997	/nfs/dbraw/zinc/67/39/97/571673997.db2.gz	JJNLVSZEIBHFOO-UHFFFAOYSA-N	1	0	179.307	3.043	10	30		AGEERO
C=CCC[NH2+]CC[C@H]1CCC[C@@H](C)C1	70592509	571674252	/nfs/dbraw/zinc/67/42/52/571674252.db2.gz	KUYHMOASMXGHAI-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+]CCCCCC	70592504	571674418	/nfs/dbraw/zinc/67/44/18/571674418.db2.gz	MFIJLCNKIUEKRG-UHFFFAOYSA-N	1	0	169.312	3.123	10	30		AGEERO
C=CCCC[NH2+][C@H](C)C(CC)CC	70592457	571674703	/nfs/dbraw/zinc/67/47/03/571674703.db2.gz	XPFNEQPWIADYOK-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[NH2+]CC[C@@H]1CCC[C@@H](C)C1	70592511	571674745	/nfs/dbraw/zinc/67/47/45/571674745.db2.gz	KUYHMOASMXGHAI-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+]CCC1=CCCCC1	70592253	571674920	/nfs/dbraw/zinc/67/49/20/571674920.db2.gz	ZFFABCYEUSJFLA-UHFFFAOYSA-N	1	0	193.334	3.433	10	30		AGEERO
C=CCC[NH2+]CC[C@@H]1CCC[C@H](C)C1	70592512	571675181	/nfs/dbraw/zinc/67/51/81/571675181.db2.gz	KUYHMOASMXGHAI-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+]C1(C)CCCCC1	70592157	571675393	/nfs/dbraw/zinc/67/53/93/571675393.db2.gz	YBAGQOUGLVKXAU-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CCC[NH2+]CC[C@H]1CCC[C@H](C)C1	70592510	571675489	/nfs/dbraw/zinc/67/54/89/571675489.db2.gz	KUYHMOASMXGHAI-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)c1cccs1	70594095	571677697	/nfs/dbraw/zinc/67/76/97/571677697.db2.gz	VGFCEWAMFQQDPD-JTQLQIEISA-N	1	0	195.331	3.365	10	30		AGEERO
C=CCCC[NH2+][C@@H](CC)CC1CC1	70592485	571675615	/nfs/dbraw/zinc/67/56/15/571675615.db2.gz	RCYOBESKNHEPRF-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]([NH3+])C1CCC(C)CC1	70594813	571677703	/nfs/dbraw/zinc/67/77/03/571677703.db2.gz	PIKLCGYUKADZHQ-MCIGGMRASA-N	1	0	181.323	3.106	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1ccc(C)cc1	70594110	571676041	/nfs/dbraw/zinc/67/60/41/571676041.db2.gz	PNJAPJBKDJXOJJ-ZDUSSCGKSA-N	1	0	189.302	3.351	10	30		AGEERO
C=CCCC[C@@H]([NH3+])C1CCC(C)CC1	70594810	571676064	/nfs/dbraw/zinc/67/60/64/571676064.db2.gz	DYCNOEAPTCACCV-WXRRBKDZSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)C1CCCC1	70594559	571676068	/nfs/dbraw/zinc/67/60/68/571676068.db2.gz	GPJKJBWHUZYRGR-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H](CCC(C)C)[NH2+]CC	70594680	571676091	/nfs/dbraw/zinc/67/60/91/571676091.db2.gz	BKCRVKWXLCGZHY-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH2+]CC)c1ccoc1	70595231	571679133	/nfs/dbraw/zinc/67/91/33/571679133.db2.gz	QRAHVBNWASQRHE-GFCCVEGCSA-N	1	0	193.290	3.287	10	30		AGEERO
C=CCCC[C@H]([NH3+])C1CCCCC1	70594197	571676105	/nfs/dbraw/zinc/67/61/05/571676105.db2.gz	AWCIRAHSHMOABZ-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@H]([NH2+]CC)c1ccco1	70594952	571676132	/nfs/dbraw/zinc/67/61/32/571676132.db2.gz	MLRLXVIVSQMEDB-NSHDSACASA-N	1	0	193.290	3.287	10	30		AGEERO
C=CCCC[C@@H](CC(C)C)[NH2+]CC	70594380	571676148	/nfs/dbraw/zinc/67/61/48/571676148.db2.gz	BLYOJAOQZKZDMQ-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1ccccc1F	70595061	571676195	/nfs/dbraw/zinc/67/61/95/571676195.db2.gz	GGPCKHNLOOAJGZ-GFCCVEGCSA-N	1	0	193.265	3.182	10	30		AGEERO
C=CCC[C@@H]([NH3+])C1CCC(C)CC1	70594812	571676227	/nfs/dbraw/zinc/67/62/27/571676227.db2.gz	PIKLCGYUKADZHQ-HTAVTVPLSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@@H](C)CCCC	300999145	571676231	/nfs/dbraw/zinc/67/62/31/571676231.db2.gz	XRAAPXGGHWPMAQ-RYUDHWBXSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1cccc(C)c1	70594190	571676288	/nfs/dbraw/zinc/67/62/88/571676288.db2.gz	FCBXQNYMOWWCHN-ZDUSSCGKSA-N	1	0	189.302	3.351	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1ccc(C)cc1	70594109	571676294	/nfs/dbraw/zinc/67/62/94/571676294.db2.gz	PNJAPJBKDJXOJJ-CYBMUJFWSA-N	1	0	189.302	3.351	10	30		AGEERO
C=CCCC[C@@H]([NH2+]CCC)C(C)C	70594409	571676320	/nfs/dbraw/zinc/67/63/20/571676320.db2.gz	SQFJNNPFYZCOEN-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H](CC(C)C)[NH2+]CCC	70594386	571676323	/nfs/dbraw/zinc/67/63/23/571676323.db2.gz	AFHCLHAZZOKBKP-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1cccc(F)c1	70594064	571676367	/nfs/dbraw/zinc/67/63/67/571676367.db2.gz	AAOFNEFAEHBUFX-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1ccccc1C	70594186	571676377	/nfs/dbraw/zinc/67/63/77/571676377.db2.gz	BYQLXYVBAPWAJY-ZDUSSCGKSA-N	1	0	189.302	3.351	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1ccccc1C	70594426	571676706	/nfs/dbraw/zinc/67/67/06/571676706.db2.gz	KHUACOOPYNZHSL-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC)C1CCCC1	70594565	571676436	/nfs/dbraw/zinc/67/64/36/571676436.db2.gz	OQZYSCQXMRLXSA-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC)c1cccs1	70594096	571676464	/nfs/dbraw/zinc/67/64/64/571676464.db2.gz	VGFCEWAMFQQDPD-SNVBAGLBSA-N	1	0	195.331	3.365	10	30		AGEERO
C=CCCC[C@H](CC(C)C)[NH2+]CC	70594381	571676468	/nfs/dbraw/zinc/67/64/68/571676468.db2.gz	BLYOJAOQZKZDMQ-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)c1ccccc1	70594389	571676486	/nfs/dbraw/zinc/67/64/86/571676486.db2.gz	GPYYRBMDBBVBMO-CYBMUJFWSA-N	1	0	189.302	3.303	10	30		AGEERO
C=CCC[C@H]([NH2+]C)c1cccc(F)c1	70594063	571676517	/nfs/dbraw/zinc/67/65/17/571676517.db2.gz	AAOFNEFAEHBUFX-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)C1CCCC1	70594564	571676545	/nfs/dbraw/zinc/67/65/45/571676545.db2.gz	OQZYSCQXMRLXSA-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](CC(C)C)[NH2+]CCC	70594387	571676600	/nfs/dbraw/zinc/67/66/00/571676600.db2.gz	AFHCLHAZZOKBKP-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H]([NH3+])C1CCC(C)CC1	70594811	571676695	/nfs/dbraw/zinc/67/66/95/571676695.db2.gz	DYCNOEAPTCACCV-BPCQOVAHSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CCCC[C@@H]([NH2+]CC)c1ccco1	70594953	571676674	/nfs/dbraw/zinc/67/66/74/571676674.db2.gz	MLRLXVIVSQMEDB-LLVKDONJSA-N	1	0	193.290	3.287	10	30		AGEERO
C=CCCC[C@@H](CCC(C)C)[NH2+]C	70594675	571676678	/nfs/dbraw/zinc/67/66/78/571676678.db2.gz	UZRBGVSDIRVSER-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)C1CCCCC1	70594471	571676685	/nfs/dbraw/zinc/67/66/85/571676685.db2.gz	FYBKJINVMLTLCY-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1cccc(C)c1	70594436	571676787	/nfs/dbraw/zinc/67/67/87/571676787.db2.gz	NEONMUWNYCFIME-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)c1ccccc1	70594388	571676802	/nfs/dbraw/zinc/67/68/02/571676802.db2.gz	GPYYRBMDBBVBMO-ZDUSSCGKSA-N	1	0	189.302	3.303	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1cccc(C)c1	70594189	571676808	/nfs/dbraw/zinc/67/68/08/571676808.db2.gz	FCBXQNYMOWWCHN-CYBMUJFWSA-N	1	0	189.302	3.351	10	30		AGEERO
C=CCCC[C@@H]([NH2+]CCC)C1CC1	70594501	571676812	/nfs/dbraw/zinc/67/68/12/571676812.db2.gz	WELWJGZPSHNBCF-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)c1ccsc1	70594306	571676824	/nfs/dbraw/zinc/67/68/24/571676824.db2.gz	YEVHXUANFAZDCI-NSHDSACASA-N	1	0	195.331	3.365	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1ccccc1C	70594185	571677340	/nfs/dbraw/zinc/67/73/40/571677340.db2.gz	BYQLXYVBAPWAJY-CYBMUJFWSA-N	1	0	189.302	3.351	10	30		AGEERO
C=CCCC[C@H]([NH2+]CCC)C(C)C	70594408	571676880	/nfs/dbraw/zinc/67/68/80/571676880.db2.gz	SQFJNNPFYZCOEN-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H](CC)[NH2+]CCC	70594451	571676887	/nfs/dbraw/zinc/67/68/87/571676887.db2.gz	NPBRVEHHMDKDGZ-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCC[C@@H](CCC)[NH2+]CC	70594485	571676895	/nfs/dbraw/zinc/67/68/95/571676895.db2.gz	STQHOXBKFCKZNK-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1ccsc1	70594142	571676937	/nfs/dbraw/zinc/67/69/37/571676937.db2.gz	QPWBMBDBTQFJME-SNVBAGLBSA-N	1	0	181.304	3.104	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1cccc(F)c1	70594058	571676946	/nfs/dbraw/zinc/67/69/46/571676946.db2.gz	NJDKYVFBPVRMBP-GFCCVEGCSA-N	1	0	193.265	3.182	10	30		AGEERO
C=CCC[C@H]([NH2+]C)c1ccc(F)cc1	70594049	571676950	/nfs/dbraw/zinc/67/69/50/571676950.db2.gz	AIOLDKAQZSXOAX-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CCCC[C@H]([NH3+])CCC(C)C	70594671	571676979	/nfs/dbraw/zinc/67/69/79/571676979.db2.gz	PPVKJPBYRWCROG-NSHDSACASA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1ccsc1	70594141	571677045	/nfs/dbraw/zinc/67/70/45/571677045.db2.gz	QPWBMBDBTQFJME-JTQLQIEISA-N	1	0	181.304	3.104	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)C1CCCC1	70594558	571677098	/nfs/dbraw/zinc/67/70/98/571677098.db2.gz	GPJKJBWHUZYRGR-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@H](C)[C@@H](C)C1	84837034	571679275	/nfs/dbraw/zinc/67/92/75/571679275.db2.gz	PLDGXVRHOWHFDD-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1cccs1	70594085	571677125	/nfs/dbraw/zinc/67/71/25/571677125.db2.gz	WBJRIWWOJCEDNG-VIFPVBQESA-N	1	0	181.304	3.104	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)[C@H]1CCC[C@@H](C)C1	70594794	571677171	/nfs/dbraw/zinc/67/71/71/571677171.db2.gz	RFKNDLJXXIAHDK-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1ccc(F)cc1	70594043	571677265	/nfs/dbraw/zinc/67/72/65/571677265.db2.gz	DMQFFYISXYAYJM-LBPRGKRZSA-N	1	0	193.265	3.182	10	30		AGEERO
C=CCCC[C@H]([NH2+]CCC)C1CC1	70594500	571677268	/nfs/dbraw/zinc/67/72/68/571677268.db2.gz	WELWJGZPSHNBCF-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H]([NH3+])C1CCCCC1	70594198	571677312	/nfs/dbraw/zinc/67/73/12/571677312.db2.gz	AWCIRAHSHMOABZ-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1cccc(F)c1	70594057	571677315	/nfs/dbraw/zinc/67/73/15/571677315.db2.gz	NJDKYVFBPVRMBP-LBPRGKRZSA-N	1	0	193.265	3.182	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)c1cccs1	70594090	571677380	/nfs/dbraw/zinc/67/73/80/571677380.db2.gz	VPRWVLWILGNFFF-SNVBAGLBSA-N	1	0	195.331	3.365	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1ccc(F)cc1	70594044	571677503	/nfs/dbraw/zinc/67/75/03/571677503.db2.gz	DMQFFYISXYAYJM-GFCCVEGCSA-N	1	0	193.265	3.182	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)c1cccs1	70594089	571677552	/nfs/dbraw/zinc/67/75/52/571677552.db2.gz	VPRWVLWILGNFFF-JTQLQIEISA-N	1	0	195.331	3.365	10	30		AGEERO
C=CCC[C@H]([NH2+]C)C1CCCCC1	70594470	571677596	/nfs/dbraw/zinc/67/75/96/571677596.db2.gz	FYBKJINVMLTLCY-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)[C@@H]1CCC[C@@H](C)C1	70594796	571677604	/nfs/dbraw/zinc/67/76/04/571677604.db2.gz	RFKNDLJXXIAHDK-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)C1CCC(C)CC1	70594816	571677616	/nfs/dbraw/zinc/67/76/16/571677616.db2.gz	JVTGHGXWZHRPCI-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)c1ccsc1	70594312	571677624	/nfs/dbraw/zinc/67/76/24/571677624.db2.gz	QXDUQCLNBCARAQ-NSHDSACASA-N	1	0	195.331	3.365	10	30		AGEERO
C=CCC[C@H]([NH2+]C)c1cccc(C)c1	70594437	571677627	/nfs/dbraw/zinc/67/76/27/571677627.db2.gz	NEONMUWNYCFIME-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CCC[C@@H]([NH2+]CCC)C(C)(C)C	70594519	571677671	/nfs/dbraw/zinc/67/76/71/571677671.db2.gz	CNDFVMNJMALITP-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]CCC)C(C)(C)C	70594518	571677720	/nfs/dbraw/zinc/67/77/20/571677720.db2.gz	CNDFVMNJMALITP-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H](CC)[NH2+]CCC	70594450	571677723	/nfs/dbraw/zinc/67/77/23/571677723.db2.gz	NPBRVEHHMDKDGZ-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC)c1ccsc1	70594313	571677727	/nfs/dbraw/zinc/67/77/27/571677727.db2.gz	QXDUQCLNBCARAQ-LLVKDONJSA-N	1	0	195.331	3.365	10	30		AGEERO
C=CCCC[C@H]([NH2+]CC)C(C)(C)C	70594512	571677755	/nfs/dbraw/zinc/67/77/55/571677755.db2.gz	DEGYTLLIZYHXAD-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1ccc(F)cc1	70594050	571677760	/nfs/dbraw/zinc/67/77/60/571677760.db2.gz	AIOLDKAQZSXOAX-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CCC[C@H]([NH2+]C)c1ccccc1C	70594427	571677762	/nfs/dbraw/zinc/67/77/62/571677762.db2.gz	KHUACOOPYNZHSL-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CCCC[C@@H]([NH2+]CC)C(C)(C)C	70594513	571677784	/nfs/dbraw/zinc/67/77/84/571677784.db2.gz	DEGYTLLIZYHXAD-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1cccs1	70594086	571677790	/nfs/dbraw/zinc/67/77/90/571677790.db2.gz	WBJRIWWOJCEDNG-SECBINFHSA-N	1	0	181.304	3.104	10	30		AGEERO
C=CCCC[C@H](CCC(C)C)[NH2+]C	70594674	571677798	/nfs/dbraw/zinc/67/77/98/571677798.db2.gz	UZRBGVSDIRVSER-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)c1ccsc1	70594307	571677866	/nfs/dbraw/zinc/67/78/66/571677866.db2.gz	YEVHXUANFAZDCI-LLVKDONJSA-N	1	0	195.331	3.365	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1ccccc1F	70595060	571677899	/nfs/dbraw/zinc/67/78/99/571677899.db2.gz	GGPCKHNLOOAJGZ-LBPRGKRZSA-N	1	0	193.265	3.182	10	30		AGEERO
C=CCCC[C@H](CCC)[NH2+]CC	70594484	571677987	/nfs/dbraw/zinc/67/79/87/571677987.db2.gz	STQHOXBKFCKZNK-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[C@H](CCC(C)C)[NH2+]CC	70594681	571678027	/nfs/dbraw/zinc/67/80/27/571678027.db2.gz	BKCRVKWXLCGZHY-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@@H](C)[C@@H](C)C1	84837033	571678187	/nfs/dbraw/zinc/67/81/87/571678187.db2.gz	PLDGXVRHOWHFDD-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@@H]1CCCC[C@@H]1[NH2+]C	70595604	571678512	/nfs/dbraw/zinc/67/85/12/571678512.db2.gz	JKLMDHQNYGIXPL-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H]1CCCC[C@H]1[NH2+]C	70595603	571678555	/nfs/dbraw/zinc/67/85/55/571678555.db2.gz	JKLMDHQNYGIXPL-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]([NH3+])CC(C)(C)C	70595187	571678692	/nfs/dbraw/zinc/67/86/92/571678692.db2.gz	AIXUHZJGKXGGPQ-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[C@H]1CCCCC[C@H]1[NH3+]	70595596	571678732	/nfs/dbraw/zinc/67/87/32/571678732.db2.gz	QXRIATWIPLDRMW-NWDGAFQWSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@@H]([NH2+]CCC)c1ccoc1	70595237	571678764	/nfs/dbraw/zinc/67/87/64/571678764.db2.gz	URSGFCMWELSSIS-GFCCVEGCSA-N	1	0	193.290	3.287	10	30		AGEERO
C=CCCC[C@H]([NH2+]CC)[C@@H](C)CC	70595159	571678804	/nfs/dbraw/zinc/67/88/04/571678804.db2.gz	IHKWPDSBBKXJLW-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H](CC(C)(C)C)[NH2+]C	70595190	571678824	/nfs/dbraw/zinc/67/88/24/571678824.db2.gz	WVSGAQZHPKTILA-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H]1CCC[C@H]1[NH2+]CC	70595633	571678888	/nfs/dbraw/zinc/67/88/88/571678888.db2.gz	WCGYKMSUHWUMIH-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H]([NH3+])CC(C)(C)C	70595186	571678960	/nfs/dbraw/zinc/67/89/60/571678960.db2.gz	AIXUHZJGKXGGPQ-SNVBAGLBSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[C@@H]1CCCCC[C@@H]1[NH3+]	70595593	571678977	/nfs/dbraw/zinc/67/89/77/571678977.db2.gz	QXRIATWIPLDRMW-NEPJUHHUSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@@H]1CCCC[C@@H]1[NH2+]CC	70595608	571678992	/nfs/dbraw/zinc/67/89/92/571678992.db2.gz	RRBMHQDSTSIDFP-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H]1CCCCC[C@H]1[NH2+]C	70595647	571679168	/nfs/dbraw/zinc/67/91/68/571679168.db2.gz	PUBPJHRMRYZZES-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]([NH2+]CC)c1ccoc1	70595230	571679327	/nfs/dbraw/zinc/67/93/27/571679327.db2.gz	QRAHVBNWASQRHE-LBPRGKRZSA-N	1	0	193.290	3.287	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1/C=C/CCCCC1	300798307	571679360	/nfs/dbraw/zinc/67/93/60/571679360.db2.gz	AENLMNFGYVMURZ-WAFBPQNNSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CCCC[C@H]1C[C@H](CC)CC[NH2+]1	70595775	571679377	/nfs/dbraw/zinc/67/93/77/571679377.db2.gz	OTJPCHAHSDJYAP-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]([NH2+]CCC)[C@@H](C)CC	70595168	571679401	/nfs/dbraw/zinc/67/94/01/571679401.db2.gz	BRYSWWKUBKSZEL-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]1CCCC[C@@H]1[NH2+]CC	70595606	571679420	/nfs/dbraw/zinc/67/94/20/571679420.db2.gz	RRBMHQDSTSIDFP-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H](CC(C)(C)C)[NH2+]C	70595191	571679425	/nfs/dbraw/zinc/67/94/25/571679425.db2.gz	WVSGAQZHPKTILA-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]1CCC[C@H]1[NH2+]CCC	70595637	571679476	/nfs/dbraw/zinc/67/94/76/571679476.db2.gz	GCTWHTFSFMIRQS-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]1C[C@@H](CC)CC[NH2+]1	70595776	571679518	/nfs/dbraw/zinc/67/95/18/571679518.db2.gz	OTJPCHAHSDJYAP-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H]1CCCCC[C@H]1[NH3+]	70595595	571679522	/nfs/dbraw/zinc/67/95/22/571679522.db2.gz	QXRIATWIPLDRMW-VXGBXAGGSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1ccccc1F	70595067	571679548	/nfs/dbraw/zinc/67/95/48/571679548.db2.gz	PRFIWWITYZARMX-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CCC[C@@H](CC(C)(C)C)[NH2+]CC	70595196	571679557	/nfs/dbraw/zinc/67/95/57/571679557.db2.gz	HHWKKYDYVKMQCS-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H]1CCC[C@@H]1[NH2+]CCC	70595640	571679620	/nfs/dbraw/zinc/67/96/20/571679620.db2.gz	GCTWHTFSFMIRQS-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]1CCC[C@@H]1[NH2+]CC	70595634	571679643	/nfs/dbraw/zinc/67/96/43/571679643.db2.gz	WCGYKMSUHWUMIH-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H]1CCC[C@H]1[NH2+]CC	70595635	571679648	/nfs/dbraw/zinc/67/96/48/571679648.db2.gz	WCGYKMSUHWUMIH-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H]([NH2+]CCC)[C@H](C)CC	70595171	571679653	/nfs/dbraw/zinc/67/96/53/571679653.db2.gz	BRYSWWKUBKSZEL-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H]([NH2+]CCC)[C@@H](C)CC	70595169	571679666	/nfs/dbraw/zinc/67/96/66/571679666.db2.gz	BRYSWWKUBKSZEL-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H]([NH2+]CC)[C@H](C)CC	70595158	571679702	/nfs/dbraw/zinc/67/97/02/571679702.db2.gz	IHKWPDSBBKXJLW-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]1CCCCC[C@H]1[NH2+]C	70595645	571679833	/nfs/dbraw/zinc/67/98/33/571679833.db2.gz	PUBPJHRMRYZZES-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H]1CCC[C@H]1[NH2+]CCC	70595639	571679865	/nfs/dbraw/zinc/67/98/65/571679865.db2.gz	GCTWHTFSFMIRQS-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H]([NH2+]CC)[C@@H](C)CC	70595157	571679972	/nfs/dbraw/zinc/67/99/72/571679972.db2.gz	IHKWPDSBBKXJLW-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH2+]CC)[C@H](C)CC	70595156	571680106	/nfs/dbraw/zinc/68/01/06/571680106.db2.gz	IHKWPDSBBKXJLW-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]CCC)[C@H](C)CC	70595170	571680291	/nfs/dbraw/zinc/68/02/91/571680291.db2.gz	BRYSWWKUBKSZEL-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H](CC(C)(C)C)[NH2+]CC	70595197	571680296	/nfs/dbraw/zinc/68/02/96/571680296.db2.gz	HHWKKYDYVKMQCS-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]1CCC[C@@H]1[NH2+]CC	70595636	571680309	/nfs/dbraw/zinc/68/03/09/571680309.db2.gz	WCGYKMSUHWUMIH-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]1CCCC[C@H]1[NH2+]CC	70595605	571680312	/nfs/dbraw/zinc/68/03/12/571680312.db2.gz	RRBMHQDSTSIDFP-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]1CCCC[C@@H]1[NH2+]C	70595602	571680323	/nfs/dbraw/zinc/68/03/23/571680323.db2.gz	JKLMDHQNYGIXPL-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]1CCC[C@@H]1[NH2+]CCC	70595638	571680334	/nfs/dbraw/zinc/68/03/34/571680334.db2.gz	GCTWHTFSFMIRQS-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]1CCCCC[C@@H]1[NH3+]	70595594	571680391	/nfs/dbraw/zinc/68/03/91/571680391.db2.gz	QXRIATWIPLDRMW-RYUDHWBXSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@@H]1C[C@H](CC)CC[NH2+]1	70595773	571680394	/nfs/dbraw/zinc/68/03/94/571680394.db2.gz	OTJPCHAHSDJYAP-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H]1C[C@@H](CC)CC[NH2+]1	70595774	571680413	/nfs/dbraw/zinc/68/04/13/571680413.db2.gz	OTJPCHAHSDJYAP-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]([NH2+]C)c1ccccc1F	70595066	571680438	/nfs/dbraw/zinc/68/04/38/571680438.db2.gz	PRFIWWITYZARMX-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CCCC[C@H]1CCCC[C@H]1[NH2+]C	70595601	571680444	/nfs/dbraw/zinc/68/04/44/571680444.db2.gz	JKLMDHQNYGIXPL-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]1CCCCC[C@@H]1[NH2+]C	70595646	571680527	/nfs/dbraw/zinc/68/05/27/571680527.db2.gz	PUBPJHRMRYZZES-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H]1CCCCC[C@@H]1[NH2+]C	70595648	571680597	/nfs/dbraw/zinc/68/05/97/571680597.db2.gz	PUBPJHRMRYZZES-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]([NH2+]CCC)c1ccoc1	70595236	571680606	/nfs/dbraw/zinc/68/06/06/571680606.db2.gz	URSGFCMWELSSIS-LBPRGKRZSA-N	1	0	193.290	3.287	10	30		AGEERO
C=CCC[C@@H]1CCCC[C@H]1[NH2+]CC	70595607	571680672	/nfs/dbraw/zinc/68/06/72/571680672.db2.gz	RRBMHQDSTSIDFP-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[C@H]1CC[C@@H]1C[NH2+]C	234402157	571684413	/nfs/dbraw/zinc/68/44/13/571684413.db2.gz	LHAQJKOKBFDEGY-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
CC(C)[C@H](C)[C@@H]([NH3+])CC#CC(C)(C)C	300759001	571688376	/nfs/dbraw/zinc/68/83/76/571688376.db2.gz	NHHJEYOUGXRPIT-RYUDHWBXSA-N	1	0	195.350	3.045	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@@H]1C[NH2+]C	234407042	571695997	/nfs/dbraw/zinc/69/59/97/571695997.db2.gz	LHAQJKOKBFDEGY-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
CCCCCCCC[C@H]([NH3+])CC	106565706	571705382	/nfs/dbraw/zinc/70/53/82/571705382.db2.gz	PBUBUUWVOLTZGM-LLVKDONJSA-N	1	0	171.328	3.474	10	30		AGEERO
CCCCCCCC[C@H](C)[NH2+]C	103295079	571705880	/nfs/dbraw/zinc/70/58/80/571705880.db2.gz	CMLKXJWAGCMBBR-NSHDSACASA-N	1	0	171.328	3.345	10	30		AGEERO
CCCCCCC[C@@H](C)[C@H](C)[NH3+]	103549438	571706056	/nfs/dbraw/zinc/70/60/56/571706056.db2.gz	UITVNRBCYQAPLC-MNOVXSKESA-N	1	0	171.328	3.330	10	30		AGEERO
CCCCCCC[C@@H]([NH3+])CCC	106565631	571706714	/nfs/dbraw/zinc/70/67/14/571706714.db2.gz	QPXKYHCFSQPEFS-NSHDSACASA-N	1	0	171.328	3.474	10	30		AGEERO
CCCCCCC[C@@H]([NH3+])C(C)C	106565752	571706921	/nfs/dbraw/zinc/70/69/21/571706921.db2.gz	MGHPEFXZXOXABM-LLVKDONJSA-N	1	0	171.328	3.330	10	30		AGEERO
CCCCCCC[C@@H](CC)[NH2+]C	103295589	571707062	/nfs/dbraw/zinc/70/70/62/571707062.db2.gz	WAUASWXWPRQMJC-LLVKDONJSA-N	1	0	171.328	3.345	10	30		AGEERO
CCCCCCC[C@H](C)[C@@H](C)[NH3+]	103549434	571707350	/nfs/dbraw/zinc/70/73/50/571707350.db2.gz	UITVNRBCYQAPLC-WDEREUQCSA-N	1	0	171.328	3.330	10	30		AGEERO
CCCCCCC[C@H](CC)[NH2+]C	103295592	571707965	/nfs/dbraw/zinc/70/79/65/571707965.db2.gz	WAUASWXWPRQMJC-NSHDSACASA-N	1	0	171.328	3.345	10	30		AGEERO
CCCCCCCC[C@@H]([NH3+])CC	106565707	571708830	/nfs/dbraw/zinc/70/88/30/571708830.db2.gz	PBUBUUWVOLTZGM-NSHDSACASA-N	1	0	171.328	3.474	10	30		AGEERO
CCCCCCC[C@@H](C)[C@@H](C)[NH3+]	103549432	571708906	/nfs/dbraw/zinc/70/89/06/571708906.db2.gz	UITVNRBCYQAPLC-GHMZBOCLSA-N	1	0	171.328	3.330	10	30		AGEERO
CCCCCCC[C@H]([NH3+])C(C)C	106565750	571709500	/nfs/dbraw/zinc/70/95/00/571709500.db2.gz	MGHPEFXZXOXABM-NSHDSACASA-N	1	0	171.328	3.330	10	30		AGEERO
C=C[C@H](C)[NH2+]CC[C@@H]1CCC[C@@H](C)C1	235252363	571712057	/nfs/dbraw/zinc/71/20/57/571712057.db2.gz	AMNBKJHBFWICNI-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])[C@H](C)c1ccccc1	235269636	571712933	/nfs/dbraw/zinc/71/29/33/571712933.db2.gz	OZXIXJOQQYCAMJ-DGCLKSJQSA-N	1	0	189.302	3.084	10	30		AGEERO
C=CCC[C@@H]([NH3+])[C@H](C)c1ccccc1	235270133	571715462	/nfs/dbraw/zinc/71/54/62/571715462.db2.gz	QSJHDEGMOMYOGR-DGCLKSJQSA-N	1	0	189.302	3.084	10	30		AGEERO
C=C(C)CC[NH2+]C[C@@H]1CCC[C@@H](C)C1	235270140	571717040	/nfs/dbraw/zinc/71/70/40/571717040.db2.gz	PCBDUMXOUQTKEI-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C[C@H](C)[NH2+]CC[C@H]1CCC[C@@H](C)C1	235280022	571717717	/nfs/dbraw/zinc/71/77/17/571717717.db2.gz	AMNBKJHBFWICNI-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@@H](C)[NH2+]CC(=C)CC	398095030	571720991	/nfs/dbraw/zinc/72/09/91/571720991.db2.gz	QLWWKOLKLHQKEE-GFCCVEGCSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCC[C@H](C)[NH2+]CC(C)(C)C	398090713	571722041	/nfs/dbraw/zinc/72/20/41/571722041.db2.gz	XVESTWGNCLFXPC-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H]([NH3+])[C@H](C)CCCC	301000688	571722478	/nfs/dbraw/zinc/72/24/78/571722478.db2.gz	XXIGXTUCUWAESP-GHMZBOCLSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCC[C@H]([NH3+])[C@H](C)CCCC	301000689	571723199	/nfs/dbraw/zinc/72/31/99/571723199.db2.gz	XXIGXTUCUWAESP-MNOVXSKESA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCC[C@H]([NH3+])[C@@H](C)CCCC	301000691	571723414	/nfs/dbraw/zinc/72/34/14/571723414.db2.gz	XXIGXTUCUWAESP-QWRGUYRKSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCC[C@@H]([NH3+])[C@@H](C)CCCC	301000692	571724136	/nfs/dbraw/zinc/72/41/36/571724136.db2.gz	XXIGXTUCUWAESP-WDEREUQCSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCCCC[NH2+]C(C)(C)C	70652324	571725857	/nfs/dbraw/zinc/72/58/57/571725857.db2.gz	GAVNPXBWSHHGLY-UHFFFAOYSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)CC1(C[NH3+])CCC(C)CC1	388672574	571728745	/nfs/dbraw/zinc/72/87/45/571728745.db2.gz	DNXJPSQXVWSLRD-UHFFFAOYSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C(C)CC[NH2+]C(C)(C)C1CCC1	398154509	571732642	/nfs/dbraw/zinc/73/26/42/571732642.db2.gz	FXHCHIBHSKCWOF-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)CC[NH2+]C[C@H]1CCC[C@@H](C)C1	235295275	571736066	/nfs/dbraw/zinc/73/60/66/571736066.db2.gz	PCBDUMXOUQTKEI-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C[C@H]([NH3+])CCCCCC(=C)CC	214276492	571742339	/nfs/dbraw/zinc/74/23/39/571742339.db2.gz	NIYIEUOFROSLDI-LBPRGKRZSA-N	1	0	181.323	3.416	10	30		AGEERO
CC(C)C/C=[NH+]/CCC(C)C	31375283	571743226	/nfs/dbraw/zinc/74/32/26/571743226.db2.gz	WYNULUURQZBBSK-YRNVUSSQSA-N	1	0	155.285	3.149	10	30	endogenous,in-man	AGEERO
C=CCCC[C@@H]1CCCC[C@@H]([NH3+])C1	70742349	571747233	/nfs/dbraw/zinc/74/72/33/571747233.db2.gz	LARKGDXKMZLQNS-VXGBXAGGSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCCCCC[NH2+]C(C)C	70743517	571748182	/nfs/dbraw/zinc/74/81/82/571748182.db2.gz	FNXUCBPTQJDYAV-UHFFFAOYSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC[NH2+][C@H]1C[C@H](C(=C)C)CC=C1C	214294853	571744754	/nfs/dbraw/zinc/74/47/54/571744754.db2.gz	FJANDCLWEJUUHV-OLZOCXBDSA-N	1	0	191.318	3.063	10	30		AGEERO
C=CC[NH2+][C@@H]1C[C@H](C(=C)C)CC=C1C	214294914	571744954	/nfs/dbraw/zinc/74/49/54/571744954.db2.gz	FJANDCLWEJUUHV-CHWSQXEVSA-N	1	0	191.318	3.063	10	30		AGEERO
C=CCCC[C@H]1CCCC[C@@H]([NH3+])C1	70742351	571747142	/nfs/dbraw/zinc/74/71/42/571747142.db2.gz	LARKGDXKMZLQNS-NWDGAFQWSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@@H]1CCCC[C@H]([NH3+])C1	70742345	571747344	/nfs/dbraw/zinc/74/73/44/571747344.db2.gz	LARKGDXKMZLQNS-NEPJUHHUSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])CCC	70741942	571748226	/nfs/dbraw/zinc/74/82/26/571748226.db2.gz	OPZYFKHGGHQZKJ-LLVKDONJSA-N	1	0	169.312	3.250	10	30		AGEERO
C=CCCCC[C@H]([NH3+])C(C)(C)C	70743304	571747457	/nfs/dbraw/zinc/74/74/57/571747457.db2.gz	UBUORYFTWKSNDD-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])C(C)(C)C	70743319	571747463	/nfs/dbraw/zinc/74/74/63/571747463.db2.gz	HSBPPVGCLLVOPS-LLVKDONJSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCCCCC[NH2+]CCC	70743476	571747968	/nfs/dbraw/zinc/74/79/68/571747968.db2.gz	OYMILARYVWSCTE-UHFFFAOYSA-N	1	0	169.312	3.123	10	30		AGEERO
C=CCCCCC[C@@H](CC=C)[NH2+]C	234422095	571748062	/nfs/dbraw/zinc/74/80/62/571748062.db2.gz	CEESOKDNBOAVSB-GFCCVEGCSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])C(C)C	70743057	571748171	/nfs/dbraw/zinc/74/81/71/571748171.db2.gz	NKMMZOKBAVPAJQ-LLVKDONJSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])C(C)C	70743058	571748160	/nfs/dbraw/zinc/74/81/60/571748160.db2.gz	NKMMZOKBAVPAJQ-NSHDSACASA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCCC[C@@H]([NH3+])C(C)(C)C	70743303	571748280	/nfs/dbraw/zinc/74/82/80/571748280.db2.gz	UBUORYFTWKSNDD-SNVBAGLBSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCCC[C@@H]([NH3+])c1ccccc1	70743368	571748541	/nfs/dbraw/zinc/74/85/41/571748541.db2.gz	NZXNIFAABAWNTC-CYBMUJFWSA-N	1	0	189.302	3.433	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])CCC	70741941	571748564	/nfs/dbraw/zinc/74/85/64/571748564.db2.gz	OPZYFKHGGHQZKJ-NSHDSACASA-N	1	0	169.312	3.250	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])C(C)(C)C	70743320	571748567	/nfs/dbraw/zinc/74/85/67/571748567.db2.gz	HSBPPVGCLLVOPS-NSHDSACASA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCCC[C@H]([NH3+])c1ccccc1	70743367	571748721	/nfs/dbraw/zinc/74/87/21/571748721.db2.gz	NZXNIFAABAWNTC-ZDUSSCGKSA-N	1	0	189.302	3.433	10	30		AGEERO
C=CCCC[C@H]1CCCC[C@H]([NH3+])C1	70742348	571749107	/nfs/dbraw/zinc/74/91/07/571749107.db2.gz	LARKGDXKMZLQNS-RYUDHWBXSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@@H]1CCC[C@@H]([NH2+]C)C1	70744999	571749501	/nfs/dbraw/zinc/74/95/01/571749501.db2.gz	IQPMXLWLENTFPM-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
CC#CCCC[C@@H](CCC)[NH2+]CCC	70745728	571749884	/nfs/dbraw/zinc/74/98/84/571749884.db2.gz	HICRWYWVWUFIJF-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CCC[C@@H]1CCCC[C@@H]([NH2+]C)C1	70745789	571749572	/nfs/dbraw/zinc/74/95/72/571749572.db2.gz	DDONNZUQEGJDSL-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]([NH2+]CC)C1	70746101	571749618	/nfs/dbraw/zinc/74/96/18/571749618.db2.gz	QZUHLCOCKQKZRV-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H]1CC[C@@H]([NH2+]CC)C1	70744523	571749653	/nfs/dbraw/zinc/74/96/53/571749653.db2.gz	AAUNWOMOROVDRR-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H]1CCC[C@@H]([NH2+]CCC)C1	70745410	571749795	/nfs/dbraw/zinc/74/97/95/571749795.db2.gz	YQWCLMPMWXUFRR-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]1CCCC[C@H]([NH2+]C)C1	70745787	571749818	/nfs/dbraw/zinc/74/98/18/571749818.db2.gz	DDONNZUQEGJDSL-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H]1CCC[C@H]([NH2+]C)C1	70745000	571749890	/nfs/dbraw/zinc/74/98/90/571749890.db2.gz	IQPMXLWLENTFPM-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCC[C@@H]([NH2+]CC)C(C)C	70746971	571749900	/nfs/dbraw/zinc/74/99/00/571749900.db2.gz	RNPKJZFQCFIXQT-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H]1CC[C@@H]([NH2+]CCC)C1	70744699	571749905	/nfs/dbraw/zinc/74/99/05/571749905.db2.gz	YEGQWRXBLYXRLX-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]1CCC[C@@H]([NH2+]C)C1	70744997	571749930	/nfs/dbraw/zinc/74/99/30/571749930.db2.gz	IQPMXLWLENTFPM-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCC[C@H]([NH2+]CC)C(C)C	70746969	571749946	/nfs/dbraw/zinc/74/99/46/571749946.db2.gz	RNPKJZFQCFIXQT-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H]1CCC[C@H]([NH2+]C)C1	70744998	571749978	/nfs/dbraw/zinc/74/99/78/571749978.db2.gz	IQPMXLWLENTFPM-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]1CCCC[C@@H]([NH2+]C)C1	70745786	571749995	/nfs/dbraw/zinc/74/99/95/571749995.db2.gz	DDONNZUQEGJDSL-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C#CCCCC[C@H]([NH2+]CC)C(C)(C)C	70747382	571749997	/nfs/dbraw/zinc/74/99/97/571749997.db2.gz	PLYRYUPDNGSRAC-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCC[C@H](CCC)[NH2+]C	70745532	571750039	/nfs/dbraw/zinc/75/00/39/571750039.db2.gz	BQDDHSZJCOQJAT-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCCC[C@@H]([NH2+]C)C(C)(C)C	70747336	571751151	/nfs/dbraw/zinc/75/11/51/571751151.db2.gz	USHJZRAHCLJTFC-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]1CC[C@H]([NH2+]CC)C1	70744524	571750056	/nfs/dbraw/zinc/75/00/56/571750056.db2.gz	AAUNWOMOROVDRR-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[C@@H](CC)[NH2+]C	70746429	571750105	/nfs/dbraw/zinc/75/01/05/571750105.db2.gz	YIWKJCBOLLTUNL-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[C@@H]1CCC[C@@H]([NH2+]CC)C1	70745179	571750138	/nfs/dbraw/zinc/75/01/38/571750138.db2.gz	XEVCTAPKUBHAGU-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]1CC[C@@H]([NH2+]CC)C1	70744521	571750182	/nfs/dbraw/zinc/75/01/82/571750182.db2.gz	AAUNWOMOROVDRR-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
CC#CCCC[C@H]([NH2+]CCC)C(C)C	70747063	571750258	/nfs/dbraw/zinc/75/02/58/571750258.db2.gz	WTHGCBUAOQYRII-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCC[C@@H]1CC[C@H]([NH2+]CCC)C1	70744700	571751163	/nfs/dbraw/zinc/75/11/63/571751163.db2.gz	YEGQWRXBLYXRLX-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]1CCC[C@H]([NH2+]CC)C1	70745178	571750273	/nfs/dbraw/zinc/75/02/73/571750273.db2.gz	XEVCTAPKUBHAGU-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C#CCCC[C@@H]([NH2+]CCC)C(C)(C)C	70747442	571750353	/nfs/dbraw/zinc/75/03/53/571750353.db2.gz	BQIYSWLJKBAMBH-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCCC[C@H](CC)[NH2+]C	70746427	571750422	/nfs/dbraw/zinc/75/04/22/571750422.db2.gz	YIWKJCBOLLTUNL-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCCC[C@H]([NH2+]CC)C1CC1	70747232	571750427	/nfs/dbraw/zinc/75/04/27/571750427.db2.gz	KTBCYRIIVPNHTD-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[C@H]([NH2+]C)C1CC1	70747169	571750431	/nfs/dbraw/zinc/75/04/31/571750431.db2.gz	JQPUKCCMOSJDEG-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C#CCCCC[C@H](CCC)[NH2+]CCC	70745684	571750478	/nfs/dbraw/zinc/75/04/78/571750478.db2.gz	BSSCIORBCWFESV-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CCCC[C@H]1CC[C@H]([NH2+]CC)C1	70744522	571750494	/nfs/dbraw/zinc/75/04/94/571750494.db2.gz	AAUNWOMOROVDRR-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[C@@H]([NH2+]C)C1CC1	70747170	571750503	/nfs/dbraw/zinc/75/05/03/571750503.db2.gz	JQPUKCCMOSJDEG-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H]1CCCC[C@@H]([NH2+]CC)C1	70746099	571750553	/nfs/dbraw/zinc/75/05/53/571750553.db2.gz	QZUHLCOCKQKZRV-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCC[C@@H](CCC)[NH2+]C	70745533	571750567	/nfs/dbraw/zinc/75/05/67/571750567.db2.gz	BQDDHSZJCOQJAT-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCCC[C@@H](CC)[NH2+]CC	70746615	571750620	/nfs/dbraw/zinc/75/06/20/571750620.db2.gz	QCABDVMCPFVUIS-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[C@H]1CCC[C@@H]([NH2+]CC)C1	70745177	571750684	/nfs/dbraw/zinc/75/06/84/571750684.db2.gz	XEVCTAPKUBHAGU-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]([NH2+]CCC)C1	70745417	571750813	/nfs/dbraw/zinc/75/08/13/571750813.db2.gz	YQWCLMPMWXUFRR-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]([NH2+]CCC)C1	70745414	571750753	/nfs/dbraw/zinc/75/07/53/571750753.db2.gz	YQWCLMPMWXUFRR-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
CC#CCCC[C@@H]([NH2+]CC)C(C)(C)C	70747415	571750900	/nfs/dbraw/zinc/75/09/00/571750900.db2.gz	XFDOMYPGIXWOKQ-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCC[C@@H]([NH2+]CC)C1CC1	70747234	571750920	/nfs/dbraw/zinc/75/09/20/571750920.db2.gz	KTBCYRIIVPNHTD-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCC[C@H]([NH2+]C)C(C)(C)C	70747337	571751064	/nfs/dbraw/zinc/75/10/64/571751064.db2.gz	USHJZRAHCLJTFC-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]([NH2+]CC)C1	70746103	571751071	/nfs/dbraw/zinc/75/10/71/571751071.db2.gz	QZUHLCOCKQKZRV-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
CC#CCCC[C@H](CCC)[NH2+]CCC	70745727	571751086	/nfs/dbraw/zinc/75/10/86/571751086.db2.gz	HICRWYWVWUFIJF-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CC[C@H]1CCC[C@H]([NH2+]CCC)C1	70745412	571751118	/nfs/dbraw/zinc/75/11/18/571751118.db2.gz	YQWCLMPMWXUFRR-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
CC#CCCC[C@H]([NH2+]CC)C(C)(C)C	70747414	571751016	/nfs/dbraw/zinc/75/10/16/571751016.db2.gz	XFDOMYPGIXWOKQ-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]([NH2+]CC)C1	70746100	571751177	/nfs/dbraw/zinc/75/11/77/571751177.db2.gz	QZUHLCOCKQKZRV-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C#CCCCC[C@H]([NH2+]CCC)C(C)C	70747020	571751179	/nfs/dbraw/zinc/75/11/79/571751179.db2.gz	VKMCMSCLILJUAN-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCCCC[C@@H](CCC)[NH2+]CCC	70745685	571751183	/nfs/dbraw/zinc/75/11/83/571751183.db2.gz	BSSCIORBCWFESV-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
CC#CCCC[C@@H]([NH2+]CCC)C(C)C	70747064	571751190	/nfs/dbraw/zinc/75/11/90/571751190.db2.gz	WTHGCBUAOQYRII-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCC[C@H]1CC[C@H]([NH2+]CCC)C1	70744698	571751196	/nfs/dbraw/zinc/75/11/96/571751196.db2.gz	YEGQWRXBLYXRLX-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[C@H]([NH2+]C)C(C)C	70746898	571751211	/nfs/dbraw/zinc/75/12/11/571751211.db2.gz	VDWKUKHJLDWHNQ-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C#CCCCC[C@@H]([NH2+]CC)C(C)(C)C	70747384	571751237	/nfs/dbraw/zinc/75/12/37/571751237.db2.gz	PLYRYUPDNGSRAC-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCC[C@H]1CC[C@@H]([NH2+]CCC)C1	70744697	571751243	/nfs/dbraw/zinc/75/12/43/571751243.db2.gz	YEGQWRXBLYXRLX-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H]1CCCC[C@H]([NH2+]C)C1	70745791	571751247	/nfs/dbraw/zinc/75/12/47/571751247.db2.gz	DDONNZUQEGJDSL-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C#CCCC[C@H]([NH2+]CCC)C(C)(C)C	70747441	571751278	/nfs/dbraw/zinc/75/12/78/571751278.db2.gz	BQIYSWLJKBAMBH-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCCCC[C@@H]([NH2+]CCC)C(C)C	70747021	571751317	/nfs/dbraw/zinc/75/13/17/571751317.db2.gz	VKMCMSCLILJUAN-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCC[C@H](CC)[NH2+]CC	70746613	571751376	/nfs/dbraw/zinc/75/13/76/571751376.db2.gz	QCABDVMCPFVUIS-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[C@@H]1CCC[C@H]([NH2+]CC)C1	70745180	571751389	/nfs/dbraw/zinc/75/13/89/571751389.db2.gz	XEVCTAPKUBHAGU-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
CC(C)[C@@H](C)[C@H]([NH3+])CC#CC(C)(C)C	300759003	571756975	/nfs/dbraw/zinc/75/69/75/571756975.db2.gz	NHHJEYOUGXRPIT-VXGBXAGGSA-N	1	0	195.350	3.045	10	30		AGEERO
C=CC[C@@H]([NH2+]C)C1=CCCCCC1	234446685	571762526	/nfs/dbraw/zinc/76/25/26/571762526.db2.gz	LAXBOKPEQLQPEQ-GFCCVEGCSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CC[C@@H]([NH2+]C)C1=CCCCCCC1	234446716	571763334	/nfs/dbraw/zinc/76/33/34/571763334.db2.gz	VPYUJWNRUYRSPB-CYBMUJFWSA-N	1	0	193.334	3.431	10	30		AGEERO
C=C(C[NH+](CC)CC)c1ccccc1	113242262	571765961	/nfs/dbraw/zinc/76/59/61/571765961.db2.gz	APBYIIKZLQOKFN-UHFFFAOYSA-N	1	0	189.302	3.042	10	30		AGEERO
C=CCCCCC[C@H](CC=C)[NH2+]C	234446938	571767084	/nfs/dbraw/zinc/76/70/84/571767084.db2.gz	CEESOKDNBOAVSB-LBPRGKRZSA-N	1	0	181.323	3.287	10	30		AGEERO
CC(C)[C@H](C)[C@H]([NH3+])CC#CC(C)(C)C	300758999	571769979	/nfs/dbraw/zinc/76/99/79/571769979.db2.gz	NHHJEYOUGXRPIT-NWDGAFQWSA-N	1	0	195.350	3.045	10	30		AGEERO
C#CC[C@H](CC)[NH2+]CCCCCC=C	233878160	571771204	/nfs/dbraw/zinc/77/12/04/571771204.db2.gz	FKWCDFXXXSMRTR-ZDUSSCGKSA-N	1	0	193.334	3.124	10	30		AGEERO
C#CC[C@@H](CC)[NH2+]C[C@@H](C)CC(C)C	301004722	571772439	/nfs/dbraw/zinc/77/24/39/571772439.db2.gz	XQYGKYDIKPJUMX-QWHCGFSZSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC[C@@H]([NH2+]C)C1(C)CCCCC1	234446594	571773276	/nfs/dbraw/zinc/77/32/76/571773276.db2.gz	ZQMZMBIIKMBLGR-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C#CC[C@H](CC)[NH2+]C[C@H](C)CC(C)C	301004721	571773947	/nfs/dbraw/zinc/77/39/47/571773947.db2.gz	XQYGKYDIKPJUMX-OLZOCXBDSA-N	1	0	195.350	3.060	10	30		AGEERO
C#CC[C@@H](CC)[NH2+]C[C@H](C)CC(C)C	301004329	571775197	/nfs/dbraw/zinc/77/51/97/571775197.db2.gz	XQYGKYDIKPJUMX-CHWSQXEVSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CCCCCC[C@H]([NH2+]C)[C@@H]1C[C@@H]1C	234430263	571776765	/nfs/dbraw/zinc/77/67/65/571776765.db2.gz	WTDRKAWHPIHGSN-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCCC[C@H]([NH2+]C)[C@H]1C[C@@H]1C	234432891	571777090	/nfs/dbraw/zinc/77/70/90/571777090.db2.gz	WTDRKAWHPIHGSN-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]([NH2+]C)c1c(C)cccc1C	234447923	571777627	/nfs/dbraw/zinc/77/76/27/571777627.db2.gz	UDCBULUEVVNNEX-GFCCVEGCSA-N	1	0	189.302	3.140	10	30		AGEERO
C=CCCCCC/C=C/CC[NH2+]C	234355277	571779057	/nfs/dbraw/zinc/77/90/57/571779057.db2.gz	WKIQMUMWDJEHQI-MDZDMXLPSA-N	1	0	181.323	3.289	10	30		AGEERO
C#CC[C@@H]([NH2+]CCC)[C@@H](C)CCCC	301007062	571779490	/nfs/dbraw/zinc/77/94/90/571779490.db2.gz	ZAXKDFGEFUEIOH-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CC[C@H]([NH2+]CCC)[C@@H](C)CCCC	301007063	571780830	/nfs/dbraw/zinc/78/08/30/571780830.db2.gz	ZAXKDFGEFUEIOH-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
C#CC[C@@H]([NH2+]CCC)[C@H](C)CCCC	301007060	571781370	/nfs/dbraw/zinc/78/13/70/571781370.db2.gz	ZAXKDFGEFUEIOH-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CC[C@H]([NH2+]CCC)[C@H](C)CCCC	301007061	571781435	/nfs/dbraw/zinc/78/14/35/571781435.db2.gz	ZAXKDFGEFUEIOH-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C(=[NH+]\Cc1ccccc1)\C1CCCC1	100211819	571783178	/nfs/dbraw/zinc/78/31/78/571783178.db2.gz	SEIVOLRSDUNKCH-KAMYIIQDSA-N	1	0	187.286	3.448	10	30		AGEERO
C=CC[C@H](C[C@H](C)CC(C)C)[NH2+]C	301013741	571784464	/nfs/dbraw/zinc/78/44/64/571784464.db2.gz	ZEVWNPCOCUZRJS-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H](C[C@@H](C)CC(C)C)[NH2+]C	301013740	571785999	/nfs/dbraw/zinc/78/59/99/571785999.db2.gz	ZEVWNPCOCUZRJS-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C[C@@H](C)CC(C)C)[NH2+]C	301013739	571787300	/nfs/dbraw/zinc/78/73/00/571787300.db2.gz	ZEVWNPCOCUZRJS-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C[C@](C)(C[NH3+])C[C@H](C)CC(C)C	301016307	571787695	/nfs/dbraw/zinc/78/76/95/571787695.db2.gz	ZRHNBSNOWMGMSR-NEPJUHHUSA-N	1	0	183.339	3.210	10	30		AGEERO
C=C[C@](C)(C[NH3+])C[C@@H](C)CC(C)C	301016311	571787923	/nfs/dbraw/zinc/78/79/23/571787923.db2.gz	ZRHNBSNOWMGMSR-RYUDHWBXSA-N	1	0	183.339	3.210	10	30		AGEERO
C=C[C@@](C)(C[NH3+])C[C@H](C)CC(C)C	301016312	571789043	/nfs/dbraw/zinc/78/90/43/571789043.db2.gz	ZRHNBSNOWMGMSR-VXGBXAGGSA-N	1	0	183.339	3.210	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@H](C)c1ccccc1	235349850	571789192	/nfs/dbraw/zinc/78/91/92/571789192.db2.gz	OZXIXJOQQYCAMJ-YPMHNXCESA-N	1	0	189.302	3.084	10	30		AGEERO
C=C[C@@](C)(C[NH3+])C[C@@H](C)CC(C)C	301016309	571789781	/nfs/dbraw/zinc/78/97/81/571789781.db2.gz	ZRHNBSNOWMGMSR-NWDGAFQWSA-N	1	0	183.339	3.210	10	30		AGEERO
CCCC[N@H+](C[C@@H](C)C#N)[C@H](C)CC	249772377	571792019	/nfs/dbraw/zinc/79/20/19/571792019.db2.gz	BMQYIKZCIQMGAH-NWDGAFQWSA-N	1	0	196.338	3.047	10	30		AGEERO
C=CCCCCC[C@H](C)CC[NH2+]C	234366007	571792126	/nfs/dbraw/zinc/79/21/26/571792126.db2.gz	WNENWFIIRATPMB-LBPRGKRZSA-N	1	0	183.339	3.369	10	30		AGEERO
CCCC[N@H+]([C@H](C)CC)[C@H](C)CC#N	249862281	571792769	/nfs/dbraw/zinc/79/27/69/571792769.db2.gz	WMKNLRDFDXRMKD-VXGBXAGGSA-N	1	0	196.338	3.189	10	30		AGEERO
C=CCCCCC[C@H]1CC[C@H]1C[NH2+]C	234366324	571793584	/nfs/dbraw/zinc/79/35/84/571793584.db2.gz	LHAQJKOKBFDEGY-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@H]1C[NH2+]C	234371990	571793690	/nfs/dbraw/zinc/79/36/90/571793690.db2.gz	LHAQJKOKBFDEGY-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
CCCC[N@H+]([C@@H](C)CC)[C@H](C)CC#N	249862278	571795759	/nfs/dbraw/zinc/79/57/59/571795759.db2.gz	WMKNLRDFDXRMKD-NWDGAFQWSA-N	1	0	196.338	3.189	10	30		AGEERO
CCCC[N@H+](C[C@H](C)C#N)[C@H](C)CC	249772384	571796606	/nfs/dbraw/zinc/79/66/06/571796606.db2.gz	BMQYIKZCIQMGAH-VXGBXAGGSA-N	1	0	196.338	3.047	10	30		AGEERO
C=CCC[C@H]([NH3+])[C@H](C)c1ccccc1	235350213	571796795	/nfs/dbraw/zinc/79/67/95/571796795.db2.gz	QSJHDEGMOMYOGR-YPMHNXCESA-N	1	0	189.302	3.084	10	30		AGEERO
C=CCCCCC[C@@]1(C)CCC[NH2+]1	235745535	571806540	/nfs/dbraw/zinc/80/65/40/571806540.db2.gz	KNKPQBGAXQMKRG-LBPRGKRZSA-N	1	0	181.323	3.265	10	30		AGEERO
CC[C@H](CC#N)[N@H+](C)[C@H](C)C(C)(C)C	251393238	571813789	/nfs/dbraw/zinc/81/37/89/571813789.db2.gz	XDHLZXVQTJZMNE-GHMZBOCLSA-N	1	0	196.338	3.045	10	30		AGEERO
CC[C@H](CC#N)[N@H+](C)[C@H](C)CC(C)C	251338949	571814572	/nfs/dbraw/zinc/81/45/72/571814572.db2.gz	JZIOQEMQHMDGJY-VXGBXAGGSA-N	1	0	196.338	3.045	10	30		AGEERO
CC[C@@H](CC#N)[N@H+](C)[C@H](C)C(C)(C)C	251393240	571815918	/nfs/dbraw/zinc/81/59/18/571815918.db2.gz	XDHLZXVQTJZMNE-MNOVXSKESA-N	1	0	196.338	3.045	10	30		AGEERO
CC[C@@H](CC#N)[N@H+](C)[C@H](C)CC(C)C	251338945	571817592	/nfs/dbraw/zinc/81/75/92/571817592.db2.gz	JZIOQEMQHMDGJY-NEPJUHHUSA-N	1	0	196.338	3.045	10	30		AGEERO
C=CCC[C@H]([NH2+]CCC)C1CCC1	84888220	571839760	/nfs/dbraw/zinc/83/97/60/571839760.db2.gz	LNKKPMJYNYAIRJ-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H]([NH2+]C)C1(C)CCCCC1	234440058	571839220	/nfs/dbraw/zinc/83/92/20/571839220.db2.gz	ZQMZMBIIKMBLGR-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H]([NH2+]C)C1=CCCCCC1	234440149	571841376	/nfs/dbraw/zinc/84/13/76/571841376.db2.gz	LAXBOKPEQLQPEQ-LBPRGKRZSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CC[C@H]([NH2+]C)C1=CCCCCCC1	234440182	571841662	/nfs/dbraw/zinc/84/16/62/571841662.db2.gz	VPYUJWNRUYRSPB-ZDUSSCGKSA-N	1	0	193.334	3.431	10	30		AGEERO
CCCCC[C@@H]([NH3+])CC#CC(C)(C)C	300718490	571849192	/nfs/dbraw/zinc/84/91/92/571849192.db2.gz	AJJHVCFDKSWVEG-GFCCVEGCSA-N	1	0	195.350	3.334	10	30		AGEERO
CC(C)C/[NH+]=C/C=C/c1ccccc1	5632773	571845511	/nfs/dbraw/zinc/84/55/11/571845511.db2.gz	XZONLXGUMHTSSB-UYQSWCAZSA-N	1	0	187.286	3.427	10	30		AGEERO
CC[NH2+][C@H](C)CCCC#CC(C)(C)C	300718303	571847408	/nfs/dbraw/zinc/84/74/08/571847408.db2.gz	AFKQGUVRMCPTRM-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H](C)[NH2+]CCC1CCCC1	300718577	571848117	/nfs/dbraw/zinc/84/81/17/571848117.db2.gz	ALTDNOAQLBEXCD-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
CCCCC[C@H]([NH3+])CC#CC(C)(C)C	300718491	571848330	/nfs/dbraw/zinc/84/83/30/571848330.db2.gz	AJJHVCFDKSWVEG-LBPRGKRZSA-N	1	0	195.350	3.334	10	30		AGEERO
CC[NH2+][C@@H](C)CCCC#CC(C)(C)C	300718304	571848698	/nfs/dbraw/zinc/84/86/98/571848698.db2.gz	AFKQGUVRMCPTRM-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@@H](C)[NH2+]CCC1CCCC1	300718575	571849568	/nfs/dbraw/zinc/84/95/68/571849568.db2.gz	ALTDNOAQLBEXCD-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@@](C)(CCC1CCCC1)C[NH2+]C	300720105	571852358	/nfs/dbraw/zinc/85/23/58/571852358.db2.gz	BFNDFVXLASVHCV-ZDUSSCGKSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C[C@@](C)(C[NH3+])CCC1CCCC1	300719751	571852908	/nfs/dbraw/zinc/85/29/08/571852908.db2.gz	BCHUIFVEGLANSU-GFCCVEGCSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C[C@](C)(CCC1CCCC1)C[NH2+]C	300720103	571853505	/nfs/dbraw/zinc/85/35/05/571853505.db2.gz	BFNDFVXLASVHCV-CYBMUJFWSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C[C@](C)(C[NH3+])CCC1CCCC1	300719752	571853929	/nfs/dbraw/zinc/85/39/29/571853929.db2.gz	BCHUIFVEGLANSU-LBPRGKRZSA-N	1	0	181.323	3.108	10	30		AGEERO
CCC(C)(CC)[NH2+]CC#CC(C)(C)C	300722586	571854446	/nfs/dbraw/zinc/85/44/46/571854446.db2.gz	CCYGLPKVSPMLTP-UHFFFAOYSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C[C@@](C)(C[NH3+])CCC1CCCCC1	300721807	571854481	/nfs/dbraw/zinc/85/44/81/571854481.db2.gz	BWRFIGCBBDDHBX-CYBMUJFWSA-N	1	0	195.350	3.498	10	30		AGEERO
CCC[C@H](CC)[NH2+]CC#CC(C)(C)C	300722619	571854666	/nfs/dbraw/zinc/85/46/66/571854666.db2.gz	CEQVGJOMZUVYJS-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
CCC[C@@H](CC)[NH2+]CC#CC(C)(C)C	300722618	571854782	/nfs/dbraw/zinc/85/47/82/571854782.db2.gz	CEQVGJOMZUVYJS-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
CCC[NH2+]CCCCC#CC(C)(C)C	300721341	571856239	/nfs/dbraw/zinc/85/62/39/571856239.db2.gz	BTSAKWRIFYROCM-UHFFFAOYSA-N	1	0	195.350	3.206	10	30		AGEERO
C=C[C@](C)(C[NH3+])CCC1CCCCC1	300721810	571856251	/nfs/dbraw/zinc/85/62/51/571856251.db2.gz	BWRFIGCBBDDHBX-ZDUSSCGKSA-N	1	0	195.350	3.498	10	30		AGEERO
CCC[C@@H]([NH3+])CCCC#CC(C)(C)C	300727188	571857706	/nfs/dbraw/zinc/85/77/06/571857706.db2.gz	DMFJOFUNHGHBNW-GFCCVEGCSA-N	1	0	195.350	3.334	10	30		AGEERO
C[NH2+][C@H](C)C[C@H](C)CC#CC(C)(C)C	300726713	571860583	/nfs/dbraw/zinc/86/05/83/571860583.db2.gz	DJONZCMIMKFKLF-VXGBXAGGSA-N	1	0	195.350	3.060	10	30		AGEERO
Fc1cccc(/C=N/C2CCCC2)c1	687805970	571860813	/nfs/dbraw/zinc/86/08/13/571860813.db2.gz	BCUZMWJJINSZML-NTEUORMPSA-N	1	0	191.249	3.187	10	30		AGEERO
CC(C)(C)C#CC[NH2+]CCC(C)(C)C	300725854	571860898	/nfs/dbraw/zinc/86/08/98/571860898.db2.gz	DCCZFUHDXNXZEB-UHFFFAOYSA-N	1	0	195.350	3.062	10	30		AGEERO
CC[NH2+][C@@H](CC#CC(C)(C)C)C(C)C	300729263	571860932	/nfs/dbraw/zinc/86/09/32/571860932.db2.gz	FCGDZEBZKHRIFV-LBPRGKRZSA-N	1	0	195.350	3.060	10	30		AGEERO
CC[NH2+][C@H](CC#CC(C)(C)C)C(C)C	300729262	571861104	/nfs/dbraw/zinc/86/11/04/571861104.db2.gz	FCGDZEBZKHRIFV-GFCCVEGCSA-N	1	0	195.350	3.060	10	30		AGEERO
C[NH2+][C@@H](C)C[C@H](C)CC#CC(C)(C)C	300726709	571861767	/nfs/dbraw/zinc/86/17/67/571861767.db2.gz	DJONZCMIMKFKLF-NEPJUHHUSA-N	1	0	195.350	3.060	10	30		AGEERO
C[NH2+][C@@H](C)C[C@@H](C)CC#CC(C)(C)C	300726711	571862168	/nfs/dbraw/zinc/86/21/68/571862168.db2.gz	DJONZCMIMKFKLF-RYUDHWBXSA-N	1	0	195.350	3.060	10	30		AGEERO
CC(C)C[NH2+]CCCC#CC(C)(C)C	300735105	571864915	/nfs/dbraw/zinc/86/49/15/571864915.db2.gz	GYEJURRBIIVCMP-UHFFFAOYSA-N	1	0	195.350	3.062	10	30		AGEERO
CC(C)(C)C#CCCC[NH2+]C(C)(C)C	300730552	571865333	/nfs/dbraw/zinc/86/53/33/571865333.db2.gz	FMTNHIPTCBAFOT-UHFFFAOYSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@H](CCC)[NH2+]C[C@H](C)CC(C)C	300736787	571867044	/nfs/dbraw/zinc/86/70/44/571867044.db2.gz	AFNOPMWUGTYQNE-CHWSQXEVSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@@H](CCC)[NH2+]C[C@@H](C)CC(C)C	300736792	571867687	/nfs/dbraw/zinc/86/76/87/571867687.db2.gz	AFNOPMWUGTYQNE-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
CCCC(C)(C)[NH2+]CC#CC(C)(C)C	300739104	571867850	/nfs/dbraw/zinc/86/78/50/571867850.db2.gz	HZORENHLOHTJRP-UHFFFAOYSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@H](CCC)[NH2+]C[C@@H](C)CC(C)C	300736790	571867935	/nfs/dbraw/zinc/86/79/35/571867935.db2.gz	AFNOPMWUGTYQNE-QWHCGFSZSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CCCCCC[C@]1(C)CCC[NH2+]1	235390836	571869332	/nfs/dbraw/zinc/86/93/32/571869332.db2.gz	KNKPQBGAXQMKRG-GFCCVEGCSA-N	1	0	181.323	3.265	10	30		AGEERO
C=C[C@H]1CCC[C@@H](c2ccccc2)[NH2+]1	139078689	571869391	/nfs/dbraw/zinc/86/93/91/571869391.db2.gz	XSINYHDKKIQMPD-STQMWFEESA-N	1	0	187.286	3.056	10	30		AGEERO
C#C[C@@H](CCC)[NH2+]C[C@H](C)CC(C)C	300736789	571869456	/nfs/dbraw/zinc/86/94/56/571869456.db2.gz	AFNOPMWUGTYQNE-OLZOCXBDSA-N	1	0	195.350	3.060	10	30		AGEERO
C[NH2+]CCC(C)(C)CC#CC(C)(C)C	300740643	571870329	/nfs/dbraw/zinc/87/03/29/571870329.db2.gz	IHEJADHUTJMLAJ-UHFFFAOYSA-N	1	0	195.350	3.062	10	30		AGEERO
CC[NH2+]CC[C@H](C)CC#CC(C)(C)C	300748632	571872662	/nfs/dbraw/zinc/87/26/62/571872662.db2.gz	KGGYXZQWMKITRA-GFCCVEGCSA-N	1	0	195.350	3.062	10	30		AGEERO
CCCC[C@H](C)[NH2+]CC#CC(C)(C)C	300748243	571873368	/nfs/dbraw/zinc/87/33/68/571873368.db2.gz	KDSXWPBMDDZBAV-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
CC[NH2+]C[C@H](C)CCC#CC(C)(C)C	300748581	571873548	/nfs/dbraw/zinc/87/35/48/571873548.db2.gz	KFCYPCYIDKCUQS-GFCCVEGCSA-N	1	0	195.350	3.062	10	30		AGEERO
CCCCCC[NH2+]CC#CC(C)(C)C	300749419	571873627	/nfs/dbraw/zinc/87/36/27/571873627.db2.gz	KNEGCNGNJDHFOC-UHFFFAOYSA-N	1	0	195.350	3.206	10	30		AGEERO
CC[NH2+]C[C@@H](C)CCC#CC(C)(C)C	300748582	571873745	/nfs/dbraw/zinc/87/37/45/571873745.db2.gz	KFCYPCYIDKCUQS-LBPRGKRZSA-N	1	0	195.350	3.062	10	30		AGEERO
CCC[C@H](C)[C@@H]([NH3+])CC#CC(C)(C)C	300748262	571874226	/nfs/dbraw/zinc/87/42/26/571874226.db2.gz	KEJDGPUTOSDUAQ-RYUDHWBXSA-N	1	0	195.350	3.190	10	30		AGEERO
CCC[P+](CC)(CC)CC	111889403	571874238	/nfs/dbraw/zinc/87/42/38/571874238.db2.gz	PGFKTVMMTHIEKT-UHFFFAOYSA-N	1	0	161.249	3.474	10	30		AGEERO
CCC[C@H](C)[C@H]([NH3+])CC#CC(C)(C)C	300748260	571874291	/nfs/dbraw/zinc/87/42/91/571874291.db2.gz	KEJDGPUTOSDUAQ-NWDGAFQWSA-N	1	0	195.350	3.190	10	30		AGEERO
CCC[C@@H](C)[C@@H]([NH3+])CC#CC(C)(C)C	300748258	571874494	/nfs/dbraw/zinc/87/44/94/571874494.db2.gz	KEJDGPUTOSDUAQ-NEPJUHHUSA-N	1	0	195.350	3.190	10	30		AGEERO
CCCC[C@@H](C)[NH2+]CC#CC(C)(C)C	300748242	571874822	/nfs/dbraw/zinc/87/48/22/571874822.db2.gz	KDSXWPBMDDZBAV-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
CC[NH2+]CC[C@@H](C)CC#CC(C)(C)C	300748633	571874869	/nfs/dbraw/zinc/87/48/69/571874869.db2.gz	KGGYXZQWMKITRA-LBPRGKRZSA-N	1	0	195.350	3.062	10	30		AGEERO
CCC[C@@H](C)[C@H]([NH3+])CC#CC(C)(C)C	300748264	571874950	/nfs/dbraw/zinc/87/49/50/571874950.db2.gz	KEJDGPUTOSDUAQ-VXGBXAGGSA-N	1	0	195.350	3.190	10	30		AGEERO
C[NH2+][C@@H](CC#CC(C)(C)C)CC(C)C	300744068	571876699	/nfs/dbraw/zinc/87/66/99/571876699.db2.gz	JAJRWUVREUCTKV-LBPRGKRZSA-N	1	0	195.350	3.060	10	30		AGEERO
CC(C)[NH2+]CCCCC#CC(C)(C)C	300743392	571877650	/nfs/dbraw/zinc/87/76/50/571877650.db2.gz	IYRVDNWOHKNDIL-UHFFFAOYSA-N	1	0	195.350	3.204	10	30		AGEERO
CC[NH2+][C@H](C)[C@@H](C)CC#CC(C)(C)C	300751098	571878542	/nfs/dbraw/zinc/87/85/42/571878542.db2.gz	LCUYKQQWLVQULB-NWDGAFQWSA-N	1	0	195.350	3.060	10	30		AGEERO
CC[NH2+][C@H](C)[C@H](C)CC#CC(C)(C)C	300751100	571879679	/nfs/dbraw/zinc/87/96/79/571879679.db2.gz	LCUYKQQWLVQULB-VXGBXAGGSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(C)C[C@H]([NH3+])CCC(C)(C)C	300750815	571879687	/nfs/dbraw/zinc/87/96/87/571879687.db2.gz	GQLBBMLDUOWOAO-SNVBAGLBSA-N	1	0	169.312	3.106	10	30		AGEERO
C#C[C@H](C[C@H](CC)C(C)(C)C)[NH2+]CC	711065188	571879814	/nfs/dbraw/zinc/87/98/14/571879814.db2.gz	VTVDNBYZJWZLIJ-NWDGAFQWSA-N	1	0	195.350	3.060	10	30		AGEERO
CC[C@H](CCCC#CC(C)(C)C)[NH2+]C	300751153	571879879	/nfs/dbraw/zinc/87/98/79/571879879.db2.gz	LEGZUHQWIZNBOY-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])CCC(C)(C)C	300750813	571879972	/nfs/dbraw/zinc/87/99/72/571879972.db2.gz	GQLBBMLDUOWOAO-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
CC[C@@H](CCCC#CC(C)(C)C)[NH2+]C	300751154	571880210	/nfs/dbraw/zinc/88/02/10/571880210.db2.gz	LEGZUHQWIZNBOY-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@H](C[C@@H](CC)C(C)(C)C)[NH2+]CC	711065192	571880222	/nfs/dbraw/zinc/88/02/22/571880222.db2.gz	VTVDNBYZJWZLIJ-VXGBXAGGSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@@H](C[C@@H](CC)C(C)(C)C)[NH2+]CC	711065183	571880424	/nfs/dbraw/zinc/88/04/24/571880424.db2.gz	VTVDNBYZJWZLIJ-NEPJUHHUSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@@H](C[C@H](CC)C(C)(C)C)[NH2+]CC	711065190	571880434	/nfs/dbraw/zinc/88/04/34/571880434.db2.gz	VTVDNBYZJWZLIJ-RYUDHWBXSA-N	1	0	195.350	3.060	10	30		AGEERO
CCC(CC)[C@H]([NH3+])CC#CC(C)(C)C	300756946	571881247	/nfs/dbraw/zinc/88/12/47/571881247.db2.gz	MWGNWOQTNFEMRM-GFCCVEGCSA-N	1	0	195.350	3.190	10	30		AGEERO
C=CCC[C@@H]([NH3+])CCC(C)(C)C	300756732	571883119	/nfs/dbraw/zinc/88/31/19/571883119.db2.gz	KEYWXMZLLWBWBX-SNVBAGLBSA-N	1	0	169.312	3.106	10	30		AGEERO
CCC(CC)[C@@H]([NH3+])CC#CC(C)(C)C	300756947	571883004	/nfs/dbraw/zinc/88/30/04/571883004.db2.gz	MWGNWOQTNFEMRM-LBPRGKRZSA-N	1	0	195.350	3.190	10	30		AGEERO
C=CCC[C@H]([NH3+])CCC(C)(C)C	300756729	571883319	/nfs/dbraw/zinc/88/33/19/571883319.db2.gz	KEYWXMZLLWBWBX-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
CC/C=C/C=[NH+]\Cc1ccccc1	100275195	571885359	/nfs/dbraw/zinc/88/53/59/571885359.db2.gz	UWNQYLKXOPZDPV-HCPNWHIASA-N	1	0	173.259	3.224	10	30		AGEERO
CC[C@H](C)[C@@H](CC#CC(C)(C)C)[NH2+]C	300758375	571885429	/nfs/dbraw/zinc/88/54/29/571885429.db2.gz	NDKAYWYNYGUJDG-NWDGAFQWSA-N	1	0	195.350	3.060	10	30		AGEERO
CC[C@@H](C)[C@@H](CC#CC(C)(C)C)[NH2+]C	300758379	571885715	/nfs/dbraw/zinc/88/57/15/571885715.db2.gz	NDKAYWYNYGUJDG-VXGBXAGGSA-N	1	0	195.350	3.060	10	30		AGEERO
CC[C@H](C)[C@H](CC#CC(C)(C)C)[NH2+]C	300758377	571885897	/nfs/dbraw/zinc/88/58/97/571885897.db2.gz	NDKAYWYNYGUJDG-RYUDHWBXSA-N	1	0	195.350	3.060	10	30		AGEERO
CC[C@@H](C)[C@H](CC#CC(C)(C)C)[NH2+]C	300758373	571886058	/nfs/dbraw/zinc/88/60/58/571886058.db2.gz	NDKAYWYNYGUJDG-NEPJUHHUSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])[C@H](C)C1CC1	235413481	571889459	/nfs/dbraw/zinc/88/94/59/571889459.db2.gz	WPYOJMDCEWROEC-YPMHNXCESA-N	1	0	195.350	3.496	10	30		AGEERO
C=CC[C@@H](C[NH2+]C1CC1)C1CCCC1	387487132	571890866	/nfs/dbraw/zinc/89/08/66/571890866.db2.gz	VUDGXVCWFORTJG-LBPRGKRZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])[C@H](C)C1CC1	235417557	571892610	/nfs/dbraw/zinc/89/26/10/571892610.db2.gz	WPYOJMDCEWROEC-DGCLKSJQSA-N	1	0	195.350	3.496	10	30		AGEERO
CCC(CC)C[NH2+]CC#CC(C)(C)C	300762359	571891944	/nfs/dbraw/zinc/89/19/44/571891944.db2.gz	NWZJHVIKOWBOIT-UHFFFAOYSA-N	1	0	195.350	3.062	10	30		AGEERO
C=CCCCCC[NH2+][C@H](C)CC=C	235419608	571898856	/nfs/dbraw/zinc/89/88/56/571898856.db2.gz	SBDVPWNVCJPXAY-GFCCVEGCSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCCCC[C@H](C)CC[NH3+]	235423500	571899628	/nfs/dbraw/zinc/89/96/28/571899628.db2.gz	HDDRXBJLTVQBND-NSHDSACASA-N	1	0	169.312	3.108	10	30		AGEERO
C=CCCCCC[C@@H](C)[C@H](C)C[NH3+]	235437722	571908147	/nfs/dbraw/zinc/90/81/47/571908147.db2.gz	WXMCHGWJIPOTJD-VXGBXAGGSA-N	1	0	183.339	3.354	10	30		AGEERO
CC/C=[NH+]/[C@@H](C)c1ccccc1	39215755	571909613	/nfs/dbraw/zinc/90/96/13/571909613.db2.gz	UHVWRYGIKJCQIN-LZAIMSLLSA-N	1	0	161.248	3.228	10	30		AGEERO
C=CCCCCCC[C@@H](C)C[NH2+]C	234376562	571910002	/nfs/dbraw/zinc/91/00/02/571910002.db2.gz	AMDXYRMBQPXXFY-GFCCVEGCSA-N	1	0	183.339	3.369	10	30		AGEERO
C=CC[C@H](C[C@H](C)CCC)[NH2+]CC	128594456	571910954	/nfs/dbraw/zinc/91/09/54/571910954.db2.gz	JBXJQLPAPKXQHO-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
CCC[NH2+][C@@H](CC)CC#CC(C)(C)C	300771677	571911467	/nfs/dbraw/zinc/91/14/67/571911467.db2.gz	PUBCEYQFSMACEM-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCCC[NH2+]C[C@@H](C)C1CC1	235452725	571911709	/nfs/dbraw/zinc/91/17/09/571911709.db2.gz	QRVPHKOEWXYXGR-GFCCVEGCSA-N	1	0	195.350	3.369	10	30		AGEERO
CCC[NH2+][C@H](CC)CC#CC(C)(C)C	300771675	571912132	/nfs/dbraw/zinc/91/21/32/571912132.db2.gz	PUBCEYQFSMACEM-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
CC(C)N(CC#N)CCCC(C)(C)C	300773107	571916667	/nfs/dbraw/zinc/91/66/67/571916667.db2.gz	IUHDMGNAIVGLSB-UHFFFAOYSA-N	1	0	196.338	3.047	10	30		AGEERO
CC(C)CC[C@H]([NH3+])CC#CC(C)(C)C	300775155	571916561	/nfs/dbraw/zinc/91/65/61/571916561.db2.gz	QLPWRHSGXCIKBV-GFCCVEGCSA-N	1	0	195.350	3.190	10	30		AGEERO
CC(C)CC[C@@H]([NH3+])CC#CC(C)(C)C	300775158	571916999	/nfs/dbraw/zinc/91/69/99/571916999.db2.gz	QLPWRHSGXCIKBV-LBPRGKRZSA-N	1	0	195.350	3.190	10	30		AGEERO
CC(C)[C@H]([NH3+])CCCC#CC(C)(C)C	300774356	571918409	/nfs/dbraw/zinc/91/84/09/571918409.db2.gz	QFUIILAYEKSAEK-GFCCVEGCSA-N	1	0	195.350	3.190	10	30		AGEERO
CC[C@H](C)C[C@@H]([NH3+])CC#CC(C)(C)C	300774949	571918853	/nfs/dbraw/zinc/91/88/53/571918853.db2.gz	QJFPACAWSFYIOL-RYUDHWBXSA-N	1	0	195.350	3.190	10	30		AGEERO
C=CCCCCC[C@@H](C)CC[NH2+]C	234383231	571918938	/nfs/dbraw/zinc/91/89/38/571918938.db2.gz	WNENWFIIRATPMB-GFCCVEGCSA-N	1	0	183.339	3.369	10	30		AGEERO
C=CC[NH2+]CC1CCCCCCC1	300774812	571918959	/nfs/dbraw/zinc/91/89/59/571918959.db2.gz	KZQJPCZBFODBMC-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
CC[C@@H](C)C[C@@H]([NH3+])CC#CC(C)(C)C	300774945	571919570	/nfs/dbraw/zinc/91/95/70/571919570.db2.gz	QJFPACAWSFYIOL-NEPJUHHUSA-N	1	0	195.350	3.190	10	30		AGEERO
CC[C@H](C)C[C@H]([NH3+])CC#CC(C)(C)C	300774947	571919676	/nfs/dbraw/zinc/91/96/76/571919676.db2.gz	QJFPACAWSFYIOL-NWDGAFQWSA-N	1	0	195.350	3.190	10	30		AGEERO
CC[C@@H](C)C[C@H]([NH3+])CC#CC(C)(C)C	300774950	571920838	/nfs/dbraw/zinc/92/08/38/571920838.db2.gz	QJFPACAWSFYIOL-VXGBXAGGSA-N	1	0	195.350	3.190	10	30		AGEERO
CC(C)[C@@H]([NH3+])CCCC#CC(C)(C)C	300774358	571920875	/nfs/dbraw/zinc/92/08/75/571920875.db2.gz	QFUIILAYEKSAEK-LBPRGKRZSA-N	1	0	195.350	3.190	10	30		AGEERO
C=CCCCCC[C@H](C)[C@H](C)[NH3+]	235490024	571923195	/nfs/dbraw/zinc/92/31/95/571923195.db2.gz	UJDITDJVROAUHP-QWRGUYRKSA-N	1	0	169.312	3.106	10	30		AGEERO
C#CCCC[C@H](CCC(C)(C)C)[NH2+]C	300780463	571923199	/nfs/dbraw/zinc/92/31/99/571923199.db2.gz	BDUJKLWQDXWUSZ-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCCC[C@@H](C)[C@H](C)[NH3+]	235490290	571923773	/nfs/dbraw/zinc/92/37/73/571923773.db2.gz	UJDITDJVROAUHP-MNOVXSKESA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCC/C(C)=C/CC[NH2+]C(C)C	211721396	571924959	/nfs/dbraw/zinc/92/49/59/571924959.db2.gz	LJOHXSSEAJVEOW-FMIVXFBMSA-N	1	0	181.323	3.287	10	30		AGEERO
C=C(C)C[C@@H](CCC(C)(C)C)[NH2+]C	300782122	571926816	/nfs/dbraw/zinc/92/68/16/571926816.db2.gz	BIPJQVMHTKUVNG-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@H](C)[NH2+]CCCC(C)(C)C	300791360	571927683	/nfs/dbraw/zinc/92/76/83/571927683.db2.gz	CKMNIMJVJLKRKZ-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@@H](C)[NH2+]CCCC(C)(C)C	300791359	571929214	/nfs/dbraw/zinc/92/92/14/571929214.db2.gz	CKMNIMJVJLKRKZ-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCCC/C(C)=C\CC[NH3+]	235777793	571931564	/nfs/dbraw/zinc/93/15/64/571931564.db2.gz	SZTORNOMFMVKPC-BENRWUELSA-N	1	0	181.323	3.418	10	30		AGEERO
CC#CC[C@H](CCC(C)(C)C)[NH2+]CC	300798080	571932317	/nfs/dbraw/zinc/93/23/17/571932317.db2.gz	DKJOQTOWBWRKGQ-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
CC(C)C[C@H](C)[NH2+]CC#CC(C)(C)C	300789708	571932996	/nfs/dbraw/zinc/93/29/96/571932996.db2.gz	SWNNFVRDAZEYNN-LBPRGKRZSA-N	1	0	195.350	3.060	10	30		AGEERO
CC#CC[C@@H](CCC(C)(C)C)[NH2+]CC	300798084	571933344	/nfs/dbraw/zinc/93/33/44/571933344.db2.gz	DKJOQTOWBWRKGQ-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
CC(C)C[C@@H](C)[NH2+]CC#CC(C)(C)C	300789707	571933355	/nfs/dbraw/zinc/93/33/55/571933355.db2.gz	SWNNFVRDAZEYNN-GFCCVEGCSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CCCCCC[C@H](C)C[C@H](C)[NH3+]	235496891	571933993	/nfs/dbraw/zinc/93/39/93/571933993.db2.gz	NGVHPIUDXDKTJX-RYUDHWBXSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CC[C@H](C[NH2+]C)CC(C)(C)C(C)C	713130870	571934501	/nfs/dbraw/zinc/93/45/01/571934501.db2.gz	CHYQWEVJMVLPNJ-LBPRGKRZSA-N	1	0	197.366	3.470	10	30		AGEERO
C=CC[C@@H](C[NH2+]C)CC(C)(C)C(C)C	713130869	571934609	/nfs/dbraw/zinc/93/46/09/571934609.db2.gz	CHYQWEVJMVLPNJ-GFCCVEGCSA-N	1	0	197.366	3.470	10	30		AGEERO
C=CCCCCC[C@@H](C)C[C@H](C)[NH3+]	235501138	571937911	/nfs/dbraw/zinc/93/79/11/571937911.db2.gz	NGVHPIUDXDKTJX-NEPJUHHUSA-N	1	0	183.339	3.496	10	30		AGEERO
CC(C)(C)C#CC[C@@H]([NH3+])CC(C)(C)C	300801322	571942003	/nfs/dbraw/zinc/94/20/03/571942003.db2.gz	VMRGYMIAPCIDMP-LLVKDONJSA-N	1	0	195.350	3.190	10	30		AGEERO
C=CC[C@@H](C[NH2+]C)CC(C)(C)CC	713142070	571942920	/nfs/dbraw/zinc/94/29/20/571942920.db2.gz	UVJIEPAAPURJJS-LLVKDONJSA-N	1	0	183.339	3.224	10	30		AGEERO
CC[C@@H]([NH2+]CC#CC(C)(C)C)C(C)C	300808502	571943019	/nfs/dbraw/zinc/94/30/19/571943019.db2.gz	WVUPWIFBBHWBSZ-GFCCVEGCSA-N	1	0	195.350	3.060	10	30		AGEERO
CC[C@H]([NH2+]CC#CC(C)(C)C)C(C)C	300808505	571943765	/nfs/dbraw/zinc/94/37/65/571943765.db2.gz	WVUPWIFBBHWBSZ-LBPRGKRZSA-N	1	0	195.350	3.060	10	30		AGEERO
CCCC[C@H](CC#CC(C)(C)C)[NH2+]C	300809283	571944790	/nfs/dbraw/zinc/94/47/90/571944790.db2.gz	WYMLJAVEFZIPJK-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
CCCC[C@@H](CC#CC(C)(C)C)[NH2+]C	300809286	571946441	/nfs/dbraw/zinc/94/64/41/571946441.db2.gz	WYMLJAVEFZIPJK-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCC[C@H]([NH3+])c1c(C)cccc1C	235792136	571950586	/nfs/dbraw/zinc/95/05/86/571950586.db2.gz	NPVUUEPIBKQHMT-LBPRGKRZSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C[C@H](C)[NH2+]CCC1=CCCCC1	235524928	571953788	/nfs/dbraw/zinc/95/37/88/571953788.db2.gz	XWYYJIJFAJEWJZ-NSHDSACASA-N	1	0	179.307	3.041	10	30		AGEERO
C=C[C@H](C)[NH2+]CC1(C)CCCCC1	235525378	571955084	/nfs/dbraw/zinc/95/50/84/571955084.db2.gz	DKLZTBNECVPHMN-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H](C)[NH2+]Cc1cc(C)c(C)s1	235528695	571960377	/nfs/dbraw/zinc/96/03/77/571960377.db2.gz	FRTHFEVZFHELMV-VIFPVBQESA-N	1	0	195.331	3.029	10	30		AGEERO
CCCCCCCCN1CCCC1=[NH2+]	80496827	571964585	/nfs/dbraw/zinc/96/45/85/571964585.db2.gz	OCSZWMAOQCGLSA-UHFFFAOYSA-N	1	0	196.338	3.420	10	30		AGEERO
CCC/C=[NH+]/C1CCCCC1	32135197	571964980	/nfs/dbraw/zinc/96/49/80/571964980.db2.gz	FHZIRAKRPYIEQD-PKNBQFBNSA-N	1	0	153.269	3.190	10	30		AGEERO
C/C(=[NH+]/C1CCCCC1)C1CC1	32601919	571966102	/nfs/dbraw/zinc/96/61/02/571966102.db2.gz	XIWDESPDLQLBKY-XFXZXTDPSA-N	1	0	165.280	3.190	10	30		AGEERO
C=C[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1CC	219876371	571968627	/nfs/dbraw/zinc/96/86/27/571968627.db2.gz	MUVBGPAWNZCNBX-MROQNXINSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C(CC)C/C(C)=C/CC[NH2+]CC	211729980	571972142	/nfs/dbraw/zinc/97/21/42/571972142.db2.gz	XEUKRUKWPVEOQN-XYOKQWHBSA-N	1	0	181.323	3.289	10	30		AGEERO
CCCC(CCC)=[NH+]CC	32218112	571972427	/nfs/dbraw/zinc/97/24/27/571972427.db2.gz	FCKQTNVXHQEYLR-UHFFFAOYSA-N	1	0	141.258	3.048	10	30		AGEERO
C#CCCC1([NH3+])CCC(CCC)CC1	687693803	571973261	/nfs/dbraw/zinc/97/32/61/571973261.db2.gz	NVAORVBKAOMTQE-UHFFFAOYSA-N	1	0	193.334	3.088	10	30		AGEERO
CC#CCCC1([NH3+])CCC(CC)CC1	687694921	571978503	/nfs/dbraw/zinc/97/85/03/571978503.db2.gz	QNLQPYAMUUEISQ-UHFFFAOYSA-N	1	0	193.334	3.088	10	30		AGEERO
C=C(C)[C@@](C)([NH3+])c1cccc(Cl)c1	687695221	571978620	/nfs/dbraw/zinc/97/86/20/571978620.db2.gz	YMCCHORXBSCFBR-LLVKDONJSA-N	1	0	195.693	3.090	10	30		AGEERO
C=CC[C@]1([NH3+])C[C@@H](C)CC(C)(C)C1	687695174	571979137	/nfs/dbraw/zinc/97/91/37/571979137.db2.gz	OTZLFTYXVAHOCM-JQWIXIFHSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CC[C@]1([NH3+])C[C@H](C)CC[C@@H]1C(C)C	687695147	571979318	/nfs/dbraw/zinc/97/93/18/571979318.db2.gz	JZBGJZKDUOKAQD-UPJWGTAASA-N	1	0	195.350	3.352	10	30		AGEERO
C=C(C)[C@]1([NH3+])C[C@H](C)CC[C@H]1C(C)C	687695122	571979321	/nfs/dbraw/zinc/97/93/21/571979321.db2.gz	GGLCABKLPFBMPZ-FRRDWIJNSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@]1([NH3+])C[C@@H](C)CC[C@@H]1C(C)C	687695148	571979511	/nfs/dbraw/zinc/97/95/11/571979511.db2.gz	JZBGJZKDUOKAQD-XQQFMLRXSA-N	1	0	195.350	3.352	10	30		AGEERO
C=C(C)[C@@](C)([NH3+])c1ccc(Cl)cc1	687695130	571979514	/nfs/dbraw/zinc/97/95/14/571979514.db2.gz	HRAJXMJOAWVQSC-LLVKDONJSA-N	1	0	195.693	3.090	10	30		AGEERO
C=C(C)[C@]1([NH3+])C[C@@H](C)CC[C@H]1C(C)C	687695124	571979594	/nfs/dbraw/zinc/97/95/94/571979594.db2.gz	GGLCABKLPFBMPZ-RWMBFGLXSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@]1([NH3+])C[C@@H](C)CC[C@H]1C(C)C	687695146	571980014	/nfs/dbraw/zinc/98/00/14/571980014.db2.gz	JZBGJZKDUOKAQD-AVGNSLFASA-N	1	0	195.350	3.352	10	30		AGEERO
C=C(C)[C@](C)([NH3+])c1cccc(Cl)c1	687695222	571980124	/nfs/dbraw/zinc/98/01/24/571980124.db2.gz	YMCCHORXBSCFBR-NSHDSACASA-N	1	0	195.693	3.090	10	30		AGEERO
C=CC[C@@]1([NH3+])C[C@H](C)CC(C)(C)C1	687695176	571980130	/nfs/dbraw/zinc/98/01/30/571980130.db2.gz	OTZLFTYXVAHOCM-ZYHUDNBSSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)C1([NH3+])CCC(CCC)CC1	687695215	571980205	/nfs/dbraw/zinc/98/02/05/571980205.db2.gz	WEVODNVQLKGCSO-UHFFFAOYSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CC[C@@]1([NH3+])C[C@@H](C)CC(C)(C)C1	687695173	571980206	/nfs/dbraw/zinc/98/02/06/571980206.db2.gz	OTZLFTYXVAHOCM-CMPLNLGQSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)[C@](C)([NH3+])c1ccc(Cl)cc1	687695131	571980255	/nfs/dbraw/zinc/98/02/55/571980255.db2.gz	HRAJXMJOAWVQSC-NSHDSACASA-N	1	0	195.693	3.090	10	30		AGEERO
C=CC[C@]1([NH3+])C[C@H](C)CC(C)(C)C1	687695175	571980538	/nfs/dbraw/zinc/98/05/38/571980538.db2.gz	OTZLFTYXVAHOCM-PWSUYJOCSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CCC1([NH3+])CCC(CCC)CC1	687695160	571980690	/nfs/dbraw/zinc/98/06/90/571980690.db2.gz	MPOBHROMZZADMU-UHFFFAOYSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CC[C@]1([NH3+])C[C@H](C)CC[C@H]1C(C)C	687695145	571980629	/nfs/dbraw/zinc/98/06/29/571980629.db2.gz	JZBGJZKDUOKAQD-AGIUHOORSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CCCC[C@H]([NH3+])CCC(C)(C)C	300839128	571981570	/nfs/dbraw/zinc/98/15/70/571981570.db2.gz	JLTVUOAACIXNNS-NSHDSACASA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCC[C@@H]([NH3+])CCC(C)(C)C	300839126	571982116	/nfs/dbraw/zinc/98/21/16/571982116.db2.gz	JLTVUOAACIXNNS-LLVKDONJSA-N	1	0	183.339	3.496	10	30		AGEERO
C#CCCC[C@H]([NH2+]C)[C@H](C)CCCC	300844646	571983130	/nfs/dbraw/zinc/98/31/30/571983130.db2.gz	AGXPEIYZDRFZND-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])[C@@H](C)c1ccccc1	235551499	571982957	/nfs/dbraw/zinc/98/29/57/571982957.db2.gz	OZXIXJOQQYCAMJ-WCQYABFASA-N	1	0	189.302	3.084	10	30		AGEERO
C=C(C)CC[C@@H]([NH3+])CCC(C)(C)C	300848392	571983831	/nfs/dbraw/zinc/98/38/31/571983831.db2.gz	KRXBDFSACKEDGJ-LLVKDONJSA-N	1	0	183.339	3.496	10	30		AGEERO
C#CCCC[C@@H]([NH2+]C)[C@@H](C)CCCC	300844647	571983990	/nfs/dbraw/zinc/98/39/90/571983990.db2.gz	AGXPEIYZDRFZND-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCCC[C@H]([NH2+]C)[C@@H](C)CCCC	300844648	571984157	/nfs/dbraw/zinc/98/41/57/571984157.db2.gz	AGXPEIYZDRFZND-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)CC[C@H]([NH3+])CCC(C)(C)C	300848394	571984626	/nfs/dbraw/zinc/98/46/26/571984626.db2.gz	KRXBDFSACKEDGJ-NSHDSACASA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCC[C@@H]([NH3+])[C@@H](C)c1ccccc1	235551806	571984833	/nfs/dbraw/zinc/98/48/33/571984833.db2.gz	QSJHDEGMOMYOGR-WCQYABFASA-N	1	0	189.302	3.084	10	30		AGEERO
C=CCCC[C@H]([NH3+])[C@@H](C)CCCC	300853831	571986102	/nfs/dbraw/zinc/98/61/02/571986102.db2.gz	BNIQWAQAWDWNBJ-RYUDHWBXSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCC[C@H]([NH3+])[C@H](C)CCCC	300853824	571986106	/nfs/dbraw/zinc/98/61/06/571986106.db2.gz	BNIQWAQAWDWNBJ-NEPJUHHUSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCC[C@@H]([NH3+])[C@@H](C)CCCC	300853827	571986895	/nfs/dbraw/zinc/98/68/95/571986895.db2.gz	BNIQWAQAWDWNBJ-NWDGAFQWSA-N	1	0	183.339	3.496	10	30		AGEERO
C(=[NH+]/C1CCCCC1)\[C@@H]1CCCS1	687770306	571991494	/nfs/dbraw/zinc/99/14/94/571991494.db2.gz	QCKFRXDLOHLZNJ-UTEVDWOZSA-N	1	0	197.347	3.286	10	30		AGEERO
C(=[NH+]\C1CCCCC1)\[C@H]1CCCS1	687770307	571991535	/nfs/dbraw/zinc/99/15/35/571991535.db2.gz	QCKFRXDLOHLZNJ-ZGSOTFDTSA-N	1	0	197.347	3.286	10	30		AGEERO
C(=[NH+]/C1CCCCC1)\[C@H]1CCCS1	687770305	571991608	/nfs/dbraw/zinc/99/16/08/571991608.db2.gz	QCKFRXDLOHLZNJ-LWMMSDEHSA-N	1	0	197.347	3.286	10	30		AGEERO
C(=[NH+]\C1CCCCC1)\[C@@H]1CCCS1	687770304	571991741	/nfs/dbraw/zinc/99/17/41/571991741.db2.gz	QCKFRXDLOHLZNJ-AWPPVZKDSA-N	1	0	197.347	3.286	10	30		AGEERO
C=C(C)CC[NH2+]C[C@H]1CCC[C@H](C)C1	235571898	571997848	/nfs/dbraw/zinc/99/78/48/571997848.db2.gz	PCBDUMXOUQTKEI-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1c(C)cccc1C	235811544	571998431	/nfs/dbraw/zinc/99/84/31/571998431.db2.gz	NPVUUEPIBKQHMT-GFCCVEGCSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])[C@@H]1C[C@H]1C	300224009	572003723	/nfs/dbraw/zinc/00/37/23/572003723.db2.gz	JRFLZQAMXFTIEP-UTUOFQBUSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@@H]([NH3+])[C@H]1C	300225232	572004981	/nfs/dbraw/zinc/00/49/81/572004981.db2.gz	RLDAMXLDISNPJL-YNEHKIRRSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CCCCCCC[C@H](C)C[NH2+]C	300223236	572005015	/nfs/dbraw/zinc/00/50/15/572005015.db2.gz	AMDXYRMBQPXXFY-LBPRGKRZSA-N	1	0	183.339	3.369	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@H]([NH3+])[C@H]1C	300225231	572005273	/nfs/dbraw/zinc/00/52/73/572005273.db2.gz	RLDAMXLDISNPJL-XQQFMLRXSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C[C@@H](C)C1(C[NH2+]C(C)C)CCCC1	317322506	572005332	/nfs/dbraw/zinc/00/53/32/572005332.db2.gz	CSTLPVDJDDTZRP-GFCCVEGCSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCCC[C@H]1CCC[C@H]1C[NH3+]	300224421	572005675	/nfs/dbraw/zinc/00/56/75/572005675.db2.gz	MZAVPLYJTHSZQY-STQMWFEESA-N	1	0	195.350	3.498	10	30		AGEERO
C#C[C@H]([NH2+]CCCCCCC)C(C)C	300881886	572009323	/nfs/dbraw/zinc/00/93/23/572009323.db2.gz	IYXHUPKBBZPYDF-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@@H]([NH2+]CCCCCCC)C(C)C	300881884	572009901	/nfs/dbraw/zinc/00/99/01/572009901.db2.gz	IYXHUPKBBZPYDF-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C[C@H](CCC(C)(C)C)[NH2+]CCC	300882843	572012543	/nfs/dbraw/zinc/01/25/43/572012543.db2.gz	OSMRYMIQBDOVAX-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CC[C@H]([NH3+])[C@@H]1CCC[C@H]1C	300231868	572012445	/nfs/dbraw/zinc/01/24/45/572012445.db2.gz	DZJZVSOOZDLHMM-UTUOFQBUSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)CC[C@H]([NH3+])[C@H]1CCC[C@H]1C	300231869	572012478	/nfs/dbraw/zinc/01/24/78/572012478.db2.gz	DZJZVSOOZDLHMM-WOPDTQHZSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@@H]1CCC[C@H]1C	300231702	572012984	/nfs/dbraw/zinc/01/29/84/572012984.db2.gz	DPNQAZURTDIKII-UTUOFQBUSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@@H](CCC(C)(C)C)[NH2+]CCC	300882847	572014453	/nfs/dbraw/zinc/01/44/53/572014453.db2.gz	OSMRYMIQBDOVAX-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CC[C@H]([NH2+]C)[C@H]1CCC[C@H]1C	300232891	572014653	/nfs/dbraw/zinc/01/46/53/572014653.db2.gz	ISZMOPDZGGHWGQ-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[C@H]([NH2+]C)[C@@H]1CCC[C@H]1C	300232892	572015430	/nfs/dbraw/zinc/01/54/30/572015430.db2.gz	ISZMOPDZGGHWGQ-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)[C@@H]1CCC[C@H]1C	300235898	572015738	/nfs/dbraw/zinc/01/57/38/572015738.db2.gz	RZWIPSMDSFCIAO-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H](CCC(C)(C)C)[NH2+]C	300884954	572015756	/nfs/dbraw/zinc/01/57/56/572015756.db2.gz	OYVYQQIBNWLHRG-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H]([NH3+])[C@H]1CCC[C@H]1C	300234349	572016949	/nfs/dbraw/zinc/01/69/49/572016949.db2.gz	NLEYFOBQDCIQIK-WOPDTQHZSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)[C@H]1CCC[C@H]1C	300235896	572017002	/nfs/dbraw/zinc/01/70/02/572017002.db2.gz	RZWIPSMDSFCIAO-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)[C@H]1CCC[C@H]1C	300237096	572017063	/nfs/dbraw/zinc/01/70/63/572017063.db2.gz	XUJNRFCHHUZJCH-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)[C@H]1CCC[C@H]1C	300234222	572017607	/nfs/dbraw/zinc/01/76/07/572017607.db2.gz	NHTZLLYRPDNMLP-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]([NH2+]CCC)[C@@H]1CCC[C@H]1C	300234023	572017761	/nfs/dbraw/zinc/01/77/61/572017761.db2.gz	MQWIWICRQZATKS-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]([NH2+]CCC)[C@H]1CCC[C@H]1C	300234021	572017875	/nfs/dbraw/zinc/01/78/75/572017875.db2.gz	MQWIWICRQZATKS-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)[C@H]1CCC[C@H]1C	300237767	572018036	/nfs/dbraw/zinc/01/80/36/572018036.db2.gz	ZPKBBQMNCSYUHJ-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)[C@@H]1CCC[C@H]1C	300237768	572018840	/nfs/dbraw/zinc/01/88/40/572018840.db2.gz	ZPKBBQMNCSYUHJ-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)[C@H]1CCC[C@H]1C	300234209	572019047	/nfs/dbraw/zinc/01/90/47/572019047.db2.gz	NGEKUFBUOYZGNW-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)[C@@H]1CCC[C@H]1C	300234223	572019538	/nfs/dbraw/zinc/01/95/38/572019538.db2.gz	NHTZLLYRPDNMLP-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
CC#CCC[C@H](CCC(C)(C)C)[NH2+]C	300893207	572024870	/nfs/dbraw/zinc/02/48/70/572024870.db2.gz	PXVJQHMDAUUJJG-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
CC#CCC[C@@H](CCC(C)(C)C)[NH2+]C	300893211	572025651	/nfs/dbraw/zinc/02/56/51/572025651.db2.gz	PXVJQHMDAUUJJG-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C[C@]1([NH3+])CCCC[C@@H]1C(C)(C)C	687775739	572029687	/nfs/dbraw/zinc/02/96/87/572029687.db2.gz	MPZXYWOLQLPAFG-PWSUYJOCSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@](C)(C[NH3+])CCCC(C)(C)C	300894371	572029695	/nfs/dbraw/zinc/02/96/95/572029695.db2.gz	QCVPDWLXXVGTBZ-LBPRGKRZSA-N	1	0	183.339	3.354	10	30		AGEERO
C=C[C@]1([NH3+])CCCC[C@H]1C(C)(C)C	687775738	572029718	/nfs/dbraw/zinc/02/97/18/572029718.db2.gz	MPZXYWOLQLPAFG-JQWIXIFHSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@@]1([NH3+])CCCC[C@@H]1C(C)(C)C	687775740	572030034	/nfs/dbraw/zinc/03/00/34/572030034.db2.gz	MPZXYWOLQLPAFG-ZYHUDNBSSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@@]1([NH3+])CCCC[C@H]1C(C)(C)C	687775737	572030257	/nfs/dbraw/zinc/03/02/57/572030257.db2.gz	MPZXYWOLQLPAFG-CMPLNLGQSA-N	1	0	181.323	3.106	10	30		AGEERO
C#CCC[C@H](CCC(C)C)[NH2+]CCC	82498273	572031837	/nfs/dbraw/zinc/03/18/37/572031837.db2.gz	OTPBSGIVRZIYLK-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H](CCC(C)C)[NH2+]CCC	82498271	572031862	/nfs/dbraw/zinc/03/18/62/572031862.db2.gz	OTPBSGIVRZIYLK-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C[C@](C)(C[NH2+]C)CC(C)(C)C(C)C	713202050	572032252	/nfs/dbraw/zinc/03/22/52/572032252.db2.gz	RKSZZWSBVDVJKP-ZDUSSCGKSA-N	1	0	197.366	3.470	10	30		AGEERO
C=C[C@@](C)(C[NH2+]C)CC(C)(C)C(C)C	713202049	572033420	/nfs/dbraw/zinc/03/34/20/572033420.db2.gz	RKSZZWSBVDVJKP-CYBMUJFWSA-N	1	0	197.366	3.470	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])[C@H]1C[C@@H]1C	235585944	572034610	/nfs/dbraw/zinc/03/46/10/572034610.db2.gz	JRFLZQAMXFTIEP-SRVKXCTJSA-N	1	0	181.323	3.106	10	30		AGEERO
C#C[C@H](CCC)[NH2+]CCCC(C)(C)C	300900559	572035309	/nfs/dbraw/zinc/03/53/09/572035309.db2.gz	QUTZGFHGYHYINV-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@@H](CCC)[NH2+]CCCC(C)(C)C	300900560	572035391	/nfs/dbraw/zinc/03/53/91/572035391.db2.gz	QUTZGFHGYHYINV-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)CC[NH2+]C[C@@H]1CCC[C@H](C)C1	235590399	572036167	/nfs/dbraw/zinc/03/61/67/572036167.db2.gz	PCBDUMXOUQTKEI-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
CC(C)C[C@@H](C)[N@H+](C)CCCCC#N	42582620	572036711	/nfs/dbraw/zinc/03/67/11/572036711.db2.gz	ZUKTYBDRICKENN-GFCCVEGCSA-N	1	0	196.338	3.047	10	30		AGEERO
C=C(C)CCC(C)(C)C[C@@H](C)[NH2+]C	229094361	572038339	/nfs/dbraw/zinc/03/83/39/572038339.db2.gz	KYWIOQCZJZZOMR-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C#CCC[C@@H](CCC(C)(C)C)[NH2+]CC	300904136	572039055	/nfs/dbraw/zinc/03/90/55/572039055.db2.gz	RDUUNDPYGWGCGY-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
CC(C)CCC[C@@H](C)[NH2+][C@@H](C)CC#N	42589701	572039328	/nfs/dbraw/zinc/03/93/28/572039328.db2.gz	YNMIAMGRZDRUPO-NEPJUHHUSA-N	1	0	196.338	3.093	10	30		AGEERO
C=C(C)[C@@H](CCC(C)(C)C)[NH2+]CC	300904317	572040064	/nfs/dbraw/zinc/04/00/64/572040064.db2.gz	RGNQGSBXRYMKFV-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C#CCC[C@H](CCC(C)(C)C)[NH2+]CC	300904135	572040137	/nfs/dbraw/zinc/04/01/37/572040137.db2.gz	RDUUNDPYGWGCGY-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)[C@H](CCC(C)(C)C)[NH2+]CC	300904319	572040159	/nfs/dbraw/zinc/04/01/59/572040159.db2.gz	RGNQGSBXRYMKFV-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH3+])[C@@H](C)c1ccccc1	235603190	572041316	/nfs/dbraw/zinc/04/13/16/572041316.db2.gz	QSJHDEGMOMYOGR-AAEUAGOBSA-N	1	0	189.302	3.084	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])[C@@H](C)C1CC1	235062133	572042595	/nfs/dbraw/zinc/04/25/95/572042595.db2.gz	WPYOJMDCEWROEC-AAEUAGOBSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1ccoc1Cl	233158432	572042776	/nfs/dbraw/zinc/04/27/76/572042776.db2.gz	GRKXMHWXWCZNBJ-SECBINFHSA-N	1	0	199.681	3.160	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])[C@@H]1C[C@@H]1C	235599661	572043253	/nfs/dbraw/zinc/04/32/53/572043253.db2.gz	JRFLZQAMXFTIEP-TUAOUCFPSA-N	1	0	181.323	3.106	10	30		AGEERO
CCCC[N@H+]([C@@H](C)CC)[C@@H](C)CC#N	42607432	572043602	/nfs/dbraw/zinc/04/36/02/572043602.db2.gz	WMKNLRDFDXRMKD-RYUDHWBXSA-N	1	0	196.338	3.189	10	30		AGEERO
CC(C)/C=[NH+]/[C@@H](C)c1ccccc1	33910768	572044296	/nfs/dbraw/zinc/04/42/96/572044296.db2.gz	OCCGVLCERPLJTF-GJSJWPQCSA-N	1	0	175.275	3.474	10	30		AGEERO
C#CCCCC[NH2+]CC(C)(C)C(C)C	713207396	572046488	/nfs/dbraw/zinc/04/64/88/572046488.db2.gz	MWOLGMVZNCEFDI-UHFFFAOYSA-N	1	0	195.350	3.062	10	30		AGEERO
C=CCCCCC[NH2+][C@@H](C)CC=C	235068642	572046533	/nfs/dbraw/zinc/04/65/33/572046533.db2.gz	SBDVPWNVCJPXAY-LBPRGKRZSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@@H]([NH3+])[C@@H]1C	235605948	572049772	/nfs/dbraw/zinc/04/97/72/572049772.db2.gz	RLDAMXLDISNPJL-JHJVBQTASA-N	1	0	195.350	3.496	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)[C@H](C)CCCC	300920890	572050481	/nfs/dbraw/zinc/05/04/81/572050481.db2.gz	LENWSYZSZDZCIW-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)[C@@H](C)CCCC	300920892	572050632	/nfs/dbraw/zinc/05/06/32/572050632.db2.gz	LENWSYZSZDZCIW-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)[C@@H](C)CCCC	300920891	572050943	/nfs/dbraw/zinc/05/09/43/572050943.db2.gz	LENWSYZSZDZCIW-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CC[C@H]([NH3+])[C@H](C)CCCC	300920062	572054477	/nfs/dbraw/zinc/05/44/77/572054477.db2.gz	LATNTRSWXVQTCG-NEPJUHHUSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(C)CC[C@H]([NH3+])[C@@H](C)CCCC	300920065	572054798	/nfs/dbraw/zinc/05/47/98/572054798.db2.gz	LATNTRSWXVQTCG-RYUDHWBXSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(C)CC[C@@H]([NH3+])[C@@H](C)CCCC	300920063	572054805	/nfs/dbraw/zinc/05/48/05/572054805.db2.gz	LATNTRSWXVQTCG-NWDGAFQWSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)c1ccoc1Cl	233583318	572055573	/nfs/dbraw/zinc/05/55/73/572055573.db2.gz	CYDHXKWSRVMMMZ-SECBINFHSA-N	1	0	199.681	3.160	10	30		AGEERO
C=C(C)CC[C@@H]([NH3+])[C@H](C)CCCC	300920066	572055775	/nfs/dbraw/zinc/05/57/75/572055775.db2.gz	LATNTRSWXVQTCG-VXGBXAGGSA-N	1	0	183.339	3.496	10	30		AGEERO
CCCC[NH+](CCCC)C[C@@H](C)C#N	36667752	572057334	/nfs/dbraw/zinc/05/73/34/572057334.db2.gz	NGRQYQBSODDQNX-LBPRGKRZSA-N	1	0	196.338	3.048	10	30		AGEERO
CCCC[NH+](CCCC)C[C@H](C)C#N	36667753	572059519	/nfs/dbraw/zinc/05/95/19/572059519.db2.gz	NGRQYQBSODDQNX-GFCCVEGCSA-N	1	0	196.338	3.048	10	30		AGEERO
CCC(CC)[C@H](C)[NH2+]CCCCC#N	82632012	572075950	/nfs/dbraw/zinc/07/59/50/572075950.db2.gz	VZJHSVFTAGODOT-NSHDSACASA-N	1	0	196.338	3.095	10	30		AGEERO
C=C(Cl)C[NH2+][C@@H](C)C(CC)CC	82632854	572076556	/nfs/dbraw/zinc/07/65/56/572076556.db2.gz	MJWVUOSKVMYVRC-VIFPVBQESA-N	1	0	189.730	3.153	10	30		AGEERO
C=C(Cl)C[NH2+][C@H](C)C(CC)CC	82632849	572076273	/nfs/dbraw/zinc/07/62/73/572076273.db2.gz	MJWVUOSKVMYVRC-SECBINFHSA-N	1	0	189.730	3.153	10	30		AGEERO
CCC(CC)[C@@H](C)[NH2+]CCCCC#N	82632011	572076888	/nfs/dbraw/zinc/07/68/88/572076888.db2.gz	VZJHSVFTAGODOT-LLVKDONJSA-N	1	0	196.338	3.095	10	30		AGEERO
CCC(CC)[C@@H](C)[NH2+][C@H](CC)CC#N	82632600	572077351	/nfs/dbraw/zinc/07/73/51/572077351.db2.gz	PYNPIKLGWLAAAK-ZYHUDNBSSA-N	1	0	196.338	3.093	10	30		AGEERO
CCC(CC)[C@H](C)[NH2+][C@H](CC)CC#N	82632602	572077615	/nfs/dbraw/zinc/07/76/15/572077615.db2.gz	PYNPIKLGWLAAAK-CMPLNLGQSA-N	1	0	196.338	3.093	10	30		AGEERO
CCC(CC)[C@@H](C)[NH2+][C@@H](CC)CC#N	82632596	572077726	/nfs/dbraw/zinc/07/77/26/572077726.db2.gz	PYNPIKLGWLAAAK-PWSUYJOCSA-N	1	0	196.338	3.093	10	30		AGEERO
C#CCC[C@@H](CC(C)(C)C)[NH2+]CCC	82674668	572081405	/nfs/dbraw/zinc/08/14/05/572081405.db2.gz	STOLAXJTRIUOPZ-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])CCC(C)(C)C	300930607	572081407	/nfs/dbraw/zinc/08/14/07/572081407.db2.gz	UZWLHHASZDPFGG-NSHDSACASA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])CCC(C)(C)C	300930603	572081415	/nfs/dbraw/zinc/08/14/15/572081415.db2.gz	UZWLHHASZDPFGG-LLVKDONJSA-N	1	0	183.339	3.496	10	30		AGEERO
CC#CC[C@@H](CC(C)(C)C)[NH2+]CCC	82674671	572082305	/nfs/dbraw/zinc/08/23/05/572082305.db2.gz	TWSLRXGOXSMHGM-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H](CC(C)(C)C)[NH2+]CCC	82674644	572082388	/nfs/dbraw/zinc/08/23/88/572082388.db2.gz	LNBVXDORUBMSCQ-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
CC#CC[C@H](CC(C)(C)C)[NH2+]CCC	82674672	572082588	/nfs/dbraw/zinc/08/25/88/572082588.db2.gz	TWSLRXGOXSMHGM-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@@H](CC(C)(C)C)[NH2+]CCC	82674642	572082960	/nfs/dbraw/zinc/08/29/60/572082960.db2.gz	LNBVXDORUBMSCQ-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C#CCC[C@H]([NH2+]CC)[C@H](C)CCCC	300930959	572083234	/nfs/dbraw/zinc/08/32/34/572083234.db2.gz	MLTNLWLIHUCIOR-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@H](CC(C)(C)C)[NH2+]CCC	82674669	572083367	/nfs/dbraw/zinc/08/33/67/572083367.db2.gz	STOLAXJTRIUOPZ-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@H]([NH2+]CC)[C@@H](C)CCCC	300930962	572084508	/nfs/dbraw/zinc/08/45/08/572084508.db2.gz	MLTNLWLIHUCIOR-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H]([NH2+]CC)[C@@H](C)CCCC	300930961	572084570	/nfs/dbraw/zinc/08/45/70/572084570.db2.gz	MLTNLWLIHUCIOR-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@H]([NH3+])[C@@H]1C	235620847	572085391	/nfs/dbraw/zinc/08/53/91/572085391.db2.gz	RLDAMXLDISNPJL-UPJWGTAASA-N	1	0	195.350	3.496	10	30		AGEERO
CCCCCCC/C(C)=C\C[NH3+]	214924423	572094713	/nfs/dbraw/zinc/09/47/13/572094713.db2.gz	SESVWZUKKHBSDG-LUAWRHEFSA-N	1	0	169.312	3.252	10	30		AGEERO
C=CCCCC[C@@H](C)C[NH2+]CCC	82763843	572101172	/nfs/dbraw/zinc/10/11/72/572101172.db2.gz	WIAHVHRQGNHQJL-GFCCVEGCSA-N	1	0	183.339	3.369	10	30		AGEERO
C=CCCC[C@H](C)C[NH2+]C(C)(C)C	82764248	572102200	/nfs/dbraw/zinc/10/22/00/572102200.db2.gz	BZCORDQKLMCATJ-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCC[C@@H](C)C[NH2+]C(C)C	82764011	572102347	/nfs/dbraw/zinc/10/23/47/572102347.db2.gz	MROSTUKCBXBWLY-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCC[C@H](C)C[NH2+]C1CC1	82764176	572102868	/nfs/dbraw/zinc/10/28/68/572102868.db2.gz	BCGKYFLTKJDFCT-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[C@H](C)[C@@H](C)C[NH3+]	235135784	572102508	/nfs/dbraw/zinc/10/25/08/572102508.db2.gz	WXMCHGWJIPOTJD-RYUDHWBXSA-N	1	0	183.339	3.354	10	30		AGEERO
C=CCCCC[C@H](C)C[NH2+]C(C)C	82764010	572102968	/nfs/dbraw/zinc/10/29/68/572102968.db2.gz	MROSTUKCBXBWLY-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCCC[NH2+]C[C@H](C)C1CC1	235138993	572103051	/nfs/dbraw/zinc/10/30/51/572103051.db2.gz	QRVPHKOEWXYXGR-LBPRGKRZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCCC[C@@H](C)C[NH2+]C1CC1	82764177	572103083	/nfs/dbraw/zinc/10/30/83/572103083.db2.gz	BCGKYFLTKJDFCT-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H](C)C[NH2+]CC(C)C	82764347	572103788	/nfs/dbraw/zinc/10/37/88/572103788.db2.gz	LVGDJBOJPHYXSN-GFCCVEGCSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC[C@@H](CCCC(C)(C)C)[NH2+]C	300938085	572104568	/nfs/dbraw/zinc/10/45/68/572104568.db2.gz	VWSMEPMCXVIYSF-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C[C@@](C)(C[NH2+]C)C[C@H](C)CC(C)C	300937498	572104789	/nfs/dbraw/zinc/10/47/89/572104789.db2.gz	OJSNCDWEPMBXNV-CHWSQXEVSA-N	1	0	197.366	3.470	10	30		AGEERO
C=CC[C@H](CCCC(C)(C)C)[NH2+]C	300938083	572105861	/nfs/dbraw/zinc/10/58/61/572105861.db2.gz	VWSMEPMCXVIYSF-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C[C@@](C)(C[NH2+]C)C[C@@H](C)CC(C)C	300937507	572105944	/nfs/dbraw/zinc/10/59/44/572105944.db2.gz	OJSNCDWEPMBXNV-QWHCGFSZSA-N	1	0	197.366	3.470	10	30		AGEERO
C=CCCCCC[C@@H](C)[C@@H](C)C[NH3+]	235142223	572108781	/nfs/dbraw/zinc/10/87/81/572108781.db2.gz	WXMCHGWJIPOTJD-NEPJUHHUSA-N	1	0	183.339	3.354	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1ccoc1Cl	234444971	572118499	/nfs/dbraw/zinc/11/84/99/572118499.db2.gz	SJZDNJVVYAZIQZ-SECBINFHSA-N	1	0	199.681	3.160	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1ccoc1Cl	234444985	572119323	/nfs/dbraw/zinc/11/93/23/572119323.db2.gz	SJZDNJVVYAZIQZ-VIFPVBQESA-N	1	0	199.681	3.160	10	30		AGEERO
C=C[C@H](C)[NH2+]CC[C@H]1CCC[C@H](C)C1	300342215	572122010	/nfs/dbraw/zinc/12/20/10/572122010.db2.gz	AMNBKJHBFWICNI-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H]([NH2+]CCC)[C@@H](C)CCCC	300948475	572122902	/nfs/dbraw/zinc/12/29/02/572122902.db2.gz	OSQVRQVJFMVMEN-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)[C@@H](C)CCCC	300948472	572123677	/nfs/dbraw/zinc/12/36/77/572123677.db2.gz	OSQVRQVJFMVMEN-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)[C@H](C)CCCC	300948478	572124496	/nfs/dbraw/zinc/12/44/96/572124496.db2.gz	OSQVRQVJFMVMEN-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H](C)C[C@H](C)[NH2+]CCC	82810762	572124758	/nfs/dbraw/zinc/12/47/58/572124758.db2.gz	XMKJTABUXMLLLC-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H](C)C[C@H](C)[NH2+]CC	82810455	572124963	/nfs/dbraw/zinc/12/49/63/572124963.db2.gz	UKNMHPHWRNZRPK-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H](C)C[C@H](C)[NH2+]CC	82810450	572124982	/nfs/dbraw/zinc/12/49/82/572124982.db2.gz	UKNMHPHWRNZRPK-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H](C)C[C@@H](C)[NH2+]CC	82810458	572126027	/nfs/dbraw/zinc/12/60/27/572126027.db2.gz	UKNMHPHWRNZRPK-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H](C)C[C@@H](C)[NH2+]CCC	82810764	572126558	/nfs/dbraw/zinc/12/65/58/572126558.db2.gz	XMKJTABUXMLLLC-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H](C)C[C@@H](C)[NH2+]CCC	82810768	572126609	/nfs/dbraw/zinc/12/66/09/572126609.db2.gz	XMKJTABUXMLLLC-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H](C)C[C@H](C)[NH2+]CCC	82810766	572126652	/nfs/dbraw/zinc/12/66/52/572126652.db2.gz	XMKJTABUXMLLLC-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H](C)C[C@@H](C)[NH2+]CC	82810453	572126759	/nfs/dbraw/zinc/12/67/59/572126759.db2.gz	UKNMHPHWRNZRPK-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C#CCCC[NH2+]C[C@@H](CC)CCCC	300340264	572127293	/nfs/dbraw/zinc/12/72/93/572127293.db2.gz	ZTBVATDDMAMIIC-ZDUSSCGKSA-N	1	0	195.350	3.206	10	30		AGEERO
C#CCCC(C)(C)C[C@@H](C)[NH2+]CCC	82816947	572127610	/nfs/dbraw/zinc/12/76/10/572127610.db2.gz	PRTPWMYSCBMFTJ-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCCC(C)(C)C[C@H](C)[NH2+]CCC	82816946	572127632	/nfs/dbraw/zinc/12/76/32/572127632.db2.gz	PRTPWMYSCBMFTJ-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCC(C)(C)C[C@@H](C)[NH2+]CC	82816795	572127652	/nfs/dbraw/zinc/12/76/52/572127652.db2.gz	JXJPRSLLOBCNSP-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC(C)(C)C[C@H](C)[NH2+]CCC	82816924	572127835	/nfs/dbraw/zinc/12/78/35/572127835.db2.gz	QBSSNQYTOFAISQ-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCC(C)(C)C[C@H](C)[NH2+]C	82816710	572127844	/nfs/dbraw/zinc/12/78/44/572127844.db2.gz	DZZYTHMLCOZPBM-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC(C)(C)C[C@H](C)[NH2+]CC	82816794	572128033	/nfs/dbraw/zinc/12/80/33/572128033.db2.gz	JXJPRSLLOBCNSP-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
CC#CCC(C)(C)C[C@H](C)[NH2+]CCC	82816870	572128066	/nfs/dbraw/zinc/12/80/66/572128066.db2.gz	KJYVKUVALWVROS-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H]1C[C@H]1CCC	300359182	572132793	/nfs/dbraw/zinc/13/27/93/572132793.db2.gz	GAEBFBQZNHIPHH-TUAOUCFPSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCCC[NH2+]C1C[C@@H](C)C[C@@H](C)C1	82835125	572134065	/nfs/dbraw/zinc/13/40/65/572134065.db2.gz	KRWFMVNMMQYNTC-FUNVUKJBSA-N	1	0	195.350	3.367	10	30		AGEERO
C#CC(C)(C)[NH2+]C[C@@H](CC)CCCC	69681342	572134317	/nfs/dbraw/zinc/13/43/17/572134317.db2.gz	WANLCUODWKTSFY-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCCCCC[C@H](C)C[C@@H](C)[NH3+]	235150757	572137912	/nfs/dbraw/zinc/13/79/12/572137912.db2.gz	NGVHPIUDXDKTJX-NWDGAFQWSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCCCC[NH2+][C@H]1C[C@H]1CC	300375062	572141646	/nfs/dbraw/zinc/14/16/46/572141646.db2.gz	CNWGWZHZIDRAQV-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C#C[C@@H]([NH2+]CCCC(C)(C)C)C(C)C	300955576	572143904	/nfs/dbraw/zinc/14/39/04/572143904.db2.gz	XWEAZPYGMDVDRP-GFCCVEGCSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@H]([NH2+]CCCC(C)(C)C)C(C)C	300955577	572144154	/nfs/dbraw/zinc/14/41/54/572144154.db2.gz	XWEAZPYGMDVDRP-LBPRGKRZSA-N	1	0	195.350	3.060	10	30		AGEERO
C#CCC[NH2+]C(CC(C)C)CC(C)C	69767709	572144213	/nfs/dbraw/zinc/14/42/13/572144213.db2.gz	BFJWBZAXTYOZEZ-UHFFFAOYSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CCCCCC[C@H](C)[C@@H](C)[NH3+]	235154450	572147340	/nfs/dbraw/zinc/14/73/40/572147340.db2.gz	UJDITDJVROAUHP-WDEREUQCSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCCCC[C@@H](C)C[C@@H](C)[NH3+]	235156209	572159141	/nfs/dbraw/zinc/15/91/41/572159141.db2.gz	NGVHPIUDXDKTJX-VXGBXAGGSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCCCC[C@@H](C)[C@@H](C)[NH3+]	235160185	572172699	/nfs/dbraw/zinc/17/26/99/572172699.db2.gz	UJDITDJVROAUHP-GHMZBOCLSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C[C@@H]1C[C@H]1C1CC1	712915432	572183837	/nfs/dbraw/zinc/18/38/37/572183837.db2.gz	XPGAUBOVFKIREV-AGIUHOORSA-N	1	0	193.334	3.106	10	30		AGEERO
C#CC[C@H](CC)[NH2+]CCCC(C)(C)C	300966766	572185414	/nfs/dbraw/zinc/18/54/14/572185414.db2.gz	ZFFJKJWINOCMLR-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCC[C@H]1CC[C@@H]([NH2+]CCC)[C@H]1C	83034854	572186413	/nfs/dbraw/zinc/18/64/13/572186413.db2.gz	AEBWMNNKMBDGIB-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]1CC[C@H]([NH2+]CCC)[C@H]1C	83034866	572186549	/nfs/dbraw/zinc/18/65/49/572186549.db2.gz	AEBWMNNKMBDGIB-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]1CC[C@@H]([NH2+]CCC)[C@H]1C	83034861	572187558	/nfs/dbraw/zinc/18/75/58/572187558.db2.gz	AEBWMNNKMBDGIB-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]1CC[C@H]([NH2+]CC)[C@H]1C	83034397	572187593	/nfs/dbraw/zinc/18/75/93/572187593.db2.gz	ICZSLRYZTVOUJR-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@@H]1CC[C@H]([NH2+]CC)[C@H]1C	83034404	572187810	/nfs/dbraw/zinc/18/78/10/572187810.db2.gz	ICZSLRYZTVOUJR-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@@H]1CC[C@@H]([NH2+]CC)[C@H]1C	83034401	572187967	/nfs/dbraw/zinc/18/79/67/572187967.db2.gz	ICZSLRYZTVOUJR-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]1CC[C@@H]([NH2+]CC)[C@H]1C	83034392	572188066	/nfs/dbraw/zinc/18/80/66/572188066.db2.gz	ICZSLRYZTVOUJR-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)C1(C)CCCCC1	234402056	572188460	/nfs/dbraw/zinc/18/84/60/572188460.db2.gz	YAMLZSOTJOMEKG-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)c1c(C)cccc1C	234402143	572188538	/nfs/dbraw/zinc/18/85/38/572188538.db2.gz	PJZDJWYRBDRFDD-ZDUSSCGKSA-N	1	0	189.302	3.140	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@H](CC)[C@H]1C	83049147	572188554	/nfs/dbraw/zinc/18/85/54/572188554.db2.gz	IYGPENIOFZCJCG-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@]1(C[NH2+]CC)CC[C@@H](C)C1	317333925	572188704	/nfs/dbraw/zinc/18/87/04/572188704.db2.gz	WJRZQHSVXZOQDU-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@@H](CC)[C@H]1C	83049140	572188907	/nfs/dbraw/zinc/18/89/07/572188907.db2.gz	IYGPENIOFZCJCG-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@@H](CC)[C@H]1C	83049138	572189388	/nfs/dbraw/zinc/18/93/88/572189388.db2.gz	IYGPENIOFZCJCG-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@H](CC)[C@H]1C	83049139	572189886	/nfs/dbraw/zinc/18/98/86/572189886.db2.gz	IYGPENIOFZCJCG-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@]1(C[NH2+]CC)CC[C@H](C)C1	317333926	572189543	/nfs/dbraw/zinc/18/95/43/572189543.db2.gz	WJRZQHSVXZOQDU-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@]1(C[NH2+]CC)CC[C@@H](C)C1	317333924	572189894	/nfs/dbraw/zinc/18/98/94/572189894.db2.gz	WJRZQHSVXZOQDU-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])[C@H](C)CCCC	300971313	572191560	/nfs/dbraw/zinc/19/15/60/572191560.db2.gz	SAAMWLDFHMWPEG-GHMZBOCLSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])[C@@H](C)CCCC	300971319	572191677	/nfs/dbraw/zinc/19/16/77/572191677.db2.gz	SAAMWLDFHMWPEG-WDEREUQCSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@@H](C)CCCC	300971317	572191997	/nfs/dbraw/zinc/19/19/97/572191997.db2.gz	SAAMWLDFHMWPEG-QWRGUYRKSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@H](C)CCCC	300971315	572192516	/nfs/dbraw/zinc/19/25/16/572192516.db2.gz	SAAMWLDFHMWPEG-MNOVXSKESA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCC[C@@H]([NH2+]CCC)C1CCC1	83122743	572200434	/nfs/dbraw/zinc/20/04/34/572200434.db2.gz	LNKKPMJYNYAIRJ-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@@H](C)[NH2+]CCC1=CCCCC1	235182316	572201982	/nfs/dbraw/zinc/20/19/82/572201982.db2.gz	XWYYJIJFAJEWJZ-LLVKDONJSA-N	1	0	179.307	3.041	10	30		AGEERO
C=C[C@@H](C)[NH2+]CC1(C)CCCCC1	235184616	572202823	/nfs/dbraw/zinc/20/28/23/572202823.db2.gz	DKLZTBNECVPHMN-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
CC#CCC[C@H]([NH2+]C)[C@H](C)CCCC	300976366	572203015	/nfs/dbraw/zinc/20/30/15/572203015.db2.gz	SUEWZCRPQGPKMC-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
CC#CCC[C@@H]([NH2+]C)[C@@H](C)CCCC	300976368	572203174	/nfs/dbraw/zinc/20/31/74/572203174.db2.gz	SUEWZCRPQGPKMC-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
CC#CCC[C@H]([NH2+]C)[C@@H](C)CCCC	300976370	572203178	/nfs/dbraw/zinc/20/31/78/572203178.db2.gz	SUEWZCRPQGPKMC-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
CC#CCC[C@@H]([NH2+]C)[C@H](C)CCCC	300976363	572203652	/nfs/dbraw/zinc/20/36/52/572203652.db2.gz	SUEWZCRPQGPKMC-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)CC/C(C)=C/CC[NH2+]CC	393353203	572207881	/nfs/dbraw/zinc/20/78/81/572207881.db2.gz	AQEWPTPKNMGPMP-KPKJPENVSA-N	1	0	181.323	3.289	10	30		AGEERO
C=CCCC[C@H]1[NH2+]Cc2ccccc21	83389397	572207888	/nfs/dbraw/zinc/20/78/88/572207888.db2.gz	IMOHPXHRPNRCCD-CYBMUJFWSA-N	1	0	187.286	3.187	10	30		AGEERO
C=CCC[C@H]([NH2+]C)[C@H](C)CCCC	300979306	572209034	/nfs/dbraw/zinc/20/90/34/572209034.db2.gz	UAACTGILIIICLV-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
CCCC[NH+]=C1CCCCC1	36437710	572209053	/nfs/dbraw/zinc/20/90/53/572209053.db2.gz	WTKIOPVBAMLRQC-UHFFFAOYSA-N	1	0	153.269	3.192	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)[C@@H](C)CCCC	300979309	572209358	/nfs/dbraw/zinc/20/93/58/572209358.db2.gz	UAACTGILIIICLV-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]C)[C@@H](C)CCCC	300979311	572209911	/nfs/dbraw/zinc/20/99/11/572209911.db2.gz	UAACTGILIIICLV-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@H](C(C)C)CC1	83437135	572214533	/nfs/dbraw/zinc/21/45/33/572214533.db2.gz	UVMJVEKJGLXHKE-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@H]1CCC[C@H](C(C)C)CC1	83437133	572214886	/nfs/dbraw/zinc/21/48/86/572214886.db2.gz	UVMJVEKJGLXHKE-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@@H](C(C)C)CC1	83437134	572215192	/nfs/dbraw/zinc/21/51/92/572215192.db2.gz	UVMJVEKJGLXHKE-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1C=CCCCCC1	387493719	572215241	/nfs/dbraw/zinc/21/52/41/572215241.db2.gz	WUJOAHOERSLGTD-CYBMUJFWSA-N	1	0	193.334	3.431	10	30		AGEERO
C=C[C@@H](C)[NH2+]Cc1cc(C)c(C)s1	235196231	572220276	/nfs/dbraw/zinc/22/02/76/572220276.db2.gz	FRTHFEVZFHELMV-SECBINFHSA-N	1	0	195.331	3.029	10	30		AGEERO
CC[N@H+](CC#CC(C)(C)C)CC(C)C	687796877	572222905	/nfs/dbraw/zinc/22/29/05/572222905.db2.gz	YOOZOXAQXVLGEL-UHFFFAOYSA-N	1	0	195.350	3.014	10	30		AGEERO
C[NH2+][C@H](CC#CC(C)(C)C)C(C)(C)C	300731440	572222947	/nfs/dbraw/zinc/22/29/47/572222947.db2.gz	FUEVKZBOENRCLF-LLVKDONJSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)[C@H](C)CCCC	300987542	572225302	/nfs/dbraw/zinc/22/53/02/572225302.db2.gz	VJGLLUJASBTSPJ-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C#CCCCC[NH2+]C[C@@H](C)CC(C)C	300987351	572225477	/nfs/dbraw/zinc/22/54/77/572225477.db2.gz	VAFIKUWROIFOJB-ZDUSSCGKSA-N	1	0	195.350	3.062	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)[C@H](C)CCCC	300987547	572225999	/nfs/dbraw/zinc/22/59/99/572225999.db2.gz	VJGLLUJASBTSPJ-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)[C@@H](C)CCCC	300987545	572226051	/nfs/dbraw/zinc/22/60/51/572226051.db2.gz	VJGLLUJASBTSPJ-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)[C@@H](C)CCCC	300987544	572226142	/nfs/dbraw/zinc/22/61/42/572226142.db2.gz	VJGLLUJASBTSPJ-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
CCCCCCC/C=C(\C)C[NH3+]	393365326	572229034	/nfs/dbraw/zinc/22/90/34/572229034.db2.gz	CKDVBJNCROFYJD-PKNBQFBNSA-N	1	0	169.312	3.252	10	30		AGEERO
C=C[C@](C)(C[NH2+]C)C[C@H](C)CC(C)C	300937502	572231332	/nfs/dbraw/zinc/23/13/32/572231332.db2.gz	OJSNCDWEPMBXNV-OLZOCXBDSA-N	1	0	197.366	3.470	10	30		AGEERO
C=C(C)C[NH2+]CC[C@@H]1CCC[C@@H](C)C1	70532507	572234929	/nfs/dbraw/zinc/23/49/29/572234929.db2.gz	KACZLBCZGQZMII-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[NH2+]CC[C@@H]1CCC[C@H](C)C1	70532508	572235140	/nfs/dbraw/zinc/23/51/40/572235140.db2.gz	KACZLBCZGQZMII-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[NH2+]CC[C@H]1CCC[C@H](C)C1	70532506	572235194	/nfs/dbraw/zinc/23/51/94/572235194.db2.gz	KACZLBCZGQZMII-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[NH2+]CC[C@H]1CCC[C@@H](C)C1	70532505	572235690	/nfs/dbraw/zinc/23/56/90/572235690.db2.gz	KACZLBCZGQZMII-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[NH2+]CCC1CCC(C)CC1	70532621	572236257	/nfs/dbraw/zinc/23/62/57/572236257.db2.gz	QRBYONOFOLDTMW-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+]CCC1CCCC1	70591718	572239387	/nfs/dbraw/zinc/23/93/87/572239387.db2.gz	HZXHOLPMSQFUFH-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=CCC[NH2+]CC1CCC(CC)CC1	70591743	572239516	/nfs/dbraw/zinc/23/95/16/572239516.db2.gz	LCKNGSKFEGWWPY-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC[C@@H](C)[C@H]1C	70591447	572240009	/nfs/dbraw/zinc/24/00/09/572240009.db2.gz	XLLXOQWWKQOKID-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC[C@H](C)[C@H]1C	70591448	572240437	/nfs/dbraw/zinc/24/04/37/572240437.db2.gz	XLLXOQWWKQOKID-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1ccoc1Cl	236314024	572326478	/nfs/dbraw/zinc/32/64/78/572326478.db2.gz	HXMSTFVFLRCSRQ-SECBINFHSA-N	1	0	199.681	3.289	10	30		AGEERO
C=C/C=C/CC[C@@H](CC=C)[NH2+]CCC	713674616	572326547	/nfs/dbraw/zinc/32/65/47/572326547.db2.gz	YVPUURDAHXRACH-SBDDDAINSA-N	1	0	193.334	3.453	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@@H]([NH3+])C1	236313613	572326604	/nfs/dbraw/zinc/32/66/04/572326604.db2.gz	DCRCWUAFWPOYJA-VXGBXAGGSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C/C=C\CC[C@H](CC=C)[NH2+]CCC	713674624	572326914	/nfs/dbraw/zinc/32/69/14/572326914.db2.gz	YVPUURDAHXRACH-WSROAFLRSA-N	1	0	193.334	3.453	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])C1CCC1	236314300	572327596	/nfs/dbraw/zinc/32/75/96/572327596.db2.gz	ALIYBOUQRFQMRI-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1ccc(Cl)o1	236313938	572327867	/nfs/dbraw/zinc/32/78/67/572327867.db2.gz	NHNHVALXIGJQDB-MRVPVSSYSA-N	1	0	199.681	3.289	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])CC1CC1	236314502	572328004	/nfs/dbraw/zinc/32/80/04/572328004.db2.gz	BIWZHOSFNQNEGG-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C/C=C\CC[C@@H](CC=C)[NH2+]CCC	713674607	572328425	/nfs/dbraw/zinc/32/84/25/572328425.db2.gz	YVPUURDAHXRACH-MEJMFZKBSA-N	1	0	193.334	3.453	10	30		AGEERO
C=CCCCCC[C@H]1CC[C@@H]([NH3+])C1	236314476	572328694	/nfs/dbraw/zinc/32/86/94/572328694.db2.gz	DCRCWUAFWPOYJA-NWDGAFQWSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])CC=C	236314549	572328814	/nfs/dbraw/zinc/32/88/14/572328814.db2.gz	IEYPTDFZCWEAEI-NSHDSACASA-N	1	0	167.296	3.026	10	30		AGEERO
C=CCCCC1=C[C@@H]([NH3+])CC(C)(C)C1	83546818	572329084	/nfs/dbraw/zinc/32/90/84/572329084.db2.gz	DCTOUEKILCIILB-GFCCVEGCSA-N	1	0	193.334	3.416	10	30		AGEERO
CCCCCCCCC#C[C@@H](C)[NH3+]	238204505	572329851	/nfs/dbraw/zinc/32/98/51/572329851.db2.gz	XOGRKWLHGVKESY-GFCCVEGCSA-N	1	0	181.323	3.088	10	30		AGEERO
C=CCCCC1=C[C@H]([NH3+])CC(C)(C)C1	83546819	572330032	/nfs/dbraw/zinc/33/00/32/572330032.db2.gz	DCTOUEKILCIILB-LBPRGKRZSA-N	1	0	193.334	3.416	10	30		AGEERO
CCCCCCCCC#C[C@H](C)[NH3+]	238204564	572330095	/nfs/dbraw/zinc/33/00/95/572330095.db2.gz	XOGRKWLHGVKESY-LBPRGKRZSA-N	1	0	181.323	3.088	10	30		AGEERO
C=C[C@@H]([NH2+]C1CCCCC1)C(C)C	238203406	572331986	/nfs/dbraw/zinc/33/19/86/572331986.db2.gz	ODNRAFJBAWDMQN-GFCCVEGCSA-N	1	0	181.323	3.119	10	30		AGEERO
CCCCC#CC[C@@H](C)[NH2+]CCCC	238203613	572332760	/nfs/dbraw/zinc/33/27/60/572332760.db2.gz	KBTKIPQLMOOGNT-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@@H]1CCCC[C@@H]1C	307079937	572332781	/nfs/dbraw/zinc/33/27/81/572332781.db2.gz	RJCHQVYWKFTUDQ-TUAOUCFPSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CC[C@H](C[NH3+])CCCCCC	238205348	572333882	/nfs/dbraw/zinc/33/38/82/572333882.db2.gz	QWHKKUPSGDHHTH-NSHDSACASA-N	1	0	169.312	3.108	10	30		AGEERO
C=CCCCCC[C@H]1CCC[C@@H]1[NH3+]	236321519	572334353	/nfs/dbraw/zinc/33/43/53/572334353.db2.gz	UOEVJBIHQRBGSV-RYUDHWBXSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+]C(C)C	307981340	572336687	/nfs/dbraw/zinc/33/66/87/572336687.db2.gz	OWALVLFBQLYLHX-LLVKDONJSA-N	1	0	169.312	3.119	10	30		AGEERO
C#C[C@H]1CCC[C@@H](CCCCCC)[NH2+]1	238212800	572338192	/nfs/dbraw/zinc/33/81/92/572338192.db2.gz	FXKCXAQRDQCPDW-QWHCGFSZSA-N	1	0	193.334	3.101	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+]C(C)C	307981343	572338471	/nfs/dbraw/zinc/33/84/71/572338471.db2.gz	OWALVLFBQLYLHX-NSHDSACASA-N	1	0	169.312	3.119	10	30		AGEERO
C#C[C@@H]1CCC[C@@H](CCCCCC)[NH2+]1	238212695	572340817	/nfs/dbraw/zinc/34/08/17/572340817.db2.gz	FXKCXAQRDQCPDW-CHWSQXEVSA-N	1	0	193.334	3.101	10	30		AGEERO
CCCCCCCCC[C@H]([NH3+])C(C)=O	238214336	572341295	/nfs/dbraw/zinc/34/12/95/572341295.db2.gz	MAEPKMHQBMVAFL-LBPRGKRZSA-N	1	0	199.338	3.043	10	30		AGEERO
C#C/C=C/[NH2+]CCCCCCCCC	238212433	572341340	/nfs/dbraw/zinc/34/13/40/572341340.db2.gz	ZVOUYBRLXCRJKT-WUXMJOGZSA-N	1	0	193.334	3.474	10	30		AGEERO
C#C/C=C/[NH2+]CCCCCCCC	238215120	572341864	/nfs/dbraw/zinc/34/18/64/572341864.db2.gz	QNKSVPLSRZSMSH-IZZDOVSWSA-N	1	0	179.307	3.083	10	30		AGEERO
C=C[NH2+]CCCCCCCC	238215607	572341945	/nfs/dbraw/zinc/34/19/45/572341945.db2.gz	BBKOQEMWBQAIKR-UHFFFAOYSA-N	1	0	155.285	3.080	10	30		AGEERO
C=CCCCCCC1=C[C@@H]([NH3+])CC1	236324490	572342351	/nfs/dbraw/zinc/34/23/51/572342351.db2.gz	PMCVCQABIOYMIL-LBPRGKRZSA-N	1	0	179.307	3.170	10	30		AGEERO
CCCC/[NH+]=C\c1ccc(F)cc1	307980109	572343527	/nfs/dbraw/zinc/34/35/27/572343527.db2.gz	DEBZRGYWACVALE-LCYFTJDESA-N	1	0	179.238	3.045	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@H]([NH3+])C1	236329415	572345660	/nfs/dbraw/zinc/34/56/60/572345660.db2.gz	DCRCWUAFWPOYJA-NEPJUHHUSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CC(CC)(CC)[NH2+]C(C)(C)C	238216328	572344153	/nfs/dbraw/zinc/34/41/53/572344153.db2.gz	SSISICNFUGUNNZ-UHFFFAOYSA-N	1	0	169.312	3.119	10	30		AGEERO
C=CC[N@@H+](CCCC)[C@H](C)CC	307984258	572345606	/nfs/dbraw/zinc/34/56/06/572345606.db2.gz	QKZUQOLXHJCHDX-LLVKDONJSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[N@@H+](CCCC)[C@@H](C)CC	307984261	572348043	/nfs/dbraw/zinc/34/80/43/572348043.db2.gz	QKZUQOLXHJCHDX-NSHDSACASA-N	1	0	169.312	3.073	10	30		AGEERO
C=CCCCCC[C@@H]1CCC[C@@H]1[NH3+]	236331991	572349677	/nfs/dbraw/zinc/34/96/77/572349677.db2.gz	UOEVJBIHQRBGSV-NEPJUHHUSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C[C@@H]1CCC[C@@H](CCCCC)[NH2+]1	238219475	572350260	/nfs/dbraw/zinc/35/02/60/572350260.db2.gz	OTESKWNNPNSGNY-VXGBXAGGSA-N	1	0	181.323	3.263	10	30		AGEERO
CC#C[C@@H]1CCC[C@@H](CCCCC)[NH2+]1	238219424	572350089	/nfs/dbraw/zinc/35/00/89/572350089.db2.gz	SKRMJZRPIRXYNP-CHWSQXEVSA-N	1	0	193.334	3.101	10	30		AGEERO
C=C(Cl)C[NH2+][C@@H](CC)C(C)(C)C	307986209	572350242	/nfs/dbraw/zinc/35/02/42/572350242.db2.gz	RDUILAXFHLSHLK-VIFPVBQESA-N	1	0	189.730	3.153	10	30		AGEERO
C=CCCCC/C=C1/CC[C@H]([NH3+])C1	236331077	572350491	/nfs/dbraw/zinc/35/04/91/572350491.db2.gz	UHYQPNADGCNKPU-RDQDRAATSA-N	1	0	179.307	3.170	10	30		AGEERO
C=C(Cl)C[NH2+][C@H](CC)C(C)(C)C	307986206	572350747	/nfs/dbraw/zinc/35/07/47/572350747.db2.gz	RDUILAXFHLSHLK-SECBINFHSA-N	1	0	189.730	3.153	10	30		AGEERO
C=CCC[NH2+]Cc1cc(C)c(C)s1	83633453	572354681	/nfs/dbraw/zinc/35/46/81/572354681.db2.gz	RCRHXJJLPKAGKW-UHFFFAOYSA-N	1	0	195.331	3.031	10	30		AGEERO
C=CCCCCC[C@H]1CC[C@H]([NH3+])C1	236330267	572354997	/nfs/dbraw/zinc/35/49/97/572354997.db2.gz	DCRCWUAFWPOYJA-RYUDHWBXSA-N	1	0	181.323	3.250	10	30		AGEERO
CC#C[C@H]1CCC[C@@H](CCCCC)[NH2+]1	238219588	572355555	/nfs/dbraw/zinc/35/55/55/572355555.db2.gz	SKRMJZRPIRXYNP-QWHCGFSZSA-N	1	0	193.334	3.101	10	30		AGEERO
C=C[C@H]1CCC[C@@H](CCCCC)[NH2+]1	238219619	572356275	/nfs/dbraw/zinc/35/62/75/572356275.db2.gz	OTESKWNNPNSGNY-NWDGAFQWSA-N	1	0	181.323	3.263	10	30		AGEERO
CCCC[C@@H](C)[NH2+]CCC(C)(C)C#N	83638700	572358652	/nfs/dbraw/zinc/35/86/52/572358652.db2.gz	NOSXQWPUVRNRPB-LLVKDONJSA-N	1	0	196.338	3.095	10	30		AGEERO
CCC[C@H](CC)[NH2+]CCC(C)(C)C#N	83638694	572361254	/nfs/dbraw/zinc/36/12/54/572361254.db2.gz	QQNSUNWIAPKGDI-NSHDSACASA-N	1	0	196.338	3.095	10	30		AGEERO
CCCC[C@H](C)[NH2+]CCC(C)(C)C#N	83638701	572358957	/nfs/dbraw/zinc/35/89/57/572358957.db2.gz	NOSXQWPUVRNRPB-NSHDSACASA-N	1	0	196.338	3.095	10	30		AGEERO
CCC[C@@H](CC)[NH2+]CCC(C)(C)C#N	83638693	572359088	/nfs/dbraw/zinc/35/90/88/572359088.db2.gz	QQNSUNWIAPKGDI-LLVKDONJSA-N	1	0	196.338	3.095	10	30		AGEERO
CCCCCC[NH2+]CCC(C)(C)C#N	83638859	572361335	/nfs/dbraw/zinc/36/13/35/572361335.db2.gz	VAWBZFASRAKNAW-UHFFFAOYSA-N	1	0	196.338	3.096	10	30		AGEERO
CCC[C@H](C)[NH2+]CCCC(C)(C)C#N	83640698	572362404	/nfs/dbraw/zinc/36/24/04/572362404.db2.gz	KXWVYNRXMPGFAS-NSHDSACASA-N	1	0	196.338	3.095	10	30		AGEERO
CCC(C)(C)[NH2+]CCCC(C)(C)C#N	83640684	572362903	/nfs/dbraw/zinc/36/29/03/572362903.db2.gz	JSVKXKNTIDVNJM-UHFFFAOYSA-N	1	0	196.338	3.095	10	30		AGEERO
CCC(CC)[N@H+](C)CCC(C)(C)C#N	83640523	572363223	/nfs/dbraw/zinc/36/32/23/572363223.db2.gz	KXUZLIOCCOLQPD-UHFFFAOYSA-N	1	0	196.338	3.047	10	30		AGEERO
CCC(CC)[NH2+]CCCC(C)(C)C#N	83640690	572363105	/nfs/dbraw/zinc/36/31/05/572363105.db2.gz	SBKMMYCFXMTVRR-UHFFFAOYSA-N	1	0	196.338	3.095	10	30		AGEERO
CCC[C@@H](C)[NH2+]CCCC(C)(C)C#N	83640697	572363604	/nfs/dbraw/zinc/36/36/04/572363604.db2.gz	KXWVYNRXMPGFAS-LLVKDONJSA-N	1	0	196.338	3.095	10	30		AGEERO
CCCCC[NH2+]CCCC(C)(C)C#N	83640696	572363609	/nfs/dbraw/zinc/36/36/09/572363609.db2.gz	WXDVLWKMLUGPKT-UHFFFAOYSA-N	1	0	196.338	3.096	10	30		AGEERO
CCCCC[N@H+](C)CCC(C)(C)C#N	83640510	572363731	/nfs/dbraw/zinc/36/37/31/572363731.db2.gz	VDIJNZFDHUKAAB-UHFFFAOYSA-N	1	0	196.338	3.048	10	30		AGEERO
CCC(CC)=N[C@H](C)CC(C)(C)[NH2+]C	238221174	572371393	/nfs/dbraw/zinc/37/13/93/572371393.db2.gz	CSAFNNBRCHWYSH-SNVBAGLBSA-N	1	0	198.354	3.024	10	30		AGEERO
C=CCCCC/C=C/CCCC[NH3+]	307994296	572371920	/nfs/dbraw/zinc/37/19/20/572371920.db2.gz	VBZQFDSSMSCXJX-BQYQJAHWSA-N	1	0	181.323	3.418	10	30		AGEERO
C=CC[C@@H](C[NH3+])CCCCCC	238221807	572371925	/nfs/dbraw/zinc/37/19/25/572371925.db2.gz	QWHKKUPSGDHHTH-LLVKDONJSA-N	1	0	169.312	3.108	10	30		AGEERO
CCCCCCCC[C@]1(C)[NH2+]CCO1	238221750	572372434	/nfs/dbraw/zinc/37/24/34/572372434.db2.gz	ANSUWZLWKAXKQO-GFCCVEGCSA-N	1	0	199.338	3.073	10	30		AGEERO
CCC(CC)=N[C@@H](C)CC(C)(C)[NH2+]C	238221140	572374507	/nfs/dbraw/zinc/37/45/07/572374507.db2.gz	CSAFNNBRCHWYSH-JTQLQIEISA-N	1	0	198.354	3.024	10	30		AGEERO
C=CCCC[C@H](C)[C@H](C)[NH2+]C(C)C	87145937	572384924	/nfs/dbraw/zinc/38/49/24/572384924.db2.gz	YPEHSIPOARWALD-RYUDHWBXSA-N	1	0	183.339	3.365	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCCC12CCCC2	307189315	572384987	/nfs/dbraw/zinc/38/49/87/572384987.db2.gz	UFOFKBFGQQYWJC-GFCCVEGCSA-N	1	0	193.334	3.265	10	30		AGEERO
C=C(CC)C[C@@H](C)[C@@H](C)[NH2+]C(C)C	87145858	572385608	/nfs/dbraw/zinc/38/56/08/572385608.db2.gz	BXBXIZLKQRQJEK-VXGBXAGGSA-N	1	0	183.339	3.365	10	30		AGEERO
C=C[C@H]([NH2+]C)c1ccc(C)cc1Cl	234431851	572386298	/nfs/dbraw/zinc/38/62/98/572386298.db2.gz	YKDLKMWBCILUNA-NSHDSACASA-N	1	0	195.693	3.095	10	30		AGEERO
C#C[C@H]1CCC[C@H](CCCCCC)[NH2+]1	238226437	572388567	/nfs/dbraw/zinc/38/85/67/572388567.db2.gz	FXKCXAQRDQCPDW-STQMWFEESA-N	1	0	193.334	3.101	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCCC12CCCC2	307189316	572389028	/nfs/dbraw/zinc/38/90/28/572389028.db2.gz	UFOFKBFGQQYWJC-LBPRGKRZSA-N	1	0	193.334	3.265	10	30		AGEERO
C#C[C@@H]1CCC[C@H](CCCCCC)[NH2+]1	238226362	572389116	/nfs/dbraw/zinc/38/91/16/572389116.db2.gz	FXKCXAQRDQCPDW-OLZOCXBDSA-N	1	0	193.334	3.101	10	30		AGEERO
C=C[C@H]([NH2+]CCC)[C@H](C)CCCC	300948471	572399367	/nfs/dbraw/zinc/39/93/67/572399367.db2.gz	OSQVRQVJFMVMEN-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
CCCCCCC[C@@H]1[NH2+]C(C)(C)CO1	238231397	572400098	/nfs/dbraw/zinc/40/00/98/572400098.db2.gz	QNELTFQVWRHCLV-LLVKDONJSA-N	1	0	199.338	3.071	10	30		AGEERO
C=CC[C@@H]([NH3+])C1CCC(CC)CC1	83778272	572406322	/nfs/dbraw/zinc/40/63/22/572406322.db2.gz	XFFIYOUXEFPYCY-HTAVTVPLSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@H]([NH2+]C1CCCCC1)C(C)C	238792336	572406957	/nfs/dbraw/zinc/40/69/57/572406957.db2.gz	ODNRAFJBAWDMQN-LBPRGKRZSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@@H]([NH3+])C1CCCCCC1	83779455	572407517	/nfs/dbraw/zinc/40/75/17/572407517.db2.gz	AHDZNKRCUCFGCQ-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@@H]([NH3+])C1CCC(C)(C)CC1	83778744	572407555	/nfs/dbraw/zinc/40/75/55/572407555.db2.gz	AVFZQBAXKLLBBC-GFCCVEGCSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CC[C@@H]([NH2+]C)C1CCCCCC1	83779523	572407621	/nfs/dbraw/zinc/40/76/21/572407621.db2.gz	TWMVCTBCLSWIHY-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]([NH3+])C1CCC(C)(C)CC1	83778745	572408172	/nfs/dbraw/zinc/40/81/72/572408172.db2.gz	AVFZQBAXKLLBBC-LBPRGKRZSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CC[C@H]([NH2+]C)C1CCC(C)(C)CC1	83778771	572408366	/nfs/dbraw/zinc/40/83/66/572408366.db2.gz	CTLBJMZHTSOLIY-LBPRGKRZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]([NH3+])C1CCC(C(C)C)CC1	83780790	572408425	/nfs/dbraw/zinc/40/84/25/572408425.db2.gz	HDXFPFDVBDAOAJ-WXRRBKDZSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@@H]([NH2+]C)C1CCC(CC)CC1	83778320	572408489	/nfs/dbraw/zinc/40/84/89/572408489.db2.gz	PYADIGXRVFLLTQ-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]([NH2+]C)C1CCC(CC)CC1	83778321	572408669	/nfs/dbraw/zinc/40/86/69/572408669.db2.gz	PYADIGXRVFLLTQ-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]([NH3+])C1CCCCCC1	83779453	572408708	/nfs/dbraw/zinc/40/87/08/572408708.db2.gz	AHDZNKRCUCFGCQ-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CC[C@H]([NH2+]C)C1CCCCCC1	83779521	572408940	/nfs/dbraw/zinc/40/89/40/572408940.db2.gz	TWMVCTBCLSWIHY-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]([NH3+])C1CCC(CCC)CC1	83780583	572408984	/nfs/dbraw/zinc/40/89/84/572408984.db2.gz	YFGJEJQVDATWNP-WXRRBKDZSA-N	1	0	195.350	3.496	10	30		AGEERO
CCCCCCC[C@@]1(CC)[NH2+]CCO1	238232224	572409006	/nfs/dbraw/zinc/40/90/06/572409006.db2.gz	SPSLAUJGWFVHTP-LBPRGKRZSA-N	1	0	199.338	3.073	10	30		AGEERO
C=CC[C@H]([NH3+])C1CCC(CCC)CC1	83780585	572409233	/nfs/dbraw/zinc/40/92/33/572409233.db2.gz	YFGJEJQVDATWNP-BPCQOVAHSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CC[C@@H]([NH2+]C)C1CCC(C)(C)CC1	83778770	572409542	/nfs/dbraw/zinc/40/95/42/572409542.db2.gz	CTLBJMZHTSOLIY-GFCCVEGCSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]([NH3+])C1CCC(CC)CC1	83778310	572409773	/nfs/dbraw/zinc/40/97/73/572409773.db2.gz	MRYSLYGYVYYICL-WXRRBKDZSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CC[C@H]([NH3+])C1CCC(CC)CC1	83778273	572409901	/nfs/dbraw/zinc/40/99/01/572409901.db2.gz	XFFIYOUXEFPYCY-MCIGGMRASA-N	1	0	181.323	3.106	10	30		AGEERO
C=CC[C@H]([NH3+])C1CCC(C(C)C)CC1	83780791	572409999	/nfs/dbraw/zinc/40/99/99/572409999.db2.gz	HDXFPFDVBDAOAJ-BPCQOVAHSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CCCC[C@H]([NH2+]CCC)[C@@H]1C[C@@H]1C	83809601	572413818	/nfs/dbraw/zinc/41/38/18/572413818.db2.gz	CFGDGNBSAQFATF-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@]1(C[NH3+])CCCC[C@H]1C	307228316	572413410	/nfs/dbraw/zinc/41/34/10/572413410.db2.gz	XXDGCQSRSOLWME-NEPJUHHUSA-N	1	0	181.323	3.108	10	30		AGEERO
C=CCCC[C@H]([NH2+]CCC)[C@H]1C[C@@H]1C	83809603	572413490	/nfs/dbraw/zinc/41/34/90/572413490.db2.gz	CFGDGNBSAQFATF-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@]1(C[NH3+])CCCC[C@H]1C	307228319	572414146	/nfs/dbraw/zinc/41/41/46/572414146.db2.gz	XXDGCQSRSOLWME-VXGBXAGGSA-N	1	0	181.323	3.108	10	30		AGEERO
C=CC[C@H](C)Nc1cc(C)[nH+]c(C)c1	307226821	572414357	/nfs/dbraw/zinc/41/43/57/572414357.db2.gz	GDFFFFVAOQFRSW-VIFPVBQESA-N	1	0	190.290	3.075	10	30		AGEERO
CCCCNC(CC#N)=C(CC)CC	238236801	572415292	/nfs/dbraw/zinc/41/52/92/572415292.db2.gz	FWCCTOVSPOEKBY-UHFFFAOYSA-N	1	0	194.322	3.364	10	30		AGEERO
C=CC[C@H]([NH2+]CCC)[C@H]1CC[C@H](C)C1	83788909	572415166	/nfs/dbraw/zinc/41/51/66/572415166.db2.gz	MLJRQVYDPKLVKY-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCNC(C)=CC=[NH+]CCCC	238236895	572415466	/nfs/dbraw/zinc/41/54/66/572415466.db2.gz	HXHRSBBUOBPVSW-UHSWXSRBSA-N	1	0	196.338	3.151	10	30		AGEERO
C=C[C@@H](CC)[C@H]([NH2+]CCC)C(C)C	238794484	572415667	/nfs/dbraw/zinc/41/56/67/572415667.db2.gz	BMWTVWOFYWGDTQ-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(CC)C[NH2+]Cc1cscc1C	87310591	572415758	/nfs/dbraw/zinc/41/57/58/572415758.db2.gz	QQKBHOABCMOUDT-UHFFFAOYSA-N	1	0	195.331	3.112	10	30		AGEERO
C=CC[NH2+]CC1(CC(C)C)CCCC1	87309719	572415983	/nfs/dbraw/zinc/41/59/83/572415983.db2.gz	HAOOGFPAAFPMRM-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)[C@@H]1CC[C@H](C)C1	83788799	572416161	/nfs/dbraw/zinc/41/61/61/572416161.db2.gz	USPSEPVXVJLDEZ-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@H]1[NH2+]C(C)(C)CO1	238236742	572416315	/nfs/dbraw/zinc/41/63/15/572416315.db2.gz	QNELTFQVWRHCLV-NSHDSACASA-N	1	0	199.338	3.071	10	30		AGEERO
C=CC[C@H]([NH2+]CCC)[C@@H]1CC[C@H](C)C1	83788904	572416553	/nfs/dbraw/zinc/41/65/53/572416553.db2.gz	MLJRQVYDPKLVKY-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+]C1(C)CCCCCC1	307207571	572416662	/nfs/dbraw/zinc/41/66/62/572416662.db2.gz	MUDDGTGHSOOUTC-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=C[C@@H](C)C1(C[NH3+])CCCCCCC1	307288375	572416812	/nfs/dbraw/zinc/41/68/12/572416812.db2.gz	BVLDZRFOWCTRLT-GFCCVEGCSA-N	1	0	195.350	3.498	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)[C@H]1CC[C@H](C)C1	83788802	572416886	/nfs/dbraw/zinc/41/68/86/572416886.db2.gz	USPSEPVXVJLDEZ-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@]1(CC)[NH2+]CCO1	238237531	572417267	/nfs/dbraw/zinc/41/72/67/572417267.db2.gz	SPSLAUJGWFVHTP-GFCCVEGCSA-N	1	0	199.338	3.073	10	30		AGEERO
CCCCCCC[C@H]1CC[C@H](C)[NH2+]1	238236310	572417507	/nfs/dbraw/zinc/41/75/07/572417507.db2.gz	NRDCQBMNXFQANC-RYUDHWBXSA-N	1	0	183.339	3.487	10	30		AGEERO
CCCCCCC[C@H]1CC[C@@H](C)[NH2+]1	238236243	572417703	/nfs/dbraw/zinc/41/77/03/572417703.db2.gz	NRDCQBMNXFQANC-NEPJUHHUSA-N	1	0	183.339	3.487	10	30		AGEERO
C=CCCC[NH2+]Cc1cscc1C	87310768	572417720	/nfs/dbraw/zinc/41/77/20/572417720.db2.gz	BYWZNMQHIRYZOA-UHFFFAOYSA-N	1	0	195.331	3.112	10	30		AGEERO
C=CC(C)(C)[C@@H]([NH3+])CCCCC	238234197	572418227	/nfs/dbraw/zinc/41/82/27/572418227.db2.gz	NZMHHNCBOCTHLP-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=C[C@H](CC)[C@H]([NH2+]CCC)C(C)C	238794479	572418333	/nfs/dbraw/zinc/41/83/33/572418333.db2.gz	BMWTVWOFYWGDTQ-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C1CCC[N@@H+]([C@@H](C)CC(C)C)C1	307298572	572421299	/nfs/dbraw/zinc/42/12/99/572421299.db2.gz	UJNUFXHNBYNMQA-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
CC(C)(C)/[NH+]=C\Cc1ccccc1	308018024	572425548	/nfs/dbraw/zinc/42/55/48/572425548.db2.gz	KHZZIVMKOYAUOF-RAXLEYEMSA-N	1	0	175.275	3.098	10	30		AGEERO
C=C(C[NH2+]CCCC)CC(=C)C(=C)C	238238040	572426518	/nfs/dbraw/zinc/42/65/18/572426518.db2.gz	ZIBHMBDOFPHPRJ-UHFFFAOYSA-N	1	0	193.334	3.455	10	30		AGEERO
C=C[C@H](C)C1(C[NH3+])CCCCCCC1	307288376	572427040	/nfs/dbraw/zinc/42/70/40/572427040.db2.gz	BVLDZRFOWCTRLT-LBPRGKRZSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C1CCC[N@@H+]([C@H](C)CC(C)C)C1	307298562	572427842	/nfs/dbraw/zinc/42/78/42/572427842.db2.gz	UJNUFXHNBYNMQA-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC(=C)C(=C)C[NH2+]CCCC	238237998	572427964	/nfs/dbraw/zinc/42/79/64/572427964.db2.gz	ZZQDHWZIVDLBOO-UHFFFAOYSA-N	1	0	193.334	3.455	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)c1ccccc1	83824378	572429838	/nfs/dbraw/zinc/42/98/38/572429838.db2.gz	NMAGEPOPHSAZLW-CYBMUJFWSA-N	1	0	189.302	3.303	10	30		AGEERO
C=C[C@H]([NH2+]C)c1ccc2ccccc2c1	83823980	572430049	/nfs/dbraw/zinc/43/00/49/572430049.db2.gz	IHFKLCAVCKXJET-AWEZNQCLSA-N	1	0	197.281	3.286	10	30		AGEERO
C=CC[C@@]1(CCC)CCCCC[NH2+]1	83824015	572430459	/nfs/dbraw/zinc/43/04/59/572430459.db2.gz	MMMSTHLZPFQKIG-GFCCVEGCSA-N	1	0	181.323	3.265	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)c1ccccc1	83824377	572430651	/nfs/dbraw/zinc/43/06/51/572430651.db2.gz	NMAGEPOPHSAZLW-ZDUSSCGKSA-N	1	0	189.302	3.303	10	30		AGEERO
C=C[C@@H]([NH2+]C)c1ccc2ccccc2c1	83823981	572430836	/nfs/dbraw/zinc/43/08/36/572430836.db2.gz	IHFKLCAVCKXJET-CQSZACIVSA-N	1	0	197.281	3.286	10	30		AGEERO
C=CC[C@]1(CCC)CCCCC[NH2+]1	83824016	572431264	/nfs/dbraw/zinc/43/12/64/572431264.db2.gz	MMMSTHLZPFQKIG-LBPRGKRZSA-N	1	0	181.323	3.265	10	30		AGEERO
C=C(Cl)C[N@@H+]1CC[C@H]2CCCC[C@@H]21	307380070	572433155	/nfs/dbraw/zinc/43/31/55/572433155.db2.gz	ZQRGZUDSBKMLGV-MNOVXSKESA-N	1	0	199.725	3.003	10	30		AGEERO
C=CC[C@@H](C)Nc1cc(C)[nH+]c(C)c1	307226820	572433540	/nfs/dbraw/zinc/43/35/40/572433540.db2.gz	GDFFFFVAOQFRSW-SECBINFHSA-N	1	0	190.290	3.075	10	30		AGEERO
C=C[C@H](CC)[C@@H](/C=C/C)[NH2+]C(C)C	238799507	572434387	/nfs/dbraw/zinc/43/43/87/572434387.db2.gz	QXYWISDFESZNOW-BBBNCSCVSA-N	1	0	181.323	3.141	10	30		AGEERO
C=C[C@H](CC)[C@H]([NH2+]C)c1ccccc1	238799514	572436672	/nfs/dbraw/zinc/43/66/72/572436672.db2.gz	HYCIAUHROWYYDL-YPMHNXCESA-N	1	0	189.302	3.159	10	30		AGEERO
C=C[C@H](CC)[C@@H]([NH2+]CCC)C(C)C	238239631	572440510	/nfs/dbraw/zinc/44/05/10/572440510.db2.gz	BMWTVWOFYWGDTQ-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H](C[NH3+])CC1CCCCC1	238805494	572441802	/nfs/dbraw/zinc/44/18/02/572441802.db2.gz	HWFULLRXVWYABA-GFCCVEGCSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C[C@H]1CCC[C@H](CCCCC)[NH2+]1	238241542	572446511	/nfs/dbraw/zinc/44/65/11/572446511.db2.gz	OTESKWNNPNSGNY-RYUDHWBXSA-N	1	0	181.323	3.263	10	30		AGEERO
C=C(Cl)C[NH2+][C@@H](C)C[C@@H](C)CC	83864899	572446757	/nfs/dbraw/zinc/44/67/57/572446757.db2.gz	FKIASZPEWQIHQI-WPRPVWTQSA-N	1	0	189.730	3.153	10	30		AGEERO
CC#C[C@@H]1CCC[C@H](CCCCC)[NH2+]1	238241398	572446844	/nfs/dbraw/zinc/44/68/44/572446844.db2.gz	SKRMJZRPIRXYNP-OLZOCXBDSA-N	1	0	193.334	3.101	10	30		AGEERO
CC[C@@H](C)C[C@@H](C)[NH2+]CCCCC#N	83864724	572446934	/nfs/dbraw/zinc/44/69/34/572446934.db2.gz	QOJZFJGXKZPLEP-VXGBXAGGSA-N	1	0	196.338	3.095	10	30		AGEERO
C=C(Cl)C[NH2+][C@H](C)C[C@@H](C)CC	83864897	572447025	/nfs/dbraw/zinc/44/70/25/572447025.db2.gz	FKIASZPEWQIHQI-WCBMZHEXSA-N	1	0	189.730	3.153	10	30		AGEERO
CC[C@H](C)C[C@H](C)[NH2+]CCCCC#N	83864727	572447160	/nfs/dbraw/zinc/44/71/60/572447160.db2.gz	QOJZFJGXKZPLEP-RYUDHWBXSA-N	1	0	196.338	3.095	10	30		AGEERO
C=CCCC[NH2+][C@@H](C)C[C@H](C)CC	83864451	572447773	/nfs/dbraw/zinc/44/77/73/572447773.db2.gz	IHGXPNUGQZJHQT-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C[C@@H]1CCC[C@H](CCCCC)[NH2+]1	238241431	572447787	/nfs/dbraw/zinc/44/77/87/572447787.db2.gz	OTESKWNNPNSGNY-NEPJUHHUSA-N	1	0	181.323	3.263	10	30		AGEERO
CC[C@H](C)C[C@H](C)[NH2+][C@@H](CC)CC#N	83864807	572448246	/nfs/dbraw/zinc/44/82/46/572448246.db2.gz	GWRVCMCOVKAYBD-SRVKXCTJSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CCCC[NH2+][C@H](C)C[C@@H](C)CC	83864450	572448288	/nfs/dbraw/zinc/44/82/88/572448288.db2.gz	IHGXPNUGQZJHQT-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
CC[C@H](C)C[C@@H](C)[NH2+]CCCCC#N	83864725	572448783	/nfs/dbraw/zinc/44/87/83/572448783.db2.gz	QOJZFJGXKZPLEP-NWDGAFQWSA-N	1	0	196.338	3.095	10	30		AGEERO
CC[C@@H](C)C[C@H](C)[NH2+]CCCCC#N	83864726	572448834	/nfs/dbraw/zinc/44/88/34/572448834.db2.gz	QOJZFJGXKZPLEP-NEPJUHHUSA-N	1	0	196.338	3.095	10	30		AGEERO
CC#C[C@H]1CCC[C@H](CCCCC)[NH2+]1	238241506	572449187	/nfs/dbraw/zinc/44/91/87/572449187.db2.gz	SKRMJZRPIRXYNP-STQMWFEESA-N	1	0	193.334	3.101	10	30		AGEERO
CC[C@H](C)C[C@@H](C)[NH2+][C@@H](CC)CC#N	83864805	572449293	/nfs/dbraw/zinc/44/92/93/572449293.db2.gz	GWRVCMCOVKAYBD-TUAOUCFPSA-N	1	0	196.338	3.093	10	30		AGEERO
C=C(Cl)C[NH2+][C@@H](C)C[C@H](C)CC	83864898	572449856	/nfs/dbraw/zinc/44/98/56/572449856.db2.gz	FKIASZPEWQIHQI-SCZZXKLOSA-N	1	0	189.730	3.153	10	30		AGEERO
C=CCCC[NH2+][C@H](C)C[C@H](C)CC	83864449	572449944	/nfs/dbraw/zinc/44/99/44/572449944.db2.gz	IHGXPNUGQZJHQT-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
CCCCCC#CC[C@H]([NH2+]C)C(C)C	238244912	572452105	/nfs/dbraw/zinc/45/21/05/572452105.db2.gz	HNSQQIQJFDOKRH-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C[C@H]([C@@H](CCC)[NH2+]C)[Si](C)(C)C	238248052	572452677	/nfs/dbraw/zinc/45/26/77/572452677.db2.gz	YDPWHWAWNUYABD-GHMZBOCLSA-N	1	0	199.414	3.269	10	30		AGEERO
C#C/C=C\[NH2+]CCCCCCCC	308033399	572456246	/nfs/dbraw/zinc/45/62/46/572456246.db2.gz	QNKSVPLSRZSMSH-WDZFZDKYSA-N	1	0	179.307	3.083	10	30		AGEERO
C=C[C@H]([NH2+]CCC)c1cccc(C)c1	83945745	572458785	/nfs/dbraw/zinc/45/87/85/572458785.db2.gz	BCGMPOITPJMLER-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)C1CCCCC1	83945833	572458914	/nfs/dbraw/zinc/45/89/14/572458914.db2.gz	VGZKRWQIIJXTHG-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H]([C@H](CCC)[NH2+]C)[Si](C)(C)C	238255234	572459024	/nfs/dbraw/zinc/45/90/24/572459024.db2.gz	YDPWHWAWNUYABD-WDEREUQCSA-N	1	0	199.414	3.269	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1ccc(Cl)cc1	83944991	572459213	/nfs/dbraw/zinc/45/92/13/572459213.db2.gz	VZLSRKUOAUZZSQ-LLVKDONJSA-N	1	0	195.693	3.177	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1cccc(F)c1	83944966	572459881	/nfs/dbraw/zinc/45/98/81/572459881.db2.gz	HLKYXYXKZAJPHX-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1ccccc1C	83945722	572460600	/nfs/dbraw/zinc/46/06/00/572460600.db2.gz	OQXUHPOMUIXVKX-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C[C@H]([NH2+]CCC)c1ccc(C)cc1	83945236	572460608	/nfs/dbraw/zinc/46/06/08/572460608.db2.gz	XCRUBPVJHWTLQM-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C[C@H]([NH2+]C)c1ccc(C(C)C)cc1	83945054	572461067	/nfs/dbraw/zinc/46/10/67/572461067.db2.gz	GHUGEMXGDGWXFW-ZDUSSCGKSA-N	1	0	189.302	3.257	10	30		AGEERO
C=C[C@H]([NH2+]CCC)c1ccc(F)cc1	83944938	572462277	/nfs/dbraw/zinc/46/22/77/572462277.db2.gz	XAZMEHIFMGNQLT-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1cccc(C)c1	83945746	572461117	/nfs/dbraw/zinc/46/11/17/572461117.db2.gz	BCGMPOITPJMLER-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1ccc(F)cc1	83944940	572461282	/nfs/dbraw/zinc/46/12/82/572461282.db2.gz	XAZMEHIFMGNQLT-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1cccc(Cl)c1	83945252	572461506	/nfs/dbraw/zinc/46/15/06/572461506.db2.gz	DGJSWZGTSDEXFA-LLVKDONJSA-N	1	0	195.693	3.177	10	30		AGEERO
C=C[C@H]([NH2+]CCC)c1ccccc1C	83945720	572461826	/nfs/dbraw/zinc/46/18/26/572461826.db2.gz	OQXUHPOMUIXVKX-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1ccc(CC)cc1	83945472	572461900	/nfs/dbraw/zinc/46/19/00/572461900.db2.gz	VUQLMYWXWHSRIA-CYBMUJFWSA-N	1	0	189.302	3.086	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1ccccc1F	83947023	572465873	/nfs/dbraw/zinc/46/58/73/572465873.db2.gz	VCDDSXNRAGBOGT-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C[C@@H]([NH2+]CC)C1CCC(CC)CC1	83947906	572463562	/nfs/dbraw/zinc/46/35/62/572463562.db2.gz	URGSSMJVMXEJQT-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H]([NH2+]C)C1CCC(CCC)CC1	83947951	572463660	/nfs/dbraw/zinc/46/36/60/572463660.db2.gz	PDHAYZRARUMHHC-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H]([NH2+]CC)C1CCC(C)(C)CC1	83947923	572463751	/nfs/dbraw/zinc/46/37/51/572463751.db2.gz	RPFZGSQOLCWACN-GFCCVEGCSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H]([NH3+])C1CCC(CCC)CC1	83947947	572463867	/nfs/dbraw/zinc/46/38/67/572463867.db2.gz	GPIKWFAPMMWDAL-MCIGGMRASA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@H]([NH2+]CC)C1CCC(C)(C)CC1	83947922	572464030	/nfs/dbraw/zinc/46/40/30/572464030.db2.gz	RPFZGSQOLCWACN-LBPRGKRZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H]([NH3+])C1CCC(CCC)CC1	83947946	572464169	/nfs/dbraw/zinc/46/41/69/572464169.db2.gz	GPIKWFAPMMWDAL-HTAVTVPLSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@H]([NH2+]CC)C1CCCCCC1	83947938	572464256	/nfs/dbraw/zinc/46/42/56/572464256.db2.gz	CPNQDWZDJOQRMD-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@@H]([NH2+]C)C1CCC(CCC)CC1	83947950	572464352	/nfs/dbraw/zinc/46/43/52/572464352.db2.gz	PDHAYZRARUMHHC-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)C1CCC(C)CC1	83946661	572464373	/nfs/dbraw/zinc/46/43/73/572464373.db2.gz	FLZPYZJWSKMYBB-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H]([NH2+]C)c1cccc2ccccc12	83946815	572464712	/nfs/dbraw/zinc/46/47/12/572464712.db2.gz	QPFOCCKCRCNENR-CQSZACIVSA-N	1	0	197.281	3.286	10	30		AGEERO
C=C[C@H]([NH2+]CCC)[C@@H]1CC[C@H](CC)C1	83948078	572464761	/nfs/dbraw/zinc/46/47/61/572464761.db2.gz	NNCTXGSQJYDKFD-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H]([NH2+]CCC)[C@@H]1CCC[C@H](C)C1	83946640	572464851	/nfs/dbraw/zinc/46/48/51/572464851.db2.gz	USVULLRTDOWGAL-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1ccccc1Cl	83946686	572465230	/nfs/dbraw/zinc/46/52/30/572465230.db2.gz	QFYLWPRSOJDWJM-NSHDSACASA-N	1	0	195.693	3.177	10	30		AGEERO
C=C[C@H]([NH2+]CCC)C1CCC(C)CC1	83946660	572465247	/nfs/dbraw/zinc/46/52/47/572465247.db2.gz	FLZPYZJWSKMYBB-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H]([NH2+]C)c1cccc2ccccc12	83946814	572465265	/nfs/dbraw/zinc/46/52/65/572465265.db2.gz	QPFOCCKCRCNENR-AWEZNQCLSA-N	1	0	197.281	3.286	10	30		AGEERO
C=C[C@@H]([NH2+]CC)C1CCCCCC1	83947939	572465344	/nfs/dbraw/zinc/46/53/44/572465344.db2.gz	CPNQDWZDJOQRMD-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H]([NH2+]CC)C1CCC(CC)CC1	83947907	572465430	/nfs/dbraw/zinc/46/54/30/572465430.db2.gz	URGSSMJVMXEJQT-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H]([NH2+]C)C1CCC(C(C)C)CC1	83947967	572465712	/nfs/dbraw/zinc/46/57/12/572465712.db2.gz	DZXQGKLSHQAGLP-BPCQOVAHSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1ccccc1Cl	83946687	572465914	/nfs/dbraw/zinc/46/59/14/572465914.db2.gz	QFYLWPRSOJDWJM-LLVKDONJSA-N	1	0	195.693	3.177	10	30		AGEERO
C=C[C@H]([NH2+]CCC)[C@H]1CC[C@H](CC)C1	83948080	572465917	/nfs/dbraw/zinc/46/59/17/572465917.db2.gz	NNCTXGSQJYDKFD-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H]([NH2+]CCC)[C@H]1CCC[C@H](C)C1	83946642	572466034	/nfs/dbraw/zinc/46/60/34/572466034.db2.gz	USVULLRTDOWGAL-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)c1csc(C)c1C	307336259	572466707	/nfs/dbraw/zinc/46/67/07/572466707.db2.gz	BVHZRRIYGVPWDE-LLVKDONJSA-N	1	0	195.331	3.202	10	30		AGEERO
CCCCCC/[NH+]=C\c1ccc[nH]1	308037041	572466807	/nfs/dbraw/zinc/46/68/07/572466807.db2.gz	XTMMTLFTOCOZBD-BENRWUELSA-N	1	0	178.279	3.014	10	30		AGEERO
C=CC[NH2+]CC(C)(C)CCCCC	87399501	572467169	/nfs/dbraw/zinc/46/71/69/572467169.db2.gz	LOLGPSYTTJOSDZ-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
C#CCC[NH2+]CC(C)(C)CCCCC	87399468	572468329	/nfs/dbraw/zinc/46/83/29/572468329.db2.gz	RNXLBIVKOAYAAA-UHFFFAOYSA-N	1	0	195.350	3.206	10	30		AGEERO
CC#CC[NH2+]CC(C)(C)CCCCC	87399461	572469722	/nfs/dbraw/zinc/46/97/22/572469722.db2.gz	QCMBPSKQTMRDKQ-UHFFFAOYSA-N	1	0	195.350	3.206	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)c1csc(C)c1C	307336261	572474466	/nfs/dbraw/zinc/47/44/66/572474466.db2.gz	BVHZRRIYGVPWDE-NSHDSACASA-N	1	0	195.331	3.202	10	30		AGEERO
C=C(/C=C(/C)[C@@H]1CCCC[NH2+]1)CC	307325007	572474804	/nfs/dbraw/zinc/47/48/04/572474804.db2.gz	HXEOOOFTMHDHTD-MMRAYRKESA-N	1	0	179.307	3.041	10	30		AGEERO
C=C[C@@H](C)[C@H]([NH2+]CC)c1ccccc1	238262829	572477556	/nfs/dbraw/zinc/47/75/56/572477556.db2.gz	ARPYSXKMYCSXLR-YPMHNXCESA-N	1	0	189.302	3.159	10	30		AGEERO
C=C[C@H](C)[C@H]([NH2+]CC)c1ccccc1	238261468	572482830	/nfs/dbraw/zinc/48/28/30/572482830.db2.gz	ARPYSXKMYCSXLR-AAEUAGOBSA-N	1	0	189.302	3.159	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)c1c(C)cccc1C	234457350	572483598	/nfs/dbraw/zinc/48/35/98/572483598.db2.gz	PJZDJWYRBDRFDD-CYBMUJFWSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)C1(C)CCCCC1	234457263	572484652	/nfs/dbraw/zinc/48/46/52/572484652.db2.gz	YAMLZSOTJOMEKG-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(/C=C(/C)[C@H]1CCCC[NH2+]1)CC	307325014	572486703	/nfs/dbraw/zinc/48/67/03/572486703.db2.gz	HXEOOOFTMHDHTD-UCQJPZFISA-N	1	0	179.307	3.041	10	30		AGEERO
C=C[C@H]([NH3+])c1cccc(CCCC)c1	238265256	572487135	/nfs/dbraw/zinc/48/71/35/572487135.db2.gz	HVYJLIJIFHQRDG-ZDUSSCGKSA-N	1	0	189.302	3.215	10	30		AGEERO
C=CCCC[C@@H]1C=CC[C@@H](CCC)[NH2+]1	238265974	572489922	/nfs/dbraw/zinc/48/99/22/572489922.db2.gz	XNHHFOWLURLAER-CHWSQXEVSA-N	1	0	193.334	3.430	10	30		AGEERO
CC[NH+]=CNc1ccc2ccccc2c1	238266728	572490088	/nfs/dbraw/zinc/49/00/88/572490088.db2.gz	XQBRSBGWHTXEGG-UHFFFAOYSA-N	1	0	198.269	3.109	10	30		AGEERO
C=CCCC[C@H]1C=CC[C@@H](CCC)[NH2+]1	238266028	572490414	/nfs/dbraw/zinc/49/04/14/572490414.db2.gz	XNHHFOWLURLAER-OLZOCXBDSA-N	1	0	193.334	3.430	10	30		AGEERO
C=CCC(C)(/C=C/C[NH2+]CC)CC=C	238266596	572490736	/nfs/dbraw/zinc/49/07/36/572490736.db2.gz	WJULRJVYKDIHJE-DHZHZOJOSA-N	1	0	193.334	3.311	10	30		AGEERO
CC[NH+]=CNc1cccc2ccccc12	238266688	572492121	/nfs/dbraw/zinc/49/21/21/572492121.db2.gz	MHENDVSOBQJYOB-UHFFFAOYSA-N	1	0	198.269	3.109	10	30		AGEERO
C=C[C@@H]1CCC[C@]2(CC)CCC[NH2+][C@H]12	307400692	572492802	/nfs/dbraw/zinc/49/28/02/572492802.db2.gz	INBWJZDADJDRCV-JHJVBQTASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[C@H]1C=CC[C@H](CCC)[NH2+]1	238272390	572498146	/nfs/dbraw/zinc/49/81/46/572498146.db2.gz	XNHHFOWLURLAER-STQMWFEESA-N	1	0	193.334	3.430	10	30		AGEERO
C=CCCC[C@@H]1C=CC[C@H](CCC)[NH2+]1	238272287	572501721	/nfs/dbraw/zinc/50/17/21/572501721.db2.gz	XNHHFOWLURLAER-QWHCGFSZSA-N	1	0	193.334	3.430	10	30		AGEERO
C=CC[C@H]([NH3+])[C@@H](CCC)CC(C)C	308045185	572512966	/nfs/dbraw/zinc/51/29/66/572512966.db2.gz	FVMYOOQILHZYET-RYUDHWBXSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CC[C@@H]([NH3+])[C@H](CCC)CC(C)C	308045186	572512414	/nfs/dbraw/zinc/51/24/14/572512414.db2.gz	FVMYOOQILHZYET-VXGBXAGGSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CC[C@H]([NH3+])[C@H](CCC)CC(C)C	308045183	572512491	/nfs/dbraw/zinc/51/24/91/572512491.db2.gz	FVMYOOQILHZYET-NEPJUHHUSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CC[C@@H]([NH3+])[C@@H](CCC)CC(C)C	308045184	572513231	/nfs/dbraw/zinc/51/32/31/572513231.db2.gz	FVMYOOQILHZYET-NWDGAFQWSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)[C@@H]([NH3+])[C@H](CCC)CC(C)C	308049688	572517903	/nfs/dbraw/zinc/51/79/03/572517903.db2.gz	KDVSWLBJABWDHH-VXGBXAGGSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@@H](CCC)CC(C)C	308049687	572518235	/nfs/dbraw/zinc/51/82/35/572518235.db2.gz	KDVSWLBJABWDHH-RYUDHWBXSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)[C@@H]([NH3+])[C@@H](CCC)CC(C)C	308049686	572519276	/nfs/dbraw/zinc/51/92/76/572519276.db2.gz	KDVSWLBJABWDHH-NWDGAFQWSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@H](CCC)CC(C)C	308049685	572519605	/nfs/dbraw/zinc/51/96/05/572519605.db2.gz	KDVSWLBJABWDHH-NEPJUHHUSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(CC)CC1(C[NH2+]CC)CCC1	317343903	572532663	/nfs/dbraw/zinc/53/26/63/572532663.db2.gz	ZIBULPOOCLCCEA-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=CCCC/C=C/C[C@H]([NH3+])CC	238290494	572531469	/nfs/dbraw/zinc/53/14/69/572531469.db2.gz	RKKYPXISQKBPBN-ANYFNZRUSA-N	1	0	167.296	3.026	10	30		AGEERO
C=C[C@@H](CC)[C@H]([NH2+]C)c1ccccc1	238290489	572533717	/nfs/dbraw/zinc/53/37/17/572533717.db2.gz	HYCIAUHROWYYDL-AAEUAGOBSA-N	1	0	189.302	3.159	10	30		AGEERO
C=C[C@@H](CC)[C@@H]([NH2+]C)c1ccccc1	238290212	572533872	/nfs/dbraw/zinc/53/38/72/572533872.db2.gz	HYCIAUHROWYYDL-WCQYABFASA-N	1	0	189.302	3.159	10	30		AGEERO
CC#CC[C@H]([NH3+])[C@@H](CCC)CC(C)C	308056016	572539717	/nfs/dbraw/zinc/53/97/17/572539717.db2.gz	OQLTWDHSPCUSRG-STQMWFEESA-N	1	0	195.350	3.190	10	30		AGEERO
CC#CC[C@@H]([NH3+])[C@@H](CCC)CC(C)C	308056015	572539886	/nfs/dbraw/zinc/53/98/86/572539886.db2.gz	OQLTWDHSPCUSRG-QWHCGFSZSA-N	1	0	195.350	3.190	10	30		AGEERO
CC#CC[C@H]([NH3+])[C@H](CCC)CC(C)C	308056014	572539909	/nfs/dbraw/zinc/53/99/09/572539909.db2.gz	OQLTWDHSPCUSRG-OLZOCXBDSA-N	1	0	195.350	3.190	10	30		AGEERO
CC#CC[C@@H]([NH3+])[C@H](CCC)CC(C)C	308056013	572540037	/nfs/dbraw/zinc/54/00/37/572540037.db2.gz	OQLTWDHSPCUSRG-CHWSQXEVSA-N	1	0	195.350	3.190	10	30		AGEERO
CC#CC[C@@H]([NH2+]C)[C@H](CC)CC(C)C	308057867	572542654	/nfs/dbraw/zinc/54/26/54/572542654.db2.gz	DIEJKEQTVLKRBU-CHWSQXEVSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C[C@H](C)[N@@H+]1CCC[C@H](CC)CC1	307527552	572542786	/nfs/dbraw/zinc/54/27/86/572542786.db2.gz	SFTMCBLLZLMLEA-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
CC#CC[C@H]([NH2+]C)[C@H](CC)CC(C)C	308057869	572543428	/nfs/dbraw/zinc/54/34/28/572543428.db2.gz	DIEJKEQTVLKRBU-OLZOCXBDSA-N	1	0	195.350	3.060	10	30		AGEERO
CC#CC[C@H]([NH2+]C)[C@@H](CC)CC(C)C	308057873	572545158	/nfs/dbraw/zinc/54/51/58/572545158.db2.gz	DIEJKEQTVLKRBU-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
CC#CC[C@@H]([NH2+]C)[C@@H](CC)CC(C)C	308057871	572545336	/nfs/dbraw/zinc/54/53/36/572545336.db2.gz	DIEJKEQTVLKRBU-QWHCGFSZSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@H]1CC[C@H](CC)CC1	307500168	572548664	/nfs/dbraw/zinc/54/86/64/572548664.db2.gz	RTUKUKFHYWIOJS-SRVKXCTJSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CCCCC(C)(C)C[C@H](C)[NH3+]	84416161	572550409	/nfs/dbraw/zinc/55/04/09/572550409.db2.gz	APSAZUWKTJLUOI-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=CC1([C@@H]([NH2+]C)C(C)C)CCCCC1	238314359	572550805	/nfs/dbraw/zinc/55/08/05/572550805.db2.gz	KVSOQZBQVDGKJR-LBPRGKRZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H]([C@@H]([NH2+]C)C(C)C)[Si](C)(C)C	238314433	572551320	/nfs/dbraw/zinc/55/13/20/572551320.db2.gz	OSBALRXHBBRVJI-QWRGUYRKSA-N	1	0	199.414	3.125	10	30		AGEERO
C=C[C@@H]([NH3+])c1c(C)cccc1C(F)F	714021069	572552726	/nfs/dbraw/zinc/55/27/26/572552726.db2.gz	RPLSKRGFHSTIIZ-SECBINFHSA-N	1	0	197.228	3.118	10	30		AGEERO
C=C[C@@H](C)C1(C[NH3+])CCCCCC1	307504061	572552812	/nfs/dbraw/zinc/55/28/12/572552812.db2.gz	XXGMRLNTARWORY-LLVKDONJSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C[C@@H](C)[N@@H+]1CCC[C@@H](CC)CC1	307527557	572554197	/nfs/dbraw/zinc/55/41/97/572554197.db2.gz	SFTMCBLLZLMLEA-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@H+]1CCC[C@@](C)(CC)CC1	307518167	572554097	/nfs/dbraw/zinc/55/40/97/572554097.db2.gz	YHOHGLKKGUDRGR-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C#CC[C@H]([NH2+]C)[C@H](CCC)CC(C)C	308061920	572556282	/nfs/dbraw/zinc/55/62/82/572556282.db2.gz	VGRDRNSDDIZZFZ-OLZOCXBDSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C[C@@H]([NH3+])c1ccc(C)cc1C(F)F	714028816	572557027	/nfs/dbraw/zinc/55/70/27/572557027.db2.gz	NUZAAQVGWJVDOZ-SNVBAGLBSA-N	1	0	197.228	3.118	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1csc(C)c1	307571679	572558056	/nfs/dbraw/zinc/55/80/56/572558056.db2.gz	YEXOKGIMHIMHHK-SNVBAGLBSA-N	1	0	181.304	3.023	10	30		AGEERO
C#CC[C@H]([NH2+]C)[C@@H](CCC)CC(C)C	308061923	572560790	/nfs/dbraw/zinc/56/07/90/572560790.db2.gz	VGRDRNSDDIZZFZ-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
C=CCCCC[NH2+]C/C(C)=C/Cl	308063296	572562372	/nfs/dbraw/zinc/56/23/72/572562372.db2.gz	XKOSHWPWGVHTRQ-CSKARUKUSA-N	1	0	187.714	3.075	10	30		AGEERO
C=CCCCC[NH2+]C/C(C)=C\Cl	308063297	572562627	/nfs/dbraw/zinc/56/26/27/572562627.db2.gz	XKOSHWPWGVHTRQ-NTMALXAHSA-N	1	0	187.714	3.075	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)[C@@H](CC)CC(C)C	308063033	572563530	/nfs/dbraw/zinc/56/35/30/572563530.db2.gz	JBGPEDOTOHCPPX-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)[C@H](CC)CC(C)C	308063034	572564169	/nfs/dbraw/zinc/56/41/69/572564169.db2.gz	JBGPEDOTOHCPPX-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@]1([NH3+])CC[C@H](C(C)(C)C)CC1	306165750	572565641	/nfs/dbraw/zinc/56/56/41/572565641.db2.gz	IIAKPUCEBAZHTQ-AULYBMBSSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C[C@H](C)[N@@H+]1CCCC(C)(C)CC1	306150217	572567620	/nfs/dbraw/zinc/56/76/20/572567620.db2.gz	CKRCEHFMDKKXJH-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
CCCCCCCC[NH+]1CCC1	114548303	572568776	/nfs/dbraw/zinc/56/87/76/572568776.db2.gz	WUCWRYINZZDVKI-UHFFFAOYSA-N	1	0	169.312	3.053	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])[C@@H](CC)CC(C)C	308064866	572571652	/nfs/dbraw/zinc/57/16/52/572571652.db2.gz	LHLWONFRYCQQPW-NWDGAFQWSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])[C@H](CC)CC(C)C	308064868	572571778	/nfs/dbraw/zinc/57/17/78/572571778.db2.gz	LHLWONFRYCQQPW-VXGBXAGGSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@@H](CC)CC(C)C	308064867	572573272	/nfs/dbraw/zinc/57/32/72/572573272.db2.gz	LHLWONFRYCQQPW-RYUDHWBXSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CCC[C@H]([NH2+]CCC)C1(C)CC1	87553184	572576489	/nfs/dbraw/zinc/57/64/89/572576489.db2.gz	ZOYJDPWIBDSQOM-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CCC)C1(C)CC1	87553293	572576594	/nfs/dbraw/zinc/57/65/94/572576594.db2.gz	WVJFEIUHQGTKCO-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H](CC1CC1)[NH2+]CC	87582724	572580965	/nfs/dbraw/zinc/58/09/65/572580965.db2.gz	RHFPLTCOYVQRDT-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H]([NH2+]CCC)C1(C)CC1	87553186	572577083	/nfs/dbraw/zinc/57/70/83/572577083.db2.gz	ZOYJDPWIBDSQOM-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CCC)C1(C)CC1	87553291	572577457	/nfs/dbraw/zinc/57/74/57/572577457.db2.gz	WVJFEIUHQGTKCO-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H](CC1CC1)[NH2+]CC	87582924	572580016	/nfs/dbraw/zinc/58/00/16/572580016.db2.gz	QOXQYTZDVANFNS-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@@H](C)C1(C[NH3+])CCC(C)(C)CC1	306266626	572577931	/nfs/dbraw/zinc/57/79/31/572577931.db2.gz	PPHFOQMUWCAWBI-LLVKDONJSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CCC[C@@H](CC1CC1)[NH2+]CCC	87583067	572578264	/nfs/dbraw/zinc/57/82/64/572578264.db2.gz	WNYWAIJNGUDLEY-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[NH2+]CC(=C)Cl	236019848	572578322	/nfs/dbraw/zinc/57/83/22/572578322.db2.gz	DAJAOFVKIUNSNK-UHFFFAOYSA-N	1	0	187.714	3.075	10	30		AGEERO
C=C(CC)C[C@H](CC1CC1)[NH2+]CC	87582926	572578610	/nfs/dbraw/zinc/57/86/10/572578610.db2.gz	QOXQYTZDVANFNS-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C1CCC[N@@H+]([C@H](CC)C(C)C)C1	306298467	572579297	/nfs/dbraw/zinc/57/92/97/572579297.db2.gz	XTODZHHTAGPUAT-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[C@H](CC1CC1)[NH2+]CCC	87583120	572579726	/nfs/dbraw/zinc/57/97/26/572579726.db2.gz	GAZCMXSZQAZIQU-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](CC1CC1)[NH2+]CCC	87583069	572580810	/nfs/dbraw/zinc/58/08/10/572580810.db2.gz	WNYWAIJNGUDLEY-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(Cl)C[N@H+]1CC2(CCC2)C[C@@H]1C	306209907	572580943	/nfs/dbraw/zinc/58/09/43/572580943.db2.gz	CGPCLGSYLVKWSJ-JTQLQIEISA-N	1	0	199.725	3.003	10	30		AGEERO
C#CCCC[C@@H]([NH3+])[C@H](CC)CC(C)C	308066612	572581507	/nfs/dbraw/zinc/58/15/07/572581507.db2.gz	NGERMPHSSVTXNU-CHWSQXEVSA-N	1	0	195.350	3.190	10	30		AGEERO
C=C[C@@H]([NH2+]C)c1ccc(C)cc1Cl	234480412	572581528	/nfs/dbraw/zinc/58/15/28/572581528.db2.gz	YKDLKMWBCILUNA-LLVKDONJSA-N	1	0	195.693	3.095	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1csc(C)c1	307571678	572581733	/nfs/dbraw/zinc/58/17/33/572581733.db2.gz	YEXOKGIMHIMHHK-JTQLQIEISA-N	1	0	181.304	3.023	10	30		AGEERO
C#CCC[C@@H]([NH3+])[C@@H](CCC)CC(C)C	308067007	572581852	/nfs/dbraw/zinc/58/18/52/572581852.db2.gz	XZXWXGUUKODJAX-QWHCGFSZSA-N	1	0	195.350	3.190	10	30		AGEERO
C#C[C@H]([NH2+]CC)[C@@H](CCC)CC(C)C	308067074	572583209	/nfs/dbraw/zinc/58/32/09/572583209.db2.gz	ZQXDQNOLGGMAMT-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
C#CCCC[C@H]([NH3+])[C@@H](CC)CC(C)C	308066615	572583597	/nfs/dbraw/zinc/58/35/97/572583597.db2.gz	NGERMPHSSVTXNU-STQMWFEESA-N	1	0	195.350	3.190	10	30		AGEERO
C=C(Cl)C[N@H+]1CC2(CCC2)C[C@H]1C	306209908	572583903	/nfs/dbraw/zinc/58/39/03/572583903.db2.gz	CGPCLGSYLVKWSJ-SNVBAGLBSA-N	1	0	199.725	3.003	10	30		AGEERO
C#CCC[C@H]([NH3+])[C@H](CCC)CC(C)C	308067006	572584039	/nfs/dbraw/zinc/58/40/39/572584039.db2.gz	XZXWXGUUKODJAX-OLZOCXBDSA-N	1	0	195.350	3.190	10	30		AGEERO
C#CCC[C@@H]([NH3+])[C@H](CCC)CC(C)C	308067004	572584216	/nfs/dbraw/zinc/58/42/16/572584216.db2.gz	XZXWXGUUKODJAX-CHWSQXEVSA-N	1	0	195.350	3.190	10	30		AGEERO
C#C[C@@H]([NH2+]CC)[C@@H](CCC)CC(C)C	308067073	572584275	/nfs/dbraw/zinc/58/42/75/572584275.db2.gz	ZQXDQNOLGGMAMT-QWHCGFSZSA-N	1	0	195.350	3.060	10	30		AGEERO
C#CCCC[C@@H]([NH3+])[C@@H](CC)CC(C)C	308066614	572584341	/nfs/dbraw/zinc/58/43/41/572584341.db2.gz	NGERMPHSSVTXNU-QWHCGFSZSA-N	1	0	195.350	3.190	10	30		AGEERO
C#CCC[C@H]([NH3+])[C@@H](CCC)CC(C)C	308067009	572584372	/nfs/dbraw/zinc/58/43/72/572584372.db2.gz	XZXWXGUUKODJAX-STQMWFEESA-N	1	0	195.350	3.190	10	30		AGEERO
C#C[C@@H]([NH2+]CC)[C@H](CCC)CC(C)C	308067069	572584519	/nfs/dbraw/zinc/58/45/19/572584519.db2.gz	ZQXDQNOLGGMAMT-CHWSQXEVSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@H]([NH2+]CC)[C@H](CCC)CC(C)C	308067071	572584793	/nfs/dbraw/zinc/58/47/93/572584793.db2.gz	ZQXDQNOLGGMAMT-OLZOCXBDSA-N	1	0	195.350	3.060	10	30		AGEERO
C#CCCC[C@H]([NH3+])[C@H](CC)CC(C)C	308066613	572584809	/nfs/dbraw/zinc/58/48/09/572584809.db2.gz	NGERMPHSSVTXNU-OLZOCXBDSA-N	1	0	195.350	3.190	10	30		AGEERO
C=C(C)[C@@H]([NH3+])[C@H]1CC[C@H](CC)CC1	307500166	572584881	/nfs/dbraw/zinc/58/48/81/572584881.db2.gz	RTUKUKFHYWIOJS-IJLUTSLNSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(CC)CNc1[nH+]cc(C)cc1C	306206823	572588120	/nfs/dbraw/zinc/58/81/20/572588120.db2.gz	WNWDDJZMINEZLB-UHFFFAOYSA-N	1	0	190.290	3.077	10	30		AGEERO
C=C(C)C[N@@H+]1CCCCC(C)(C)C1	306279167	572589976	/nfs/dbraw/zinc/58/99/76/572589976.db2.gz	RHGJEXSYVJRXAF-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C[C@H](C)C1(C[NH3+])CCCCCC1	307504062	572594947	/nfs/dbraw/zinc/59/49/47/572594947.db2.gz	XXGMRLNTARWORY-NSHDSACASA-N	1	0	181.323	3.108	10	30		AGEERO
C=CCC[C@@H]([NH3+])[C@H](CC)CC(C)C	308070359	572595601	/nfs/dbraw/zinc/59/56/01/572595601.db2.gz	QTUKDWLXNBVLMY-VXGBXAGGSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C[C@H](C)[N@@H+]1CCC[C@@H](CC)CC1	307527547	572596538	/nfs/dbraw/zinc/59/65/38/572596538.db2.gz	SFTMCBLLZLMLEA-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@H]([NH3+])[C@H](CC)CC(C)C	308070356	572597203	/nfs/dbraw/zinc/59/72/03/572597203.db2.gz	QTUKDWLXNBVLMY-NEPJUHHUSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CCC[C@@H]([NH3+])[C@@H](CC)CC(C)C	308070357	572597524	/nfs/dbraw/zinc/59/75/24/572597524.db2.gz	QTUKDWLXNBVLMY-NWDGAFQWSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@H]1CC2CCC1CC2	307570292	572599683	/nfs/dbraw/zinc/59/96/83/572599683.db2.gz	ZMIBBWDDWGQESY-TYUFSLCMSA-N	1	0	193.334	3.106	10	30		AGEERO
C=C1CCC[N@@H+]([C@@H](CC)C(C)C)C1	306298468	572598447	/nfs/dbraw/zinc/59/84/47/572598447.db2.gz	XTODZHHTAGPUAT-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@H]([NH3+])[C@@H](CC)CC(C)C	308070358	572598563	/nfs/dbraw/zinc/59/85/63/572598563.db2.gz	QTUKDWLXNBVLMY-RYUDHWBXSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C[C@@H](C)[N@H+](C)C1CCC(C)CC1	306336011	572600031	/nfs/dbraw/zinc/60/00/31/572600031.db2.gz	GRJYOGRPVWLEBS-MOENNCHZSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C[C@H]([NH3+])c1c(C)cccc1C(F)F	714107334	572606867	/nfs/dbraw/zinc/60/68/67/572606867.db2.gz	RPLSKRGFHSTIIZ-VIFPVBQESA-N	1	0	197.228	3.118	10	30		AGEERO
C=CC[C@@H]([NH2+]C)[C@@H](CC)CC(C)C	308073070	572607273	/nfs/dbraw/zinc/60/72/73/572607273.db2.gz	SQTKYIAEXZAUOL-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H]([NH2+]C)[C@H](CC)CC(C)C	308073072	572607575	/nfs/dbraw/zinc/60/75/75/572607575.db2.gz	SQTKYIAEXZAUOL-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H]([NH2+]C)[C@H](CC)CC(C)C	308073069	572607796	/nfs/dbraw/zinc/60/77/96/572607796.db2.gz	SQTKYIAEXZAUOL-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C[C@H](C)[N@H+](C)[C@H]1CCC[C@@H](C)C1	306373267	572608410	/nfs/dbraw/zinc/60/84/10/572608410.db2.gz	KCARFGJNNBYKEE-WOPDTQHZSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C[C@H](C)[N@H+](C)[C@@H]1CCC[C@H](C)C1	306373264	572612448	/nfs/dbraw/zinc/61/24/48/572612448.db2.gz	KCARFGJNNBYKEE-SDDRHHMPSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C(C)CC1(C[NH3+])CCC(C)CC1	306386000	572615734	/nfs/dbraw/zinc/61/57/34/572615734.db2.gz	XXMSWBWMWZVCOE-UHFFFAOYSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C[C@@H](C)[N@H+](C)C1CCCCCC1	306315079	572616276	/nfs/dbraw/zinc/61/62/76/572616276.db2.gz	GMGYFLSMAALZCJ-LLVKDONJSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@@H]1CC2CCC1CC2	307570291	572616693	/nfs/dbraw/zinc/61/66/93/572616693.db2.gz	ZMIBBWDDWGQESY-TUUUFIMRSA-N	1	0	193.334	3.106	10	30		AGEERO
CC#CCCC1(C[NH3+])CCCCCC1	306377599	572618392	/nfs/dbraw/zinc/61/83/92/572618392.db2.gz	XKHOPJYBJLVUJE-UHFFFAOYSA-N	1	0	193.334	3.089	10	30		AGEERO
CC#CCC[C@@H]([NH3+])[C@@H](CC)CC(C)C	308080504	572627770	/nfs/dbraw/zinc/62/77/70/572627770.db2.gz	ZVMRGCWUOSUYEL-QWHCGFSZSA-N	1	0	195.350	3.190	10	30		AGEERO
CC#CCC[C@H]([NH3+])[C@@H](CC)CC(C)C	308080505	572628011	/nfs/dbraw/zinc/62/80/11/572628011.db2.gz	ZVMRGCWUOSUYEL-STQMWFEESA-N	1	0	195.350	3.190	10	30		AGEERO
CC#CCC[C@@H]([NH3+])[C@H](CC)CC(C)C	308080502	572628052	/nfs/dbraw/zinc/62/80/52/572628052.db2.gz	ZVMRGCWUOSUYEL-CHWSQXEVSA-N	1	0	195.350	3.190	10	30		AGEERO
C=CC[NH2+][C@@H]1C[C@H](C)c2ccccc21	306421704	572630414	/nfs/dbraw/zinc/63/04/14/572630414.db2.gz	DCZKHZRHEFBJPF-GXFFZTMASA-N	1	0	187.286	3.011	10	30		AGEERO
C=C(C)CC1(C[NH3+])CCCCCC1	307681334	572633040	/nfs/dbraw/zinc/63/30/40/572633040.db2.gz	XEPCYKLZLHOQHF-UHFFFAOYSA-N	1	0	181.323	3.252	10	30		AGEERO
C=C(CC)C[NH2+]C[C@H]1CCCC[C@@H]1C	85058091	572638296	/nfs/dbraw/zinc/63/82/96/572638296.db2.gz	NBQAMWYOSDVADA-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CCC)[C@@H]1C[C@@H]1C	85064421	572638655	/nfs/dbraw/zinc/63/86/55/572638655.db2.gz	YCBNWUJKPZNGTE-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+]C[C@@H]1CCCC[C@H]1C	85058094	572639480	/nfs/dbraw/zinc/63/94/80/572639480.db2.gz	NBQAMWYOSDVADA-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[NH2+][C@H]1C[C@H](C)c2ccccc21	306421698	572640474	/nfs/dbraw/zinc/64/04/74/572640474.db2.gz	DCZKHZRHEFBJPF-GWCFXTLKSA-N	1	0	187.286	3.011	10	30		AGEERO
C=C(CC)C[NH2+]CCC1CCCC1	85057597	572640245	/nfs/dbraw/zinc/64/02/45/572640245.db2.gz	LORQIMSJRBFONQ-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CCC)[C@H]1C[C@@H]1C	85064427	572640408	/nfs/dbraw/zinc/64/04/08/572640408.db2.gz	YCBNWUJKPZNGTE-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@@]1(C)CC[NH2+]1	91294768	572640562	/nfs/dbraw/zinc/64/05/62/572640562.db2.gz	UXIFEIJKWOPFQO-NSHDSACASA-N	1	0	169.312	3.099	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)[C@@H]1CC[C@H](C)C1	85064302	572640718	/nfs/dbraw/zinc/64/07/18/572640718.db2.gz	KCRQCWIKXILFNZ-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@]1(C)CC[NH2+]1	91294767	572640742	/nfs/dbraw/zinc/64/07/42/572640742.db2.gz	UXIFEIJKWOPFQO-LLVKDONJSA-N	1	0	169.312	3.099	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@H]1CC[C@H](C)C1	85064299	572641115	/nfs/dbraw/zinc/64/11/15/572641115.db2.gz	XDHBKYLZYOWNGI-SRVKXCTJSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@H](C)CCCC	300999143	572641156	/nfs/dbraw/zinc/64/11/56/572641156.db2.gz	XRAAPXGGHWPMAQ-NEPJUHHUSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(CC)C[NH2+][C@H](C)CCC(C)C	85058621	572642460	/nfs/dbraw/zinc/64/24/60/572642460.db2.gz	HKTCHOHUYHIQAO-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)[C@H]1CC[C@H](C)C1	85064309	572641840	/nfs/dbraw/zinc/64/18/40/572641840.db2.gz	KCRQCWIKXILFNZ-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@@H]1CC[C@H](C)C1	85064294	572642163	/nfs/dbraw/zinc/64/21/63/572642163.db2.gz	XDHBKYLZYOWNGI-TUAOUCFPSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(CC)C[NH2+]CCCCCC	85058674	572643167	/nfs/dbraw/zinc/64/31/67/572643167.db2.gz	XVFPRJYGKRPGLN-UHFFFAOYSA-N	1	0	169.312	3.123	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CC[C@@H](CC)[C@H]1C	85058863	572643276	/nfs/dbraw/zinc/64/32/76/572643276.db2.gz	FHXCHVBSBZFLHC-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+]C1C[C@@H](C)C[C@H](C)C1	85058803	572643281	/nfs/dbraw/zinc/64/32/81/572643281.db2.gz	WYQZLDXOPHUDBI-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@@H](C)C(CC)CC	85058600	572643621	/nfs/dbraw/zinc/64/36/21/572643621.db2.gz	VMOMKGZEQZIJTA-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@@H](C)C[C@H](C)CC	85058962	572643888	/nfs/dbraw/zinc/64/38/88/572643888.db2.gz	FJXHKXQKYBRODI-PWSUYJOCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@H](C)C[C@@H](C)CC	85058960	572643925	/nfs/dbraw/zinc/64/39/25/572643925.db2.gz	FJXHKXQKYBRODI-CMPLNLGQSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CC[C@H](CC)[C@H]1C	85058865	572644081	/nfs/dbraw/zinc/64/40/81/572644081.db2.gz	FHXCHVBSBZFLHC-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+]CC1CCC(C)CC1	85058524	572644256	/nfs/dbraw/zinc/64/42/56/572644256.db2.gz	CBZZVKPPRPCZSZ-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[NH2+][C@H](C)C[C@H](C)CC	85058955	572644265	/nfs/dbraw/zinc/64/42/65/572644265.db2.gz	FJXHKXQKYBRODI-ZYHUDNBSSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@H](CC)CC1CC1	85058647	572644303	/nfs/dbraw/zinc/64/43/03/572644303.db2.gz	QUKMBSHBKVJCHS-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[NH2+][C@@H](CC)CC1CC1	85058644	572644480	/nfs/dbraw/zinc/64/44/80/572644480.db2.gz	QUKMBSHBKVJCHS-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[NH2+]C1(C)CCCCC1	85058196	572644643	/nfs/dbraw/zinc/64/46/43/572644643.db2.gz	VANBACDJTTYMKY-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=C(CC)C[NH2+][C@@H](C)CCC(C)C	85058618	572644808	/nfs/dbraw/zinc/64/48/08/572644808.db2.gz	HKTCHOHUYHIQAO-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@H](C)C(CC)CC	85058597	572644902	/nfs/dbraw/zinc/64/49/02/572644902.db2.gz	VMOMKGZEQZIJTA-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CC[C@H](C)[C@H](C)C1	85058810	572645044	/nfs/dbraw/zinc/64/50/44/572645044.db2.gz	KOHXSZDBIVGHLU-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CC[C@@H](C)[C@H](C)C1	85058815	572645174	/nfs/dbraw/zinc/64/51/74/572645174.db2.gz	KOHXSZDBIVGHLU-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+]CC1(C)CCCC1	85058587	572645488	/nfs/dbraw/zinc/64/54/88/572645488.db2.gz	WUELPHBEESOZAG-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=C(CC)C[NH2+]CCC1=CCCCC1	85058343	572645504	/nfs/dbraw/zinc/64/55/04/572645504.db2.gz	AGSPOLJJDIAABR-UHFFFAOYSA-N	1	0	193.334	3.433	10	30		AGEERO
C=C(CC)C[NH2+][C@@H](C)C[C@@H](C)CC	85058966	572645549	/nfs/dbraw/zinc/64/55/49/572645549.db2.gz	FJXHKXQKYBRODI-JQWIXIFHSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1ccccc1C	85062239	572648407	/nfs/dbraw/zinc/64/84/07/572648407.db2.gz	TVHXIICWMALKTK-ZDUSSCGKSA-N	1	0	189.302	3.351	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1ccccc1F	85063307	572646738	/nfs/dbraw/zinc/64/67/38/572646738.db2.gz	FWPFDUSSYMHGAD-LBPRGKRZSA-N	1	0	193.265	3.182	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])CC(C)(C)C	85063440	572646813	/nfs/dbraw/zinc/64/68/13/572646813.db2.gz	UIAJGMXVAOTAGI-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])C1CCCCC1	85062258	572646890	/nfs/dbraw/zinc/64/68/90/572646890.db2.gz	UJANFAJWGLVTPZ-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CC)c1ccoc1	85063528	572646897	/nfs/dbraw/zinc/64/68/97/572646897.db2.gz	WYOCJPFWDAWJKG-GFCCVEGCSA-N	1	0	193.290	3.287	10	30		AGEERO
C=C(CC)C[C@@H](CC(C)(C)C)[NH2+]C	85063444	572646930	/nfs/dbraw/zinc/64/69/30/572646930.db2.gz	PNQPLNSTFLJPDU-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1ccccc1C	85062243	572646996	/nfs/dbraw/zinc/64/69/96/572646996.db2.gz	TVHXIICWMALKTK-CYBMUJFWSA-N	1	0	189.302	3.351	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CCC)C(C)C	85062529	572647025	/nfs/dbraw/zinc/64/70/25/572647025.db2.gz	WOILHQLYCVQOIX-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1ccc(C)cc1	85062113	572647088	/nfs/dbraw/zinc/64/70/88/572647088.db2.gz	ZLYJJTJVHBBXNZ-ZDUSSCGKSA-N	1	0	189.302	3.351	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1cccs1	85062083	572647102	/nfs/dbraw/zinc/64/71/02/572647102.db2.gz	YXOOZHGATJWFTD-VIFPVBQESA-N	1	0	181.304	3.104	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1ccc(F)cc1	85062033	572647114	/nfs/dbraw/zinc/64/71/14/572647114.db2.gz	MQVUEPSYGWOFSB-LBPRGKRZSA-N	1	0	193.265	3.182	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CCC)C1CC1	85062648	572647125	/nfs/dbraw/zinc/64/71/25/572647125.db2.gz	PTFITMNHNVSAAG-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CCC)C1CC1	85062645	572647187	/nfs/dbraw/zinc/64/71/87/572647187.db2.gz	PTFITMNHNVSAAG-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1ccccc1	85062221	572647211	/nfs/dbraw/zinc/64/72/11/572647211.db2.gz	AOWLRSYAYGVSBZ-GFCCVEGCSA-N	1	0	175.275	3.043	10	30		AGEERO
C=C(CC)C[C@H](CC(C)C)[NH2+]CC	85062489	572647239	/nfs/dbraw/zinc/64/72/39/572647239.db2.gz	XZSOUANNITUPRL-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H](CC(C)(C)C)[NH2+]C	85063447	572647254	/nfs/dbraw/zinc/64/72/54/572647254.db2.gz	PNQPLNSTFLJPDU-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CC)C1CCC1	85063667	572647264	/nfs/dbraw/zinc/64/72/64/572647264.db2.gz	MNFIOSUSZXNPRC-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CC)c1ccco1	85063184	572647272	/nfs/dbraw/zinc/64/72/72/572647272.db2.gz	YSOGWCKMBOYNTK-LLVKDONJSA-N	1	0	193.290	3.287	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1ccc(C)cc1	85062116	572647298	/nfs/dbraw/zinc/64/72/98/572647298.db2.gz	ZLYJJTJVHBBXNZ-CYBMUJFWSA-N	1	0	189.302	3.351	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)c1ccccc1	85062498	572647372	/nfs/dbraw/zinc/64/73/72/572647372.db2.gz	URKGQBGNKKMRJN-ZDUSSCGKSA-N	1	0	189.302	3.303	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)c1cccs1	85062089	572647488	/nfs/dbraw/zinc/64/74/88/572647488.db2.gz	UBOKXCZAUALMMG-SNVBAGLBSA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1ccsc1	85062164	572647559	/nfs/dbraw/zinc/64/75/59/572647559.db2.gz	PVDPSUFHFWYNTO-SNVBAGLBSA-N	1	0	181.304	3.104	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)c1ccccc1	85062499	572647645	/nfs/dbraw/zinc/64/76/45/572647645.db2.gz	URKGQBGNKKMRJN-CYBMUJFWSA-N	1	0	189.302	3.303	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CC)c1ccco1	85063181	572647679	/nfs/dbraw/zinc/64/76/79/572647679.db2.gz	YSOGWCKMBOYNTK-NSHDSACASA-N	1	0	193.290	3.287	10	30		AGEERO
C=CC(=C)C[NH2+][C@H](C)c1ccccc1	238379685	572647745	/nfs/dbraw/zinc/64/77/45/572647745.db2.gz	ASFNCAWSVBURSH-GFCCVEGCSA-N	1	0	187.286	3.079	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)c1ccsc1	85062395	572647756	/nfs/dbraw/zinc/64/77/56/572647756.db2.gz	SZWYVXVTDWRQBD-LLVKDONJSA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])CCC(C)C	85062875	572647762	/nfs/dbraw/zinc/64/77/62/572647762.db2.gz	LTLFQGKSAZRFMJ-NSHDSACASA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])CC(C)(C)C	85063441	572647808	/nfs/dbraw/zinc/64/78/08/572647808.db2.gz	UIAJGMXVAOTAGI-SNVBAGLBSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1cccc(C)c1	85062245	572647822	/nfs/dbraw/zinc/64/78/22/572647822.db2.gz	PSCIBWOWNRLJIG-ZDUSSCGKSA-N	1	0	189.302	3.351	10	30		AGEERO
C=C(CC)C[C@@H](CCC)[NH2+]CC	85062625	572647876	/nfs/dbraw/zinc/64/78/76/572647876.db2.gz	IWTWOJTYIVCDHQ-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C1CCCCC1	85062254	572647900	/nfs/dbraw/zinc/64/79/00/572647900.db2.gz	UJANFAJWGLVTPZ-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C(CC)C[C@@H](CC)[NH2+]CCC	85062577	572647940	/nfs/dbraw/zinc/64/79/40/572647940.db2.gz	SOZGTLKVBNCWMY-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@H]1CCC[C@H](C)C1	85063010	572647944	/nfs/dbraw/zinc/64/79/44/572647944.db2.gz	JQUGDKNTCPQSHN-AVGNSLFASA-N	1	0	195.350	3.496	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1cccc(F)c1	85062050	572647948	/nfs/dbraw/zinc/64/79/48/572647948.db2.gz	SBVPDZJJFSSKJU-LBPRGKRZSA-N	1	0	193.265	3.182	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CC)C1CCC1	85063670	572649086	/nfs/dbraw/zinc/64/90/86/572649086.db2.gz	MNFIOSUSZXNPRC-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1cccs1	85062087	572647961	/nfs/dbraw/zinc/64/79/61/572647961.db2.gz	YXOOZHGATJWFTD-SECBINFHSA-N	1	0	181.304	3.104	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)c1cccs1	85062088	572648162	/nfs/dbraw/zinc/64/81/62/572648162.db2.gz	UBOKXCZAUALMMG-JTQLQIEISA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)C1CCCC1	85062727	572648169	/nfs/dbraw/zinc/64/81/69/572648169.db2.gz	PCRXXTSJXUFHQD-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1ccccc1	85062218	572648194	/nfs/dbraw/zinc/64/81/94/572648194.db2.gz	AOWLRSYAYGVSBZ-LBPRGKRZSA-N	1	0	175.275	3.043	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CC)[C@@H](C)CC	85063407	572648314	/nfs/dbraw/zinc/64/83/14/572648314.db2.gz	XSQQGGVQTPQFDF-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CC)[C@@H](C)CC	85063402	572648440	/nfs/dbraw/zinc/64/84/40/572648440.db2.gz	XSQQGGVQTPQFDF-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1ccccc1F	85063310	572648541	/nfs/dbraw/zinc/64/85/41/572648541.db2.gz	FWPFDUSSYMHGAD-GFCCVEGCSA-N	1	0	193.265	3.182	10	30		AGEERO
C=C(CC)C[C@H](CCC(C)C)[NH2+]C	85062879	572648551	/nfs/dbraw/zinc/64/85/51/572648551.db2.gz	ZFOYUMYBYLWDHP-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1cccc(C)c1	85062247	572648595	/nfs/dbraw/zinc/64/85/95/572648595.db2.gz	PSCIBWOWNRLJIG-CYBMUJFWSA-N	1	0	189.302	3.351	10	30		AGEERO
C=C(CC)C[C@H](CC)[NH2+]CCC	85062575	572648655	/nfs/dbraw/zinc/64/86/55/572648655.db2.gz	SOZGTLKVBNCWMY-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)C1CCCC1	85062723	572648710	/nfs/dbraw/zinc/64/87/10/572648710.db2.gz	PCRXXTSJXUFHQD-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])CCC(C)C	85062872	572648884	/nfs/dbraw/zinc/64/88/84/572648884.db2.gz	LTLFQGKSAZRFMJ-LLVKDONJSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@@H](CCC(C)C)[NH2+]C	85062878	572648905	/nfs/dbraw/zinc/64/89/05/572648905.db2.gz	ZFOYUMYBYLWDHP-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C1CCC(C)CC1	85063041	572648921	/nfs/dbraw/zinc/64/89/21/572648921.db2.gz	NPSYRZMULCSSPJ-BPCQOVAHSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CC)C(C)(C)C	85062662	572648960	/nfs/dbraw/zinc/64/89/60/572648960.db2.gz	BZGLYPOJMKUOFT-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])C1CCC(C)CC1	85063045	572648991	/nfs/dbraw/zinc/64/89/91/572648991.db2.gz	NPSYRZMULCSSPJ-WXRRBKDZSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1ccc(F)cc1	85062036	572649034	/nfs/dbraw/zinc/64/90/34/572649034.db2.gz	MQVUEPSYGWOFSB-GFCCVEGCSA-N	1	0	193.265	3.182	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1cccc(F)c1	85062054	572649051	/nfs/dbraw/zinc/64/90/51/572649051.db2.gz	SBVPDZJJFSSKJU-GFCCVEGCSA-N	1	0	193.265	3.182	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CC)c1ccoc1	85063525	572649063	/nfs/dbraw/zinc/64/90/63/572649063.db2.gz	WYOCJPFWDAWJKG-LBPRGKRZSA-N	1	0	193.290	3.287	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CC)C(C)(C)C	85062665	572649198	/nfs/dbraw/zinc/64/91/98/572649198.db2.gz	BZGLYPOJMKUOFT-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1ccsc1	85062161	572649205	/nfs/dbraw/zinc/64/92/05/572649205.db2.gz	PVDPSUFHFWYNTO-JTQLQIEISA-N	1	0	181.304	3.104	10	30		AGEERO
C=C(CC)C[C@@H](CC(C)C)[NH2+]CC	85062484	572649311	/nfs/dbraw/zinc/64/93/11/572649311.db2.gz	XZSOUANNITUPRL-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)c1ccsc1	85062391	572649325	/nfs/dbraw/zinc/64/93/25/572649325.db2.gz	SZWYVXVTDWRQBD-NSHDSACASA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CC)[C@H](C)CC	85063405	572649329	/nfs/dbraw/zinc/64/93/29/572649329.db2.gz	XSQQGGVQTPQFDF-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@@H]1CCC[C@H](C)C1	85063006	572649338	/nfs/dbraw/zinc/64/93/38/572649338.db2.gz	JQUGDKNTCPQSHN-XQQFMLRXSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CCC)C(C)C	85062525	572649407	/nfs/dbraw/zinc/64/94/07/572649407.db2.gz	WOILHQLYCVQOIX-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H](CCC)[NH2+]CC	85062623	572649411	/nfs/dbraw/zinc/64/94/11/572649411.db2.gz	IWTWOJTYIVCDHQ-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CC)[C@H](C)CC	85063400	572649420	/nfs/dbraw/zinc/64/94/20/572649420.db2.gz	XSQQGGVQTPQFDF-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
CCCCCCC[NH2+]CCC1CC1	91306590	572649452	/nfs/dbraw/zinc/64/94/52/572649452.db2.gz	DADFAAMNZHXEHB-UHFFFAOYSA-N	1	0	183.339	3.347	10	30		AGEERO
C=C(CC)CCC[C@@H]([NH2+]C)C1CC1	85071063	572649804	/nfs/dbraw/zinc/64/98/04/572649804.db2.gz	LXIJHTSEUXSUPJ-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CCCC[NH2+]CC(C)C	85070939	572649905	/nfs/dbraw/zinc/64/99/05/572649905.db2.gz	VCIIVHGQDBVQCW-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
C=C(CC)CCC[C@@H]([NH3+])CCC	85070895	572649928	/nfs/dbraw/zinc/64/99/28/572649928.db2.gz	OBQLGYWLZPBZTB-NSHDSACASA-N	1	0	169.312	3.250	10	30		AGEERO
C=C(CC)C[C@@H]1CCC[C@H]1[NH2+]CC	85070582	572649957	/nfs/dbraw/zinc/64/99/57/572649957.db2.gz	JXEQKCYVKNEKSQ-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CCC[C@H]([NH3+])CCC	85070898	572649994	/nfs/dbraw/zinc/64/99/94/572649994.db2.gz	OBQLGYWLZPBZTB-LLVKDONJSA-N	1	0	169.312	3.250	10	30		AGEERO
C=C(CC)CC(C)(C)C[C@H](C)[NH2+]C	85071157	572650106	/nfs/dbraw/zinc/65/01/06/572650106.db2.gz	FPDYULPWLMKITB-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)CCC[C@@H]([NH3+])C(C)(C)C	85070922	572650107	/nfs/dbraw/zinc/65/01/07/572650107.db2.gz	LJAVMIOFIPBQKJ-LLVKDONJSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(CC)C[C@@H](C)C[C@@H](C)[NH2+]CC	85071136	572650129	/nfs/dbraw/zinc/65/01/29/572650129.db2.gz	KLGAKVDDBPFKAR-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]1CCC[C@@H]([NH2+]C)C1	85070983	572650466	/nfs/dbraw/zinc/65/04/66/572650466.db2.gz	TYUYPMGIBKBGQU-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1CCC[C@@H]1[NH2+]CC	85070580	572650469	/nfs/dbraw/zinc/65/04/69/572650469.db2.gz	JXEQKCYVKNEKSQ-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CCC[C@H](C)[NH2+]CC	85070950	572650230	/nfs/dbraw/zinc/65/02/30/572650230.db2.gz	IXLHSXQCELOSKT-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)CCC[C@@H](C)[NH2+]CC	85070947	572650258	/nfs/dbraw/zinc/65/02/58/572650258.db2.gz	IXLHSXQCELOSKT-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)C[C@@H](C)C[C@H](C)[NH2+]CC	85071139	572650269	/nfs/dbraw/zinc/65/02/69/572650269.db2.gz	KLGAKVDDBPFKAR-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)CC[C@@H](C)C[NH2+]CCC	85071100	572650274	/nfs/dbraw/zinc/65/02/74/572650274.db2.gz	FIDPNFOPYNSZAJ-GFCCVEGCSA-N	1	0	183.339	3.369	10	30		AGEERO
C=C(CC)C[C@H]1C[C@@H](CC)CC[NH2+]1	85070656	572650284	/nfs/dbraw/zinc/65/02/84/572650284.db2.gz	FKHQRPLYUBNUFG-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1CCC[C@H]([NH2+]C)C1	85070978	572650301	/nfs/dbraw/zinc/65/03/01/572650301.db2.gz	TYUYPMGIBKBGQU-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CCC[C@H]([NH3+])C(C)C	85070913	572650330	/nfs/dbraw/zinc/65/03/30/572650330.db2.gz	HJQSFMQCQMMVHH-NSHDSACASA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@@H]1CCCC[C@H]1[NH2+]C	85070566	572650355	/nfs/dbraw/zinc/65/03/55/572650355.db2.gz	FJUJDRSMQWJJHO-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CC(C)(C)C[C@@H](C)[NH3+]	85071152	572650358	/nfs/dbraw/zinc/65/03/58/572650358.db2.gz	CFQSUYMNWPDMFH-SNVBAGLBSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@H]1CC[C@H]([NH2+]CC)C1	85070965	572650529	/nfs/dbraw/zinc/65/05/29/572650529.db2.gz	NRUKZMNKLMPODW-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CCC[C@H]([NH3+])C(C)(C)C	85070920	572650743	/nfs/dbraw/zinc/65/07/43/572650743.db2.gz	LJAVMIOFIPBQKJ-NSHDSACASA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(CC)CCC[C@@H]([NH3+])C(C)C	85070915	572650751	/nfs/dbraw/zinc/65/07/51/572650751.db2.gz	HJQSFMQCQMMVHH-LLVKDONJSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)CCC[C@H]([NH2+]C)C1CC1	85071061	572650856	/nfs/dbraw/zinc/65/08/56/572650856.db2.gz	LXIJHTSEUXSUPJ-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1CC[C@H]([NH2+]CC)[C@@H]1C	85071188	572650932	/nfs/dbraw/zinc/65/09/32/572650932.db2.gz	BOJSEZSOHBVHFI-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[C@@H]1CCC[C@@H]([NH2+]C)C1	85070981	572651009	/nfs/dbraw/zinc/65/10/09/572651009.db2.gz	TYUYPMGIBKBGQU-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1CC[C@@H]([NH2+]CC)[C@@H]1C	85071192	572651093	/nfs/dbraw/zinc/65/10/93/572651093.db2.gz	BOJSEZSOHBVHFI-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)CC(C)(C)C[C@H](C)[NH3+]	85071154	572651327	/nfs/dbraw/zinc/65/13/27/572651327.db2.gz	CFQSUYMNWPDMFH-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)CCCC[NH2+]CCC	85070931	572651768	/nfs/dbraw/zinc/65/17/68/572651768.db2.gz	UFDNXTROMLLSTG-UHFFFAOYSA-N	1	0	169.312	3.123	10	30		AGEERO
C=C(CC)C[C@H]1CCC[C@@H]1[NH2+]CC	85070581	572651418	/nfs/dbraw/zinc/65/14/18/572651418.db2.gz	JXEQKCYVKNEKSQ-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CC[C@H](C)C[NH2+]C1CC1	85071107	572651455	/nfs/dbraw/zinc/65/14/55/572651455.db2.gz	YOZGDWHEQLUUAK-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1CC[C@H]([NH2+]CC)C1	85070963	572651481	/nfs/dbraw/zinc/65/14/81/572651481.db2.gz	NRUKZMNKLMPODW-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H]1CCC[C@H]1[NH2+]CC	85070583	572651485	/nfs/dbraw/zinc/65/14/85/572651485.db2.gz	JXEQKCYVKNEKSQ-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CC[C@@H](C)C[NH2+]C1CC1	85071106	572651493	/nfs/dbraw/zinc/65/14/93/572651493.db2.gz	YOZGDWHEQLUUAK-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CCCC[NH2+]C(C)C	85070933	572651522	/nfs/dbraw/zinc/65/15/22/572651522.db2.gz	KZZUJRHWZJZDBF-UHFFFAOYSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1C[C@H](CC)CC[NH2+]1	85070653	572651576	/nfs/dbraw/zinc/65/15/76/572651576.db2.gz	FKHQRPLYUBNUFG-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1C[C@@H](CC)CC[NH2+]1	85070654	572651635	/nfs/dbraw/zinc/65/16/35/572651635.db2.gz	FKHQRPLYUBNUFG-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CCC[C@H]([NH2+]C)C(C)C	85071049	572651654	/nfs/dbraw/zinc/65/16/54/572651654.db2.gz	KQNGQFYGEVSVCO-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)CCC[NH2+]C(C)(C)C	85070561	572651657	/nfs/dbraw/zinc/65/16/57/572651657.db2.gz	ANHWVAPCKZCPOL-UHFFFAOYSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)CCC[C@H](CC)[NH2+]C	85071036	572651666	/nfs/dbraw/zinc/65/16/66/572651666.db2.gz	AWNBYQQQGXQSTR-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)CC[C@H](C)C[NH2+]CCC	85071098	572651672	/nfs/dbraw/zinc/65/16/72/572651672.db2.gz	FIDPNFOPYNSZAJ-LBPRGKRZSA-N	1	0	183.339	3.369	10	30		AGEERO
C=C(CC)C[C@H]1CC[C@@H]([NH2+]CC)C1	85070968	572651720	/nfs/dbraw/zinc/65/17/20/572651720.db2.gz	NRUKZMNKLMPODW-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CC[C@H](C)C[NH2+]C(C)C	85071103	572651740	/nfs/dbraw/zinc/65/17/40/572651740.db2.gz	SDYYISMJGHGGOI-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H](C)C[C@@H](C)[NH2+]CC	85071138	572651750	/nfs/dbraw/zinc/65/17/50/572651750.db2.gz	KLGAKVDDBPFKAR-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)CC(C)(C)C[C@@H](C)[NH2+]C	85071156	572652056	/nfs/dbraw/zinc/65/20/56/572652056.db2.gz	FPDYULPWLMKITB-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]1CCCC[C@@H]1[NH2+]C	85070565	572652139	/nfs/dbraw/zinc/65/21/39/572652139.db2.gz	FJUJDRSMQWJJHO-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1CC[C@@H]([NH2+]CC)C1	85070966	572652167	/nfs/dbraw/zinc/65/21/67/572652167.db2.gz	NRUKZMNKLMPODW-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1CCCC[C@@H]1[NH2+]C	85070564	572652287	/nfs/dbraw/zinc/65/22/87/572652287.db2.gz	FJUJDRSMQWJJHO-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H](C)C[C@H](C)[NH2+]CC	85071142	572652370	/nfs/dbraw/zinc/65/23/70/572652370.db2.gz	KLGAKVDDBPFKAR-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)CCC[C@@H]([NH2+]C)C(C)C	85071051	572652462	/nfs/dbraw/zinc/65/24/62/572652462.db2.gz	KQNGQFYGEVSVCO-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)CC[C@@H](C)C[NH2+]C(C)C	85071102	572652516	/nfs/dbraw/zinc/65/25/16/572652516.db2.gz	SDYYISMJGHGGOI-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H]1CCC[C@H]([NH2+]C)C1	85070980	572652676	/nfs/dbraw/zinc/65/26/76/572652676.db2.gz	TYUYPMGIBKBGQU-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H]1CCCC[C@H]1[NH2+]C	85070567	572652730	/nfs/dbraw/zinc/65/27/30/572652730.db2.gz	FJUJDRSMQWJJHO-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)CCC[C@@H](CC)[NH2+]C	85071039	572652751	/nfs/dbraw/zinc/65/27/51/572652751.db2.gz	AWNBYQQQGXQSTR-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1cc(C)cs1	307631748	572661351	/nfs/dbraw/zinc/66/13/51/572661351.db2.gz	PJTSBNPAZFOPRQ-SECBINFHSA-N	1	0	181.304	3.023	10	30		AGEERO
C=C(C)C[NH2+]C1(C)CCC(C)CC1	307615074	572662929	/nfs/dbraw/zinc/66/29/29/572662929.db2.gz	MDRGYZJEJXMMES-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[NH2+][C@@H]1C[C@@H](C)c2ccccc21	306421715	572666208	/nfs/dbraw/zinc/66/62/08/572666208.db2.gz	DCZKHZRHEFBJPF-ZWNOBZJWSA-N	1	0	187.286	3.011	10	30		AGEERO
C=CC[NH2+][C@H]1C[C@@H](C)c2ccccc21	306421710	572667341	/nfs/dbraw/zinc/66/73/41/572667341.db2.gz	DCZKHZRHEFBJPF-MFKMUULPSA-N	1	0	187.286	3.011	10	30		AGEERO
C=C[C@@H](C)[N@@H+]1CCC[C@@](C)(CC)C1	306547045	572674082	/nfs/dbraw/zinc/67/40/82/572674082.db2.gz	FJDIMTRFTAQRSG-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC/C=C\CC(C)(C)[NH3+]	307866322	572678584	/nfs/dbraw/zinc/67/85/84/572678584.db2.gz	UKWABVKZPLAGLR-HJWRWDBZSA-N	1	0	167.296	3.026	10	30		AGEERO
C=C(Cl)C[N@@H+]1CCCC2(CCC2)C1	306522737	572682574	/nfs/dbraw/zinc/68/25/74/572682574.db2.gz	MGNWVDPVJQPNDF-UHFFFAOYSA-N	1	0	199.725	3.005	10	30		AGEERO
C=C[C@@H](C)[N@@H+]1CCC[C@](C)(CC)C1	306547040	572682763	/nfs/dbraw/zinc/68/27/63/572682763.db2.gz	FJDIMTRFTAQRSG-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C[C@H](C)[N@@H+]1CCC[C@@](C)(CC)C1	306547042	572685142	/nfs/dbraw/zinc/68/51/42/572685142.db2.gz	FJDIMTRFTAQRSG-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1cc(C)cs1	307631749	572690199	/nfs/dbraw/zinc/69/01/99/572690199.db2.gz	PJTSBNPAZFOPRQ-VIFPVBQESA-N	1	0	181.304	3.023	10	30		AGEERO
C=CCNc1[nH+]ccc2cccc(C)c12	74402062	572694671	/nfs/dbraw/zinc/69/46/71/572694671.db2.gz	UXFZLGQKJYECQI-UHFFFAOYSA-N	1	0	198.269	3.141	10	30		AGEERO
C#CC[C@@H]([NH2+]CC)[C@H](CC)CC(C)C	308096296	572700328	/nfs/dbraw/zinc/70/03/28/572700328.db2.gz	MZYVOYLWVVKENB-CHWSQXEVSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC/C=C(\C)C[C@@H]1CCCC[NH2+]1	308096091	572699438	/nfs/dbraw/zinc/69/94/38/572699438.db2.gz	VVUFXCWNSRMCAC-VNKGSWCUSA-N	1	0	179.307	3.041	10	30		AGEERO
C#CC[C@H]([NH2+]CC)[C@H](CC)CC(C)C	308096297	572699710	/nfs/dbraw/zinc/69/97/10/572699710.db2.gz	MZYVOYLWVVKENB-OLZOCXBDSA-N	1	0	195.350	3.060	10	30		AGEERO
C#CC[C@@H]([NH2+]CC)[C@@H](CC)CC(C)C	308096298	572700012	/nfs/dbraw/zinc/70/00/12/572700012.db2.gz	MZYVOYLWVVKENB-QWHCGFSZSA-N	1	0	195.350	3.060	10	30		AGEERO
C#CC[C@H]([NH2+]CC)[C@@H](CC)CC(C)C	308096299	572701024	/nfs/dbraw/zinc/70/10/24/572701024.db2.gz	MZYVOYLWVVKENB-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC/C=C(\C)C[C@H]1CCCC[NH2+]1	308096092	572701325	/nfs/dbraw/zinc/70/13/25/572701325.db2.gz	VVUFXCWNSRMCAC-YTRUQHMWSA-N	1	0	179.307	3.041	10	30		AGEERO
C=C[C@H](C)[N@@H+]1CCC[C@](C)(CC)C1	306547044	572702503	/nfs/dbraw/zinc/70/25/03/572702503.db2.gz	FJDIMTRFTAQRSG-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC/C=C\C[C@H]([NH3+])CC	307875844	572704235	/nfs/dbraw/zinc/70/42/35/572704235.db2.gz	RKKYPXISQKBPBN-TYBABMIJSA-N	1	0	167.296	3.026	10	30		AGEERO
C=CCCC/C=C\C[C@@H]([NH3+])CC	307875842	572705715	/nfs/dbraw/zinc/70/57/15/572705715.db2.gz	RKKYPXISQKBPBN-IQQGHNRFSA-N	1	0	167.296	3.026	10	30		AGEERO
C=CCC[C@H]([NH2+]C)C1CCC(C)CC1	70594817	572708255	/nfs/dbraw/zinc/70/82/55/572708255.db2.gz	JVTGHGXWZHRPCI-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C[C@@H](C)[NH3+])c1ccccc1	238425525	572708772	/nfs/dbraw/zinc/70/87/72/572708772.db2.gz	HKGDXWVGAOVOEO-DGCLKSJQSA-N	1	0	189.302	3.084	10	30		AGEERO
C=CC[C@@H](C[C@@H](C)[NH3+])c1ccccc1	238426290	572709531	/nfs/dbraw/zinc/70/95/31/572709531.db2.gz	HKGDXWVGAOVOEO-YPMHNXCESA-N	1	0	189.302	3.084	10	30		AGEERO
C=CC[C@H](C[C@H](C)[NH3+])c1ccccc1	238424340	572709552	/nfs/dbraw/zinc/70/95/52/572709552.db2.gz	HKGDXWVGAOVOEO-WCQYABFASA-N	1	0	189.302	3.084	10	30		AGEERO
C=CC[C@@H](C[C@H](C)[NH3+])c1ccccc1	238425205	572709779	/nfs/dbraw/zinc/70/97/79/572709779.db2.gz	HKGDXWVGAOVOEO-AAEUAGOBSA-N	1	0	189.302	3.084	10	30		AGEERO
C=CC(=C)C[NH2+][C@@H](C)c1ccccc1	238435967	572710201	/nfs/dbraw/zinc/71/02/01/572710201.db2.gz	ASFNCAWSVBURSH-LBPRGKRZSA-N	1	0	187.286	3.079	10	30		AGEERO
C=C1CCC[N@@H+]([C@H](C)[C@H](C)CC)C1	306695955	572716838	/nfs/dbraw/zinc/71/68/38/572716838.db2.gz	VTLGAYMRHLTCFV-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C1CCC[N@@H+]([C@@H](C)[C@@H](C)CC)C1	306695954	572719785	/nfs/dbraw/zinc/71/97/85/572719785.db2.gz	VTLGAYMRHLTCFV-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C[C@H]([NH3+])c1ccc2cccc(C)c2c1	238457376	572723055	/nfs/dbraw/zinc/72/30/55/572723055.db2.gz	SABXDLKTNXPUTR-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@H]([NH3+])c1cccc2c(C)cccc12	238454918	572723196	/nfs/dbraw/zinc/72/31/96/572723196.db2.gz	IMFRJJYKBZAITL-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C1C[C@@]1(CCCC[NH3+])[Si](C)(C)C	238451189	572723688	/nfs/dbraw/zinc/72/36/88/572723688.db2.gz	UZGDEQKQXJYUJT-LLVKDONJSA-N	1	0	197.398	3.154	10	30		AGEERO
C=C[C@@H]([NH3+])c1ccc2cccc(C)c2c1	238457430	572723764	/nfs/dbraw/zinc/72/37/64/572723764.db2.gz	SABXDLKTNXPUTR-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@@H]([NH3+])c1ccc2c(C)cccc2c1	238456941	572724065	/nfs/dbraw/zinc/72/40/65/572724065.db2.gz	VMOGZSZSXCFADY-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@H]([NH3+])c1ccc2c(C)cccc2c1	238456861	572724830	/nfs/dbraw/zinc/72/48/30/572724830.db2.gz	VMOGZSZSXCFADY-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@@H]([NH3+])c1cccc2c(C)cccc12	238454968	572725397	/nfs/dbraw/zinc/72/53/97/572725397.db2.gz	IMFRJJYKBZAITL-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@@H]([NH3+])c1cccc2cccc(C)c12	238457702	572725650	/nfs/dbraw/zinc/72/56/50/572725650.db2.gz	AKJXSMITAIVYAS-CYBMUJFWSA-N	1	0	197.281	3.334	10	30		AGEERO
C=CCCCCC/C=C/CC[NH3+]	236190682	572732261	/nfs/dbraw/zinc/73/22/61/572732261.db2.gz	SCIGVSFCXACDRV-CMDGGOBGSA-N	1	0	167.296	3.028	10	30		AGEERO
C#CC[C@H](CC)[NH2+]C[C@@H](C)CC(C)C	301004723	572732302	/nfs/dbraw/zinc/73/23/02/572732302.db2.gz	XQYGKYDIKPJUMX-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
C=C1CCC[N@@H+]([C@H](C)[C@@H](C)CC)C1	306695953	572734752	/nfs/dbraw/zinc/73/47/52/572734752.db2.gz	VTLGAYMRHLTCFV-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C[C@H](C)[NH+]1CCC(C)(CC)CC1	306632481	572737242	/nfs/dbraw/zinc/73/72/42/572737242.db2.gz	BVWQHEJCQXVDAA-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=C1CCC[N@@H+]([C@@H](C)[C@H](C)CC)C1	306695952	572738934	/nfs/dbraw/zinc/73/89/34/572738934.db2.gz	VTLGAYMRHLTCFV-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C[C@@H](C)[NH+]1CCC(C)(CC)CC1	306632480	572739621	/nfs/dbraw/zinc/73/96/21/572739621.db2.gz	BVWQHEJCQXVDAA-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC1(C[NH3+])CCC(C)(C)CC1	306706875	572742006	/nfs/dbraw/zinc/74/20/06/572742006.db2.gz	LEMHEMVDPMIOFX-UHFFFAOYSA-N	1	0	181.323	3.108	10	30		AGEERO
C=CCCCCC[C@H]1CC[C@@H]1C[NH3+]	236193542	572743001	/nfs/dbraw/zinc/74/30/01/572743001.db2.gz	JIHKZSWRWUBGJE-NWDGAFQWSA-N	1	0	181.323	3.108	10	30		AGEERO
CCCCCC[C@H](C)[NH2+][C@@H](C)CC#N	49202673	572745091	/nfs/dbraw/zinc/74/50/91/572745091.db2.gz	ZPLQXGAKYXUSDX-RYUDHWBXSA-N	1	0	196.338	3.237	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@@H]1C[NH3+]	236197926	572749031	/nfs/dbraw/zinc/74/90/31/572749031.db2.gz	JIHKZSWRWUBGJE-VXGBXAGGSA-N	1	0	181.323	3.108	10	30		AGEERO
C=CCCCCC[C@@H]1CCC[C@H]1C[NH3+]	236201085	572752281	/nfs/dbraw/zinc/75/22/81/572752281.db2.gz	MZAVPLYJTHSZQY-OLZOCXBDSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C[C@H]([NH3+])c1cc(C)c2ccccc2c1	238508708	572752766	/nfs/dbraw/zinc/75/27/66/572752766.db2.gz	GUKRHWHXWLLIID-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@H]([NH3+])c1cc(C)cc2ccccc12	238503820	572753496	/nfs/dbraw/zinc/75/34/96/572753496.db2.gz	RVFQBOYMUCULJL-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C(CC)C[C@H]1CCCCC[C@@H]1C[NH3+]	87944027	572755274	/nfs/dbraw/zinc/75/52/74/572755274.db2.gz	XMQWBIUMROZSAW-CHWSQXEVSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C(C)CC[C@@H](C[NH3+])c1ccccc1	87941816	572755678	/nfs/dbraw/zinc/75/56/78/572755678.db2.gz	CXKBFNKWBNYIQW-ZDUSSCGKSA-N	1	0	189.302	3.085	10	30		AGEERO
C=CC[C@H](C)Nc1[nH+]cc(C)cc1C	306771278	572755808	/nfs/dbraw/zinc/75/58/08/572755808.db2.gz	RKPKCATWBQGJGI-NSHDSACASA-N	1	0	190.290	3.075	10	30		AGEERO
C=CCCC[C@H]1CCCCC[C@@H]1C[NH3+]	87943876	572756342	/nfs/dbraw/zinc/75/63/42/572756342.db2.gz	ZTTYDBQFCVSKRD-QWHCGFSZSA-N	1	0	195.350	3.498	10	30		AGEERO
C=CCCC[C@@H]1CCCCC[C@@H]1C[NH3+]	87943874	572756371	/nfs/dbraw/zinc/75/63/71/572756371.db2.gz	ZTTYDBQFCVSKRD-CHWSQXEVSA-N	1	0	195.350	3.498	10	30		AGEERO
C=CCCC[C@H]1CCCC[C@@H]1C[NH3+]	87940899	572756484	/nfs/dbraw/zinc/75/64/84/572756484.db2.gz	PJOBMSSFVVOZSA-NWDGAFQWSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(C)C/C(C)=C\CC[NH2+]C1CC1	211734344	572756538	/nfs/dbraw/zinc/75/65/38/572756538.db2.gz	HXMSBRYYSLSWSR-WZUFQYTHSA-N	1	0	179.307	3.041	10	30		AGEERO
C=C[C@@H]([NH3+])c1cccc2cc(C)ccc12	238524012	572756576	/nfs/dbraw/zinc/75/65/76/572756576.db2.gz	KBDWYQROLHSCMN-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C(C)CC/C=C\CC[NH2+]C1CC1	308113354	572756629	/nfs/dbraw/zinc/75/66/29/572756629.db2.gz	RTOSWGFIYWQKMU-ARJAWSKDSA-N	1	0	179.307	3.041	10	30		AGEERO
C=C[C@@H]([NH3+])c1cc(C)cc2ccccc12	238519718	572757125	/nfs/dbraw/zinc/75/71/25/572757125.db2.gz	RVFQBOYMUCULJL-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=CCCC[C@@H]1CCCC[C@H]1C[NH3+]	87940900	572757117	/nfs/dbraw/zinc/75/71/17/572757117.db2.gz	PJOBMSSFVVOZSA-NEPJUHHUSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C[C@H]([NH3+])c1cc2ccccc2cc1C	238512390	572757203	/nfs/dbraw/zinc/75/72/03/572757203.db2.gz	BFDMPYDKNGRRQO-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@@H]([NH3+])c1cc(C)c2ccccc2c1	238520115	572757375	/nfs/dbraw/zinc/75/73/75/572757375.db2.gz	GUKRHWHXWLLIID-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@@H]([NH3+])c1cc2ccccc2cc1C	238512405	572757452	/nfs/dbraw/zinc/75/74/52/572757452.db2.gz	BFDMPYDKNGRRQO-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@H](C)[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]21	714303704	572757470	/nfs/dbraw/zinc/75/74/70/572757470.db2.gz	LBEOYAHGGOCXHW-ZDEQEGDKSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H]1CCCCC[C@H]1C[NH3+]	87943918	572757881	/nfs/dbraw/zinc/75/78/81/572757881.db2.gz	RYBCMOBLTIGQAG-NEPJUHHUSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C[C@H]([NH3+])c1cccc2cc(C)ccc12	238523929	572757807	/nfs/dbraw/zinc/75/78/07/572757807.db2.gz	KBDWYQROLHSCMN-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=CCC[C@@H]1C[C@@H](CC)CC[C@H]1C[NH3+]	87945269	572758895	/nfs/dbraw/zinc/75/88/95/572758895.db2.gz	HREDUWOBSMIEPV-XQQFMLRXSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CC[C@@H]1C[C@@H](CCC)CC[C@@H]1C[NH3+]	87945829	572759059	/nfs/dbraw/zinc/75/90/59/572759059.db2.gz	RZDAVWIYQRDKDG-YNEHKIRRSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CC[C@@H]1C[C@@H](CCC)CC[C@H]1C[NH3+]	87945833	572759881	/nfs/dbraw/zinc/75/98/81/572759881.db2.gz	RZDAVWIYQRDKDG-XQQFMLRXSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CCC[C@H]1CC(C)(C)CC[C@H]1C[NH3+]	87946463	572759919	/nfs/dbraw/zinc/75/99/19/572759919.db2.gz	UPMOYPKGMGTVJN-RYUDHWBXSA-N	1	0	195.350	3.354	10	30		AGEERO
C=C(C)C[C@@H]1C[C@@H](CC)CC[C@H]1C[NH3+]	87945518	572760070	/nfs/dbraw/zinc/76/00/70/572760070.db2.gz	CKSACROWXJXRQI-RWMBFGLXSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CCC[C@@H]1CC(C)(C)CC[C@H]1C[NH3+]	87946457	572760465	/nfs/dbraw/zinc/76/04/65/572760465.db2.gz	UPMOYPKGMGTVJN-NEPJUHHUSA-N	1	0	195.350	3.354	10	30		AGEERO
C=C(C)C[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH3+]	87945514	572760697	/nfs/dbraw/zinc/76/06/97/572760697.db2.gz	CKSACROWXJXRQI-YNEHKIRRSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CCC[C@H]([NH3+])CC(C)(C)C1CC1	405756535	572760822	/nfs/dbraw/zinc/76/08/22/572760822.db2.gz	UKUUZPWJELVRKM-NSHDSACASA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)C[C@@H]1C[C@H](CC)CC[C@H]1C[NH3+]	87945516	572761213	/nfs/dbraw/zinc/76/12/13/572761213.db2.gz	CKSACROWXJXRQI-FRRDWIJNSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CCCCC/C=C1\CCC[NH2+]C1	308120979	572761862	/nfs/dbraw/zinc/76/18/62/572761862.db2.gz	ILCQMIIMWBAGQY-XYOKQWHBSA-N	1	0	179.307	3.043	10	30		AGEERO
C=CCCC[C@H](C)CC[NH2+]C1CC1	87950531	572761944	/nfs/dbraw/zinc/76/19/44/572761944.db2.gz	PKIMYENLLJVAHM-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H](C)CC[NH2+]C1CC1	87950513	572762152	/nfs/dbraw/zinc/76/21/52/572762152.db2.gz	DHKIFDAVZSVFFW-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H](C)CC[NH2+]C(C)C	87950229	572763705	/nfs/dbraw/zinc/76/37/05/572763705.db2.gz	XVEWSFQXCOKWAX-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H](C)[C@H](C)C[NH2+]CCC	87952667	572765833	/nfs/dbraw/zinc/76/58/33/572765833.db2.gz	SWGJCHGYKRFMBN-NWDGAFQWSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CCC[C@@H](C)CC[NH2+]C(C)(C)C	87950833	572763520	/nfs/dbraw/zinc/76/35/20/572763520.db2.gz	JQGGELHJZWHLAE-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[C@H](C)CC[NH2+]C1CC1	87950514	572763648	/nfs/dbraw/zinc/76/36/48/572763648.db2.gz	DHKIFDAVZSVFFW-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H](C)CC[NH2+]C1CC1	87950532	572764012	/nfs/dbraw/zinc/76/40/12/572764012.db2.gz	PKIMYENLLJVAHM-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@@H](C)CC[NH2+]CCC	87949949	572764347	/nfs/dbraw/zinc/76/43/47/572764347.db2.gz	WQAZTEKKZAORSO-GFCCVEGCSA-N	1	0	183.339	3.369	10	30		AGEERO
C=C(C)C[C@@H](C)[C@H](C)C[NH2+]CCC	87952669	572765843	/nfs/dbraw/zinc/76/58/43/572765843.db2.gz	SWGJCHGYKRFMBN-VXGBXAGGSA-N	1	0	183.339	3.224	10	30		AGEERO
C=C(C)C[C@@H](C)CC[NH2+]CC(C)C	87950995	572765894	/nfs/dbraw/zinc/76/58/94/572765894.db2.gz	BFLLZNHLUJBKOF-LBPRGKRZSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CCC[C@H](C)CC[NH2+]CC(C)C	87951010	572765957	/nfs/dbraw/zinc/76/59/57/572765957.db2.gz	CPJNPTYDRREISK-LBPRGKRZSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CCCC[C@H](C)[C@@H](C)C[NH2+]CC	87952036	572766784	/nfs/dbraw/zinc/76/67/84/572766784.db2.gz	MGGPBNYWLVEUDP-RYUDHWBXSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)C[NH2+]C(C)(C)C	87953455	572767599	/nfs/dbraw/zinc/76/75/99/572767599.db2.gz	UDIADTPZVVZRSU-QWRGUYRKSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCC[C@H](C)[C@H](C)C[NH2+]C1CC1	87953249	572767924	/nfs/dbraw/zinc/76/79/24/572767924.db2.gz	LQTFMVSCUSWJDQ-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H](C)[C@@H](C)C[NH2+]CC(C)C	87953858	572768129	/nfs/dbraw/zinc/76/81/29/572768129.db2.gz	GDBPTXBAIFAMAP-OLZOCXBDSA-N	1	0	197.366	3.470	10	30		AGEERO
C=C(C)C[C@H](C)[C@H](C)C[NH2+]CC(C)C	87953839	572768229	/nfs/dbraw/zinc/76/82/29/572768229.db2.gz	LIIJIQWVRQNPGA-QWHCGFSZSA-N	1	0	197.366	3.470	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)C[NH2+]C(C)(C)C	87953458	572768550	/nfs/dbraw/zinc/76/85/50/572768550.db2.gz	UDIADTPZVVZRSU-GHMZBOCLSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(Cl)C[N@@H+]1CC[C@H]2CCCC[C@H]21	306768866	572768596	/nfs/dbraw/zinc/76/85/96/572768596.db2.gz	ZQRGZUDSBKMLGV-GHMZBOCLSA-N	1	0	199.725	3.003	10	30		AGEERO
C=C(C)C[C@@H](C)[C@H](C)C[NH2+]CC(C)C	87953841	572768763	/nfs/dbraw/zinc/76/87/63/572768763.db2.gz	LIIJIQWVRQNPGA-CHWSQXEVSA-N	1	0	197.366	3.470	10	30		AGEERO
C=C(CC)C[C@]1(CCC)CCC[NH2+]1	85700089	572769016	/nfs/dbraw/zinc/76/90/16/572769016.db2.gz	QZWYNHSPCRDTKI-LBPRGKRZSA-N	1	0	181.323	3.265	10	30		AGEERO
C=C(C)C[C@@H](C)[C@@H](C)C[NH2+]C(C)C	87953026	572769234	/nfs/dbraw/zinc/76/92/34/572769234.db2.gz	QUFNRLUCSFRVOA-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCC[C@]1(CCC)CCC[NH2+]1	85700201	572769251	/nfs/dbraw/zinc/76/92/51/572769251.db2.gz	OKFTZAMWVQSYEZ-GFCCVEGCSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CCCCCC/C(C)=C/CC[NH3+]	308123672	572769369	/nfs/dbraw/zinc/76/93/69/572769369.db2.gz	SZTORNOMFMVKPC-ZRDIBKRKSA-N	1	0	181.323	3.418	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)C[NH2+]C(C)(C)C	87953456	572769451	/nfs/dbraw/zinc/76/94/51/572769451.db2.gz	UDIADTPZVVZRSU-MNOVXSKESA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H](C)C[NH2+]C(C)(C)C	87953457	572769564	/nfs/dbraw/zinc/76/95/64/572769564.db2.gz	UDIADTPZVVZRSU-WDEREUQCSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)C[NH2+]CC(C)C	87953678	572769597	/nfs/dbraw/zinc/76/95/97/572769597.db2.gz	BSSULJWWNCTOOW-NEPJUHHUSA-N	1	0	183.339	3.080	10	30		AGEERO
CC#CC[C@H](C)[C@@H](C)C[NH2+]C(C)(C)C	87953632	572769648	/nfs/dbraw/zinc/76/96/48/572769648.db2.gz	ZOIXHXZPYNLJTR-RYUDHWBXSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(CC)C[C@H](C)[C@@H](C)C[NH2+]C1CC1	87953220	572769863	/nfs/dbraw/zinc/76/98/63/572769863.db2.gz	LYPXZBUOEARLBU-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@H](C)[C@H](C)C[NH2+]C(C)C	87953023	572770016	/nfs/dbraw/zinc/77/00/16/572770016.db2.gz	QUFNRLUCSFRVOA-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCC[C@@H](C)[C@H](C)C[NH2+]CC(C)C	87953857	572770039	/nfs/dbraw/zinc/77/00/39/572770039.db2.gz	GDBPTXBAIFAMAP-CHWSQXEVSA-N	1	0	197.366	3.470	10	30		AGEERO
C=C(C)C[C@@H](C)[C@@H](C)C[NH2+]CC(C)C	87953842	572770165	/nfs/dbraw/zinc/77/01/65/572770165.db2.gz	LIIJIQWVRQNPGA-OLZOCXBDSA-N	1	0	197.366	3.470	10	30		AGEERO
C=CC[C@H](C)[C@H](C)C[NH2+]CC(C)C	87953675	572770192	/nfs/dbraw/zinc/77/01/92/572770192.db2.gz	BSSULJWWNCTOOW-NWDGAFQWSA-N	1	0	183.339	3.080	10	30		AGEERO
C=CCCC[C@@H](C)[C@@H](C)C[NH2+]C1CC1	87953248	572770266	/nfs/dbraw/zinc/77/02/66/572770266.db2.gz	LQTFMVSCUSWJDQ-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]1CC[C@H]1C[NH2+]C(C)C	87955906	572771688	/nfs/dbraw/zinc/77/16/88/572771688.db2.gz	ATFYPZCIUVAEDL-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[C@H]1CC[C@H]1C[NH2+]CCC	87955518	572771665	/nfs/dbraw/zinc/77/16/65/572771665.db2.gz	CXXVJBMTLOTPOJ-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
CCCCCCC[C@@](C)([NH3+])C1CC1	257363180	572770552	/nfs/dbraw/zinc/77/05/52/572770552.db2.gz	WQJWYAWHWFPYHO-GFCCVEGCSA-N	1	0	183.339	3.474	10	30		AGEERO
C=CCCC[C@@H]1CC[C@@H]1C[NH2+]CCC	87955549	572770690	/nfs/dbraw/zinc/77/06/90/572770690.db2.gz	ADRJHFQUYDUFRE-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@H]1CC[C@H]1C[NH2+]CC(C)C	87956870	572770700	/nfs/dbraw/zinc/77/07/00/572770700.db2.gz	RRZFUWPHYJEVRQ-OLZOCXBDSA-N	1	0	195.350	3.224	10	30		AGEERO
C=C(CC)C[C@H]1CC[C@@H]1C[NH2+]C1CC1	87956239	572770862	/nfs/dbraw/zinc/77/08/62/572770862.db2.gz	IIANTEFZZNFHOK-VXGBXAGGSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(CC)C[C@@H]1CC[C@@H]1C[NH2+]C(C)C	87955878	572771693	/nfs/dbraw/zinc/77/16/93/572771693.db2.gz	OLVDWTRTNFYOKN-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@H]1CC[C@@H]1C[NH2+]CC(C)C	87956871	572771191	/nfs/dbraw/zinc/77/11/91/572771191.db2.gz	RRZFUWPHYJEVRQ-CHWSQXEVSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CCCC[C@H]1CC[C@@H]1C[NH2+]C1CC1	87956267	572771092	/nfs/dbraw/zinc/77/10/92/572771092.db2.gz	PYPSNXKVFCHWAD-NWDGAFQWSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[C@H]1CC[C@@H]1C[NH2+]C(C)C	87955907	572771293	/nfs/dbraw/zinc/77/12/93/572771293.db2.gz	ATFYPZCIUVAEDL-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]1CC[C@H]1C[NH2+]CC(C)C	87956872	572771412	/nfs/dbraw/zinc/77/14/12/572771412.db2.gz	RRZFUWPHYJEVRQ-STQMWFEESA-N	1	0	195.350	3.224	10	30		AGEERO
C=C(CC)C[C@H]1CC[C@@H]1C[NH2+]C(C)C	87955879	572771459	/nfs/dbraw/zinc/77/14/59/572771459.db2.gz	OLVDWTRTNFYOKN-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@@]1(CCC)CCC[NH2+]1	85700198	572771483	/nfs/dbraw/zinc/77/14/83/572771483.db2.gz	OKFTZAMWVQSYEZ-LBPRGKRZSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CCCC[C@@H]1CC[C@H]1C[NH2+]CCC	87955548	572771578	/nfs/dbraw/zinc/77/15/78/572771578.db2.gz	ADRJHFQUYDUFRE-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[C@H]1CC[C@H]1C[NH2+]C1CC1	87956269	572771744	/nfs/dbraw/zinc/77/17/44/572771744.db2.gz	PYPSNXKVFCHWAD-RYUDHWBXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)C[C@@H]1CC[C@@H]1C[NH2+]C(C)(C)C	87956646	572771838	/nfs/dbraw/zinc/77/18/38/572771838.db2.gz	APRVZMCNHMEYQZ-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]1CC[C@H]1C[NH2+]CCC	87955546	572771868	/nfs/dbraw/zinc/77/18/68/572771868.db2.gz	ADRJHFQUYDUFRE-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@@H]1CC[C@H]1C[NH2+]C(C)(C)C	87956648	572771883	/nfs/dbraw/zinc/77/18/83/572771883.db2.gz	APRVZMCNHMEYQZ-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]1CC[C@H]1C[NH2+]C(C)(C)C	87956664	572772019	/nfs/dbraw/zinc/77/20/19/572772019.db2.gz	ZJAXKZUKYYTDJJ-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]1CC[C@@H]1C[NH2+]CC(C)C	87956887	572772360	/nfs/dbraw/zinc/77/23/60/572772360.db2.gz	JVQSLMWMWMBYQJ-QWHCGFSZSA-N	1	0	195.350	3.224	10	30		AGEERO
C=C(CC)C[C@H]1CC[C@H]1C[NH2+]C(C)C	87955881	572772207	/nfs/dbraw/zinc/77/22/07/572772207.db2.gz	OLVDWTRTNFYOKN-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[C@@H]1CC[C@H]1C[NH2+]C(C)C	87955880	572772217	/nfs/dbraw/zinc/77/22/17/572772217.db2.gz	OLVDWTRTNFYOKN-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]1CC[C@H]1C[NH2+]CC(C)C	87956886	572772556	/nfs/dbraw/zinc/77/25/56/572772556.db2.gz	JVQSLMWMWMBYQJ-STQMWFEESA-N	1	0	195.350	3.224	10	30		AGEERO
C=C(C)C[C@H]1CC[C@@H]1C[NH2+]C(C)(C)C	87956647	572772570	/nfs/dbraw/zinc/77/25/70/572772570.db2.gz	APRVZMCNHMEYQZ-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]1CC[C@@H]1C[NH2+]CC(C)C	87956873	572773124	/nfs/dbraw/zinc/77/31/24/572773124.db2.gz	RRZFUWPHYJEVRQ-QWHCGFSZSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CCCC[C@@H]1CC[C@@H]1C[NH2+]C(C)C	87955909	572772787	/nfs/dbraw/zinc/77/27/87/572772787.db2.gz	ATFYPZCIUVAEDL-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@](C)([NH3+])C1CC1	257363181	572772935	/nfs/dbraw/zinc/77/29/35/572772935.db2.gz	WQJWYAWHWFPYHO-LBPRGKRZSA-N	1	0	183.339	3.474	10	30		AGEERO
C=CCC[C@H]1CC[C@@H]1C[NH2+]C(C)(C)C	87956663	572773029	/nfs/dbraw/zinc/77/30/29/572773029.db2.gz	ZJAXKZUKYYTDJJ-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@@H]1CC[C@H]1C[NH2+]C1CC1	87956268	572773133	/nfs/dbraw/zinc/77/31/33/572773133.db2.gz	PYPSNXKVFCHWAD-NEPJUHHUSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(CC)C[C@H]1CC[C@H]1C[NH2+]C1CC1	87956241	572773149	/nfs/dbraw/zinc/77/31/49/572773149.db2.gz	IIANTEFZZNFHOK-NEPJUHHUSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[C@@H]1CC[C@H]1C[NH2+]C(C)C	87955908	572773246	/nfs/dbraw/zinc/77/32/46/572773246.db2.gz	ATFYPZCIUVAEDL-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[C@@H]1CCC[C@@H]1C[NH2+]CC	87958338	572773507	/nfs/dbraw/zinc/77/35/07/572773507.db2.gz	CGCUMGVZFWIVJZ-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@H]1CCC[C@@H]1C[NH2+]C(C)(C)C	87959796	572773529	/nfs/dbraw/zinc/77/35/29/572773529.db2.gz	ACXBDAYFISNCET-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]1CCC[C@H]1C[NH2+]C1CC1	87959694	572773725	/nfs/dbraw/zinc/77/37/25/572773725.db2.gz	MSYPRWZGTNZXCW-RYUDHWBXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)C[C@H]1CCC[C@@H]1C[NH2+]CCC	87958835	572773750	/nfs/dbraw/zinc/77/37/50/572773750.db2.gz	PSDFJILWFFCBPP-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@H]1CCC[C@@H]1C[NH2+]C1CC1	87959718	572773810	/nfs/dbraw/zinc/77/38/10/572773810.db2.gz	QZPZSLIYCCMTBI-NWDGAFQWSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[C@@H]1CCC[C@H]1C[NH2+]CC	87958368	572776003	/nfs/dbraw/zinc/77/60/03/572776003.db2.gz	CHCAYXQLMWXDFM-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCCCCC[NH2+]CCCF	308126820	572774040	/nfs/dbraw/zinc/77/40/40/572774040.db2.gz	BLVJOSKDCOPCGM-UHFFFAOYSA-N	1	0	187.302	3.072	10	30		AGEERO
C=C(CC)CC(C)(C)CC[NH2+]CC	87957174	572774079	/nfs/dbraw/zinc/77/40/79/572774079.db2.gz	FDAINSYGKKYFHM-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
C=CCCC[C@H]1CCC[C@H]1C[NH2+]CC	87958366	572774101	/nfs/dbraw/zinc/77/41/01/572774101.db2.gz	CHCAYXQLMWXDFM-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@@]1(C(C)(C)C)CCC[NH2+]1	85702382	572774160	/nfs/dbraw/zinc/77/41/60/572774160.db2.gz	HOWJCSMFWRCZIM-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1C[NH2+]CC(C)C	87960042	572774173	/nfs/dbraw/zinc/77/41/73/572774173.db2.gz	UMQUPHPDHUHZHJ-CHWSQXEVSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CCC[C@]1(C(C)(C)C)CCC[NH2+]1	85702385	572774287	/nfs/dbraw/zinc/77/42/87/572774287.db2.gz	HOWJCSMFWRCZIM-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H]1CCC[C@@H]1C[NH2+]CC	87958339	572776014	/nfs/dbraw/zinc/77/60/14/572776014.db2.gz	CGCUMGVZFWIVJZ-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@H]1CCC[C@H]1C[NH2+]C(C)C	87959290	572774398	/nfs/dbraw/zinc/77/43/98/572774398.db2.gz	OTHZZGKUKXXMGT-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]1CCC[C@@H]1C[NH2+]CC(C)C	87960037	572774640	/nfs/dbraw/zinc/77/46/40/572774640.db2.gz	UMQUPHPDHUHZHJ-QWHCGFSZSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CCC[C@H]1CCC[C@@H]1C[NH2+]CCC	87958867	572774645	/nfs/dbraw/zinc/77/46/45/572774645.db2.gz	XHPKKQPQSBFHTC-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@@H]1CCC[C@@H]1C[NH2+]C(C)C	87959325	572774673	/nfs/dbraw/zinc/77/46/73/572774673.db2.gz	LZWSKORGBDEORK-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]1CCC[C@@H]1C[NH2+]C1CC1	87959717	572774791	/nfs/dbraw/zinc/77/47/91/572774791.db2.gz	QZPZSLIYCCMTBI-VXGBXAGGSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)C[C@@H]1CCC[C@H]1C[NH2+]CCC	87958836	572774845	/nfs/dbraw/zinc/77/48/45/572774845.db2.gz	PSDFJILWFFCBPP-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@H]1CCC[C@@H]1C[NH2+]C(C)C	87959291	572774968	/nfs/dbraw/zinc/77/49/68/572774968.db2.gz	OTHZZGKUKXXMGT-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1C=CCCCCC1	308116656	572774969	/nfs/dbraw/zinc/77/49/69/572774969.db2.gz	AENLMNFGYVMURZ-GFCCVEGCSA-N	1	0	179.307	3.041	10	30		AGEERO
CC#CCC(C)(C)CC[NH2+]CC(C)C	87957622	572774981	/nfs/dbraw/zinc/77/49/81/572774981.db2.gz	HTTNDOSFBKRLFV-UHFFFAOYSA-N	1	0	195.350	3.062	10	30		AGEERO
C=CCCC(C)(C)CC[NH2+]C(C)C	87957433	572775005	/nfs/dbraw/zinc/77/50/05/572775005.db2.gz	OXOKGRFSZKXHEF-UHFFFAOYSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@H]1C=CCCCCC1	308116660	572775023	/nfs/dbraw/zinc/77/50/23/572775023.db2.gz	AENLMNFGYVMURZ-LBPRGKRZSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CCCC[C@@H]1CCC[C@@H]1C[NH2+]CC	87958369	572775095	/nfs/dbraw/zinc/77/50/95/572775095.db2.gz	CHCAYXQLMWXDFM-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1C[NH2+]C(C)(C)C	87959800	572775098	/nfs/dbraw/zinc/77/50/98/572775098.db2.gz	ACXBDAYFISNCET-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]1CCC[C@@H]1C[NH2+]C(C)C	87959293	572775238	/nfs/dbraw/zinc/77/52/38/572775238.db2.gz	OTHZZGKUKXXMGT-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@H]1CCC[C@H]1C[NH2+]C1CC1	87959695	572775298	/nfs/dbraw/zinc/77/52/98/572775298.db2.gz	MSYPRWZGTNZXCW-NEPJUHHUSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]1CCC[C@H]1C[NH2+]CC(C)C	87960036	572775449	/nfs/dbraw/zinc/77/54/49/572775449.db2.gz	UMQUPHPDHUHZHJ-STQMWFEESA-N	1	0	195.350	3.224	10	30		AGEERO
C=CCC[C@H]1CCC[C@@H]1C[NH2+]C(C)C	87959321	572775372	/nfs/dbraw/zinc/77/53/72/572775372.db2.gz	LZWSKORGBDEORK-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC(C)(C)CC[NH2+]C1CC1	87957519	572775431	/nfs/dbraw/zinc/77/54/31/572775431.db2.gz	GWIZYJXAUBKIOQ-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@]1(CC(C)C)CCC[NH2+]1	85702856	572775500	/nfs/dbraw/zinc/77/55/00/572775500.db2.gz	ADAONYDDTCWBAF-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]1CCC[C@H]1C[NH2+]C1CC1	87959721	572775585	/nfs/dbraw/zinc/77/55/85/572775585.db2.gz	QZPZSLIYCCMTBI-RYUDHWBXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C[C@H](C)[N@H+](C)[C@H]1CCCC[C@H]1C	307714503	572775582	/nfs/dbraw/zinc/77/55/82/572775582.db2.gz	DKXGOICVAGCXBR-WOPDTQHZSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C(C)C[C@H]1CCC[C@@H]1C[NH2+]C1CC1	87959693	572775659	/nfs/dbraw/zinc/77/56/59/572775659.db2.gz	MSYPRWZGTNZXCW-VXGBXAGGSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]1CCC[C@H]1C[NH2+]C(C)(C)C	87959795	572775723	/nfs/dbraw/zinc/77/57/23/572775723.db2.gz	ACXBDAYFISNCET-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC(C)(C)CC[NH2+]CCC	87957341	572775735	/nfs/dbraw/zinc/77/57/35/572775735.db2.gz	YNDURYLFMMBOKC-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
C#CCCC(C)(C)CC[NH2+]C(C)(C)C	87957576	572775758	/nfs/dbraw/zinc/77/57/58/572775758.db2.gz	MVRMPXGUYKXKGR-UHFFFAOYSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)C[C@@H]1CCC[C@H]1C[NH2+]C(C)C	87959292	572775764	/nfs/dbraw/zinc/77/57/64/572775764.db2.gz	OTHZZGKUKXXMGT-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]1CCC[C@H]1C[NH2+]CCC	87958868	572775811	/nfs/dbraw/zinc/77/58/11/572775811.db2.gz	XHPKKQPQSBFHTC-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1C[NH2+]C(C)(C)C	87959798	572775967	/nfs/dbraw/zinc/77/59/67/572775967.db2.gz	ACXBDAYFISNCET-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]1CCC[C@H]1C[NH2+]C(C)C	87959323	572775977	/nfs/dbraw/zinc/77/59/77/572775977.db2.gz	LZWSKORGBDEORK-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]1CCC[C@H]1C[NH2+]C(C)C	87959319	572775982	/nfs/dbraw/zinc/77/59/82/572775982.db2.gz	LZWSKORGBDEORK-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC(C)(C)CC[NH2+]CC(C)C	87957580	572776071	/nfs/dbraw/zinc/77/60/71/572776071.db2.gz	RYGJXEFMAITCRD-UHFFFAOYSA-N	1	0	183.339	3.224	10	30		AGEERO
C=C(CC)C[C@]1(C(C)C)CCC[NH2+]1	85701782	572776191	/nfs/dbraw/zinc/77/61/91/572776191.db2.gz	BHYQIEPQAUNXOC-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCC/C=C(\C)CCC[NH3+]	308117915	572776617	/nfs/dbraw/zinc/77/66/17/572776617.db2.gz	AOEZJUIRKYHIEE-FMIVXFBMSA-N	1	0	181.323	3.418	10	30		AGEERO
C=C(C)C[C@@H]1CCCC[C@@H]1C[NH2+]CC	87961207	572777641	/nfs/dbraw/zinc/77/76/41/572777641.db2.gz	JNLNTFCVPYFBHL-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[C@H]1CCCC[C@@H]1C[NH2+]C	87960458	572777140	/nfs/dbraw/zinc/77/71/40/572777140.db2.gz	MAIQPCVILHXINR-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1C[NH2+]C(C)C	87961551	572777180	/nfs/dbraw/zinc/77/71/80/572777180.db2.gz	MQYKNLLMIJYKKF-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]1CCCCC[C@@H]1C[NH2+]C	87962799	572777220	/nfs/dbraw/zinc/77/72/20/572777220.db2.gz	ILWBZEXNIFFTHE-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1C[NH2+]CCC	87961323	572777228	/nfs/dbraw/zinc/77/72/28/572777228.db2.gz	VWEHYUVVUDVNDR-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]1C[NH2+]C1CC1	87961791	572777274	/nfs/dbraw/zinc/77/72/74/572777274.db2.gz	YUDAERBMFUONND-RYUDHWBXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1C	307714500	572777292	/nfs/dbraw/zinc/77/72/92/572777292.db2.gz	DKXGOICVAGCXBR-GRYCIOLGSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@H]1CCCCC[C@@H]1C[NH2+]CC	87962877	572777714	/nfs/dbraw/zinc/77/77/14/572777714.db2.gz	VYGUSJPPYWDSTD-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC1	87961786	572777385	/nfs/dbraw/zinc/77/73/85/572777385.db2.gz	YUDAERBMFUONND-VXGBXAGGSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1C[NH2+]CCC	87961321	572777409	/nfs/dbraw/zinc/77/74/09/572777409.db2.gz	VWEHYUVVUDVNDR-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@H]1CCCC[C@H]1C[NH2+]CC	87961231	572777451	/nfs/dbraw/zinc/77/74/51/572777451.db2.gz	HJKFUYVZFUUUNL-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@@H]1CCCC[C@H]1C[NH2+]CC	87961236	572777500	/nfs/dbraw/zinc/77/75/00/572777500.db2.gz	HJKFUYVZFUUUNL-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[C@@H]1CCCC[C@H]1C[NH2+]C	87960503	572777549	/nfs/dbraw/zinc/77/75/49/572777549.db2.gz	DBVBWEHNZUHWOI-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@@H]1CCCCC[C@H]1C[NH2+]C	87962801	572777635	/nfs/dbraw/zinc/77/76/35/572777635.db2.gz	ILWBZEXNIFFTHE-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@@H]1CCCCC[C@@H]1C[NH2+]C	87962803	572777660	/nfs/dbraw/zinc/77/76/60/572777660.db2.gz	ILWBZEXNIFFTHE-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@H]1CCCCC[C@H]1C[NH2+]CC	87962875	572777709	/nfs/dbraw/zinc/77/77/09/572777709.db2.gz	VYGUSJPPYWDSTD-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@H]1CCCC[C@@H]1C[NH2+]CC	87961233	572778694	/nfs/dbraw/zinc/77/86/94/572778694.db2.gz	HJKFUYVZFUUUNL-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[C@@H]1CCCC[C@H]1C[NH2+]C	87960459	572778047	/nfs/dbraw/zinc/77/80/47/572778047.db2.gz	MAIQPCVILHXINR-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@H]1CCCCC[C@@H]1C[NH2+]C	87962767	572778070	/nfs/dbraw/zinc/77/80/70/572778070.db2.gz	ZKQZARVHEVFJOS-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@@H]1CCCCC[C@@H]1C[NH2+]CC	87962879	572778232	/nfs/dbraw/zinc/77/82/32/572778232.db2.gz	VYGUSJPPYWDSTD-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@@H]1CCCCC[C@@H]1C[NH2+]C	87962765	572778344	/nfs/dbraw/zinc/77/83/44/572778344.db2.gz	ZKQZARVHEVFJOS-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1C[NH2+]C(C)C	87961553	572778492	/nfs/dbraw/zinc/77/84/92/572778492.db2.gz	MQYKNLLMIJYKKF-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC/C=C(/C)CCC[NH3+]	308117916	572778508	/nfs/dbraw/zinc/77/85/08/572778508.db2.gz	AOEZJUIRKYHIEE-XFXZXTDPSA-N	1	0	181.323	3.418	10	30		AGEERO
C=CC[C@@H]1CCCCC[C@H]1C[NH2+]CC	87962878	572778630	/nfs/dbraw/zinc/77/86/30/572778630.db2.gz	VYGUSJPPYWDSTD-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[C@H]1CCCC[C@@H]1C[NH2+]C	87960502	572778647	/nfs/dbraw/zinc/77/86/47/572778647.db2.gz	DBVBWEHNZUHWOI-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(CC)C[C@H]1CCCC[C@H]1C[NH2+]C	87960461	572778751	/nfs/dbraw/zinc/77/87/51/572778751.db2.gz	MAIQPCVILHXINR-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[C@@H]1CCCC[C@@H]1C[NH2+]C	87960504	572778817	/nfs/dbraw/zinc/77/88/17/572778817.db2.gz	DBVBWEHNZUHWOI-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]1C[NH2+]CCC	87961317	572778923	/nfs/dbraw/zinc/77/89/23/572778923.db2.gz	VWEHYUVVUDVNDR-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@H]1CCCC[C@@H]1C[NH2+]CC	87961204	572779186	/nfs/dbraw/zinc/77/91/86/572779186.db2.gz	JNLNTFCVPYFBHL-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@H]1CCCCC[C@H]1C[NH2+]C	87962797	572779650	/nfs/dbraw/zinc/77/96/50/572779650.db2.gz	ILWBZEXNIFFTHE-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]1C[NH2+]C(C)C	87961547	572779692	/nfs/dbraw/zinc/77/96/92/572779692.db2.gz	MQYKNLLMIJYKKF-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H]1C[C@@H](C)CC[C@@H]1C[NH2+]C	87964062	572780364	/nfs/dbraw/zinc/78/03/64/572780364.db2.gz	YSNLCYAZYZJCRA-YNEHKIRRSA-N	1	0	195.350	3.224	10	30		AGEERO
C=C(C)C[C@@H]1C[C@H](C)CC[C@@H]1C[NH2+]C	87964027	572781038	/nfs/dbraw/zinc/78/10/38/572781038.db2.gz	PBLKFLUTCWFTLY-JHJVBQTASA-N	1	0	195.350	3.224	10	30		AGEERO
C=C[C@@H]([NH3+])c1c(C)ccc2ccccc12	238529560	572781122	/nfs/dbraw/zinc/78/11/22/572781122.db2.gz	FSXMIICIDBJKRM-CYBMUJFWSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C[C@H](C)[N@@H+]1CCCCC(C)(C)C1	307710473	572781407	/nfs/dbraw/zinc/78/14/07/572781407.db2.gz	PRVXHAKVQLYZJO-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=C[C@H]([NH3+])c1cccc2ccc(C)cc12	238529115	572781703	/nfs/dbraw/zinc/78/17/03/572781703.db2.gz	VNSGSXGTIKEDDH-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=CC[C@H]1CC(C)(C)CC[C@H]1C[NH2+]C	87966315	572781864	/nfs/dbraw/zinc/78/18/64/572781864.db2.gz	LEBONUQUXWTUSI-RYUDHWBXSA-N	1	0	195.350	3.224	10	30		AGEERO
C=C[C@@H]([NH3+])c1ccc2ccc(C)cc2c1	238528561	572782069	/nfs/dbraw/zinc/78/20/69/572782069.db2.gz	OJHKLWBWWYSNNS-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=CCC[C@@H]1C[C@H](C)CC[C@@H]1C[NH2+]C	87964060	572782132	/nfs/dbraw/zinc/78/21/32/572782132.db2.gz	YSNLCYAZYZJCRA-JHJVBQTASA-N	1	0	195.350	3.224	10	30		AGEERO
C=C[C@@H]([NH3+])c1cccc2ccc(C)cc12	238529156	572782225	/nfs/dbraw/zinc/78/22/25/572782225.db2.gz	VNSGSXGTIKEDDH-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C(C)C[C@@H]1C[C@@H](C)CC[C@H]1C[NH2+]C	87964034	572782737	/nfs/dbraw/zinc/78/27/37/572782737.db2.gz	PBLKFLUTCWFTLY-RWMBFGLXSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC[C@H]1CC(C)(C)CC[C@@H]1C[NH2+]C	87966314	572782996	/nfs/dbraw/zinc/78/29/96/572782996.db2.gz	LEBONUQUXWTUSI-NWDGAFQWSA-N	1	0	195.350	3.224	10	30		AGEERO
C=C[C@H]([NH3+])c1ccc2cc(C)ccc2c1	238526783	572783345	/nfs/dbraw/zinc/78/33/45/572783345.db2.gz	SMMQNGQNHCWPAJ-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=CC[C@@H]1C[C@@H](CC)CC[C@@H]1C[NH2+]C	87964877	572783477	/nfs/dbraw/zinc/78/34/77/572783477.db2.gz	USKLKJAIDOFYTI-YNEHKIRRSA-N	1	0	195.350	3.224	10	30		AGEERO
C=C[C@H]([NH3+])c1c(C)ccc2ccccc12	238529533	572783488	/nfs/dbraw/zinc/78/34/88/572783488.db2.gz	FSXMIICIDBJKRM-ZDUSSCGKSA-N	1	0	197.281	3.334	10	30		AGEERO
C=CC[C@@H]1C[C@H](CC)CC[C@@H]1C[NH2+]C	87964874	572783522	/nfs/dbraw/zinc/78/35/22/572783522.db2.gz	USKLKJAIDOFYTI-JHJVBQTASA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC[C@H]1C[C@H](C)CC[C@H]1C[NH2+]CC	87964139	572783552	/nfs/dbraw/zinc/78/35/52/572783552.db2.gz	JKHUWTMKXCKNNS-AGIUHOORSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC[C@H]1C[C@@H](C)CC[C@H]1C[NH2+]CC	87964136	572783618	/nfs/dbraw/zinc/78/36/18/572783618.db2.gz	JKHUWTMKXCKNNS-AVGNSLFASA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC[C@@H]1CC(C)(C)CC[C@@H]1C[NH2+]C	87966311	572783659	/nfs/dbraw/zinc/78/36/59/572783659.db2.gz	LEBONUQUXWTUSI-VXGBXAGGSA-N	1	0	195.350	3.224	10	30		AGEERO
C=C[C@@H]([NH3+])c1ccc2cc(C)ccc2c1	238526880	572783881	/nfs/dbraw/zinc/78/38/81/572783881.db2.gz	SMMQNGQNHCWPAJ-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C(Cl)C[N@@H+]1C[C@@H]2CCCCC[C@@H]21	307755192	572783977	/nfs/dbraw/zinc/78/39/77/572783977.db2.gz	CSKNEKZSKQAOMN-QWRGUYRKSA-N	1	0	199.725	3.003	10	30		AGEERO
C=C[C@H]([NH3+])c1ccc2ccc(C)cc2c1	238528533	572784235	/nfs/dbraw/zinc/78/42/35/572784235.db2.gz	OJHKLWBWWYSNNS-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
Cc1cccc2[nH]cc(/C=[NH+]/C3CC3)c12	238532827	572787205	/nfs/dbraw/zinc/78/72/05/572787205.db2.gz	KWFNNZOTAVJHTD-VGOFMYFVSA-N	1	0	198.269	3.058	10	30		AGEERO
Cc1cccc2c(/C=[NH+]/C3CC3)c[nH]c12	238533381	572787363	/nfs/dbraw/zinc/78/73/63/572787363.db2.gz	HNJSOOKVBPESLP-VGOFMYFVSA-N	1	0	198.269	3.058	10	30		AGEERO
C=C(Cl)C[NH2+][C@H]1CC12CCCCC2	306835150	572787623	/nfs/dbraw/zinc/78/76/23/572787623.db2.gz	SEQVGUOPOUSPBR-JTQLQIEISA-N	1	0	199.725	3.051	10	30		AGEERO
C=C[C@@H]([NH3+])c1ccc2ccccc2c1C	238551861	572788895	/nfs/dbraw/zinc/78/88/95/572788895.db2.gz	HWVUTHHYOOUPKZ-CQSZACIVSA-N	1	0	197.281	3.334	10	30		AGEERO
C=C(Cl)C[NH2+][C@@H]1CC12CCCCC2	306835151	572789126	/nfs/dbraw/zinc/78/91/26/572789126.db2.gz	SEQVGUOPOUSPBR-SNVBAGLBSA-N	1	0	199.725	3.051	10	30		AGEERO
C=CC[C@H]([NH2+]CCC)C1(CC)CC1	308128299	572790557	/nfs/dbraw/zinc/79/05/57/572790557.db2.gz	CGISCMWOUKXHEZ-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]([NH2+]CCC)C1(CC)CC1	308128297	572791087	/nfs/dbraw/zinc/79/10/87/572791087.db2.gz	CGISCMWOUKXHEZ-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC/[NH+]=C/c1[nH]c2ccccc2c1C	238552518	572791117	/nfs/dbraw/zinc/79/11/17/572791117.db2.gz	IONUHFQYRLYMCL-NTEUORMPSA-N	1	0	198.269	3.081	10	30		AGEERO
C=C(CC)C[N@@H+]1CC[C@@H](C)C[C@H]1C	306805328	572791152	/nfs/dbraw/zinc/79/11/52/572791152.db2.gz	ZZYAJJGDNSXKOV-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1sccc1F	308127517	572791981	/nfs/dbraw/zinc/79/19/81/572791981.db2.gz	FHAZNEYXGPSXOJ-SECBINFHSA-N	1	0	199.294	3.243	10	30		AGEERO
C=C[C@H](C)[N@H+](C)[C@@H]1CCCC[C@@H]1C	307714501	572793415	/nfs/dbraw/zinc/79/34/15/572793415.db2.gz	DKXGOICVAGCXBR-SDDRHHMPSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C(C)CC[C@@H]([NH3+])C1(CCC)CC1	308128582	572793741	/nfs/dbraw/zinc/79/37/41/572793741.db2.gz	CHDMRRIVCKEQSA-LLVKDONJSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C(C)C/C=C(/C)CCCC[NH3+]	307937069	572797578	/nfs/dbraw/zinc/79/75/78/572797578.db2.gz	AAOZTDIJXRLKGU-FLIBITNWSA-N	1	0	167.296	3.028	10	30		AGEERO
C=C(Cl)C[N@@H+]1C[C@H]2CCCCC[C@@H]21	307755191	572799285	/nfs/dbraw/zinc/79/92/85/572799285.db2.gz	CSKNEKZSKQAOMN-MNOVXSKESA-N	1	0	199.725	3.003	10	30		AGEERO
C=C1CC[NH+]([C@H](CC)C(C)C)CC1	307721990	572800110	/nfs/dbraw/zinc/80/01/10/572800110.db2.gz	RMHRITOGAIDZPN-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
Cc1ccc([NH+]=C2CC=CC=CN2)cc1	238553859	572803840	/nfs/dbraw/zinc/80/38/40/572803840.db2.gz	LNUYUBFWCAETHV-UHFFFAOYSA-N	1	0	198.269	3.088	10	30		AGEERO
C=C(Cl)C[N@H+](C1CC1)[C@@H](C)CC	307941073	572806287	/nfs/dbraw/zinc/80/62/87/572806287.db2.gz	CAKFMVUQHKDXEE-VIFPVBQESA-N	1	0	187.714	3.002	10	30		AGEERO
C=CCCCCC[C@@H]1CCC[C@@H]1C[NH3+]	236235371	572806499	/nfs/dbraw/zinc/80/64/99/572806499.db2.gz	MZAVPLYJTHSZQY-CHWSQXEVSA-N	1	0	195.350	3.498	10	30		AGEERO
C=CCC(C)(C)[C@@H]1CC[C@H](C)C[C@@H]1[NH3+]	222562720	572807052	/nfs/dbraw/zinc/80/70/52/572807052.db2.gz	PACCXJIXLDUSNY-TUAOUCFPSA-N	1	0	195.350	3.352	10	30		AGEERO
C=C(CCCCC[NH3+])c1ccccc1	238556261	572807237	/nfs/dbraw/zinc/80/72/37/572807237.db2.gz	LYWALSPPNSCRPN-UHFFFAOYSA-N	1	0	189.302	3.219	10	30		AGEERO
C=CC[C@H](C)[NH2+]Cc1cscc1C	308137062	572807841	/nfs/dbraw/zinc/80/78/41/572807841.db2.gz	GBRSLPUBKYEQDD-JTQLQIEISA-N	1	0	195.331	3.111	10	30		AGEERO
C=CC[C@H](C)[NH2+]CC(C)(C)C(C)C	308137066	572808543	/nfs/dbraw/zinc/80/85/43/572808543.db2.gz	GBSBNICUWLGLER-NSHDSACASA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCCCC/C=C\CC[NH3+]	307943296	572809039	/nfs/dbraw/zinc/80/90/39/572809039.db2.gz	SCIGVSFCXACDRV-HJWRWDBZSA-N	1	0	167.296	3.028	10	30		AGEERO
C=CCC[C@H](C)[N@@H+](CC)CCC	307943010	572809441	/nfs/dbraw/zinc/80/94/41/572809441.db2.gz	DYYVOOGRVAATQD-NSHDSACASA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[C@@H](C)[NH2+]CC(C)(C)C(C)C	308137065	572809985	/nfs/dbraw/zinc/80/99/85/572809985.db2.gz	GBSBNICUWLGLER-LLVKDONJSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+](CC)CCC	307943009	572810441	/nfs/dbraw/zinc/81/04/41/572810441.db2.gz	DYYVOOGRVAATQD-LLVKDONJSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[C@@H](C)[NH2+]Cc1cscc1C	308137064	572810527	/nfs/dbraw/zinc/81/05/27/572810527.db2.gz	GBRSLPUBKYEQDD-SNVBAGLBSA-N	1	0	195.331	3.111	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[N@H+](C)C1CCC1	308133759	572811675	/nfs/dbraw/zinc/81/16/75/572811675.db2.gz	CXOCGMYXLVAUBY-GHMZBOCLSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[N@H+](C)C1CCC1	308133760	572811793	/nfs/dbraw/zinc/81/17/93/572811793.db2.gz	CXOCGMYXLVAUBY-MNOVXSKESA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[N@H+](C)C1CCC1	308133761	572812572	/nfs/dbraw/zinc/81/25/72/572812572.db2.gz	CXOCGMYXLVAUBY-QWRGUYRKSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C[C@H](CC[NH3+])CC1CCCCC1	238556821	572812881	/nfs/dbraw/zinc/81/28/81/572812881.db2.gz	WBTZVXFEISHLFO-LLVKDONJSA-N	1	0	181.323	3.108	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[N@H+](C)C1CCC1	308133762	572813863	/nfs/dbraw/zinc/81/38/63/572813863.db2.gz	CXOCGMYXLVAUBY-WDEREUQCSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1sccc1F	308134712	572815164	/nfs/dbraw/zinc/81/51/64/572815164.db2.gz	NDXQCKLVTUFNMB-SECBINFHSA-N	1	0	199.294	3.243	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1sccc1F	308134713	572815770	/nfs/dbraw/zinc/81/57/70/572815770.db2.gz	NDXQCKLVTUFNMB-VIFPVBQESA-N	1	0	199.294	3.243	10	30		AGEERO
CCCCCCC[C@H]1[NH2+]CC1(C)C	308134681	572816341	/nfs/dbraw/zinc/81/63/41/572816341.db2.gz	NCGWODOYJPKHRD-LLVKDONJSA-N	1	0	183.339	3.345	10	30		AGEERO
C=CCCCCC[C@H]1CC[C@H]1C[NH3+]	236239728	572819094	/nfs/dbraw/zinc/81/90/94/572819094.db2.gz	JIHKZSWRWUBGJE-RYUDHWBXSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(CC)C[N@@H+]1CC[C@H](C)C[C@H]1C	306805327	572821807	/nfs/dbraw/zinc/82/18/07/572821807.db2.gz	ZZYAJJGDNSXKOV-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCCC[C@@H]1CC[C@H]1C[NH3+]	236242078	572824796	/nfs/dbraw/zinc/82/47/96/572824796.db2.gz	JIHKZSWRWUBGJE-NEPJUHHUSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(Cl)C[N@H+]1CCCCC[C@@H]1C	306975336	572825544	/nfs/dbraw/zinc/82/55/44/572825544.db2.gz	ZIZWDRCXADDNTK-JTQLQIEISA-N	1	0	187.714	3.003	10	30		AGEERO
C=C[C@H](C)[N@H+](C)CC1CCCCC1	308141705	572828557	/nfs/dbraw/zinc/82/85/57/572828557.db2.gz	IYVPVGDBBSMICD-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[C@@H]([NH3+])c1sccc1F	308141566	572828934	/nfs/dbraw/zinc/82/89/34/572828934.db2.gz	UJIQFUQGJKPSNL-SECBINFHSA-N	1	0	199.294	3.243	10	30		AGEERO
C=C[C@@H](C)[N@H+](C)CC1CCCCC1	308141703	572829067	/nfs/dbraw/zinc/82/90/67/572829067.db2.gz	IYVPVGDBBSMICD-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@@]1(CC)CCCCC[NH2+]1	85875284	572829410	/nfs/dbraw/zinc/82/94/10/572829410.db2.gz	ZLZRASNDRWJTAU-LBPRGKRZSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CCC[C@]1(CC)CCCCC[NH2+]1	85875287	572829645	/nfs/dbraw/zinc/82/96/45/572829645.db2.gz	ZLZRASNDRWJTAU-GFCCVEGCSA-N	1	0	181.323	3.265	10	30		AGEERO
C#CCC[C@]1(CCC)CCCCC[NH2+]1	85876237	572829998	/nfs/dbraw/zinc/82/99/98/572829998.db2.gz	YNGBEWFDXAJSMJ-CYBMUJFWSA-N	1	0	193.334	3.102	10	30		AGEERO
C=CC[N@@H+](CC(C)C)[C@H](C)C(C)C	308142042	572830244	/nfs/dbraw/zinc/83/02/44/572830244.db2.gz	JHIFKTHVPLIHRC-GFCCVEGCSA-N	1	0	183.339	3.175	10	30		AGEERO
C=C(C)CC[C@H]([NH3+])c1sccc1F	308141567	572830684	/nfs/dbraw/zinc/83/06/84/572830684.db2.gz	UJIQFUQGJKPSNL-VIFPVBQESA-N	1	0	199.294	3.243	10	30		AGEERO
C=CCC[C@@]1(C2CC2)CCCCC[NH2+]1	85877019	572832656	/nfs/dbraw/zinc/83/26/56/572832656.db2.gz	JEJGRZGFHCRSHY-ZDUSSCGKSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CCCC[C@@]1(C)CCCCC[NH2+]1	85874491	572832765	/nfs/dbraw/zinc/83/27/65/572832765.db2.gz	HLLYEYLGCRREIG-LBPRGKRZSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CCC[N@H+](CC=C)[C@H](C)C(C)C	308148398	572836480	/nfs/dbraw/zinc/83/64/80/572836480.db2.gz	MVQOHZYDOAXTBK-GFCCVEGCSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CCC[N@H+](CC=C)[C@@H](C)C(C)C	308148399	572838300	/nfs/dbraw/zinc/83/83/00/572838300.db2.gz	MVQOHZYDOAXTBK-LBPRGKRZSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CC[N@H+](CC1(C)CCC1)C(C)C	308148807	572840536	/nfs/dbraw/zinc/84/05/36/572840536.db2.gz	NESZHXDNFBLNLJ-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@H]1C=CCCCCC1	308149787	572843527	/nfs/dbraw/zinc/84/35/27/572843527.db2.gz	GPCWNFXXKHMZDZ-NEPJUHHUSA-N	1	0	179.307	3.039	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@@H]1C=CCCCCC1	308149790	572843609	/nfs/dbraw/zinc/84/36/09/572843609.db2.gz	GPCWNFXXKHMZDZ-VXGBXAGGSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C(C)C	308150449	572843767	/nfs/dbraw/zinc/84/37/67/572843767.db2.gz	OAQUZZJDZDXFDY-QJPTWQEYSA-N	1	0	183.339	3.221	10	30		AGEERO
C=C[C@H](C)[NH2+][C@H]1C=CCCCCC1	308149789	572844272	/nfs/dbraw/zinc/84/42/72/572844272.db2.gz	GPCWNFXXKHMZDZ-RYUDHWBXSA-N	1	0	179.307	3.039	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)c1ccccc1	86026512	572844726	/nfs/dbraw/zinc/84/47/26/572844726.db2.gz	WBOBOMGRNJCQEM-ZDUSSCGKSA-N	1	0	189.302	3.303	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)c1cccs1	86024895	572845126	/nfs/dbraw/zinc/84/51/26/572845126.db2.gz	VPMSDYNZVGAYOP-NSHDSACASA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)C1CCC(C)CC1	86029089	572845199	/nfs/dbraw/zinc/84/51/99/572845199.db2.gz	MQHSDYFEMWHWMT-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)C1CCCC1	86027469	572845230	/nfs/dbraw/zinc/84/52/30/572845230.db2.gz	MXECWTFVDYWVIX-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)c1ccsc1	86026000	572845234	/nfs/dbraw/zinc/84/52/34/572845234.db2.gz	OBFZESBPWZJBFY-LLVKDONJSA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)C1CCCCC1	86026943	572845313	/nfs/dbraw/zinc/84/53/13/572845313.db2.gz	VWHXFQPHKFRPLG-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)c1ccc(CC)cc1	86026068	572845373	/nfs/dbraw/zinc/84/53/73/572845373.db2.gz	SQBYAVAKORADRX-CYBMUJFWSA-N	1	0	189.302	3.086	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)c1cccc(F)c1	86024653	572845484	/nfs/dbraw/zinc/84/54/84/572845484.db2.gz	KBRRHUGUXHNUON-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)c1cccc(C)c1	86026764	572845537	/nfs/dbraw/zinc/84/55/37/572845537.db2.gz	ZNWSJDXETZEECD-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)C1CCCC1	86027473	572845678	/nfs/dbraw/zinc/84/56/78/572845678.db2.gz	MXECWTFVDYWVIX-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)[C@@H]1CCC[C@H](C)C1	86028940	572845827	/nfs/dbraw/zinc/84/58/27/572845827.db2.gz	MODVAMWCTCJQBO-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)C1CCC(C)CC1	86029094	572845993	/nfs/dbraw/zinc/84/59/93/572845993.db2.gz	MQHSDYFEMWHWMT-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)c1ccccc1	86026509	572846059	/nfs/dbraw/zinc/84/60/59/572846059.db2.gz	WBOBOMGRNJCQEM-CYBMUJFWSA-N	1	0	189.302	3.303	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)[C@H]1CCC[C@H](C)C1	86028949	572846166	/nfs/dbraw/zinc/84/61/66/572846166.db2.gz	MODVAMWCTCJQBO-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)c1cccs1	86024890	572846240	/nfs/dbraw/zinc/84/62/40/572846240.db2.gz	VPMSDYNZVGAYOP-LLVKDONJSA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)c1ccccc1C	86026703	572846277	/nfs/dbraw/zinc/84/62/77/572846277.db2.gz	FNIIZCVWFVVDNU-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+](C)CCCC	307959485	572846417	/nfs/dbraw/zinc/84/64/17/572846417.db2.gz	UZWBQULXPUMZFY-LLVKDONJSA-N	1	0	169.312	3.073	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)c1ccc(F)cc1	86024576	572846567	/nfs/dbraw/zinc/84/65/67/572846567.db2.gz	QHAWFKNMPQUCEH-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)c1ccc(CC)cc1	86026072	572846577	/nfs/dbraw/zinc/84/65/77/572846577.db2.gz	SQBYAVAKORADRX-ZDUSSCGKSA-N	1	0	189.302	3.086	10	30		AGEERO
C=C(C)[C@@H]([NH3+])C1CCC(CCC)CC1	86057765	572848792	/nfs/dbraw/zinc/84/87/92/572848792.db2.gz	JDBHAXWECRXMIZ-WXRRBKDZSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CCC[C@H](C)[N@@H+](C)CCCC	307959486	572846753	/nfs/dbraw/zinc/84/67/53/572846753.db2.gz	UZWBQULXPUMZFY-NSHDSACASA-N	1	0	169.312	3.073	10	30		AGEERO
C=C(C)[C@@H](CCC(C)C)[NH2+]CCC	86028221	572846767	/nfs/dbraw/zinc/84/67/67/572846767.db2.gz	YKXDZVUTWFMGSD-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)c1ccccc1C	86026708	572846865	/nfs/dbraw/zinc/84/68/65/572846865.db2.gz	FNIIZCVWFVVDNU-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)c1ccc(C)cc1	86025614	572846917	/nfs/dbraw/zinc/84/69/17/572846917.db2.gz	DELULKNZGZAWLQ-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)[C@H]([NH3+])C1CCC(CCC)CC1	86057766	572847662	/nfs/dbraw/zinc/84/76/62/572847662.db2.gz	JDBHAXWECRXMIZ-BPCQOVAHSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)c1ccccc1F	86055997	572847823	/nfs/dbraw/zinc/84/78/23/572847823.db2.gz	DNJAPBPBSBDLIA-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1cccc2ccccc12	86029803	572847965	/nfs/dbraw/zinc/84/79/65/572847965.db2.gz	HSDQCIBNZCUUBW-AWEZNQCLSA-N	1	0	197.281	3.416	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1ccc2ccccc2c1	86055683	572848420	/nfs/dbraw/zinc/84/84/20/572848420.db2.gz	GMYROFFKXAIWGS-CQSZACIVSA-N	1	0	197.281	3.416	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)c1ccccc1F	86055999	572848471	/nfs/dbraw/zinc/84/84/71/572848471.db2.gz	DNJAPBPBSBDLIA-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)[C@@H]1CC[C@H](C)C1	86057988	572848703	/nfs/dbraw/zinc/84/87/03/572848703.db2.gz	SMJOWNKMRXOGGR-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H](C)[NH+](CC(C)C)CC(C)C	308153687	572849160	/nfs/dbraw/zinc/84/91/60/572849160.db2.gz	PWSKGDALFYWAOE-GFCCVEGCSA-N	1	0	183.339	3.175	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)C1CCC(CC)CC1	86057648	572849267	/nfs/dbraw/zinc/84/92/67/572849267.db2.gz	METXBSCCTNYBNV-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)C1CCC(CC)CC1	86057649	572849372	/nfs/dbraw/zinc/84/93/72/572849372.db2.gz	METXBSCCTNYBNV-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[N@H+](C)CC(=C)C	308145286	572849441	/nfs/dbraw/zinc/84/94/41/572849441.db2.gz	LHYHWVCHNLYQEJ-NWDGAFQWSA-N	1	0	181.323	3.095	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)[C@H]1CC[C@H](C)C1	86057994	572849687	/nfs/dbraw/zinc/84/96/87/572849687.db2.gz	SMJOWNKMRXOGGR-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@@H](CC(C)(C)C)[NH2+]CCC	86056339	572849823	/nfs/dbraw/zinc/84/98/23/572849823.db2.gz	CPBTVCYXACMASZ-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[N@H+](C)CC(=C)C	308145288	572849853	/nfs/dbraw/zinc/84/98/53/572849853.db2.gz	LHYHWVCHNLYQEJ-VXGBXAGGSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[N@H+](C)CC(=C)C	308145287	572850012	/nfs/dbraw/zinc/85/00/12/572850012.db2.gz	LHYHWVCHNLYQEJ-RYUDHWBXSA-N	1	0	181.323	3.095	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1ccc(F)cc1	86060529	572850126	/nfs/dbraw/zinc/85/01/26/572850126.db2.gz	PTYIFHBRZJDWMR-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[N@H+](C)CC(=C)C	308145285	572850361	/nfs/dbraw/zinc/85/03/61/572850361.db2.gz	LHYHWVCHNLYQEJ-NEPJUHHUSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CCCCCCC[NH2+][C@H](C)C=C	308145021	572850830	/nfs/dbraw/zinc/85/08/30/572850830.db2.gz	NMEXCMQJJXGMNJ-GFCCVEGCSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCCCCC[NH2+][C@@H](C)C=C	308145022	572850535	/nfs/dbraw/zinc/85/05/35/572850535.db2.gz	NMEXCMQJJXGMNJ-LBPRGKRZSA-N	1	0	181.323	3.287	10	30		AGEERO
C=C(C)C[C@@H]1CC[C@@H]([NH2+]CCC)C1	86063715	572851510	/nfs/dbraw/zinc/85/15/10/572851510.db2.gz	LMEGPYOSXGFETJ-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H]1CC[C@@H]([NH2+]CCC)[C@H]1C	86064084	572850673	/nfs/dbraw/zinc/85/06/73/572850673.db2.gz	KIXASGQDFOMBSF-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CCC)C1CCC1	86061837	572850726	/nfs/dbraw/zinc/85/07/26/572850726.db2.gz	MTHFQAQVXSDGEY-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@H]1CCC[C@H]([NH2+]CC)C1	86063735	572850792	/nfs/dbraw/zinc/85/07/92/572850792.db2.gz	VCJQVHGKJOJYDV-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)CCC[C@@H]([NH3+])c1ccccc1	86063639	572850758	/nfs/dbraw/zinc/85/07/58/572850758.db2.gz	VNAYVKDSLKHYIZ-CYBMUJFWSA-N	1	0	189.302	3.433	10	30		AGEERO
C=C(C)C[C@]1(CC(C)C)CCC[NH2+]1	86062615	572850761	/nfs/dbraw/zinc/85/07/61/572850761.db2.gz	QXMVJVIMMGEZIM-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H]1CCCC[C@H]1[NH2+]CC	86063148	572850850	/nfs/dbraw/zinc/85/08/50/572850850.db2.gz	KFEHGHLCKUWUKJ-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@H]([NH3+])C1CCC(CC)CC1	86062208	572850860	/nfs/dbraw/zinc/85/08/60/572850860.db2.gz	TVIZQTFYGLNNKG-BPCQOVAHSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C(C)C[C@H]1CCCC[C@@H]1[NH2+]CC	86063145	572850870	/nfs/dbraw/zinc/85/08/70/572850870.db2.gz	KFEHGHLCKUWUKJ-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H](C)[NH+](CC(C)C)CC(C)C	308153688	572850893	/nfs/dbraw/zinc/85/08/93/572850893.db2.gz	PWSKGDALFYWAOE-LBPRGKRZSA-N	1	0	183.339	3.175	10	30		AGEERO
C=C(C)CCCC[NH2+]C(C)(C)C	86063669	572850920	/nfs/dbraw/zinc/85/09/20/572850920.db2.gz	VAKKQFNYIJKJRG-UHFFFAOYSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)c1ccsc1	86060779	572850939	/nfs/dbraw/zinc/85/09/39/572850939.db2.gz	TYTGTQLQJVKRKP-NSHDSACASA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(C)C[C@H](CCC)[NH2+]CCC	86060996	572851023	/nfs/dbraw/zinc/85/10/23/572851023.db2.gz	LADXXZDWGAWCRI-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)[C@@H]1CC[C@H](C)C1	86062289	572851014	/nfs/dbraw/zinc/85/10/14/572851014.db2.gz	NDAIXAOMSHXJMM-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CCC[C@H](CCC)[NH2+]C	86063757	572851060	/nfs/dbraw/zinc/85/10/60/572851060.db2.gz	UCFLQNYIYOALLN-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)CCC[C@H]([NH2+]C)C(C)(C)C	86063860	572851089	/nfs/dbraw/zinc/85/10/89/572851089.db2.gz	RQIAGQFRGRRJNI-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]1CC[C@H]([NH2+]CCC)[C@H]1C	86064088	572851489	/nfs/dbraw/zinc/85/14/89/572851489.db2.gz	KIXASGQDFOMBSF-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CCC[C@H]([NH3+])C(C)(C)C	86063630	572851181	/nfs/dbraw/zinc/85/11/81/572851181.db2.gz	YWXKXTNNXZGFAO-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)CC[C@@H](C)C[NH2+]CC(C)C	86063934	572851193	/nfs/dbraw/zinc/85/11/93/572851193.db2.gz	RZSPLBRQHAMBQL-GFCCVEGCSA-N	1	0	183.339	3.224	10	30		AGEERO
C=C(C)C[C@H](CCC(C)C)[NH2+]CC	86061190	572851196	/nfs/dbraw/zinc/85/11/96/572851196.db2.gz	WENLNIKDRVEQRU-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)C1CCCC1	86061069	572851200	/nfs/dbraw/zinc/85/12/00/572851200.db2.gz	QGPRHJUIYDKKFD-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@H](C)C[C@@H](C)[NH2+]CCC	86063983	572851261	/nfs/dbraw/zinc/85/12/61/572851261.db2.gz	DPXRTXHCZHBDAK-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)[C@H]1CC[C@H](C)C1	86062294	572851268	/nfs/dbraw/zinc/85/12/68/572851268.db2.gz	NDAIXAOMSHXJMM-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1cccc(F)c1	86060549	572851496	/nfs/dbraw/zinc/85/14/96/572851496.db2.gz	QFYLRCRJRWYLOL-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[C@H](C)C[C@H](C)[NH2+]CCC	86063981	572851324	/nfs/dbraw/zinc/85/13/24/572851324.db2.gz	DPXRTXHCZHBDAK-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CCC[C@@H]([NH2+]C)C(C)(C)C	86063865	572851335	/nfs/dbraw/zinc/85/13/35/572851335.db2.gz	RQIAGQFRGRRJNI-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCCCC[NH2+]CCC=C	308145077	572851347	/nfs/dbraw/zinc/85/13/47/572851347.db2.gz	NOSOAQRTCDPZNN-UHFFFAOYSA-N	1	0	181.323	3.289	10	30		AGEERO
C=C(C)CC(C)(C)C[C@H](C)[NH2+]CC	86064006	572851349	/nfs/dbraw/zinc/85/13/49/572851349.db2.gz	HQADHEVHHCIBSH-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)C1CCC(C)CC1	86061328	572851352	/nfs/dbraw/zinc/85/13/52/572851352.db2.gz	PBTJVIGORYZOAB-WXRRBKDZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@H](CC(C)C)[NH2+]CCC	86060885	572851409	/nfs/dbraw/zinc/85/14/09/572851409.db2.gz	FRFNNYNHYWTNFS-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]1CCC[C@@H]1[NH2+]CCC	86063196	572851412	/nfs/dbraw/zinc/85/14/12/572851412.db2.gz	JJURWEGRLSSLNN-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H](CCC(C)C)[NH2+]CC	86061191	572851426	/nfs/dbraw/zinc/85/14/26/572851426.db2.gz	WENLNIKDRVEQRU-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H](CC(C)(C)C)[NH2+]CC	86061713	572851453	/nfs/dbraw/zinc/85/14/53/572851453.db2.gz	QGEPTMBRIBTFLA-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])C1CCC(CC)CC1	86062207	572851472	/nfs/dbraw/zinc/85/14/72/572851472.db2.gz	TVIZQTFYGLNNKG-WXRRBKDZSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CCC)[C@H](C)CC	86061691	572851507	/nfs/dbraw/zinc/85/15/07/572851507.db2.gz	HCRDEERZEMNREB-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1ccccc1F	86061575	572851651	/nfs/dbraw/zinc/85/16/51/572851651.db2.gz	AVXYUCYEZOIYJZ-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1cccc(C)c1	86060935	572851571	/nfs/dbraw/zinc/85/15/71/572851571.db2.gz	OHYXJRQWSAFABQ-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)CCC[C@@H](CC)[NH2+]CC	86063817	572851592	/nfs/dbraw/zinc/85/15/92/572851592.db2.gz	FWBISPBOWVEDQN-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@@H](C)C[C@H](C)[NH2+]CCC	86063986	572851665	/nfs/dbraw/zinc/85/16/65/572851665.db2.gz	DPXRTXHCZHBDAK-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CC[C@H](C)C[NH2+]CC(C)C	86063932	572851627	/nfs/dbraw/zinc/85/16/27/572851627.db2.gz	RZSPLBRQHAMBQL-LBPRGKRZSA-N	1	0	183.339	3.224	10	30		AGEERO
C=C(C)C[C@@H](CCC)[NH2+]CCC	86060998	572851635	/nfs/dbraw/zinc/85/16/35/572851635.db2.gz	LADXXZDWGAWCRI-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@@H]1CCC[C@H]1[NH2+]CCC	86063195	572851639	/nfs/dbraw/zinc/85/16/39/572851639.db2.gz	JJURWEGRLSSLNN-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1ccccc1F	86061573	572851644	/nfs/dbraw/zinc/85/16/44/572851644.db2.gz	AVXYUCYEZOIYJZ-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)CC[C@@H](C)C[NH2+]C(C)(C)C	86063929	572851698	/nfs/dbraw/zinc/85/16/98/572851698.db2.gz	HLVJAVNVSPOWPY-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CCC)[C@H](C)CC	86061693	572851764	/nfs/dbraw/zinc/85/17/64/572851764.db2.gz	HCRDEERZEMNREB-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]1CCC[C@@H]1[NH2+]CCC	86063194	572851820	/nfs/dbraw/zinc/85/18/20/572851820.db2.gz	JJURWEGRLSSLNN-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(Cl)C[N@@H+](C)[C@H](C)CC(C)C	307961109	572851824	/nfs/dbraw/zinc/85/18/24/572851824.db2.gz	LBPCKQHNHLUMCG-SNVBAGLBSA-N	1	0	189.730	3.105	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)c1ccsc1	86060784	572851834	/nfs/dbraw/zinc/85/18/34/572851834.db2.gz	TYTGTQLQJVKRKP-LLVKDONJSA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(C)CCC[C@H]([NH3+])c1ccccc1	86063636	572851922	/nfs/dbraw/zinc/85/19/22/572851922.db2.gz	VNAYVKDSLKHYIZ-ZDUSSCGKSA-N	1	0	189.302	3.433	10	30		AGEERO
C=C(C)CCC[C@@H]([NH3+])C(C)(C)C	86063635	572851998	/nfs/dbraw/zinc/85/19/98/572851998.db2.gz	YWXKXTNNXZGFAO-SNVBAGLBSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CCC)[C@@H](C)CC	86061689	572852050	/nfs/dbraw/zinc/85/20/50/572852050.db2.gz	HCRDEERZEMNREB-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)C1CCCCC1	86060978	572852061	/nfs/dbraw/zinc/85/20/61/572852061.db2.gz	RMVMMKQMVJJHEL-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)CCC[C@@H](C)[NH2+]CCC	86063689	572852089	/nfs/dbraw/zinc/85/20/89/572852089.db2.gz	QLZZHSVCLLSTDX-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)CCC[C@H]([NH2+]CC)C(C)C	86063832	572852113	/nfs/dbraw/zinc/85/21/13/572852113.db2.gz	CCJRFUFRZPBTGW-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]1CCCC[C@H]1[NH2+]CC	86063142	572852129	/nfs/dbraw/zinc/85/21/29/572852129.db2.gz	KFEHGHLCKUWUKJ-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@H]1CCC[C@H]1[NH2+]CCC	86063192	572852141	/nfs/dbraw/zinc/85/21/41/572852141.db2.gz	JJURWEGRLSSLNN-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)CCC[C@@H]([NH2+]CC)C1CC1	86063852	572852172	/nfs/dbraw/zinc/85/21/72/572852172.db2.gz	LOGCOEJLGAGKFX-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)C1CCCC1	86061070	572852181	/nfs/dbraw/zinc/85/21/81/572852181.db2.gz	QGPRHJUIYDKKFD-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H](CC(C)(C)C)[NH2+]CC	86061712	572852209	/nfs/dbraw/zinc/85/22/09/572852209.db2.gz	QGEPTMBRIBTFLA-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)C1CCC(C)CC1	86061330	572852264	/nfs/dbraw/zinc/85/22/64/572852264.db2.gz	PBTJVIGORYZOAB-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@H]1CC[C@@H]([NH2+]CCC)C1	86063711	572852332	/nfs/dbraw/zinc/85/23/32/572852332.db2.gz	LMEGPYOSXGFETJ-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)CCC[C@H](CC)[NH2+]CC	86063812	572852360	/nfs/dbraw/zinc/85/23/60/572852360.db2.gz	FWBISPBOWVEDQN-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1ccc(F)cc1	86060532	572852394	/nfs/dbraw/zinc/85/23/94/572852394.db2.gz	PTYIFHBRZJDWMR-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1ccc(C)cc1	86060698	572852411	/nfs/dbraw/zinc/85/24/11/572852411.db2.gz	ADXKRAVODOBBKX-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CCC)C(C)(C)C	86061029	572852501	/nfs/dbraw/zinc/85/25/01/572852501.db2.gz	NFPJJJVXBYWVGA-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H](CC(C)C)[NH2+]CCC	86060886	572852585	/nfs/dbraw/zinc/85/25/85/572852585.db2.gz	FRFNNYNHYWTNFS-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CCC)c1ccco1	86061458	572853153	/nfs/dbraw/zinc/85/31/53/572853153.db2.gz	FVPBUKXFAYRAQU-NSHDSACASA-N	1	0	193.290	3.287	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1ccccc1C	86060918	572852604	/nfs/dbraw/zinc/85/26/04/572852604.db2.gz	NLAKNWHWEHDTEL-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)C[C@@]1(CC(C)C)CCC[NH2+]1	86062612	572852629	/nfs/dbraw/zinc/85/26/29/572852629.db2.gz	QXMVJVIMMGEZIM-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1ccccc1C	86060920	572852728	/nfs/dbraw/zinc/85/27/28/572852728.db2.gz	NLAKNWHWEHDTEL-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CCC)C(C)(C)C	86061031	572852752	/nfs/dbraw/zinc/85/27/52/572852752.db2.gz	NFPJJJVXBYWVGA-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]1CC[C@H]([NH2+]CCC)C1	86063712	572852794	/nfs/dbraw/zinc/85/27/94/572852794.db2.gz	LMEGPYOSXGFETJ-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)CCC[C@H]([NH2+]CC)C1CC1	86063849	572853222	/nfs/dbraw/zinc/85/32/22/572853222.db2.gz	LOGCOEJLGAGKFX-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1cccc(C)c1	86060934	572852849	/nfs/dbraw/zinc/85/28/49/572852849.db2.gz	OHYXJRQWSAFABQ-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CCC)[C@@H](C)CC	86061687	572852855	/nfs/dbraw/zinc/85/28/55/572852855.db2.gz	HCRDEERZEMNREB-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CCC)c1ccco1	86061460	572853166	/nfs/dbraw/zinc/85/31/66/572853166.db2.gz	FVPBUKXFAYRAQU-LLVKDONJSA-N	1	0	193.290	3.287	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CCC)C1CCC1	86061834	572852926	/nfs/dbraw/zinc/85/29/26/572852926.db2.gz	MTHFQAQVXSDGEY-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CCC)c1ccoc1	86061746	572852938	/nfs/dbraw/zinc/85/29/38/572852938.db2.gz	AFOMYRDGSGNNAD-GFCCVEGCSA-N	1	0	193.290	3.287	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)c1cccs1	86060580	572852976	/nfs/dbraw/zinc/85/29/76/572852976.db2.gz	RSGATMNCABPIBH-JTQLQIEISA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1cccc(F)c1	86060547	572853027	/nfs/dbraw/zinc/85/30/27/572853027.db2.gz	QFYLRCRJRWYLOL-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[C@@H](C)C[C@@H](C)[NH2+]CCC	86063988	572853032	/nfs/dbraw/zinc/85/30/32/572853032.db2.gz	DPXRTXHCZHBDAK-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)C1CCCCC1	86060979	572853093	/nfs/dbraw/zinc/85/30/93/572853093.db2.gz	RMVMMKQMVJJHEL-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H]1CCC[C@H]([NH2+]CC)C1	86063740	572853107	/nfs/dbraw/zinc/85/31/07/572853107.db2.gz	VCJQVHGKJOJYDV-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@@H]1CC[C@H]([NH2+]CCC)C1	86063719	572853113	/nfs/dbraw/zinc/85/31/13/572853113.db2.gz	LMEGPYOSXGFETJ-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@H]1CCC[C@@H]([NH2+]CC)C1	86063733	572853118	/nfs/dbraw/zinc/85/31/18/572853118.db2.gz	VCJQVHGKJOJYDV-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)CC(C)(C)C[C@@H](C)[NH2+]CC	86064009	572853122	/nfs/dbraw/zinc/85/31/22/572853122.db2.gz	HQADHEVHHCIBSH-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]1CCC[C@@H]([NH2+]CC)C1	86063739	572853210	/nfs/dbraw/zinc/85/32/10/572853210.db2.gz	VCJQVHGKJOJYDV-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)CCC[C@@H]([NH2+]CC)C(C)C	86063835	572853218	/nfs/dbraw/zinc/85/32/18/572853218.db2.gz	CCJRFUFRZPBTGW-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CC[C@H](C)C[NH2+]C(C)(C)C	86063926	572853285	/nfs/dbraw/zinc/85/32/85/572853285.db2.gz	HLVJAVNVSPOWPY-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)c1cccs1	86060582	572853344	/nfs/dbraw/zinc/85/33/44/572853344.db2.gz	RSGATMNCABPIBH-SNVBAGLBSA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(C)CCC[C@@H](CCC)[NH2+]C	86063759	572853355	/nfs/dbraw/zinc/85/33/55/572853355.db2.gz	UCFLQNYIYOALLN-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CCC)c1ccoc1	86061745	572853409	/nfs/dbraw/zinc/85/34/09/572853409.db2.gz	AFOMYRDGSGNNAD-LBPRGKRZSA-N	1	0	193.290	3.287	10	30		AGEERO
C=C(Cl)C[N@@H+](C)[C@@H](C)CC(C)C	307961107	572853603	/nfs/dbraw/zinc/85/36/03/572853603.db2.gz	LBPCKQHNHLUMCG-JTQLQIEISA-N	1	0	189.730	3.105	10	30		AGEERO
CC(CCC(C)C)=[NH+]n1cccc1	308145855	572853746	/nfs/dbraw/zinc/85/37/46/572853746.db2.gz	LNEVULGDSGAGLN-UHFFFAOYSA-N	1	0	178.279	3.148	10	30		AGEERO
C=CCC[N@H+]1CCCCC(C)(C)C1	306926451	572854422	/nfs/dbraw/zinc/85/44/22/572854422.db2.gz	QCZLUXALOOOGOI-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]C1(C)CCC1	308147595	572856021	/nfs/dbraw/zinc/85/60/21/572856021.db2.gz	MMWLFULOUHCLMX-QWRGUYRKSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C(CC)C[N@@H+](C)C(CC)CC	307962184	572856316	/nfs/dbraw/zinc/85/63/16/572856316.db2.gz	YACKISYKWJVREY-UHFFFAOYSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[NH2+]C1(C)CCC1	308147593	572857281	/nfs/dbraw/zinc/85/72/81/572857281.db2.gz	MMWLFULOUHCLMX-GHMZBOCLSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[NH2+]C1(C)CCC1	308147594	572857394	/nfs/dbraw/zinc/85/73/94/572857394.db2.gz	MMWLFULOUHCLMX-MNOVXSKESA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]C1(C)CCC1	308147596	572857465	/nfs/dbraw/zinc/85/74/65/572857465.db2.gz	MMWLFULOUHCLMX-WDEREUQCSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C[C@@H](CC[NH3+])CC1CCCCC1	238597086	572857510	/nfs/dbraw/zinc/85/75/10/572857510.db2.gz	WBTZVXFEISHLFO-NSHDSACASA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])C1(CCC)CC1	308148297	572859940	/nfs/dbraw/zinc/85/99/40/572859940.db2.gz	PJBPHVLBWFLLCV-LLVKDONJSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C1(CCC)CC1	308148298	572860233	/nfs/dbraw/zinc/86/02/33/572860233.db2.gz	PJBPHVLBWFLLCV-NSHDSACASA-N	1	0	181.323	3.250	10	30		AGEERO
C=CC[C@H](C[NH3+])CC1CCCCC1	238598937	572860819	/nfs/dbraw/zinc/86/08/19/572860819.db2.gz	HWFULLRXVWYABA-LBPRGKRZSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(C)C[C@@](C)(CC)C[NH2+]C(C)C	317549714	572865595	/nfs/dbraw/zinc/86/55/95/572865595.db2.gz	XYHFRPPHSQXAKI-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
CC1C(C)(C)[P+](C)(C)C1(C)C	71779545	572866487	/nfs/dbraw/zinc/86/64/87/572866487.db2.gz	VJYWGSSBTLCQNG-UHFFFAOYSA-N	1	0	173.260	3.471	10	30		AGEERO
C=C(C)[C@@H]1CCCC[C@@]1(C)CC[NH3+]	75575816	572869100	/nfs/dbraw/zinc/86/91/00/572869100.db2.gz	VTEXIKWEGBZYCO-RYUDHWBXSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(C)[C@H]1CCCC[C@]1(C)CC[NH3+]	75575819	572869694	/nfs/dbraw/zinc/86/96/94/572869694.db2.gz	VTEXIKWEGBZYCO-VXGBXAGGSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(C)[C@@H]1CCCC[C@]1(C)CC[NH3+]	75575818	572870355	/nfs/dbraw/zinc/87/03/55/572870355.db2.gz	VTEXIKWEGBZYCO-NWDGAFQWSA-N	1	0	181.323	3.108	10	30		AGEERO
C=CCCCC1(C[NH3+])CCCCC1	238613342	572871753	/nfs/dbraw/zinc/87/17/53/572871753.db2.gz	SDHVGXATQPBRPT-UHFFFAOYSA-N	1	0	181.323	3.252	10	30		AGEERO
C=C[C@H](C)[N@H+](C)Cc1sccc1C	308155789	572873125	/nfs/dbraw/zinc/87/31/25/572873125.db2.gz	RDUFIINMCMKMBZ-JTQLQIEISA-N	1	0	195.331	3.063	10	30		AGEERO
C=C[C@@H](C)[N@H+](C)Cc1sccc1C	308155791	572873222	/nfs/dbraw/zinc/87/32/22/572873222.db2.gz	RDUFIINMCMKMBZ-SNVBAGLBSA-N	1	0	195.331	3.063	10	30		AGEERO
C=C([C@H]([NH3+])CCCCC)C(F)(F)F	308157582	572878287	/nfs/dbraw/zinc/87/82/87/572878287.db2.gz	UWYAHWCFHPVLCE-MRVPVSSYSA-N	1	0	195.228	3.013	10	30		AGEERO
C=C(C)C[N@@H+](C)CCCCCC	307971618	572881470	/nfs/dbraw/zinc/88/14/70/572881470.db2.gz	HMTKLDOYMUDQKJ-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=CCCC[C@H]([NH3+])C1(CCC)CC1	308165466	572882782	/nfs/dbraw/zinc/88/27/82/572882782.db2.gz	ZDUMCEKBYLASLK-NSHDSACASA-N	1	0	181.323	3.250	10	30		AGEERO
C=C1CCC[C@@H]2[NH2+][C@@H](CCC)CC[C@H]12	307059294	572887410	/nfs/dbraw/zinc/88/74/10/572887410.db2.gz	HKQGXMNYEYQBTM-XQQFMLRXSA-N	1	0	193.334	3.263	10	30		AGEERO
CCCCCCCCC[C@H]1CC[NH2+]1	118806533	572886783	/nfs/dbraw/zinc/88/67/83/572886783.db2.gz	KVHWTSSNALGPQK-LBPRGKRZSA-N	1	0	183.339	3.489	10	30		AGEERO
CCCCCCC[N@H+](C)C1CC1	307970067	572887252	/nfs/dbraw/zinc/88/72/52/572887252.db2.gz	GJJQHHREJCZCKY-UHFFFAOYSA-N	1	0	169.312	3.051	10	30		AGEERO
C=CCCC1(C[NH3+])CCC(C)CC1	308166944	572887625	/nfs/dbraw/zinc/88/76/25/572887625.db2.gz	ZSGWZQWAKCMBEW-UHFFFAOYSA-N	1	0	181.323	3.108	10	30		AGEERO
C=CC[N@H+]1CCCCC[C@H]1C(C)C	307070851	572887828	/nfs/dbraw/zinc/88/78/28/572887828.db2.gz	WAQONOKCPDNZHB-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[N@@H+](C)CCCCCCC	308169387	572889710	/nfs/dbraw/zinc/88/97/10/572889710.db2.gz	ATHYVGYDGKCEMG-UHFFFAOYSA-N	1	0	183.339	3.465	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@H]1CCCC[C@@H]1C	307079936	572890339	/nfs/dbraw/zinc/89/03/39/572890339.db2.gz	RJCHQVYWKFTUDQ-SRVKXCTJSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1csc(C)c1C	307081559	572891496	/nfs/dbraw/zinc/89/14/96/572891496.db2.gz	HAYUWXKDHDWITO-LLVKDONJSA-N	1	0	195.331	3.331	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@@H](C)CC1CCC1	308162664	572891535	/nfs/dbraw/zinc/89/15/35/572891535.db2.gz	VXZYAKLTSAZZID-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@H]1CCCC[C@H]1C	307079940	572891800	/nfs/dbraw/zinc/89/18/00/572891800.db2.gz	RJCHQVYWKFTUDQ-WOPDTQHZSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@H]1CCC[C@H]1CC	308172417	572892614	/nfs/dbraw/zinc/89/26/14/572892614.db2.gz	BWZPNFPQQOFKFA-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@H]1CCC[C@@H]1CC	308172419	572893221	/nfs/dbraw/zinc/89/32/21/572893221.db2.gz	BWZPNFPQQOFKFA-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@@H]1CCC[C@H]1CC	308172420	572893378	/nfs/dbraw/zinc/89/33/78/572893378.db2.gz	BWZPNFPQQOFKFA-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@@H+](C[C@@H](C)CCC)C(C)C	308172334	572893623	/nfs/dbraw/zinc/89/36/23/572893623.db2.gz	BSROWCPHHJGLAF-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(C)C[NH2+][C@@H](CC)[C@H](C)CCC	308174721	572897376	/nfs/dbraw/zinc/89/73/76/572897376.db2.gz	CWNPOXNQQJSKKV-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[N@@H+](CC)[C@@H]1CCC[C@H]1C	308174704	572897866	/nfs/dbraw/zinc/89/78/66/572897866.db2.gz	CVRHYTWTGRGOFT-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[NH2+][C@H](CC)[C@@H](C)CCC	308174722	572897895	/nfs/dbraw/zinc/89/78/95/572897895.db2.gz	CWNPOXNQQJSKKV-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+]CC1C(C)(C)C1(C)C	86239942	572898512	/nfs/dbraw/zinc/89/85/12/572898512.db2.gz	MCBJLLYNGRCRGL-UHFFFAOYSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CCCC[NH2+]CC1C(C)(C)C1(C)C	86240067	572899839	/nfs/dbraw/zinc/89/98/39/572899839.db2.gz	WRVBDBXWXAJFRY-UHFFFAOYSA-N	1	0	195.350	3.224	10	30		AGEERO
C=C(CC)C[N@H+](C)[C@H]1CC[C@@H](C)C1	308181474	572901958	/nfs/dbraw/zinc/90/19/58/572901958.db2.gz	HMBJAWQJYUUJDK-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[N@H+](C)[C@@H]1CC[C@H](C)C1	308181476	572902617	/nfs/dbraw/zinc/90/26/17/572902617.db2.gz	HMBJAWQJYUUJDK-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[N@H+](C)[C@@H]1CC[C@@H](C)C1	308181480	572902920	/nfs/dbraw/zinc/90/29/20/572902920.db2.gz	HMBJAWQJYUUJDK-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[NH2+]CC1CCCC1	308180507	572906298	/nfs/dbraw/zinc/90/62/98/572906298.db2.gz	CCBSHYBFLGGEKO-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=CCCC[N@@H+](C)[C@H]1CC[C@H](C)C1	308187655	572912727	/nfs/dbraw/zinc/91/27/27/572912727.db2.gz	LCSMEHRJEYUEQF-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@@H+](C)[C@@H]1CC[C@@H](C)C1	308187656	572913180	/nfs/dbraw/zinc/91/31/80/572913180.db2.gz	LCSMEHRJEYUEQF-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C#C[NH2+]C1(c2ccccc2)CCCCC1	238003519	572913184	/nfs/dbraw/zinc/91/31/84/572913184.db2.gz	CEQXIKNIGQWLRE-UHFFFAOYSA-N	1	0	199.297	3.026	10	30		AGEERO
C=CCCC[N@@H+](C)[C@H]1CC[C@@H](C)C1	308187653	572914356	/nfs/dbraw/zinc/91/43/56/572914356.db2.gz	LCSMEHRJEYUEQF-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](CCCC)[NH2+]CCC	86315569	572915331	/nfs/dbraw/zinc/91/53/31/572915331.db2.gz	VAHJTWNPWQZLSH-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[C@@H](CCCC)[NH2+]CC	86315461	572915474	/nfs/dbraw/zinc/91/54/74/572915474.db2.gz	FKVQWBFYDZADFQ-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC[C@@H](CCCC)[NH2+]CCC	86315570	572915483	/nfs/dbraw/zinc/91/54/83/572915483.db2.gz	VAHJTWNPWQZLSH-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)C[C@H](CCCC)[NH2+]C	86315287	572915634	/nfs/dbraw/zinc/91/56/34/572915634.db2.gz	VWHGUDRVMYNZNG-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC(CC=C)[NH2+]C1CCCCC1	238047270	572915699	/nfs/dbraw/zinc/91/56/99/572915699.db2.gz	LMHZSEQNEOHGKX-UHFFFAOYSA-N	1	0	193.334	3.430	10	30		AGEERO
C=CCCC[C@H](CCCC)[NH2+]C	86315241	572915765	/nfs/dbraw/zinc/91/57/65/572915765.db2.gz	JIFWZPDFJXLEIZ-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@@H](CCCC)[NH2+]CC	86315336	572916283	/nfs/dbraw/zinc/91/62/83/572916283.db2.gz	PLDMVFLMLGIVKH-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(CC)C[C@@H](CCCC)[NH2+]C	86315288	572916344	/nfs/dbraw/zinc/91/63/44/572916344.db2.gz	VWHGUDRVMYNZNG-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[C@H](CCCC)[NH2+]CC	86315460	572916633	/nfs/dbraw/zinc/91/66/33/572916633.db2.gz	FKVQWBFYDZADFQ-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)[C@H](CCCC)[NH2+]CCC	86315546	572916997	/nfs/dbraw/zinc/91/69/97/572916997.db2.gz	KXPQKGHXTZOBAQ-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@H](CCCC)[NH2+]CC	86315335	572917345	/nfs/dbraw/zinc/91/73/45/572917345.db2.gz	PLDMVFLMLGIVKH-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)CCC(C)(C)C	308189287	572918877	/nfs/dbraw/zinc/91/88/77/572918877.db2.gz	MKKUWKLLCCQGSF-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@@H](CCCC)[NH2+]C(C)C	86322445	572918079	/nfs/dbraw/zinc/91/80/79/572918079.db2.gz	HGIMLXWMNSGKSC-LLVKDONJSA-N	1	0	169.312	3.119	10	30		AGEERO
C=C(C)[C@H](CCCC)[NH2+]C(C)C	86322442	572918700	/nfs/dbraw/zinc/91/87/00/572918700.db2.gz	HGIMLXWMNSGKSC-NSHDSACASA-N	1	0	169.312	3.119	10	30		AGEERO
C=CC[C@H](CCCC)[NH2+]C(C)C	86322552	572919123	/nfs/dbraw/zinc/91/91/23/572919123.db2.gz	UDIBXVDPZWFAMG-LLVKDONJSA-N	1	0	169.312	3.119	10	30		AGEERO
C=CC[C@@H](CCCC)[NH2+]C(C)C	86322555	572919217	/nfs/dbraw/zinc/91/92/17/572919217.db2.gz	UDIBXVDPZWFAMG-NSHDSACASA-N	1	0	169.312	3.119	10	30		AGEERO
C=CC[NH2+][C@@H](C)CC1CCCCC1	689780042	572919701	/nfs/dbraw/zinc/91/97/01/572919701.db2.gz	XMPFSKCELGZVKB-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[NH2+][C@H](C)CC1CCCCC1	689780041	572919804	/nfs/dbraw/zinc/91/98/04/572919804.db2.gz	XMPFSKCELGZVKB-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[N@@H+](C)C/C=C/C	308190667	572921756	/nfs/dbraw/zinc/92/17/56/572921756.db2.gz	NOCSLHZTDKNDFC-FNORWQNLSA-N	1	0	181.323	3.241	10	30		AGEERO
C=C(CC)C[C@@]1(C[NH3+])CC[C@@H](C)C1	308190641	572920778	/nfs/dbraw/zinc/92/07/78/572920778.db2.gz	NLWPNOJUFNAHPQ-NEPJUHHUSA-N	1	0	181.323	3.108	10	30		AGEERO
C=CCCCCC[N@@H+](C)C/C=C\C	308190666	572921063	/nfs/dbraw/zinc/92/10/63/572921063.db2.gz	NOCSLHZTDKNDFC-ALCCZGGFSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CC[NH2+][C@H](C=C)/C=C/c1ccccc1	238074617	572921502	/nfs/dbraw/zinc/92/15/02/572921502.db2.gz	LRTSBCHXANXEHP-PLSXKVAHSA-N	1	0	199.297	3.030	10	30		AGEERO
C=CC[NH2+]C1(CC(=C)C)CCCCC1	238078118	572921644	/nfs/dbraw/zinc/92/16/44/572921644.db2.gz	BOSJJKTZSIMBPC-UHFFFAOYSA-N	1	0	193.334	3.431	10	30		AGEERO
C=C(CC)C[C@]1(C[NH3+])CC[C@H](C)C1	308190642	572921716	/nfs/dbraw/zinc/92/17/16/572921716.db2.gz	NLWPNOJUFNAHPQ-NWDGAFQWSA-N	1	0	181.323	3.108	10	30		AGEERO
C=CC[NH2+]C(C)(CC(=C)C)CC(=C)C	238076748	572922262	/nfs/dbraw/zinc/92/22/62/572922262.db2.gz	AVFJKNQRIMFRNJ-UHFFFAOYSA-N	1	0	193.334	3.453	10	30		AGEERO
C=CC[NH2+][C@@H](C=C)/C=C/c1ccccc1	238073717	572922268	/nfs/dbraw/zinc/92/22/68/572922268.db2.gz	LRTSBCHXANXEHP-VNDWYCCKSA-N	1	0	199.297	3.030	10	30		AGEERO
CCCCCCC[C@@H](F)C(C)(C)[NH3+]	308200766	572928163	/nfs/dbraw/zinc/92/81/63/572928163.db2.gz	PQCOQSADZUSZMY-SNVBAGLBSA-N	1	0	189.318	3.422	10	30		AGEERO
CCCCCCC[C@H](F)C(C)(C)[NH3+]	308200765	572928383	/nfs/dbraw/zinc/92/83/83/572928383.db2.gz	PQCOQSADZUSZMY-JTQLQIEISA-N	1	0	189.318	3.422	10	30		AGEERO
C=CC[C@@H]1Cc2ccccc2[C@@H](C=C)[NH2+]1	238090679	572929121	/nfs/dbraw/zinc/92/91/21/572929121.db2.gz	LGZKQDUPTJRGAN-TZMCWYRMSA-N	1	0	199.297	3.004	10	30		AGEERO
C=CC[C@@H]1Cc2ccccc2[C@H](C=C)[NH2+]1	238090711	572929251	/nfs/dbraw/zinc/92/92/51/572929251.db2.gz	LGZKQDUPTJRGAN-OCCSQVGLSA-N	1	0	199.297	3.004	10	30		AGEERO
C=CC[C@H]1C=C(c2ccccc2)C=C[NH2+]1	238090886	572929307	/nfs/dbraw/zinc/92/93/07/572929307.db2.gz	MMQYQOATBMXTAV-AWEZNQCLSA-N	1	0	197.281	3.132	10	30		AGEERO
C=CCC(C)(CC=C)[NH2+]CC(=C)C	238089050	572929557	/nfs/dbraw/zinc/92/95/57/572929557.db2.gz	HJTUYKWFECSIKE-UHFFFAOYSA-N	1	0	179.307	3.063	10	30		AGEERO
C=CC[C@H]1Cc2ccccc2[C@H](C=C)[NH2+]1	238097437	572930790	/nfs/dbraw/zinc/93/07/90/572930790.db2.gz	LGZKQDUPTJRGAN-JSGCOSHPSA-N	1	0	199.297	3.004	10	30		AGEERO
C=CC[C@H]1Cc2ccccc2[C@@H](C=C)[NH2+]1	238097410	572931153	/nfs/dbraw/zinc/93/11/53/572931153.db2.gz	LGZKQDUPTJRGAN-GXTWGEPZSA-N	1	0	199.297	3.004	10	30		AGEERO
C=C(C)CCC1(C[NH3+])CCCCC1	308203537	572931644	/nfs/dbraw/zinc/93/16/44/572931644.db2.gz	WYVHEQPGJKNTNQ-UHFFFAOYSA-N	1	0	181.323	3.252	10	30		AGEERO
C=C[C@H](C[NH2+]C(C)(C)C)[Si](C)(C)C	238105882	572932401	/nfs/dbraw/zinc/93/24/01/572932401.db2.gz	ZORSVAHICVDTLS-SNVBAGLBSA-N	1	0	199.414	3.269	10	30		AGEERO
CCCCCCCC[C@@H]1C=CC[NH2+]1	308203852	572933221	/nfs/dbraw/zinc/93/32/21/572933221.db2.gz	XEUTVWQJFJRQBJ-GFCCVEGCSA-N	1	0	181.323	3.265	10	30		AGEERO
C=C(CC)C[N@H+](C)[C@H](C)CC(C)C	308203865	572933292	/nfs/dbraw/zinc/93/32/92/572933292.db2.gz	XFKKXAHIHRCEDS-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
C=Cc1ccc([C@H]2CC[C@H](C=C)[NH2+]2)cc1	238126892	572934057	/nfs/dbraw/zinc/93/40/57/572934057.db2.gz	GBVBOAVWSTVUSJ-UONOGXRCSA-N	1	0	199.297	3.309	10	30		AGEERO
CCCCCCCC[C@H]1C=CC[NH2+]1	308203853	572934105	/nfs/dbraw/zinc/93/41/05/572934105.db2.gz	XEUTVWQJFJRQBJ-LBPRGKRZSA-N	1	0	181.323	3.265	10	30		AGEERO
C/C(CC(C)C)=N\[C@@H](C)CC(C)(C)[NH3+]	238118145	572934280	/nfs/dbraw/zinc/93/42/80/572934280.db2.gz	UOWGSMDZKRZDDW-IWQAVIMZSA-N	1	0	198.354	3.009	10	30		AGEERO
C=C[C@@H](C[NH2+]C(C)(C)C)[Si](C)(C)C	238106822	572934324	/nfs/dbraw/zinc/93/43/24/572934324.db2.gz	ZORSVAHICVDTLS-JTQLQIEISA-N	1	0	199.414	3.269	10	30		AGEERO
C=Cc1ccccc1[C@@H]1CC[C@H](C=C)[NH2+]1	238126512	572934850	/nfs/dbraw/zinc/93/48/50/572934850.db2.gz	BUUUXNUVYXJURY-JSGCOSHPSA-N	1	0	199.297	3.309	10	30		AGEERO
C=Cc1ccc([C@@H]2CC[C@H](C=C)[NH2+]2)cc1	238126385	572934859	/nfs/dbraw/zinc/93/48/59/572934859.db2.gz	GBVBOAVWSTVUSJ-KBPBESRZSA-N	1	0	199.297	3.309	10	30		AGEERO
C=CC[NH2+]CC1=CC[C@H](C(=C)C)CC1	238122542	572935341	/nfs/dbraw/zinc/93/53/41/572935341.db2.gz	AHSJGGGGFWTPBB-ZDUSSCGKSA-N	1	0	191.318	3.065	10	30		AGEERO
C=Cc1cccc([C@H]2CC[C@H](C=C)[NH2+]2)c1	238126948	572935540	/nfs/dbraw/zinc/93/55/40/572935540.db2.gz	VAQMQDOLDGWARW-UONOGXRCSA-N	1	0	199.297	3.309	10	30		AGEERO
C=Cc1cccc([C@@H]2CC[C@H](C=C)[NH2+]2)c1	238126447	572936272	/nfs/dbraw/zinc/93/62/72/572936272.db2.gz	VAQMQDOLDGWARW-KBPBESRZSA-N	1	0	199.297	3.309	10	30		AGEERO
C/C(CC(C)C)=N\[C@H](C)CC(C)(C)[NH3+]	238118169	572936361	/nfs/dbraw/zinc/93/63/61/572936361.db2.gz	UOWGSMDZKRZDDW-ZTMOJVSCSA-N	1	0	198.354	3.009	10	30		AGEERO
C=C[C@H](C)[C@@](C)(CC)C[NH2+]C(C)C	317438153	572937047	/nfs/dbraw/zinc/93/70/47/572937047.db2.gz	TUJAVUQHHBTTDL-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=Cc1ccccc1[C@H]1CC[C@@H](C=C)[NH2+]1	238114149	572937572	/nfs/dbraw/zinc/93/75/72/572937572.db2.gz	BUUUXNUVYXJURY-TZMCWYRMSA-N	1	0	199.297	3.309	10	30		AGEERO
C=C[C@@H](C)[C@@](C)(CC)C[NH2+]C(C)C	317438150	572937560	/nfs/dbraw/zinc/93/75/60/572937560.db2.gz	TUJAVUQHHBTTDL-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=Cc1ccc([C@@H]2CC[C@@H](C=C)[NH2+]2)cc1	238113402	572937686	/nfs/dbraw/zinc/93/76/86/572937686.db2.gz	GBVBOAVWSTVUSJ-KGLIPLIRSA-N	1	0	199.297	3.309	10	30		AGEERO
C=CC[C@@H]([NH2+]C(C)(C)C)[Si](C)(C)C	238111892	572938058	/nfs/dbraw/zinc/93/80/58/572938058.db2.gz	BYKYKXKOAWKYSY-JTQLQIEISA-N	1	0	199.414	3.197	10	30		AGEERO
C=C[C@H](C)[C@](C)(CC)C[NH2+]C(C)C	317438151	572938196	/nfs/dbraw/zinc/93/81/96/572938196.db2.gz	TUJAVUQHHBTTDL-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C[C@@H](C)[C@](C)(CC)C[NH2+]C(C)C	317438154	572938421	/nfs/dbraw/zinc/93/84/21/572938421.db2.gz	TUJAVUQHHBTTDL-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C[C@H]([NH2+]C(C)(C)C)c1ccccc1	238109809	572938628	/nfs/dbraw/zinc/93/86/28/572938628.db2.gz	PTAUIIGVZSVPCY-LBPRGKRZSA-N	1	0	189.302	3.302	10	30		AGEERO
CC[C@@H](CC#N)[N@@H+](CC)C[C@H](C)CC	86437668	572939497	/nfs/dbraw/zinc/93/94/97/572939497.db2.gz	SALRFVHDJXMPTL-NEPJUHHUSA-N	1	0	196.338	3.047	10	30		AGEERO
CC[C@H](C)C[N@H+](CC)[C@@H](CC)CC#N	86437669	572939624	/nfs/dbraw/zinc/93/96/24/572939624.db2.gz	SALRFVHDJXMPTL-RYUDHWBXSA-N	1	0	196.338	3.047	10	30		AGEERO
CCC(CC)[N@H+](CC(C)C)[C@@H](C)C#N	86453469	572940653	/nfs/dbraw/zinc/94/06/53/572940653.db2.gz	GJDZRGZNTYRXET-NSHDSACASA-N	1	0	196.338	3.045	10	30		AGEERO
C=CCCC[NH2+]CCCC(C)(C)C	308198484	572942550	/nfs/dbraw/zinc/94/25/50/572942550.db2.gz	STLIXEVIEOBJTG-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
CCCCCCCC[N@H+](C)C1CC1	308209968	572943156	/nfs/dbraw/zinc/94/31/56/572943156.db2.gz	FYRYYXJAKSBHNA-UHFFFAOYSA-N	1	0	183.339	3.441	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+][C@@H](C)CC=C	308212547	572944171	/nfs/dbraw/zinc/94/41/71/572944171.db2.gz	HEOSFFASOADUTK-NWDGAFQWSA-N	1	0	181.323	3.285	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H](C)CC=C	308212549	572944492	/nfs/dbraw/zinc/94/44/92/572944492.db2.gz	HEOSFFASOADUTK-RYUDHWBXSA-N	1	0	181.323	3.285	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+][C@H](C)CC=C	308212550	572945138	/nfs/dbraw/zinc/94/51/38/572945138.db2.gz	HEOSFFASOADUTK-VXGBXAGGSA-N	1	0	181.323	3.285	10	30		AGEERO
C=CCCCCC[N@@H+](CC)CC=C	308212150	572945219	/nfs/dbraw/zinc/94/52/19/572945219.db2.gz	GXCNEPXCJQHHOZ-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CCCCCC[NH2+]CCCCF	308189775	572945653	/nfs/dbraw/zinc/94/56/53/572945653.db2.gz	IKLZLJPCRWNLRO-UHFFFAOYSA-N	1	0	187.302	3.072	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)CC	308208891	572947404	/nfs/dbraw/zinc/94/74/04/572947404.db2.gz	FFQZJFKEZWCDKG-IJLUTSLNSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CC	308208892	572947495	/nfs/dbraw/zinc/94/74/95/572947495.db2.gz	FFQZJFKEZWCDKG-QJPTWQEYSA-N	1	0	181.323	3.119	10	30		AGEERO
CCCCCCC[NH2+]CCCCF	308214334	572948024	/nfs/dbraw/zinc/94/80/24/572948024.db2.gz	YMTJNOQWCBNSHR-UHFFFAOYSA-N	1	0	189.318	3.296	10	30		AGEERO
C=CCC[N@H+](C1CC1)[C@@H](C)CCC	308214466	572949104	/nfs/dbraw/zinc/94/91/04/572949104.db2.gz	IGNNLTKYFBVMBH-NSHDSACASA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(CC)C/C=C/CC[NH2+]C1CC1	86571857	572956748	/nfs/dbraw/zinc/95/67/48/572956748.db2.gz	QYVMRTKSNMMXLO-SNAWJCMRSA-N	1	0	179.307	3.041	10	30		AGEERO
CC#CC/C(C)=C/CC[NH2+]C(C)(C)C	86572948	572957093	/nfs/dbraw/zinc/95/70/93/572957093.db2.gz	DYEVVLBSTDEWHT-ZRDIBKRKSA-N	1	0	193.334	3.124	10	30		AGEERO
C=CCC/C(C)=C\CC[NH2+]C(C)C	86572761	572957347	/nfs/dbraw/zinc/95/73/47/572957347.db2.gz	LJOHXSSEAJVEOW-XFXZXTDPSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCC/C(C)=C/CC[NH2+]C1CC1	86572861	572957463	/nfs/dbraw/zinc/95/74/63/572957463.db2.gz	SLEJDEBDEWHVKR-YRNVUSSQSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CCC(C)(C)[C@@H]([NH3+])c1ccccc1	238163834	572958347	/nfs/dbraw/zinc/95/83/47/572958347.db2.gz	QRZDKCNBUVHGAA-LBPRGKRZSA-N	1	0	189.302	3.289	10	30		AGEERO
C=CCC(C)(C)[C@H]([NH3+])c1ccccc1	238164206	572958544	/nfs/dbraw/zinc/95/85/44/572958544.db2.gz	QRZDKCNBUVHGAA-GFCCVEGCSA-N	1	0	189.302	3.289	10	30		AGEERO
C=C/C=C/CC[NH2+]C(C)(C)CCC=C	713653006	572959866	/nfs/dbraw/zinc/95/98/66/572959866.db2.gz	NDOQBQUMMDFSNY-VQHVLOKHSA-N	1	0	193.334	3.453	10	30		AGEERO
C=CCCCC/C=C1/CC[C@@H]([NH3+])C1	236290608	572960225	/nfs/dbraw/zinc/96/02/25/572960225.db2.gz	UHYQPNADGCNKPU-SEVUFMINSA-N	1	0	179.307	3.170	10	30		AGEERO
C=CC[C@H]([NH3+])c1ccccc1C(C)C	238170260	572962240	/nfs/dbraw/zinc/96/22/40/572962240.db2.gz	WQVTZOKOEAXBDE-ZDUSSCGKSA-N	1	0	189.302	3.386	10	30		AGEERO
C=CC[C@@H]([NH3+])c1ccccc1C(C)C	238170964	572963677	/nfs/dbraw/zinc/96/36/77/572963677.db2.gz	WQVTZOKOEAXBDE-CYBMUJFWSA-N	1	0	189.302	3.386	10	30		AGEERO
C=C[C@@H]([NH3+])c1cccc(CC(C)C)c1	238174758	572965475	/nfs/dbraw/zinc/96/54/75/572965475.db2.gz	QUBPXOWTSZHRKX-CYBMUJFWSA-N	1	0	189.302	3.071	10	30		AGEERO
C=C[C@@H](CC[NH2+]C(C)C)[Si](C)(C)C	238175608	572966481	/nfs/dbraw/zinc/96/64/81/572966481.db2.gz	JYJDPAKATIOSLA-NSHDSACASA-N	1	0	199.414	3.269	10	30		AGEERO
C=C[C@H]([NH3+])c1cccc(CC(C)C)c1	238174434	572966987	/nfs/dbraw/zinc/96/69/87/572966987.db2.gz	QUBPXOWTSZHRKX-ZDUSSCGKSA-N	1	0	189.302	3.071	10	30		AGEERO
C=C[C@H](CC[NH2+]C(C)C)[Si](C)(C)C	238175305	572968262	/nfs/dbraw/zinc/96/82/62/572968262.db2.gz	JYJDPAKATIOSLA-LLVKDONJSA-N	1	0	199.414	3.269	10	30		AGEERO
C=C[C@H](C)[C@@]1(C[NH2+]CC)CC[C@@H](C)C1	317448040	572968492	/nfs/dbraw/zinc/96/84/92/572968492.db2.gz	MVXVTALHQNYEAZ-AGIUHOORSA-N	1	0	195.350	3.224	10	30		AGEERO
CCCCCCCC[NH2+]C(C)C	59337891	572969638	/nfs/dbraw/zinc/96/96/38/572969638.db2.gz	FXGYFSUEXFAPHG-UHFFFAOYSA-N	1	0	171.328	3.345	10	30		AGEERO
C=CCCCCC[C@@H]1CCC[C@H]1[NH3+]	236296956	572970001	/nfs/dbraw/zinc/97/00/01/572970001.db2.gz	UOEVJBIHQRBGSV-VXGBXAGGSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])CC=C	236301096	572972441	/nfs/dbraw/zinc/97/24/41/572972441.db2.gz	IEYPTDFZCWEAEI-LLVKDONJSA-N	1	0	167.296	3.026	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1ccoc1Cl	236300433	572974314	/nfs/dbraw/zinc/97/43/14/572974314.db2.gz	HXMSTFVFLRCSRQ-VIFPVBQESA-N	1	0	199.681	3.289	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])CC1CC1	236301035	572972839	/nfs/dbraw/zinc/97/28/39/572972839.db2.gz	BIWZHOSFNQNEGG-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1ccc(Cl)o1	236300309	572974418	/nfs/dbraw/zinc/97/44/18/572974418.db2.gz	NHNHVALXIGJQDB-QMMMGPOBSA-N	1	0	199.681	3.289	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])c1ccco1	236303504	572976183	/nfs/dbraw/zinc/97/61/83/572976183.db2.gz	YWUMHQQOIUVRCW-NSHDSACASA-N	1	0	193.290	3.416	10	30		AGEERO
C=CCCCCC[C@H]([NH3+])c1ccoc1	236303603	572976744	/nfs/dbraw/zinc/97/67/44/572976744.db2.gz	HBPYTRIHTPKBNI-LBPRGKRZSA-N	1	0	193.290	3.416	10	30		AGEERO
CCCCCCC#CCCCCC[NH3+]	238192497	572978484	/nfs/dbraw/zinc/97/84/84/572978484.db2.gz	GVXQZWYFMHUILT-UHFFFAOYSA-N	1	0	195.350	3.479	10	30		AGEERO
C=CCCCCCC1=C[C@H]([NH3+])CC1	236307259	572979446	/nfs/dbraw/zinc/97/94/46/572979446.db2.gz	PMCVCQABIOYMIL-GFCCVEGCSA-N	1	0	179.307	3.170	10	30		AGEERO
C=CCCCCC[C@H]1CCC[C@H]1[NH3+]	236307510	572982567	/nfs/dbraw/zinc/98/25/67/572982567.db2.gz	UOEVJBIHQRBGSV-NWDGAFQWSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])c1ccoc1	236316210	572985449	/nfs/dbraw/zinc/98/54/49/572985449.db2.gz	HBPYTRIHTPKBNI-GFCCVEGCSA-N	1	0	193.290	3.416	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])c1ccco1	236316156	572986048	/nfs/dbraw/zinc/98/60/48/572986048.db2.gz	YWUMHQQOIUVRCW-LLVKDONJSA-N	1	0	193.290	3.416	10	30		AGEERO
CCCCCCC[C@@](C)(F)[C@H](C)[NH3+]	308215941	572992458	/nfs/dbraw/zinc/99/24/58/572992458.db2.gz	ZUFDEQJFBDZCCZ-WDEREUQCSA-N	1	0	189.318	3.422	10	30		AGEERO
CCCCCCC[C@](C)(F)[C@@H](C)[NH3+]	308215939	572992653	/nfs/dbraw/zinc/99/26/53/572992653.db2.gz	ZUFDEQJFBDZCCZ-MNOVXSKESA-N	1	0	189.318	3.422	10	30		AGEERO
CCCCCCC[C@@H]1CC[C@@H]1[NH3+]	128273706	572993409	/nfs/dbraw/zinc/99/34/09/572993409.db2.gz	IGGNVCXELAQNNS-MNOVXSKESA-N	1	0	169.312	3.084	10	30		AGEERO
CCCCCCC[C@](C)(F)[C@H](C)[NH3+]	308215940	572993998	/nfs/dbraw/zinc/99/39/98/572993998.db2.gz	ZUFDEQJFBDZCCZ-QWRGUYRKSA-N	1	0	189.318	3.422	10	30		AGEERO
C=[NH+][C@H](C)C12CC3CC(CC(C3)C1)C2	104528648	572994503	/nfs/dbraw/zinc/99/45/03/572994503.db2.gz	QINUZJDRBRLOQV-HIVKSXORSA-N	1	0	191.318	3.292	10	30		AGEERO
CCCCCCC[C@@](C)(F)[C@@H](C)[NH3+]	308215938	572994529	/nfs/dbraw/zinc/99/45/29/572994529.db2.gz	ZUFDEQJFBDZCCZ-GHMZBOCLSA-N	1	0	189.318	3.422	10	30		AGEERO
C=[NH+][C@@H](C)C12CC3CC(CC(C3)C1)C2	104528652	572995416	/nfs/dbraw/zinc/99/54/16/572995416.db2.gz	QINUZJDRBRLOQV-TWJXAIAZSA-N	1	0	191.318	3.292	10	30		AGEERO
CCCCCCC[C@H]1CC[C@@H]1[NH3+]	128273954	572995954	/nfs/dbraw/zinc/99/59/54/572995954.db2.gz	IGGNVCXELAQNNS-QWRGUYRKSA-N	1	0	169.312	3.084	10	30		AGEERO
CCCCCCC[C@H]1CC[C@H]1[NH3+]	128274380	572998609	/nfs/dbraw/zinc/99/86/09/572998609.db2.gz	IGGNVCXELAQNNS-WDEREUQCSA-N	1	0	169.312	3.084	10	30		AGEERO
CCCCCCC[C@@H]1CC[C@H]1[NH3+]	128274164	572999597	/nfs/dbraw/zinc/99/95/97/572999597.db2.gz	IGGNVCXELAQNNS-GHMZBOCLSA-N	1	0	169.312	3.084	10	30		AGEERO
CCC(=[NH2+])Nc1c(C)cccc1Cl	85390637	573001838	/nfs/dbraw/zinc/00/18/38/573001838.db2.gz	LTKYREYFZUHKJQ-UHFFFAOYSA-N	1	0	196.681	3.047	10	30		AGEERO
C=C1CCC[C@@H]2[NH2+][C@@H](CCC)CC[C@@H]12	238244736	573001942	/nfs/dbraw/zinc/00/19/42/573001942.db2.gz	HKQGXMNYEYQBTM-AVGNSLFASA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCC[C@H](C)[NH2+]CC=C(C)C	308222506	573012785	/nfs/dbraw/zinc/01/27/85/573012785.db2.gz	CSQGTEVUANAQEV-LBPRGKRZSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CC[N@H+](CC1CC1)[C@@H](C)CCC	308224890	573015229	/nfs/dbraw/zinc/01/52/29/573015229.db2.gz	MOPAQJNIDZITAR-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)[C@H]1CC[C@@]2(C)CCC[NH2+][C@H]2C1	197975482	573015427	/nfs/dbraw/zinc/01/54/27/573015427.db2.gz	CHVZEYTXBKVLGR-RWMBFGLXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)C/C(C)=C/CC[NH2+]C(C)C	211798113	573017110	/nfs/dbraw/zinc/01/71/10/573017110.db2.gz	FZHGLQDQUBTNGP-KPKJPENVSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]CC1CCC1	308477426	573024576	/nfs/dbraw/zinc/02/45/76/573024576.db2.gz	MJBLIATXDXNZEP-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H]([NH3+])c1ccc(-c2ccco2)cc1	238609465	573026012	/nfs/dbraw/zinc/02/60/12/573026012.db2.gz	CKKZMXKDYWALJW-LBPRGKRZSA-N	1	0	199.253	3.132	10	30		AGEERO
C=CC[C@H]([NH2+]C)C(C)(C)C(C)(C)C	308227973	573027748	/nfs/dbraw/zinc/02/77/48/573027748.db2.gz	NREJWCQNRRLBGE-JTQLQIEISA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(C)CC[C@H]([NH3+])C1(CCC)CC1	308128583	573027995	/nfs/dbraw/zinc/02/79/95/573027995.db2.gz	CHDMRRIVCKEQSA-NSHDSACASA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]CCC1CC1	308477366	573028048	/nfs/dbraw/zinc/02/80/48/573028048.db2.gz	MFXTVLIVCPGKOK-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]CCC1CC1	308477365	573028174	/nfs/dbraw/zinc/02/81/74/573028174.db2.gz	MFXTVLIVCPGKOK-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@H](C)[C@H](C)C[NH2+]CC	87951997	573028530	/nfs/dbraw/zinc/02/85/30/573028530.db2.gz	ZCVITCYYFJTTBG-VXGBXAGGSA-N	1	0	183.339	3.224	10	30		AGEERO
C=C(CC)C/C(C)=C\CC[NH2+]C1CC1	211800164	573029562	/nfs/dbraw/zinc/02/95/62/573029562.db2.gz	QTCVWTKQNSBAAO-SDQBBNPISA-N	1	0	193.334	3.431	10	30		AGEERO
C=CC[C@@H](CCCCCC)[NH2+]C	128491500	573033718	/nfs/dbraw/zinc/03/37/18/573033718.db2.gz	MYHKFCYWTXIECL-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC/C(C)=C\CC[NH2+]C1CC1	211735387	573038448	/nfs/dbraw/zinc/03/84/48/573038448.db2.gz	SLEJDEBDEWHVKR-XFFZJAGNSA-N	1	0	179.307	3.041	10	30		AGEERO
CCCCCCC=[NH+]n1cccc1	308237422	573038620	/nfs/dbraw/zinc/03/86/20/573038620.db2.gz	RGMALXMFBLAIJM-UHFFFAOYSA-N	1	0	178.279	3.292	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]C1CCCC1	308233280	573040438	/nfs/dbraw/zinc/04/04/38/573040438.db2.gz	PTROSZJWXPJVEQ-LLVKDONJSA-N	1	0	181.323	3.263	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]C1CCCC1	308233282	573042589	/nfs/dbraw/zinc/04/25/89/573042589.db2.gz	PTROSZJWXPJVEQ-NSHDSACASA-N	1	0	181.323	3.263	10	30		AGEERO
C=CC[C@H]([NH2+]CC)c1csc(C)c1	128578641	573043594	/nfs/dbraw/zinc/04/35/94/573043594.db2.gz	IPCHLRKXSZMMRE-NSHDSACASA-N	1	0	195.331	3.283	10	30		AGEERO
C=C[C@@H](C)[N@@H+]1CCC(CC)(CC)C1	308248232	573044189	/nfs/dbraw/zinc/04/41/89/573044189.db2.gz	ZAPJVTQUMONLNJ-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[N@H+](CC)C(C)C	308248277	573044669	/nfs/dbraw/zinc/04/46/69/573044669.db2.gz	ZDCARFXTODKYMX-RYUDHWBXSA-N	1	0	183.339	3.317	10	30		AGEERO
C=CC[C@@H]([NH2+]CC)c1csc(C)c1	128578866	573045343	/nfs/dbraw/zinc/04/53/43/573045343.db2.gz	IPCHLRKXSZMMRE-LLVKDONJSA-N	1	0	195.331	3.283	10	30		AGEERO
CCCCCCC[N@@H+]1CC[C@H]1CC	308247677	573045657	/nfs/dbraw/zinc/04/56/57/573045657.db2.gz	XZYWBENTCWFMNM-GFCCVEGCSA-N	1	0	183.339	3.441	10	30		AGEERO
C=C(C)CC[C@H]([NH3+])C(C1CC1)C1CC1	308486667	573046548	/nfs/dbraw/zinc/04/65/48/573046548.db2.gz	OYZPOGUHKWLRMS-LBPRGKRZSA-N	1	0	193.334	3.106	10	30		AGEERO
C=C(C)CC[C@@H]([NH3+])C(C1CC1)C1CC1	308486666	573046914	/nfs/dbraw/zinc/04/69/14/573046914.db2.gz	OYZPOGUHKWLRMS-GFCCVEGCSA-N	1	0	193.334	3.106	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[N@H+](CC)C(C)C	308248278	573046938	/nfs/dbraw/zinc/04/69/38/573046938.db2.gz	ZDCARFXTODKYMX-VXGBXAGGSA-N	1	0	183.339	3.317	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1C[C@H]1CC	308248043	573047202	/nfs/dbraw/zinc/04/72/02/573047202.db2.gz	YSKSDLQTXXTABN-GRYCIOLGSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@H]1C[C@H]1CC	308248046	573047295	/nfs/dbraw/zinc/04/72/95/573047295.db2.gz	YSKSDLQTXXTABN-WOPDTQHZSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1C[C@@H]1CC	308248044	573047525	/nfs/dbraw/zinc/04/75/25/573047525.db2.gz	YSKSDLQTXXTABN-SDDRHHMPSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[N@H+](CC)C(C)C	308248276	573048354	/nfs/dbraw/zinc/04/83/54/573048354.db2.gz	ZDCARFXTODKYMX-NWDGAFQWSA-N	1	0	183.339	3.317	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H]1CC	308248045	573048613	/nfs/dbraw/zinc/04/86/13/573048613.db2.gz	YSKSDLQTXXTABN-SRVKXCTJSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C[C@H](C)[N@@H+]1CCC(CC)(CC)C1	308248233	573048635	/nfs/dbraw/zinc/04/86/35/573048635.db2.gz	ZAPJVTQUMONLNJ-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[N@@H+](C)CCCC	308248470	573050271	/nfs/dbraw/zinc/05/02/71/573050271.db2.gz	ZKYOSTOBHIBMQL-RYUDHWBXSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@H](CC)[C@@H]1C	308249753	573052395	/nfs/dbraw/zinc/05/23/95/573052395.db2.gz	ARUKQHBADRGGOS-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@@H](CC)[C@H]1C	308249754	573052411	/nfs/dbraw/zinc/05/24/11/573052411.db2.gz	ARUKQHBADRGGOS-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[N@@H+](C)CCCC	308248471	573053261	/nfs/dbraw/zinc/05/32/61/573053261.db2.gz	ZKYOSTOBHIBMQL-VXGBXAGGSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@@H](CC)[C@@H]1C	308249752	573053329	/nfs/dbraw/zinc/05/33/29/573053329.db2.gz	ARUKQHBADRGGOS-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)CCC=C(C)C	308250145	573056895	/nfs/dbraw/zinc/05/68/95/573056895.db2.gz	HBOPYHKDAYPWPS-LBPRGKRZSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[N@@H+](CC)C1CC1	308488044	573059419	/nfs/dbraw/zinc/05/94/19/573059419.db2.gz	PXIKFMZOOJOIQV-MNOVXSKESA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[N@@H+](CC)C1CC1	308488046	573060606	/nfs/dbraw/zinc/06/06/06/573060606.db2.gz	PXIKFMZOOJOIQV-WDEREUQCSA-N	1	0	181.323	3.071	10	30		AGEERO
C=C(C)C[NH2+]C(C1CCC1)C1CCC1	308492587	573063812	/nfs/dbraw/zinc/06/38/12/573063812.db2.gz	RMKJPSPMKCKYMS-UHFFFAOYSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]([NH2+]C)c1cccc(CC)c1	128539970	573064267	/nfs/dbraw/zinc/06/42/67/573064267.db2.gz	YKMANRVKBQZRNU-ZDUSSCGKSA-N	1	0	189.302	3.086	10	30		AGEERO
C=CC[C@@H]([NH2+]C)C(C)(C)C(C)(C)C	308227976	573064474	/nfs/dbraw/zinc/06/44/74/573064474.db2.gz	NREJWCQNRRLBGE-SNVBAGLBSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C[C@@H](C)[N@@H+](CC)C1CCCCC1	308494716	573066226	/nfs/dbraw/zinc/06/62/26/573066226.db2.gz	STGPCRCJEQJGQY-LLVKDONJSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCCC1(C[NH2+]CCC)CC1	317633194	573067674	/nfs/dbraw/zinc/06/76/74/573067674.db2.gz	VQLDIDXOUJXWSF-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=CCCCC[NH2+][C@H]1CC[C@H]1C(C)C	308494055	573067626	/nfs/dbraw/zinc/06/76/26/573067626.db2.gz	COTPCODEEBYASN-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[NH2+][C@@H]1CC[C@H]1C(C)C	308494051	573068277	/nfs/dbraw/zinc/06/82/77/573068277.db2.gz	COTPCODEEBYASN-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H](C)[N@@H+](CC)C1CCCCC1	308494720	573068974	/nfs/dbraw/zinc/06/89/74/573068974.db2.gz	STGPCRCJEQJGQY-NSHDSACASA-N	1	0	181.323	3.216	10	30		AGEERO
C=CC[N@@H+](CC)[C@@H](C)c1cccs1	308247234	573072706	/nfs/dbraw/zinc/07/27/06/573072706.db2.gz	XGPXOEFFBPZEFB-JTQLQIEISA-N	1	0	195.331	3.317	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1ccc(F)cc1C	88124142	573073119	/nfs/dbraw/zinc/07/31/19/573073119.db2.gz	BHIGBEOKFPNUNW-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
CCCCCCC[C@H]([NH3+])C1CCC1	114344576	573073395	/nfs/dbraw/zinc/07/33/95/573073395.db2.gz	VADVWTGMEZBDRY-LBPRGKRZSA-N	1	0	183.339	3.474	10	30		AGEERO
C=CC[N@@H+](CC)[C@H](C)c1cccs1	308247235	573074132	/nfs/dbraw/zinc/07/41/32/573074132.db2.gz	XGPXOEFFBPZEFB-SNVBAGLBSA-N	1	0	195.331	3.317	10	30		AGEERO
C=CCC[C@H]([NH3+])C(C)(C)C(C)(C)C	308247190	573075445	/nfs/dbraw/zinc/07/54/45/573075445.db2.gz	XFDOVIKNEGGBEC-JTQLQIEISA-N	1	0	183.339	3.352	10	30		AGEERO
C=CCC[C@@H]([NH3+])C(C)(C)C(C)(C)C	308247191	573076220	/nfs/dbraw/zinc/07/62/20/573076220.db2.gz	XFDOVIKNEGGBEC-SNVBAGLBSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[NH2+]C(C)(C)CC	308250716	573077177	/nfs/dbraw/zinc/07/71/77/573077177.db2.gz	AYWQTDXJALDBCA-MNOVXSKESA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]C(C)(C)CC	308250718	573079039	/nfs/dbraw/zinc/07/90/39/573079039.db2.gz	AYWQTDXJALDBCA-WDEREUQCSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+]CCC(=C)C	308498172	573082600	/nfs/dbraw/zinc/08/26/00/573082600.db2.gz	FCXGYHWWHNPFBL-OLZOCXBDSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[NH2+]C1(C)CCCCCC1	308252948	573083529	/nfs/dbraw/zinc/08/35/29/573083529.db2.gz	CFNHHOJAKBQZDH-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=C(CC)C[N@H+](C)[C@@H](C)CC(C)C	308203866	573084709	/nfs/dbraw/zinc/08/47/09/573084709.db2.gz	XFKKXAHIHRCEDS-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[C@H]1CCC[C@@H]1[NH2+]CCC(=C)C	308498174	573084290	/nfs/dbraw/zinc/08/42/90/573084290.db2.gz	FCXGYHWWHNPFBL-STQMWFEESA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+]CCC(=C)C	308498171	573085265	/nfs/dbraw/zinc/08/52/65/573085265.db2.gz	FCXGYHWWHNPFBL-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCCC[N@@H+](C)[C@@H](CC)C(C)C	308253369	573084523	/nfs/dbraw/zinc/08/45/23/573084523.db2.gz	CNCMYLPALPPFFA-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[N@@H+](CC)C1CCC(C)CC1	308497466	573085852	/nfs/dbraw/zinc/08/58/52/573085852.db2.gz	UQVWPWUKNPQQCB-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H]1CCC[C@H]1[NH2+]CCC(=C)C	308498173	573085926	/nfs/dbraw/zinc/08/59/26/573085926.db2.gz	FCXGYHWWHNPFBL-QWHCGFSZSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCCC[N@@H+](C)[C@H](CC)C(C)C	308253367	573085975	/nfs/dbraw/zinc/08/59/75/573085975.db2.gz	CNCMYLPALPPFFA-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CC[C@](C)(C(C)C)C1	308497233	573086263	/nfs/dbraw/zinc/08/62/63/573086263.db2.gz	DSHGNUFSDFUXBT-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CC[C@@](C)(C(C)C)C1	308497234	573086833	/nfs/dbraw/zinc/08/68/33/573086833.db2.gz	DSHGNUFSDFUXBT-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CC[C@@](C)(C(C)C)C1	308497232	573087617	/nfs/dbraw/zinc/08/76/17/573087617.db2.gz	DSHGNUFSDFUXBT-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
CCCC[N@H+](CCCC#N)[C@@H](C)CC	49800964	573088723	/nfs/dbraw/zinc/08/87/23/573088723.db2.gz	DLGAGLUAIPXSTD-LBPRGKRZSA-N	1	0	196.338	3.191	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@@H](C)C1CCCC1	308258863	573088763	/nfs/dbraw/zinc/08/87/63/573088763.db2.gz	MJTPORXRDCQTHA-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+]CCC1CC1	308500255	573089735	/nfs/dbraw/zinc/08/97/35/573089735.db2.gz	GEBLHNCTCXKFFB-OLZOCXBDSA-N	1	0	193.334	3.121	10	30		AGEERO
CCCC[N@H+](CCCC#N)[C@H](C)CC	49800965	573089347	/nfs/dbraw/zinc/08/93/47/573089347.db2.gz	DLGAGLUAIPXSTD-GFCCVEGCSA-N	1	0	196.338	3.191	10	30		AGEERO
C=CC[C@@H]([NH2+]CCC)C(CC)CC	128678312	573089658	/nfs/dbraw/zinc/08/96/58/573089658.db2.gz	SEOIDFBCUZNDTE-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
CCCCNC(C)=CC=[NH+]CCCC	308259975	573090803	/nfs/dbraw/zinc/09/08/03/573090803.db2.gz	HXHRSBBUOBPVSW-SYUORULGSA-N	1	0	196.338	3.151	10	30		AGEERO
CCCCC[N@H+](CCC#N)CC(C)C	49800720	573090834	/nfs/dbraw/zinc/09/08/34/573090834.db2.gz	BLSPZBZZXKCIDG-UHFFFAOYSA-N	1	0	196.338	3.048	10	30		AGEERO
C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)C=C	308259224	573092126	/nfs/dbraw/zinc/09/21/26/573092126.db2.gz	MMTLUUHKVHMURW-RYUDHWBXSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+]CCC1CC1	308500254	573092887	/nfs/dbraw/zinc/09/28/87/573092887.db2.gz	GEBLHNCTCXKFFB-CHWSQXEVSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)C=C	308259222	573093251	/nfs/dbraw/zinc/09/32/51/573093251.db2.gz	MMTLUUHKVHMURW-NWDGAFQWSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CCC[C@H](C)[N@@H+](C)C[C@H](C)C=C	308259221	573093317	/nfs/dbraw/zinc/09/33/17/573093317.db2.gz	MMTLUUHKVHMURW-NEPJUHHUSA-N	1	0	181.323	3.095	10	30		AGEERO
C#C/C=C\[NH2+]CCCCCCCCC	308259618	573093395	/nfs/dbraw/zinc/09/33/95/573093395.db2.gz	ZVOUYBRLXCRJKT-SDQBBNPISA-N	1	0	193.334	3.474	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[N@@H+]1CCC1(C)C	308280788	573094646	/nfs/dbraw/zinc/09/46/46/573094646.db2.gz	WWMHXLYSCLEBHC-MNOVXSKESA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[C@H]1CCC[C@H]1[NH2+]CCC1CC1	308500256	573094908	/nfs/dbraw/zinc/09/49/08/573094908.db2.gz	GEBLHNCTCXKFFB-QWHCGFSZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[C@H](C)[NH2+]C1CCCC1	308256258	573096240	/nfs/dbraw/zinc/09/62/40/573096240.db2.gz	KSIJNFPATWXHJJ-NSHDSACASA-N	1	0	181.323	3.263	10	30		AGEERO
CCCCCCCC(=O)[C@H]([NH3+])CCC	157926626	573096665	/nfs/dbraw/zinc/09/66/65/573096665.db2.gz	KQKOQZPOFLQEID-LLVKDONJSA-N	1	0	199.338	3.043	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)c1coc(C)c1	128767543	573096775	/nfs/dbraw/zinc/09/67/75/573096775.db2.gz	SPYZTFQLTSGMHV-LBPRGKRZSA-N	1	0	193.290	3.205	10	30		AGEERO
CCCCCCCC(=O)[C@@H]([NH3+])CCC	157926777	573096889	/nfs/dbraw/zinc/09/68/89/573096889.db2.gz	KQKOQZPOFLQEID-NSHDSACASA-N	1	0	199.338	3.043	10	30		AGEERO
C=CCCC[C@@H](C)[NH2+]C1CCCC1	308256257	573097156	/nfs/dbraw/zinc/09/71/56/573097156.db2.gz	KSIJNFPATWXHJJ-LLVKDONJSA-N	1	0	181.323	3.263	10	30		AGEERO
C=C(C)C(C)(C)[C@@H]1[NH2+][C@H](CC)CS1	238278143	573100139	/nfs/dbraw/zinc/10/01/39/573100139.db2.gz	CWZGCFVXBDUXDW-NXEZZACHSA-N	1	0	199.363	3.030	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])C(C1CC1)C1CC1	308495684	573101892	/nfs/dbraw/zinc/10/18/92/573101892.db2.gz	STMWOKVMWRJJGU-GFCCVEGCSA-N	1	0	193.334	3.106	10	30		AGEERO
CC[C@H](C)NC(C)=CC=[NH+][C@H](C)CC	308256436	573102446	/nfs/dbraw/zinc/10/24/46/573102446.db2.gz	MDIZBEZTRQCORT-FVMCGSODSA-N	1	0	196.338	3.148	10	30		AGEERO
C=C(C)C(C)(C)[C@H]1[NH2+][C@H](CC)CS1	238278076	573103590	/nfs/dbraw/zinc/10/35/90/573103590.db2.gz	CWZGCFVXBDUXDW-ZJUUUORDSA-N	1	0	199.363	3.030	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C(C1CC1)C1CC1	308495685	573103863	/nfs/dbraw/zinc/10/38/63/573103863.db2.gz	STMWOKVMWRJJGU-LBPRGKRZSA-N	1	0	193.334	3.106	10	30		AGEERO
CC[C@H](C)NC(C)=CC=[NH+][C@@H](C)CC	308256440	573104472	/nfs/dbraw/zinc/10/44/72/573104472.db2.gz	MDIZBEZTRQCORT-UDRGOLKPSA-N	1	0	196.338	3.148	10	30		AGEERO
C=CC[NH2+][C@@H](/C=C\C)c1ccccc1	308258127	573105360	/nfs/dbraw/zinc/10/53/60/573105360.db2.gz	SNMCAJQGQGMXAV-SYAFZNNESA-N	1	0	187.286	3.079	10	30		AGEERO
CC[C@H](C)NC(C)=CC=[NH+][C@H](C)CC	308256438	573105480	/nfs/dbraw/zinc/10/54/80/573105480.db2.gz	MDIZBEZTRQCORT-LQFIWXHQSA-N	1	0	196.338	3.148	10	30		AGEERO
C=CC[NH2+][C@H](C)CCC1CCCC1	308261522	573114180	/nfs/dbraw/zinc/11/41/80/573114180.db2.gz	NPBHIWQXUBKNIH-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H](CC1=CCCCC1)[NH2+]C	128741530	573114865	/nfs/dbraw/zinc/11/48/65/573114865.db2.gz	OPQKWPHHIZQMNU-GFCCVEGCSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CC[NH2+][C@@H](C)CCC1CCCC1	308261523	573114735	/nfs/dbraw/zinc/11/47/35/573114735.db2.gz	NPBHIWQXUBKNIH-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
CC#CCC[C@H]([NH3+])CC1=CCCCC1	128737036	573116801	/nfs/dbraw/zinc/11/68/01/573116801.db2.gz	DANZFHWOYOKTAE-ZDUSSCGKSA-N	1	0	191.318	3.008	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1cc(C)oc1C	128842410	573120329	/nfs/dbraw/zinc/12/03/29/573120329.db2.gz	HJAHAPVLQVCYMO-GFCCVEGCSA-N	1	0	193.290	3.253	10	30		AGEERO
C=CCCC[C@@H]([NH3+])C1C(C)(C)C1(C)C	128847466	573120685	/nfs/dbraw/zinc/12/06/85/573120685.db2.gz	XSYSCDYJBYYMKM-SNVBAGLBSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CCCC[C@H]([NH3+])C1C(C)(C)C1(C)C	128847659	573120743	/nfs/dbraw/zinc/12/07/43/573120743.db2.gz	XSYSCDYJBYYMKM-JTQLQIEISA-N	1	0	195.350	3.352	10	30		AGEERO
C=C(C)[C@H](CC1=CCCCC1)[NH2+]C	128745559	573120989	/nfs/dbraw/zinc/12/09/89/573120989.db2.gz	ZHGLVSQCACWMII-LBPRGKRZSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)[C@H](C)CCC	128749377	573121176	/nfs/dbraw/zinc/12/11/76/573121176.db2.gz	VKTRHAREERBFRW-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
CCC[C@H](C)[N@H+](CCC#N)CC(C)C	233333663	573122033	/nfs/dbraw/zinc/12/20/33/573122033.db2.gz	IVLIGHYFGGBSEY-LBPRGKRZSA-N	1	0	196.338	3.047	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)[C@@H](C)CCC	128749588	573122653	/nfs/dbraw/zinc/12/26/53/573122653.db2.gz	VKTRHAREERBFRW-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)[C@@H](C)CCC	128749171	573122787	/nfs/dbraw/zinc/12/27/87/573122787.db2.gz	VKTRHAREERBFRW-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH3+])C1(C)CCCC1	128753961	573124181	/nfs/dbraw/zinc/12/41/81/573124181.db2.gz	YGFYXTMKOYVGQG-LLVKDONJSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@@]1(C(C)C)CCC[NH2+]1	85701898	573123404	/nfs/dbraw/zinc/12/34/04/573123404.db2.gz	GDEOLUQVFJALNR-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@@]1(C(C)C)CCC[NH2+]1	85701784	573123999	/nfs/dbraw/zinc/12/39/99/573123999.db2.gz	BHYQIEPQAUNXOC-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[C@H]([NH3+])C1(C)CCCC1	128754138	573124064	/nfs/dbraw/zinc/12/40/64/573124064.db2.gz	YGFYXTMKOYVGQG-NSHDSACASA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@@H]([NH3+])CC1CCCC1	128857293	573125708	/nfs/dbraw/zinc/12/57/08/573125708.db2.gz	GYSAENNXHDARJC-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1sccc1C	128856386	573125989	/nfs/dbraw/zinc/12/59/89/573125989.db2.gz	HMHMNLJNOBNPSV-JTQLQIEISA-N	1	0	195.331	3.413	10	30		AGEERO
C=CC[NH2+][C@@H](CC(C)C)C(C)(C)C	308277150	573126302	/nfs/dbraw/zinc/12/63/02/573126302.db2.gz	VNNWPKZSFKXFHW-NSHDSACASA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCC[C@@H]([NH3+])C[C@H](C)CC	128854346	573126396	/nfs/dbraw/zinc/12/63/96/573126396.db2.gz	HCHDJRXMWDNOHB-GHMZBOCLSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[C@H]([NH3+])C[C@H](C)CC	128854828	573126408	/nfs/dbraw/zinc/12/64/08/573126408.db2.gz	HCHDJRXMWDNOHB-MNOVXSKESA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[C@H]([NH3+])C(C)(C)CC	128862914	573127010	/nfs/dbraw/zinc/12/70/10/573127010.db2.gz	LIRANKUOLRQHOY-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[C@@H]([NH3+])C(C)(C)CC	128862721	573127980	/nfs/dbraw/zinc/12/79/80/573127980.db2.gz	LIRANKUOLRQHOY-SNVBAGLBSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C[C@@H]1CCC[C@]2(CC)CCC[NH2+][C@@H]12	238282704	573128107	/nfs/dbraw/zinc/12/81/07/573128107.db2.gz	INBWJZDADJDRCV-FRRDWIJNSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)C(CC)CC	128856830	573129570	/nfs/dbraw/zinc/12/95/70/573129570.db2.gz	JNUMMESRLVNZQZ-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
CCCC/N=C(/C)[C@H](C)[NH2+]CCCC	308272289	573131182	/nfs/dbraw/zinc/13/11/82/573131182.db2.gz	CVSCOMYRZJKKSK-CDZMIXDFSA-N	1	0	198.354	3.026	10	30		AGEERO
C=CCCC[C@@H]([NH3+])C[C@@H](C)CC	128854573	573129960	/nfs/dbraw/zinc/12/99/60/573129960.db2.gz	HCHDJRXMWDNOHB-WDEREUQCSA-N	1	0	169.312	3.106	10	30		AGEERO
CCCC/N=C(/C)[C@@H](C)[NH2+]CCCC	308272290	573130867	/nfs/dbraw/zinc/13/08/67/573130867.db2.gz	CVSCOMYRZJKKSK-QTQPHVRFSA-N	1	0	198.354	3.026	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1sccc1C	128856145	573131049	/nfs/dbraw/zinc/13/10/49/573131049.db2.gz	HMHMNLJNOBNPSV-SNVBAGLBSA-N	1	0	195.331	3.413	10	30		AGEERO
C=CC[NH2+][C@H](CC(C)C)C(C)(C)C	308277141	573131118	/nfs/dbraw/zinc/13/11/18/573131118.db2.gz	VNNWPKZSFKXFHW-LLVKDONJSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCC[C@H]([NH3+])CC1CCCC1	128857073	573131522	/nfs/dbraw/zinc/13/15/22/573131522.db2.gz	GYSAENNXHDARJC-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)C(CC)CC	128856623	573131991	/nfs/dbraw/zinc/13/19/91/573131991.db2.gz	JNUMMESRLVNZQZ-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)[C@@H](C)C(C)C	128809417	573133025	/nfs/dbraw/zinc/13/30/25/573133025.db2.gz	ZZMXWVSEFRSBPO-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)C(C)(C)CC	128781996	573134239	/nfs/dbraw/zinc/13/42/39/573134239.db2.gz	QASKTUXTFNJDMI-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)[C@H](C)C(C)C	128808688	573134398	/nfs/dbraw/zinc/13/43/98/573134398.db2.gz	ZZMXWVSEFRSBPO-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCC[C@H]([NH2+]CC)[C@@H](C)C1CC1	128805440	573134527	/nfs/dbraw/zinc/13/45/27/573134527.db2.gz	UUTQBKBMLSQWLU-AAEUAGOBSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]([NH2+]CC)[C@H](C)C1CC1	128805892	573135498	/nfs/dbraw/zinc/13/54/98/573135498.db2.gz	UUTQBKBMLSQWLU-YPMHNXCESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@@H](C[C@H](C)CC)[NH2+]C	128815330	573135624	/nfs/dbraw/zinc/13/56/24/573135624.db2.gz	BXOHDNORUACQOU-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)[C@@H](C)C(C)C	128808898	573135723	/nfs/dbraw/zinc/13/57/23/573135723.db2.gz	ZZMXWVSEFRSBPO-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C/C(CC(C)C)=N/[C@@H](C)CC(C)(C)[NH3+]	308278887	573136227	/nfs/dbraw/zinc/13/62/27/573136227.db2.gz	UOWGSMDZKRZDDW-HKLRHMNMSA-N	1	0	198.354	3.009	10	30		AGEERO
C/C(CC(C)C)=N/[C@H](C)CC(C)(C)[NH3+]	308278888	573136239	/nfs/dbraw/zinc/13/62/39/573136239.db2.gz	UOWGSMDZKRZDDW-UXEDPAHQSA-N	1	0	198.354	3.009	10	30		AGEERO
C=CCCC[C@H](C[C@H](C)CC)[NH2+]C	128814897	573136335	/nfs/dbraw/zinc/13/63/35/573136335.db2.gz	BXOHDNORUACQOU-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[C@@H]([NH2+]CC)[C@H](C)C1CC1	128806120	573136404	/nfs/dbraw/zinc/13/64/04/573136404.db2.gz	UUTQBKBMLSQWLU-DGCLKSJQSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@H]([NH2+]C)[C@H](C)C(C)C	128809147	573136915	/nfs/dbraw/zinc/13/69/15/573136915.db2.gz	ZZMXWVSEFRSBPO-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCC[N@H+](C1CC1)[C@H](C)CCC	308214465	573138314	/nfs/dbraw/zinc/13/83/14/573138314.db2.gz	IGNNLTKYFBVMBH-LLVKDONJSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCC(C)(C)[C@H]([NH3+])CCCC	238792975	573138498	/nfs/dbraw/zinc/13/84/98/573138498.db2.gz	GEMGQZQCEYGRLC-SNVBAGLBSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[C@@H]([NH2+]CC)[C@@H](C)C1CC1	128805691	573138682	/nfs/dbraw/zinc/13/86/82/573138682.db2.gz	UUTQBKBMLSQWLU-WCQYABFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[N@@H+]1CCC1(C)C	308280790	573138811	/nfs/dbraw/zinc/13/88/11/573138811.db2.gz	WWMHXLYSCLEBHC-QWRGUYRKSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CCCC[C@H]([NH3+])[C@H](C)CCC	128818426	573140157	/nfs/dbraw/zinc/14/01/57/573140157.db2.gz	VWOIIWQXVCBWHK-MNOVXSKESA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[C@@H]([NH3+])[C@@H](C)CCC	128818235	573140783	/nfs/dbraw/zinc/14/07/83/573140783.db2.gz	VWOIIWQXVCBWHK-WDEREUQCSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCC[C@H]([NH3+])[C@@H](CC)CCCC	128934921	573141582	/nfs/dbraw/zinc/14/15/82/573141582.db2.gz	LHYIYKZTPCADDB-RYUDHWBXSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@@H](C)CCCCC	308503189	573141871	/nfs/dbraw/zinc/14/18/71/573141871.db2.gz	XYAZFOIZMUJAKX-LBPRGKRZSA-N	1	0	183.339	3.463	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@H](C)CCCCC	308503185	573142215	/nfs/dbraw/zinc/14/22/15/573142215.db2.gz	XYAZFOIZMUJAKX-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCCC[C@@H]([NH3+])[C@H](C)CCC	128818024	573144228	/nfs/dbraw/zinc/14/42/28/573144228.db2.gz	VWOIIWQXVCBWHK-GHMZBOCLSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCC[C@@H]([NH3+])[C@@H](CC)CCCC	128934454	573144761	/nfs/dbraw/zinc/14/47/61/573144761.db2.gz	LHYIYKZTPCADDB-NWDGAFQWSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCC[C@H]([NH3+])[C@@H](C)CCC	128818665	573145425	/nfs/dbraw/zinc/14/54/25/573145425.db2.gz	VWOIIWQXVCBWHK-QWRGUYRKSA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCC[C@@H]([NH3+])[C@H](CC)CCCC	128934243	573145634	/nfs/dbraw/zinc/14/56/34/573145634.db2.gz	LHYIYKZTPCADDB-VXGBXAGGSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCC[C@H]([NH3+])C(CC)CC	128876446	573156272	/nfs/dbraw/zinc/15/62/72/573156272.db2.gz	ICPFYPVYDLYZHA-NSHDSACASA-N	1	0	169.312	3.106	10	30		AGEERO
C=CCCC[C@@H]([NH3+])C(CC)CC	128876202	573156692	/nfs/dbraw/zinc/15/66/92/573156692.db2.gz	ICPFYPVYDLYZHA-LLVKDONJSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1C1CC1	308511034	573160963	/nfs/dbraw/zinc/16/09/63/573160963.db2.gz	KZVOVFBTQFAVBZ-CHWSQXEVSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[C@H]([NH3+])c1ccc(C)s1	128897316	573162286	/nfs/dbraw/zinc/16/22/86/573162286.db2.gz	AHYXTWRAKSPOJF-JTQLQIEISA-N	1	0	195.331	3.413	10	30		AGEERO
C=CCC[C@H]([NH2+]C)c1ccc(C)s1	128985612	573162506	/nfs/dbraw/zinc/16/25/06/573162506.db2.gz	VLMHCNNQMUXPSR-JTQLQIEISA-N	1	0	195.331	3.283	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCCC[C@@H]1C1CC1	308511035	573162637	/nfs/dbraw/zinc/16/26/37/573162637.db2.gz	KZVOVFBTQFAVBZ-OLZOCXBDSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C[C@@H](C)[NH+](CCCC)CCCC	308285316	573163223	/nfs/dbraw/zinc/16/32/23/573163223.db2.gz	DBLCUAMAKWRQGA-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCCC[C@@H]([NH3+])c1ccc(C)s1	128897102	573163303	/nfs/dbraw/zinc/16/33/03/573163303.db2.gz	AHYXTWRAKSPOJF-SNVBAGLBSA-N	1	0	195.331	3.413	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1ccc(C)s1	128985396	573163399	/nfs/dbraw/zinc/16/33/99/573163399.db2.gz	VLMHCNNQMUXPSR-SNVBAGLBSA-N	1	0	195.331	3.283	10	30		AGEERO
C=CC[NH2+]C1CCC(C)(CC)CC1	308290140	573165668	/nfs/dbraw/zinc/16/56/68/573165668.db2.gz	GQMRYAMGFXMSNC-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCCC[C@H]1C1CC1	308511475	573165791	/nfs/dbraw/zinc/16/57/91/573165791.db2.gz	KZVOVFBTQFAVBZ-QWHCGFSZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC/C=C\CC[NH2+]C1CC1	211632199	573165816	/nfs/dbraw/zinc/16/58/16/573165816.db2.gz	PJECJICMXUFTRT-SREVYHEPSA-N	1	0	179.307	3.041	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCCC[C@H]1C1CC1	308511476	573166148	/nfs/dbraw/zinc/16/61/48/573166148.db2.gz	KZVOVFBTQFAVBZ-STQMWFEESA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1cc(C)oc1C	128993217	573167041	/nfs/dbraw/zinc/16/70/41/573167041.db2.gz	QXKVMBPDHPDDMM-GFCCVEGCSA-N	1	0	193.290	3.123	10	30		AGEERO
C=C(C)C[NH2+]CC(C)(C)C(C)(C)C	308289206	573167667	/nfs/dbraw/zinc/16/76/67/573167667.db2.gz	DEOYZYIEHZTLKW-UHFFFAOYSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC[NH+](CC=C)[C@@H](C)[C@@H](C)CC	308291735	573170291	/nfs/dbraw/zinc/17/02/91/573170291.db2.gz	HPCYWYHBCPRHGG-RYUDHWBXSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CC[NH+](CC=C)[C@H](C)[C@@H](C)CC	308291734	573170701	/nfs/dbraw/zinc/17/07/01/573170701.db2.gz	HPCYWYHBCPRHGG-NWDGAFQWSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CC[NH+](CC=C)[C@H](C)[C@H](C)CC	308291737	573170710	/nfs/dbraw/zinc/17/07/10/573170710.db2.gz	HPCYWYHBCPRHGG-VXGBXAGGSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CCCC[N@H+]1CC(C)(C)C1(C)C	308291649	573171276	/nfs/dbraw/zinc/17/12/76/573171276.db2.gz	HLNJGCJZIMZGHI-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[NH+](CC=C)[C@@H](C)[C@H](C)CC	308291733	573171296	/nfs/dbraw/zinc/17/12/96/573171296.db2.gz	HPCYWYHBCPRHGG-NEPJUHHUSA-N	1	0	181.323	3.095	10	30		AGEERO
C=CCC[C@H]([NH3+])c1sccc1CC	128973597	573171624	/nfs/dbraw/zinc/17/16/24/573171624.db2.gz	AILNJOWWPFGWMO-JTQLQIEISA-N	1	0	195.331	3.277	10	30		AGEERO
C=C(C)C[NH+]([C@H](C)CC)[C@H](C)CC	308291392	573172438	/nfs/dbraw/zinc/17/24/38/573172438.db2.gz	HHEWHNIBLKEGQT-VXGBXAGGSA-N	1	0	183.339	3.462	10	30		AGEERO
C=C(C)C[N@@H+]([C@@H](C)CC)[C@H](C)CC	308291391	573172780	/nfs/dbraw/zinc/17/27/80/573172780.db2.gz	HHEWHNIBLKEGQT-TXEJJXNPSA-N	1	0	183.339	3.462	10	30		AGEERO
C=C(C)C[NH+]([C@@H](C)CC)[C@@H](C)CC	308291390	573172948	/nfs/dbraw/zinc/17/29/48/573172948.db2.gz	HHEWHNIBLKEGQT-RYUDHWBXSA-N	1	0	183.339	3.462	10	30		AGEERO
C=C[C@@H](C)[NH2+]CC(C)(C)C(C)(C)C	308291397	573173342	/nfs/dbraw/zinc/17/33/42/573173342.db2.gz	IWGVUEQYYYEYAR-SNVBAGLBSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(C)CC[C@@]1(C[NH3+])CCC[C@@H](C)C1	308508164	573173961	/nfs/dbraw/zinc/17/39/61/573173961.db2.gz	ARUMUCJXTDNBSH-OLZOCXBDSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C(C)CC[C@]1(C[NH3+])CCC[C@@H](C)C1	308508163	573174145	/nfs/dbraw/zinc/17/41/45/573174145.db2.gz	ARUMUCJXTDNBSH-CHWSQXEVSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C(C)CC[C@]1(C[NH3+])CCC[C@H](C)C1	308508165	573174170	/nfs/dbraw/zinc/17/41/70/573174170.db2.gz	ARUMUCJXTDNBSH-QWHCGFSZSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C[C@H](C)[NH2+]CC(C)(C)C(C)(C)C	308291393	573174297	/nfs/dbraw/zinc/17/42/97/573174297.db2.gz	IWGVUEQYYYEYAR-JTQLQIEISA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCC[C@H]([NH3+])c1c(C)oc(C)c1C	128998769	573174542	/nfs/dbraw/zinc/17/45/42/573174542.db2.gz	ACWNFOHLOQAFPK-NSHDSACASA-N	1	0	193.290	3.171	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1c(C)oc(C)c1C	128998553	573174758	/nfs/dbraw/zinc/17/47/58/573174758.db2.gz	ACWNFOHLOQAFPK-LLVKDONJSA-N	1	0	193.290	3.171	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1sccc1CC	128973379	573175107	/nfs/dbraw/zinc/17/51/07/573175107.db2.gz	AILNJOWWPFGWMO-SNVBAGLBSA-N	1	0	195.331	3.277	10	30		AGEERO
C=CCC[C@@H]([NH3+])CC1CCCCC1	128962896	573175709	/nfs/dbraw/zinc/17/57/09/573175709.db2.gz	GKCWLIKGZNPDHL-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@H](C[C@H](C)CC)[NH2+]CC	129013181	573177605	/nfs/dbraw/zinc/17/76/05/573177605.db2.gz	KBRNIUGSYSXFKI-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1cccc(C)c1F	128980002	573179795	/nfs/dbraw/zinc/17/97/95/573179795.db2.gz	XZQHXGDMPBIBEU-LLVKDONJSA-N	1	0	193.265	3.100	10	30		AGEERO
C=CCC[C@@H](C[C@H](C)CC)[NH2+]CC	129013551	573180140	/nfs/dbraw/zinc/18/01/40/573180140.db2.gz	KBRNIUGSYSXFKI-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H](C[C@@H](C)CC)[NH2+]CC	129013369	573180775	/nfs/dbraw/zinc/18/07/75/573180775.db2.gz	KBRNIUGSYSXFKI-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH3+])c1cccc(C)c1F	128980229	573181385	/nfs/dbraw/zinc/18/13/85/573181385.db2.gz	XZQHXGDMPBIBEU-NSHDSACASA-N	1	0	193.265	3.100	10	30		AGEERO
C=CCC[NH2+]CC(C)(C)C(C)(C)C	308294254	573185304	/nfs/dbraw/zinc/18/53/04/573185304.db2.gz	REXAGWXSKDFBNU-UHFFFAOYSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]C(C)(C)CF	308232060	573187158	/nfs/dbraw/zinc/18/71/58/573187158.db2.gz	PENFXMFYDSHBOW-SNVBAGLBSA-N	1	0	187.302	3.069	10	30		AGEERO
C=CCCC[C@@]1(C[NH3+])CCC[C@H](C)C1	308513995	573188370	/nfs/dbraw/zinc/18/83/70/573188370.db2.gz	DJOMHZMZUZELQB-QWHCGFSZSA-N	1	0	195.350	3.498	10	30		AGEERO
C=CCC1(C[NH3+])CCC(C(C)C)CC1	308514462	573188833	/nfs/dbraw/zinc/18/88/33/573188833.db2.gz	DPKJSEWCNSCDGC-UHFFFAOYSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CCCC[C@]1(C[NH3+])CCC[C@H](C)C1	308513997	573190392	/nfs/dbraw/zinc/19/03/92/573190392.db2.gz	DJOMHZMZUZELQB-STQMWFEESA-N	1	0	195.350	3.498	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C1C(C)(C)C1(C)C	132025886	573190305	/nfs/dbraw/zinc/19/03/05/573190305.db2.gz	STORXWGOPHLIKA-JTQLQIEISA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[C@]1(C[NH3+])CCC[C@@H](C)C1	308513994	573190433	/nfs/dbraw/zinc/19/04/33/573190433.db2.gz	DJOMHZMZUZELQB-OLZOCXBDSA-N	1	0	195.350	3.498	10	30		AGEERO
C=CCCC[C@@]1(C[NH3+])CCC[C@@H](C)C1	308513992	573190660	/nfs/dbraw/zinc/19/06/60/573190660.db2.gz	DJOMHZMZUZELQB-CHWSQXEVSA-N	1	0	195.350	3.498	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]C1C(C)(C)C1(C)C	132026110	573192273	/nfs/dbraw/zinc/19/22/73/573192273.db2.gz	STORXWGOPHLIKA-SNVBAGLBSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]CC/C=C\C	308306706	573197574	/nfs/dbraw/zinc/19/75/74/573197574.db2.gz	OUYZIDKWLDGKEV-RAUBUVQISA-N	1	0	181.323	3.143	10	30		AGEERO
C=CCC[C@H]([NH3+])C[C@@H](C)C(C)(C)C	129030064	573202273	/nfs/dbraw/zinc/20/22/73/573202273.db2.gz	SHPIQLKIWOXVQO-MNOVXSKESA-N	1	0	183.339	3.352	10	30		AGEERO
C=CCC[C@@H]([NH3+])C[C@@H](C)C(C)(C)C	129029625	573203960	/nfs/dbraw/zinc/20/39/60/573203960.db2.gz	SHPIQLKIWOXVQO-GHMZBOCLSA-N	1	0	183.339	3.352	10	30		AGEERO
C#C[C@@H](CCCCCCCC)[NH2+]CC	130298416	573206669	/nfs/dbraw/zinc/20/66/69/573206669.db2.gz	ONCYKLWMHLCTFD-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CCC[C@@H]([NH3+])CCC1CCCC1	129085683	573207297	/nfs/dbraw/zinc/20/72/97/573207297.db2.gz	LJPRXAAYPOOAIN-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC[C@@H]([NH3+])CCCCCC	129047367	573209797	/nfs/dbraw/zinc/20/97/97/573209797.db2.gz	VPUVBNZEJPOUMA-LLVKDONJSA-N	1	0	169.312	3.250	10	30		AGEERO
C=C[C@H](C)ON[C@H](C)CC1CCCC1	689840106	573210271	/nfs/dbraw/zinc/21/02/71/573210271.db2.gz	TYSIGGYMQPTVSR-MNOVXSKESA-N	1	0	197.322	3.051	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)C1C(C)(C)C1(C)C	129058991	573213703	/nfs/dbraw/zinc/21/37/03/573213703.db2.gz	QUZKEWHKJJZAQC-SNVBAGLBSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C[C@@H]1CCC[C@@]2(CC)CCC[NH2+][C@@H]12	238313722	573213705	/nfs/dbraw/zinc/21/37/05/573213705.db2.gz	INBWJZDADJDRCV-AGIUHOORSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC[C@H]([NH2+]C)C1C(C)(C)C1(C)C	129059236	573214039	/nfs/dbraw/zinc/21/40/39/573214039.db2.gz	QUZKEWHKJJZAQC-JTQLQIEISA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC)c1coc(C)c1	129065470	573216403	/nfs/dbraw/zinc/21/64/03/573216403.db2.gz	WFGQSIIJQKPPAR-GFCCVEGCSA-N	1	0	193.290	3.205	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)C1(C)CCCC1	129136645	573218697	/nfs/dbraw/zinc/21/86/97/573218697.db2.gz	PBYUJLDFAARMDD-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H](CC1CCCC1)[NH2+]C	129126860	573219712	/nfs/dbraw/zinc/21/97/12/573219712.db2.gz	PZZWRNXIEVSZMC-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]CC)[C@@H]1C[C@@H]1CC	715706743	573220087	/nfs/dbraw/zinc/22/00/87/573220087.db2.gz	TYYNKCMRWQTFQJ-RVMXOQNASA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC[C@H](CC1CCCC1)[NH2+]C	129127088	573221439	/nfs/dbraw/zinc/22/14/39/573221439.db2.gz	PZZWRNXIEVSZMC-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H]([NH3+])c1cc(C)c(C)s1	129094215	573221479	/nfs/dbraw/zinc/22/14/79/573221479.db2.gz	PPRCMFMMCSTGIE-JTQLQIEISA-N	1	0	195.331	3.331	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1sccc1C	129096709	573223859	/nfs/dbraw/zinc/22/38/59/573223859.db2.gz	YJTICLLRTPLBKZ-SNVBAGLBSA-N	1	0	195.331	3.283	10	30		AGEERO
C#CC(C)(C)[NH2+]C[C@H](CC)CCCC	69681338	573223385	/nfs/dbraw/zinc/22/33/85/573223385.db2.gz	WANLCUODWKTSFY-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1[C@H]2CCCC[C@H]21	308520619	573226545	/nfs/dbraw/zinc/22/65/45/573226545.db2.gz	OPZFOVRAYOQYPX-WUHRBBMRSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC)[C@H](C)CCC	129102804	573227447	/nfs/dbraw/zinc/22/74/47/573227447.db2.gz	VVSHZTIGLATJEM-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
CC(C)[NH+]=C1[C@@H](C)CCC[C@H]1C	104839494	573228417	/nfs/dbraw/zinc/22/84/17/573228417.db2.gz	KLXSJQLKJZIXNA-AOOOYVTPSA-N	1	0	167.296	3.292	10	30		AGEERO
C=CC[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1	308524238	573232664	/nfs/dbraw/zinc/23/26/64/573232664.db2.gz	QHPZDKWLLRGLMY-XQQFMLRXSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1	308524240	573233566	/nfs/dbraw/zinc/23/35/66/573233566.db2.gz	QHPZDKWLLRGLMY-YNEHKIRRSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+][C@@H](C)C=C	308323292	573238106	/nfs/dbraw/zinc/23/81/06/573238106.db2.gz	CWSYFGAGLWJATH-RYUDHWBXSA-N	1	0	181.323	3.285	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])[C@@H]1CCCC12CC2	715720854	573238197	/nfs/dbraw/zinc/23/81/97/573238197.db2.gz	NKBHVERYALONBU-SRVKXCTJSA-N	1	0	193.334	3.106	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)[C@H](C)C(C)C	129144778	573238349	/nfs/dbraw/zinc/23/83/49/573238349.db2.gz	ZKHFCPZLJZJCGZ-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCC[C@H]([NH2+]CCC)[C@@H](C)C1CC1	129138009	573240360	/nfs/dbraw/zinc/24/03/60/573240360.db2.gz	HIIAQGWHZAWSBN-AAEUAGOBSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]CC)[C@@H](C)C(C)C	129144325	573240177	/nfs/dbraw/zinc/24/01/77/573240177.db2.gz	ZKHFCPZLJZJCGZ-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]C)[C@@]1(C)CC1(C)C	715724329	573241886	/nfs/dbraw/zinc/24/18/86/573241886.db2.gz	VJHXVWWKKMJZNK-GMXVVIOVSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C(C)C[C@@H]1CCCC[C@H]([NH2+]C)C1	86063774	573242404	/nfs/dbraw/zinc/24/24/04/573242404.db2.gz	YGERMLKJPMXTNG-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+]1CCC[C@H](C)C1	308325990	573242506	/nfs/dbraw/zinc/24/25/06/573242506.db2.gz	FWQROAQSEQLSJP-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH2+]C)[C@@]1(C)CC1(C)C	715724327	573243965	/nfs/dbraw/zinc/24/39/65/573243965.db2.gz	VJHXVWWKKMJZNK-DMDPSCGWSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC[C@H](C)[N@@H+]1CCC[C@H](C)C1	308325991	573244810	/nfs/dbraw/zinc/24/48/10/573244810.db2.gz	FWQROAQSEQLSJP-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
CCCCCCCC[C@H]1CC[C@@H]1[NH3+]	132236904	573247882	/nfs/dbraw/zinc/24/78/82/573247882.db2.gz	DSIVOHUYVRNDAC-RYUDHWBXSA-N	1	0	183.339	3.474	10	30		AGEERO
C=CC[C@@H](CC)[NH2+]CC1CCCC1	308322954	573247937	/nfs/dbraw/zinc/24/79/37/573247937.db2.gz	ZUFFFWTYEZIBQR-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
CC#CCCCC[NH2+][C@H](C)CC(C)C	308523308	573247943	/nfs/dbraw/zinc/24/79/43/573247943.db2.gz	PVHFVHAHKRAIKM-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH3+])CC(C)(C)C1CC1	715733631	573248475	/nfs/dbraw/zinc/24/84/75/573248475.db2.gz	OUEYVZICCQJLQJ-PWSUYJOCSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@H](CC)[NH2+]CC1CCCC1	308322956	573248624	/nfs/dbraw/zinc/24/86/24/573248624.db2.gz	ZUFFFWTYEZIBQR-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](C)[N@H+](C)CCC1CC1	308322742	573248881	/nfs/dbraw/zinc/24/88/81/573248881.db2.gz	CMABVHAPCFGIEJ-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[C@@H](CC1(C)CC1)[NH2+]CC	715731791	573248955	/nfs/dbraw/zinc/24/89/55/573248955.db2.gz	IFTWVNMIFIDQFT-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCCC[C@H]1CC[C@H]1[NH3+]	132237301	573249082	/nfs/dbraw/zinc/24/90/82/573249082.db2.gz	DSIVOHUYVRNDAC-NWDGAFQWSA-N	1	0	183.339	3.474	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCC[C@@H]1CCCF	308524233	573250803	/nfs/dbraw/zinc/25/08/03/573250803.db2.gz	QHNWVVQYBFWPBP-VXGBXAGGSA-N	1	0	199.313	3.071	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCC[C@H]1CCCF	308524229	573250778	/nfs/dbraw/zinc/25/07/78/573250778.db2.gz	QHNWVVQYBFWPBP-NWDGAFQWSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC[N@@H+](CC/C=C\CC)C(C)C	308328252	573252620	/nfs/dbraw/zinc/25/26/20/573252620.db2.gz	HBQYPBOCSMFUKJ-FPLPWBNLSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH2+]C)C1CC(C)(C)C1	715735485	573253555	/nfs/dbraw/zinc/25/35/55/573253555.db2.gz	WNAMGJZNXBXKFX-PWSUYJOCSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@H](C)C1CCCCC1	308529512	573254358	/nfs/dbraw/zinc/25/43/58/573254358.db2.gz	ZBVTTWYQOJVKPL-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@@H](C)C1CCCCC1	308529510	573255126	/nfs/dbraw/zinc/25/51/26/573255126.db2.gz	ZBVTTWYQOJVKPL-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH2+]C)C1CC(C)(C)C1	715735488	573255178	/nfs/dbraw/zinc/25/51/78/573255178.db2.gz	WNAMGJZNXBXKFX-ZYHUDNBSSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[N@@H+](CC/C=C/CC)C(C)C	308328251	573256070	/nfs/dbraw/zinc/25/60/70/573256070.db2.gz	HBQYPBOCSMFUKJ-BQYQJAHWSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)C1(C)CC1	308332883	573260305	/nfs/dbraw/zinc/26/03/05/573260305.db2.gz	LTHWAJGCIFCKNU-MNOVXSKESA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H](C)C1(C)CC1	308332881	573261659	/nfs/dbraw/zinc/26/16/59/573261659.db2.gz	LTHWAJGCIFCKNU-GHMZBOCLSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@H](C)[N@@H+]1CCC(C)(C)C1	308332619	573262131	/nfs/dbraw/zinc/26/21/31/573262131.db2.gz	LROWZJZMIUZVQA-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[C@@]1(C[NH3+])CCC[C@H](C)C1	715751808	573266478	/nfs/dbraw/zinc/26/64/78/573266478.db2.gz	DZBXBHWWLCCRBX-AVGNSLFASA-N	1	0	195.350	3.354	10	30		AGEERO
C=CC[C@H](C)[C@]1(C[NH3+])CCC[C@H](C)C1	715751814	573267973	/nfs/dbraw/zinc/26/79/73/573267973.db2.gz	DZBXBHWWLCCRBX-RWMBFGLXSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CC[C@H](C)[C@]1(C[NH3+])CCC[C@@H](C)C1	715751810	573268114	/nfs/dbraw/zinc/26/81/14/573268114.db2.gz	DZBXBHWWLCCRBX-FRRDWIJNSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CC[C@H](C)[C@@]1(C[NH3+])CCC[C@@H](C)C1	715751803	573268141	/nfs/dbraw/zinc/26/81/41/573268141.db2.gz	DZBXBHWWLCCRBX-AGIUHOORSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CC[C@@H](C)C1([NH3+])CCC(C)(C)CC1	715753638	573272803	/nfs/dbraw/zinc/27/28/03/573272803.db2.gz	BGJOMLTXDXYQTC-LLVKDONJSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[C@H](C)[NH2+]C(C)C	715755561	573275007	/nfs/dbraw/zinc/27/50/07/573275007.db2.gz	YHGROHONWJRJNF-SRVKXCTJSA-N	1	0	183.339	3.221	10	30		AGEERO
CCC/[NH+]=C1/CCCC[C@H]1C	105790428	573278905	/nfs/dbraw/zinc/27/89/05/573278905.db2.gz	PKGGHKQZUGVWOT-ZAGORRGESA-N	1	0	153.269	3.048	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[C@@H](C)[NH2+]C(C)C	715755547	573278332	/nfs/dbraw/zinc/27/83/32/573278332.db2.gz	YHGROHONWJRJNF-SDDRHHMPSA-N	1	0	183.339	3.221	10	30		AGEERO
CCCCCCCCC1([NH3+])CC1	116397876	573280575	/nfs/dbraw/zinc/28/05/75/573280575.db2.gz	LQJVQUBDZDMNOF-UHFFFAOYSA-N	1	0	169.312	3.228	10	30		AGEERO
CCC/[NH+]=C1/CCCC[C@@H]1C	105790426	573282045	/nfs/dbraw/zinc/28/20/45/573282045.db2.gz	PKGGHKQZUGVWOT-BLUPIXKYSA-N	1	0	153.269	3.048	10	30		AGEERO
C=CC[C@H](C)[C@H](CCC)[NH2+]CCC	715755985	573282701	/nfs/dbraw/zinc/28/27/01/573282701.db2.gz	JUUMVJPGNRTDKC-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C#C[C@@H](CC)[NH2+]CC(C)(C)C(C)(C)C	308539988	573282710	/nfs/dbraw/zinc/28/27/10/573282710.db2.gz	IFMUQYVOXZGSQF-NSHDSACASA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC[C@@H](C)[C@@H](CCC)[NH2+]CCC	715755986	573282879	/nfs/dbraw/zinc/28/28/79/573282879.db2.gz	JUUMVJPGNRTDKC-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[NH2+][C@@H](C(C)C)C1CCCCC1	308545580	573305622	/nfs/dbraw/zinc/30/56/22/573305622.db2.gz	VRMAFUPNRFEBRI-ZDUSSCGKSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@H](C(C)C)C1CCCCC1	308545578	573306496	/nfs/dbraw/zinc/30/64/96/573306496.db2.gz	VRMAFUPNRFEBRI-CYBMUJFWSA-N	1	0	195.350	3.367	10	30		AGEERO
CC#CCCCC[NH2+]C1CCCCC1	308544814	573307543	/nfs/dbraw/zinc/30/75/43/573307543.db2.gz	VMMUOXPOISGARP-UHFFFAOYSA-N	1	0	193.334	3.102	10	30		AGEERO
C=C[C@H]([NH3+])c1cccc2cccc(C)c12	238457675	573309282	/nfs/dbraw/zinc/30/92/82/573309282.db2.gz	AKJXSMITAIVYAS-ZDUSSCGKSA-N	1	0	197.281	3.334	10	30		AGEERO
C=CCC[C@H]([NH2+]C(C)C)c1ccco1	308546467	573310691	/nfs/dbraw/zinc/31/06/91/573310691.db2.gz	VXKRRXJMZTZQFZ-NSHDSACASA-N	1	0	193.290	3.285	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[C@H](C)C[NH2+]CCC	715771503	573316676	/nfs/dbraw/zinc/31/66/76/573316676.db2.gz	GHSZHQQEMBYVEO-YNEHKIRRSA-N	1	0	197.366	3.470	10	30		AGEERO
C=CCC1(C[NH3+])CCC(CCC)CC1	308552246	573317796	/nfs/dbraw/zinc/31/77/96/573317796.db2.gz	QQXZXIQGCVJKQM-UHFFFAOYSA-N	1	0	195.350	3.498	10	30		AGEERO
CCCCCCC[NH2+]C1CC=CC1	132591513	573318103	/nfs/dbraw/zinc/31/81/03/573318103.db2.gz	OGTSVLBSOURUSS-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])[C@@H]1CCCC[C@@H]1C	715770978	573319694	/nfs/dbraw/zinc/31/96/94/573319694.db2.gz	FNHIFBAOHSWMOA-RVMXOQNASA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[C@H](C)C[NH2+]C(C)C	715770863	573320322	/nfs/dbraw/zinc/32/03/22/573320322.db2.gz	DUGGSFMTQFJMQL-YNEHKIRRSA-N	1	0	197.366	3.469	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[C@H](C)C[NH2+]C(C)C	715770862	573320605	/nfs/dbraw/zinc/32/06/05/573320605.db2.gz	DUGGSFMTQFJMQL-XQQFMLRXSA-N	1	0	197.366	3.469	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[C@@H](C)C[NH2+]C(C)C	715770860	573320624	/nfs/dbraw/zinc/32/06/24/573320624.db2.gz	DUGGSFMTQFJMQL-AVGNSLFASA-N	1	0	197.366	3.469	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])[C@H]1CCCC[C@@H]1C	715770974	573320770	/nfs/dbraw/zinc/32/07/70/573320770.db2.gz	FNHIFBAOHSWMOA-CYDGBPFRSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[C@@H](C)C[NH2+]C(C)C	715770861	573321528	/nfs/dbraw/zinc/32/15/28/573321528.db2.gz	DUGGSFMTQFJMQL-RWMBFGLXSA-N	1	0	197.366	3.469	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[C@H](C)C[NH2+]CCC	715771499	573321847	/nfs/dbraw/zinc/32/18/47/573321847.db2.gz	GHSZHQQEMBYVEO-XQQFMLRXSA-N	1	0	197.366	3.470	10	30		AGEERO
CC#CC[NH2+][C@H](CC(C)C)C(C)(C)C	308548767	573323355	/nfs/dbraw/zinc/32/33/55/573323355.db2.gz	WNJIDWOCIMBQJR-GFCCVEGCSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC[C@H]([NH3+])CC1CCC(C)(C)CC1	308552798	573323466	/nfs/dbraw/zinc/32/34/66/573323466.db2.gz	YHVQVISVFMVQIB-LBPRGKRZSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CC[C@H](C)[C@H](C)CC[NH2+]C(C)C	715772101	573327629	/nfs/dbraw/zinc/32/76/29/573327629.db2.gz	IBRFTEYHNCLQIL-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)/C=C\CC[NH2+]CC(C)C	715772624	573327587	/nfs/dbraw/zinc/32/75/87/573327587.db2.gz	WGPDFERDMAGCCL-XURPKSDJSA-N	1	0	195.350	3.391	10	30		AGEERO
C=CC[C@@H](C)C(C)(C)CC[NH2+]CC	715773157	573332584	/nfs/dbraw/zinc/33/25/84/573332584.db2.gz	KXFSDOJBADEODZ-LLVKDONJSA-N	1	0	183.339	3.224	10	30		AGEERO
CCCC/C(CC)=[NH+]\CCC	106965386	573335696	/nfs/dbraw/zinc/33/56/96/573335696.db2.gz	LAWNVWUDRGLNLE-KHPPLWFESA-N	1	0	155.285	3.438	10	30		AGEERO
C=CCC[C@@H](C)[N@H+](C)CC(C)(C)C	308349533	573336102	/nfs/dbraw/zinc/33/61/02/573336102.db2.gz	XQNXUWPOYOQOBU-LLVKDONJSA-N	1	0	183.339	3.319	10	30		AGEERO
C#CCC[NH2+][C@@H](CC(C)C)C(C)(C)C	308556005	573340157	/nfs/dbraw/zinc/34/01/57/573340157.db2.gz	ZIUGHXPTXCIABH-LBPRGKRZSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[C@H](C)C[NH2+]CC	715777077	573341077	/nfs/dbraw/zinc/34/10/77/573341077.db2.gz	ZDIODVHPEPKOAE-QJPTWQEYSA-N	1	0	183.339	3.080	10	30		AGEERO
C=CC[C@H](C)[C@@H]1CCCC[C@@H]1C[NH2+]C	715777111	573341306	/nfs/dbraw/zinc/34/13/06/573341306.db2.gz	ZDOXAYQRAUJAET-XQQFMLRXSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC[C@H](C)[C@H]1CCCC[C@H]1C[NH2+]C	715777103	573343097	/nfs/dbraw/zinc/34/30/97/573343097.db2.gz	ZDOXAYQRAUJAET-RWMBFGLXSA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])CC1CCCC1	715776420	573345182	/nfs/dbraw/zinc/34/51/82/573345182.db2.gz	WZCFXHVBYOQTGW-CMPLNLGQSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH3+])CC1CCCC1	715776424	573343206	/nfs/dbraw/zinc/34/32/06/573343206.db2.gz	WZCFXHVBYOQTGW-PWSUYJOCSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CC[C@H](C)[C@@H]1CCCC[C@H]1C[NH2+]C	715777082	573342866	/nfs/dbraw/zinc/34/28/66/573342866.db2.gz	ZDOXAYQRAUJAET-AVGNSLFASA-N	1	0	195.350	3.224	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[C@H](C)C[NH2+]CC	715777081	573342926	/nfs/dbraw/zinc/34/29/26/573342926.db2.gz	ZDIODVHPEPKOAE-TUAOUCFPSA-N	1	0	183.339	3.080	10	30		AGEERO
C=CC[C@H](C)[C@@H]1C[C@H](C)CC[C@@H]1C[NH3+]	715775434	573343135	/nfs/dbraw/zinc/34/31/35/573343135.db2.gz	SNGHGEDUKYJIMR-XQHKEYJVSA-N	1	0	195.350	3.210	10	30		AGEERO
C=CCCC[NH2+][C@H](CC)c1ccco1	308557214	573343895	/nfs/dbraw/zinc/34/38/95/573343895.db2.gz	TWYNAYWXCHEQED-LLVKDONJSA-N	1	0	193.290	3.287	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])c1ccc(C)s1	715776860	573345092	/nfs/dbraw/zinc/34/50/92/573345092.db2.gz	YXUYJMHYSOFUDI-GZMMTYOYSA-N	1	0	195.331	3.269	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+][C@H]1C[C@@H]1C	308358920	573345614	/nfs/dbraw/zinc/34/56/14/573345614.db2.gz	LKOZLDJIQCWDPX-SRVKXCTJSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])CC1CCCC1	715776423	573345841	/nfs/dbraw/zinc/34/58/41/573345841.db2.gz	WZCFXHVBYOQTGW-JQWIXIFHSA-N	1	0	181.323	3.106	10	30		AGEERO
C#CC[NH2+][C@@H](C)CCCCCCCC	78018692	573349057	/nfs/dbraw/zinc/34/90/57/573349057.db2.gz	UZYDJMMHVXJTCF-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
C#CCCC/C=C\CC[NH2+]C(C)(C)C	308359430	573349430	/nfs/dbraw/zinc/34/94/30/573349430.db2.gz	WYYLYRZGQQOCLR-KTKRTIGZSA-N	1	0	193.334	3.124	10	30		AGEERO
C=C(C)CC[NH2+]C(C)(C)C(C)(C)C	308304826	573349556	/nfs/dbraw/zinc/34/95/56/573349556.db2.gz	MZLAUVQAWBQMIE-UHFFFAOYSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CCC1(C[NH2+]C(C)C)CC1	317607031	573350137	/nfs/dbraw/zinc/35/01/37/573350137.db2.gz	LDZMOXULOZYXQO-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@H]1C	308358916	573350257	/nfs/dbraw/zinc/35/02/57/573350257.db2.gz	LKOZLDJIQCWDPX-GRYCIOLGSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCCC[N@@H+](C)[C@H](CC)C1CC1	308361543	573351469	/nfs/dbraw/zinc/35/14/69/573351469.db2.gz	MGFRRHGUELQUKW-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@@H+](C)[C@@H](CC)C1CC1	308361545	573353058	/nfs/dbraw/zinc/35/30/58/573353058.db2.gz	MGFRRHGUELQUKW-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[C@@]1(C[NH3+])CCC[C@@H](CC)C1	308560933	573355490	/nfs/dbraw/zinc/35/54/90/573355490.db2.gz	VZEZHYFBCGAQPH-OLZOCXBDSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C(C)C[C@@]1(C[NH3+])CCC[C@H](CC)C1	308560935	573355746	/nfs/dbraw/zinc/35/57/46/573355746.db2.gz	VZEZHYFBCGAQPH-STQMWFEESA-N	1	0	195.350	3.498	10	30		AGEERO
C=C(C)C[C@]1(C[NH3+])CCC[C@H](CC)C1	308560934	573358555	/nfs/dbraw/zinc/35/85/55/573358555.db2.gz	VZEZHYFBCGAQPH-QWHCGFSZSA-N	1	0	195.350	3.498	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]C)c1occc1C	715783459	573360749	/nfs/dbraw/zinc/36/07/49/573360749.db2.gz	BFLOGCMIWCNUDK-ONGXEEELSA-N	1	0	193.290	3.061	10	30		AGEERO
C=C[C@H](C)[C@@]1(C[NH3+])CCC[C@@H](CC)C1	308563343	573360684	/nfs/dbraw/zinc/36/06/84/573360684.db2.gz	XGEWFCLXKFGFQE-XQQFMLRXSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CCC/C=C(\C)C[C@H]1CCCC[NH2+]1	308367501	573365273	/nfs/dbraw/zinc/36/52/73/573365273.db2.gz	RBVFFPSGBZTHEV-YQCJOKCJSA-N	1	0	193.334	3.431	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H](C)c1occc1C	129638777	573375274	/nfs/dbraw/zinc/37/52/74/573375274.db2.gz	HUBVUXMXTHZLAZ-QWRGUYRKSA-N	1	0	193.290	3.203	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H](C)c1occc1C	129638561	573375900	/nfs/dbraw/zinc/37/59/00/573375900.db2.gz	HUBVUXMXTHZLAZ-WDEREUQCSA-N	1	0	193.290	3.203	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H](C)c1occc1C	129638948	573375932	/nfs/dbraw/zinc/37/59/32/573375932.db2.gz	HUBVUXMXTHZLAZ-GHMZBOCLSA-N	1	0	193.290	3.203	10	30		AGEERO
CC#CCC/C=C\CC[NH2+]C(C)(C)C	308376742	573376732	/nfs/dbraw/zinc/37/67/32/573376732.db2.gz	NHRTUZQYZMGLAF-KTKRTIGZSA-N	1	0	193.334	3.124	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@@H](C)c1occc1C	129639170	573376920	/nfs/dbraw/zinc/37/69/20/573376920.db2.gz	HUBVUXMXTHZLAZ-MNOVXSKESA-N	1	0	193.290	3.203	10	30		AGEERO
C=C[C@@H](C)[N@H+](CCCC)[C@@H](C)CC	308414773	573380392	/nfs/dbraw/zinc/38/03/92/573380392.db2.gz	MWJXGRPMYZKZEH-NEPJUHHUSA-N	1	0	183.339	3.462	10	30		AGEERO
C=C(/C=C(\C)C[C@H]1CCCC[NH2+]1)CC	308371224	573381400	/nfs/dbraw/zinc/38/14/00/573381400.db2.gz	ZSHUDGZJXYKCQD-CNELAYHGSA-N	1	0	193.334	3.431	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])c1ccccc1F	715787356	573384635	/nfs/dbraw/zinc/38/46/35/573384635.db2.gz	WDPKQKXKTLEVSD-CABZTGNLSA-N	1	0	193.265	3.038	10	30		AGEERO
C=CCC[C@H]([NH2+][C@@H]1C[C@H]1CC)C1CC1	308568332	573384825	/nfs/dbraw/zinc/38/48/25/573384825.db2.gz	BICCKRYTFIYNTD-KGYLQXTDSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])c1ccccc1F	715787358	573385004	/nfs/dbraw/zinc/38/50/04/573385004.db2.gz	WDPKQKXKTLEVSD-JOYOIKCWSA-N	1	0	193.265	3.038	10	30		AGEERO
CC(C)(C)/N=C/C(C)(C)[NH2+]C(C)(C)C	308372625	573386779	/nfs/dbraw/zinc/38/67/79/573386779.db2.gz	TXDYFENZMYXKBV-UKTHLTGXSA-N	1	0	198.354	3.022	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)c1cc(C)c(C)o1	308569158	573394465	/nfs/dbraw/zinc/39/44/65/573394465.db2.gz	JHLAYUHODVKDGQ-JTQLQIEISA-N	1	0	193.290	3.123	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+][C@@H](C)CC#N	308571110	573400973	/nfs/dbraw/zinc/40/09/73/573400973.db2.gz	BZELWOBABFGONQ-NWDGAFQWSA-N	1	0	194.322	3.013	10	30		AGEERO
CCC(CC)[NH2+][C@@H](CC#N)CC(C)C	308575241	573407360	/nfs/dbraw/zinc/40/73/60/573407360.db2.gz	DGWRFLYMJYHUHW-LBPRGKRZSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH3+])CC1=CCCCC1	715796396	573407683	/nfs/dbraw/zinc/40/76/83/573407683.db2.gz	PNUWTZXBBISNOY-YPMHNXCESA-N	1	0	193.334	3.416	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH2+]CCC)C1(C)CC1	715796959	573408438	/nfs/dbraw/zinc/40/84/38/573408438.db2.gz	RCNXNXRSLFZYRV-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[N@@H+](CCCC)[C@H](C)CC	308385562	573408803	/nfs/dbraw/zinc/40/88/03/573408803.db2.gz	WQFLARXPWUKHDG-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C=C[C@H](C)[N@@H+]1CCC[C@@H](CCC)C1	308385259	573409697	/nfs/dbraw/zinc/40/96/97/573409697.db2.gz	WMXQFYZTCKUTMD-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[N@@H+](CCCC)[C@@H](C)CC	308385563	573409755	/nfs/dbraw/zinc/40/97/55/573409755.db2.gz	WQFLARXPWUKHDG-LBPRGKRZSA-N	1	0	183.339	3.463	10	30		AGEERO
C=C(C)C/C=C(\C)C[C@@H]1CCCC[NH2+]1	308387075	573415755	/nfs/dbraw/zinc/41/57/55/573415755.db2.gz	MLWPNWBMRBDMAB-RPHSKFLZSA-N	1	0	193.334	3.431	10	30		AGEERO
C=CC[C@H](C)C1(C[NH2+]CC)CCCC1	715805346	573429543	/nfs/dbraw/zinc/42/95/43/573429543.db2.gz	BOJKEOOATZLGOO-LBPRGKRZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[C@H](C)[NH2+]Cc1ccccc1	238394405	573435850	/nfs/dbraw/zinc/43/58/50/573435850.db2.gz	LZQUIDZHZODADG-LBPRGKRZSA-N	1	0	189.302	3.131	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@H]1CCC[C@H](CC)C1	308581944	573438645	/nfs/dbraw/zinc/43/86/45/573438645.db2.gz	GTVYQVMPOMXFKH-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@H]([NH3+])C1(C)CC1	126231342	573438935	/nfs/dbraw/zinc/43/89/35/573438935.db2.gz	PWLCKUJTUFTJAU-NSHDSACASA-N	1	0	183.339	3.474	10	30		AGEERO
C=CC[NH2+][C@H](CCC)c1cccs1	50522193	573444733	/nfs/dbraw/zinc/44/47/33/573444733.db2.gz	IRBGACMSPHJGMX-SNVBAGLBSA-N	1	0	195.331	3.365	10	30		AGEERO
CC#CCC[NH2+][C@H](C)[C@@H](C)CCCC	308590870	573453237	/nfs/dbraw/zinc/45/32/37/573453237.db2.gz	KGVVNJHGMAHZTQ-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
CC#CCC[NH2+][C@@H](C)[C@@H](C)CCCC	308590871	573456379	/nfs/dbraw/zinc/45/63/79/573456379.db2.gz	KGVVNJHGMAHZTQ-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])[C@@H]1CCCC1(C)C	715814299	573461742	/nfs/dbraw/zinc/46/17/42/573461742.db2.gz	NVJWSPFLJYNWMA-SDDRHHMPSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])CCCCCC	715813964	573462025	/nfs/dbraw/zinc/46/20/25/573462025.db2.gz	PNEIDWMFVOMTNE-NWDGAFQWSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH3+])CCCCCC	715813966	573462092	/nfs/dbraw/zinc/46/20/92/573462092.db2.gz	PNEIDWMFVOMTNE-VXGBXAGGSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CC[C@@H](C)C[C@H](C)C[NH2+]C(C)C	715812249	573462346	/nfs/dbraw/zinc/46/23/46/573462346.db2.gz	KQLOJXWAQZKTCI-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])[C@H]1CCCC1(C)C	715814306	573462725	/nfs/dbraw/zinc/46/27/25/573462725.db2.gz	NVJWSPFLJYNWMA-TUAOUCFPSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH2+]C)[C@@H](C)CCC	715810232	573462901	/nfs/dbraw/zinc/46/29/01/573462901.db2.gz	BJXJCLNZDDZYHG-SDDRHHMPSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH3+])[C@H]1CCCC1(C)C	715814240	573463015	/nfs/dbraw/zinc/46/30/15/573463015.db2.gz	NVJWSPFLJYNWMA-QJPTWQEYSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH2+]C)[C@H](C)CCC	715810231	573463210	/nfs/dbraw/zinc/46/32/10/573463210.db2.gz	BJXJCLNZDDZYHG-QJPTWQEYSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]CC)[C@@H](C)C1CC1	715811794	573463350	/nfs/dbraw/zinc/46/33/50/573463350.db2.gz	DTJQDPMVTYAPHJ-GVXVVHGQSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[C@@H](C)C1=C[C@H]([NH3+])CCCC1	715810054	573463539	/nfs/dbraw/zinc/46/35/39/573463539.db2.gz	BHDDXFYOACZWMV-ZYHUDNBSSA-N	1	0	179.307	3.026	10	30		AGEERO
C=CC[C@@H](C)C[C@@H](C)C[NH2+]C(C)C	715812300	573464366	/nfs/dbraw/zinc/46/43/66/573464366.db2.gz	KQLOJXWAQZKTCI-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)C[C@@H](C)C[NH2+]C(C)C	715812262	573464414	/nfs/dbraw/zinc/46/44/14/573464414.db2.gz	KQLOJXWAQZKTCI-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)C[C@H](C)C[NH2+]C(C)C	715812276	573464466	/nfs/dbraw/zinc/46/44/66/573464466.db2.gz	KQLOJXWAQZKTCI-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]C)[C@H](C)CCC	715810236	573464803	/nfs/dbraw/zinc/46/48/03/573464803.db2.gz	BJXJCLNZDDZYHG-TUAOUCFPSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])[C@@H]1CCCC1(C)C	715814301	573465820	/nfs/dbraw/zinc/46/58/20/573465820.db2.gz	NVJWSPFLJYNWMA-SRVKXCTJSA-N	1	0	195.350	3.352	10	30		AGEERO
C#C[C@@H]([NH2+]CCC)[C@@H](CC)CCCC	130094654	573466097	/nfs/dbraw/zinc/46/60/97/573466097.db2.gz	RZQOGIXNFGKXGU-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@H]([NH2+]CCC)C(CCC)CCC	130112349	573466324	/nfs/dbraw/zinc/46/63/24/573466324.db2.gz	GRPBNXKDCVHBCW-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH2+]CC)[C@@H](C)C1CC1	715811791	573466348	/nfs/dbraw/zinc/46/63/48/573466348.db2.gz	DTJQDPMVTYAPHJ-GMXVVIOVSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[C@H](C)[C@@H]([NH2+]CC)[C@H](C)C1CC1	715811790	573466510	/nfs/dbraw/zinc/46/65/10/573466510.db2.gz	DTJQDPMVTYAPHJ-DMDPSCGWSA-N	1	0	195.350	3.223	10	30		AGEERO
Cc1ccc(C(C)C)cc1[C@H]([NH3+])S	259463613	573466831	/nfs/dbraw/zinc/46/68/31/573466831.db2.gz	OTHNFUYEVBKFMC-LLVKDONJSA-N	1	0	195.331	3.006	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]C)[C@@H](C)CCC	715810233	573466869	/nfs/dbraw/zinc/46/68/69/573466869.db2.gz	BJXJCLNZDDZYHG-SRVKXCTJSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]CC)[C@H](C)C1CC1	715811799	573466910	/nfs/dbraw/zinc/46/69/10/573466910.db2.gz	DTJQDPMVTYAPHJ-LOWVWBTDSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH2+]C)C1(CCC)CC1	715815227	573471022	/nfs/dbraw/zinc/47/10/22/573471022.db2.gz	QOGFUSKXDHBJSV-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH3+])c1ccoc1CC	715818111	573471110	/nfs/dbraw/zinc/47/11/10/573471110.db2.gz	XZNLGDSPIXDDIW-SKDRFNHKSA-N	1	0	193.290	3.054	10	30		AGEERO
C=CC[C@H](C)[C@@H]1CCCC[C@H]([NH2+]C)C1	715818078	573471419	/nfs/dbraw/zinc/47/14/19/573471419.db2.gz	XIQSVOCABDBJFO-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C[C@@H](CCC(C)(C)C)[NH2+][C@H](C)CC#N	308584715	573471442	/nfs/dbraw/zinc/47/14/42/573471442.db2.gz	RHIOHFDKCGSDHN-WDEREUQCSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CC[C@@H](C)C[C@@H](C)C[NH2+]CCC	715817275	573471778	/nfs/dbraw/zinc/47/17/78/573471778.db2.gz	ULOZTAYNQCQOEN-VXGBXAGGSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH3+])C1C(C)(C)C1(C)C	715816116	573471655	/nfs/dbraw/zinc/47/16/55/573471655.db2.gz	VJYMNRJWOPUFBK-NXEZZACHSA-N	1	0	195.350	3.208	10	30		AGEERO
C=CC[C@H](C)[C@@H](C[C@H](C)CC)[NH2+]C	715825419	573476450	/nfs/dbraw/zinc/47/64/50/573476450.db2.gz	BPJWRRMNIKCHGZ-GRYCIOLGSA-N	1	0	183.339	3.223	10	30		AGEERO
CC#CCCCCCCCCC[NH3+]	142213940	573476035	/nfs/dbraw/zinc/47/60/35/573476035.db2.gz	QEHBXRVOJKVSMN-UHFFFAOYSA-N	1	0	181.323	3.089	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](F)CC	308593863	573476194	/nfs/dbraw/zinc/47/61/94/573476194.db2.gz	LMTKDOGDMBQIPE-IJLUTSLNSA-N	1	0	199.313	3.069	10	30		AGEERO
C=C[C@@H](CC)[C@@H]([NH2+]CCC)C(C)C	238239691	573476989	/nfs/dbraw/zinc/47/69/89/573476989.db2.gz	BMWTVWOFYWGDTQ-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
CC[C@H](C)C[C@@H](CC)[NH2+][C@H](C)CC#N	308593858	573477183	/nfs/dbraw/zinc/47/71/83/573477183.db2.gz	LMSNKDPIBIPDDY-QJPTWQEYSA-N	1	0	196.338	3.093	10	30		AGEERO
CC[C@H](C)C[C@@H](CC)[NH2+][C@@H](C)CC#N	308593859	573478093	/nfs/dbraw/zinc/47/80/93/573478093.db2.gz	LMSNKDPIBIPDDY-SDDRHHMPSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CC[C@H](C)C1(C[NH2+]C)CCCCC1	715831878	573479041	/nfs/dbraw/zinc/47/90/41/573479041.db2.gz	WGMVPPOJPFZDCI-LBPRGKRZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@H](C)[C@](C)(CC)C[NH2+]C1CC1	715827104	573478975	/nfs/dbraw/zinc/47/89/75/573478975.db2.gz	FYUMODSXJLADBX-WCQYABFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@](C)(CC)C[NH2+]C1CC1	715827102	573480231	/nfs/dbraw/zinc/48/02/31/573480231.db2.gz	FYUMODSXJLADBX-DGCLKSJQSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)c1ccc(CC)o1	308597001	573480272	/nfs/dbraw/zinc/48/02/72/573480272.db2.gz	MWXQIYWEVWYUAQ-JTQLQIEISA-N	1	0	193.290	3.069	10	30		AGEERO
C=C(C)C[N@@H+](CCCC)[C@H](C)CC	388690660	573482595	/nfs/dbraw/zinc/48/25/95/573482595.db2.gz	KUJTYWLOYOCTES-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C#C[C@@H]([NH3+])CCCCCCCCC	130194319	573482847	/nfs/dbraw/zinc/48/28/47/573482847.db2.gz	MPXQNWOKPVCSLE-GFCCVEGCSA-N	1	0	181.323	3.088	10	30		AGEERO
C#C[C@H](C[C@@H](C)CC(C)(C)C)[NH2+]CC	130233368	573489866	/nfs/dbraw/zinc/48/98/66/573489866.db2.gz	LIJBYFIZPHIHKQ-VXGBXAGGSA-N	1	0	195.350	3.060	10	30		AGEERO
CC#CCCCC[NH2+]C(C)(CC)CC	308608888	573498682	/nfs/dbraw/zinc/49/86/82/573498682.db2.gz	QDZOTGHDJICECU-UHFFFAOYSA-N	1	0	195.350	3.348	10	30		AGEERO
C=C[C@H](C)C[N@@H+](C)CC/C=C\CC	308397851	573498861	/nfs/dbraw/zinc/49/88/61/573498861.db2.gz	FJWFLAOXFXTDSO-KRZKBDHCSA-N	1	0	181.323	3.097	10	30		AGEERO
CCCCC[NH2+][C@H](CC#N)CC(C)C	308608848	573498979	/nfs/dbraw/zinc/49/89/79/573498979.db2.gz	QDDSKLNEZYTVNZ-GFCCVEGCSA-N	1	0	196.338	3.095	10	30		AGEERO
C#C[C@H](C[C@H](C)C(C)(C)C)[NH2+]CCC	130249491	573499031	/nfs/dbraw/zinc/49/90/31/573499031.db2.gz	XZIFIXSRTAERHP-NWDGAFQWSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C[C@H](C)C[N@@H+](C)CC/C=C/CC	308397850	573499591	/nfs/dbraw/zinc/49/95/91/573499591.db2.gz	FJWFLAOXFXTDSO-GUOLPTJISA-N	1	0	181.323	3.097	10	30		AGEERO
C#C[C@@H](C[C@@H](C)C(C)(C)C)[NH2+]CCC	130249276	573502201	/nfs/dbraw/zinc/50/22/01/573502201.db2.gz	XZIFIXSRTAERHP-NEPJUHHUSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@H](C[C@@H](C)C(C)(C)C)[NH2+]CCC	130249059	573502553	/nfs/dbraw/zinc/50/25/53/573502553.db2.gz	XZIFIXSRTAERHP-VXGBXAGGSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(C)C[N@@H+](CCC)C1CCCC1	308397199	573510620	/nfs/dbraw/zinc/51/06/20/573510620.db2.gz	FBNNRFMLKJMQOD-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C#CCCCC[NH2+][C@H](CC)C(C)(C)C	308609880	573510822	/nfs/dbraw/zinc/51/08/22/573510822.db2.gz	QIPPOILNUJYNMT-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@H](CCCCCCCC)[NH2+]CC	130298233	573513513	/nfs/dbraw/zinc/51/35/13/573513513.db2.gz	ONCYKLWMHLCTFD-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)CC1CC1	308604196	573517242	/nfs/dbraw/zinc/51/72/42/573517242.db2.gz	BIMQZUYQSCQTNW-TUAOUCFPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC1CC1	308604190	573517310	/nfs/dbraw/zinc/51/73/10/573517310.db2.gz	BIMQZUYQSCQTNW-QJPTWQEYSA-N	1	0	195.350	3.365	10	30		AGEERO
C#CCCC[NH2+]CCCCCCC=C	308604026	573517574	/nfs/dbraw/zinc/51/75/74/573517574.db2.gz	PCJJPQLNUZGOQO-UHFFFAOYSA-N	1	0	193.334	3.126	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)CC1CC1	308604195	573520133	/nfs/dbraw/zinc/52/01/33/573520133.db2.gz	BIMQZUYQSCQTNW-SRVKXCTJSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@@H]([C@H](CCC)[NH2+]C)[Si](C)(C)C	238255431	573520328	/nfs/dbraw/zinc/52/03/28/573520328.db2.gz	YDPWHWAWNUYABD-QWRGUYRKSA-N	1	0	199.414	3.269	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)c1cc(C)c(C)o1	308569160	573526011	/nfs/dbraw/zinc/52/60/11/573526011.db2.gz	JHLAYUHODVKDGQ-SNVBAGLBSA-N	1	0	193.290	3.123	10	30		AGEERO
Cc1cccc2c(/C=[NH+]\C3CC3)c[nH]c12	308612756	573523191	/nfs/dbraw/zinc/52/31/91/573523191.db2.gz	HNJSOOKVBPESLP-AUWJEWJLSA-N	1	0	198.269	3.058	10	30		AGEERO
C[C@@H](/[NH+]=C/c1ccc[nH]1)c1ccccc1	308614298	573525315	/nfs/dbraw/zinc/52/53/15/573525315.db2.gz	SAEJGMYKKAITSQ-HGLKBHAMSA-N	1	0	198.269	3.195	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H]1CCC	308611929	573525376	/nfs/dbraw/zinc/52/53/76/573525376.db2.gz	QYWYOMZGHQYXJB-CYDGBPFRSA-N	1	0	195.350	3.365	10	30		AGEERO
C#C[C@H]([NH2+]CC(C)(C)CC)C(C)(C)C	308614767	573542835	/nfs/dbraw/zinc/54/28/35/573542835.db2.gz	ROEGPVODZBVNNF-NSHDSACASA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]CC1(CC)CC1	308629466	573550794	/nfs/dbraw/zinc/55/07/94/573550794.db2.gz	YHXNDIXJVFUUQI-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]CC1(CC)CC1	308629464	573551008	/nfs/dbraw/zinc/55/10/08/573551008.db2.gz	YHXNDIXJVFUUQI-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C#CC[C@H](C)[NH2+][C@@H](CCC)CCCC	308629832	573551556	/nfs/dbraw/zinc/55/15/56/573551556.db2.gz	YNDPROOPDNZNCB-STQMWFEESA-N	1	0	195.350	3.347	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[NH2+]CC1(CC)CC1	308629462	573551577	/nfs/dbraw/zinc/55/15/77/573551577.db2.gz	YHXNDIXJVFUUQI-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[NH2+]CC1(CC)CC1	308629468	573551844	/nfs/dbraw/zinc/55/18/44/573551844.db2.gz	YHXNDIXJVFUUQI-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
CCC#C[C@@H](C)[NH2+][C@@H](C)C(CC)CC	308620173	573559490	/nfs/dbraw/zinc/55/94/90/573559490.db2.gz	SSVWVSDXLIUVSN-NEPJUHHUSA-N	1	0	195.350	3.203	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[N@@H+](CC)CCC	393536898	573566614	/nfs/dbraw/zinc/56/66/14/573566614.db2.gz	HVKNVCLFNGYWIW-NWDGAFQWSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[N@@H+](CC)CCC	393536897	573569147	/nfs/dbraw/zinc/56/91/47/573569147.db2.gz	HVKNVCLFNGYWIW-NEPJUHHUSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C[C@H]([NH2+]C)C1(CC(C)C)CCCC1	130505341	573570983	/nfs/dbraw/zinc/57/09/83/573570983.db2.gz	XNTMUYRJWLQDSP-LBPRGKRZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@H]1CC[C@H](F)C1	308633761	573571577	/nfs/dbraw/zinc/57/15/77/573571577.db2.gz	ALZYJOPXLBLZKU-SRVKXCTJSA-N	1	0	199.313	3.211	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H](F)C1	308633757	573571673	/nfs/dbraw/zinc/57/16/73/573571673.db2.gz	ALZYJOPXLBLZKU-GRYCIOLGSA-N	1	0	199.313	3.211	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H](F)C1	308633759	573572379	/nfs/dbraw/zinc/57/23/79/573572379.db2.gz	ALZYJOPXLBLZKU-SDDRHHMPSA-N	1	0	199.313	3.211	10	30		AGEERO
C=C[C@@H]([NH2+]C)C1(CC(C)C)CCCC1	130505077	573574784	/nfs/dbraw/zinc/57/47/84/573574784.db2.gz	XNTMUYRJWLQDSP-GFCCVEGCSA-N	1	0	195.350	3.367	10	30		AGEERO
CCCC[C@@H](C)[N@H+](C)[C@H](CC)CC#N	308636438	573574755	/nfs/dbraw/zinc/57/47/55/573574755.db2.gz	BCTLWHYESTTZNT-VXGBXAGGSA-N	1	0	196.338	3.189	10	30		AGEERO
CCCC[C@H](C)[N@H+](C)[C@@H](CC)CC#N	308636437	573576601	/nfs/dbraw/zinc/57/66/01/573576601.db2.gz	BCTLWHYESTTZNT-RYUDHWBXSA-N	1	0	196.338	3.189	10	30		AGEERO
CCCC[C@@H](C)[N@H+](C)[C@@H](CC)CC#N	308636435	573575711	/nfs/dbraw/zinc/57/57/11/573575711.db2.gz	BCTLWHYESTTZNT-NEPJUHHUSA-N	1	0	196.338	3.189	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)C(C)C	308636162	573579262	/nfs/dbraw/zinc/57/92/62/573579262.db2.gz	CLFXMCGJLGNRQT-RWMBFGLXSA-N	1	0	197.366	3.469	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)C(C)C	308636163	573579270	/nfs/dbraw/zinc/57/92/70/573579270.db2.gz	CLFXMCGJLGNRQT-XQQFMLRXSA-N	1	0	197.366	3.469	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1C(C)C	308638423	573580693	/nfs/dbraw/zinc/58/06/93/573580693.db2.gz	DBNPOONFSFMMNL-XQQFMLRXSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C(C)C	308638424	573581467	/nfs/dbraw/zinc/58/14/67/573581467.db2.gz	DBNPOONFSFMMNL-YNEHKIRRSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC[C@@H]1CC=C	308637961	573581595	/nfs/dbraw/zinc/58/15/95/573581595.db2.gz	CYYRRNKMRCOHJC-STQMWFEESA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@@H](C2CC2)C1	308638444	573581789	/nfs/dbraw/zinc/58/17/89/573581789.db2.gz	DCPHQWMVBBHJNB-CHWSQXEVSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC[C@H]1CC=C	308637958	573581952	/nfs/dbraw/zinc/58/19/52/573581952.db2.gz	CYYRRNKMRCOHJC-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
CC#CCCCC[NH2+]C[C@@H](C)C(C)C	308637977	573582360	/nfs/dbraw/zinc/58/23/60/573582360.db2.gz	CZIWWOWUJDWTPI-CYBMUJFWSA-N	1	0	195.350	3.062	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@H](C2CC2)C1	308638446	573582618	/nfs/dbraw/zinc/58/26/18/573582618.db2.gz	DCPHQWMVBBHJNB-QWHCGFSZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@H](C2CC2)C1	308638447	573582667	/nfs/dbraw/zinc/58/26/67/573582667.db2.gz	DCPHQWMVBBHJNB-STQMWFEESA-N	1	0	193.334	3.121	10	30		AGEERO
CC#CCCCC[NH2+]C[C@H](C)C(C)C	308637982	573583216	/nfs/dbraw/zinc/58/32/16/573583216.db2.gz	CZIWWOWUJDWTPI-ZDUSSCGKSA-N	1	0	195.350	3.062	10	30		AGEERO
C=CCCC[C@@H](C)Nc1cc[nH+]cc1	308639085	573585140	/nfs/dbraw/zinc/58/51/40/573585140.db2.gz	DFNKSEYWMKVICO-LLVKDONJSA-N	1	0	190.290	3.238	10	30		AGEERO
C=C[C@@H](C)[NH2+]CC1CCCCCC1	130443896	573584647	/nfs/dbraw/zinc/58/46/47/573584647.db2.gz	DTESWBBMDRGLNK-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC[C@@H]1CC=C	308637960	573584730	/nfs/dbraw/zinc/58/47/30/573584730.db2.gz	CYYRRNKMRCOHJC-QWHCGFSZSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC[C@H]1CC=C	308637959	573585308	/nfs/dbraw/zinc/58/53/08/573585308.db2.gz	CYYRRNKMRCOHJC-OLZOCXBDSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CCC[C@H]1C(C)C	308638421	573586540	/nfs/dbraw/zinc/58/65/40/573586540.db2.gz	DBNPOONFSFMMNL-AVGNSLFASA-N	1	0	195.350	3.365	10	30		AGEERO
CCCCCCCC[C@@H](F)CC[NH3+]	130466115	573589858	/nfs/dbraw/zinc/58/98/58/573589858.db2.gz	WOSKMZVUJRQNQV-LLVKDONJSA-N	1	0	189.318	3.424	10	30		AGEERO
CCCCCCCC[C@H](F)CC[NH3+]	130465921	573590024	/nfs/dbraw/zinc/59/00/24/573590024.db2.gz	WOSKMZVUJRQNQV-NSHDSACASA-N	1	0	189.318	3.424	10	30		AGEERO
C=C[C@@H]([NH2+]CC)[C@@H](CC)CCCC	130561286	573599845	/nfs/dbraw/zinc/59/98/45/573599845.db2.gz	SLQVKJPOTIJNRR-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C1(C)CC1	308645341	573596834	/nfs/dbraw/zinc/59/68/34/573596834.db2.gz	HFHPOXUNLXQLJD-TUAOUCFPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C1(C)CC1	308645340	573597721	/nfs/dbraw/zinc/59/77/21/573597721.db2.gz	HFHPOXUNLXQLJD-SRVKXCTJSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C1(C)CC1	308645339	573600219	/nfs/dbraw/zinc/60/02/19/573600219.db2.gz	HFHPOXUNLXQLJD-SDDRHHMPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@@H](C[C@H](C)C(C)(C)C)[NH2+]CC	130493499	573601315	/nfs/dbraw/zinc/60/13/15/573601315.db2.gz	VFHMAHUHZZLBJP-QWRGUYRKSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C[C@H](C)[NH2+][C@@H](CC(C)(C)C)C1CC1	308647340	573602825	/nfs/dbraw/zinc/60/28/25/573602825.db2.gz	IJRPDWUKEZXIHS-JQWIXIFHSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@H]([NH2+]CC)[C@@H](CC)CCCC	130561685	573603535	/nfs/dbraw/zinc/60/35/35/573603535.db2.gz	SLQVKJPOTIJNRR-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@H](CC(C)(C)C)C1CC1	308647342	573603949	/nfs/dbraw/zinc/60/39/49/573603949.db2.gz	IJRPDWUKEZXIHS-ZYHUDNBSSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@H](C)[NH2+][C@H](CC(C)(C)C)C1CC1	308647339	573604784	/nfs/dbraw/zinc/60/47/84/573604784.db2.gz	IJRPDWUKEZXIHS-CMPLNLGQSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CC1	308647095	573605013	/nfs/dbraw/zinc/60/50/13/573605013.db2.gz	IEXWSGPBJNZJEO-DRZSPHRISA-N	1	0	193.334	3.119	10	30		AGEERO
C=C[C@H]([NH3+])C1CCC(CCCC)CC1	130585125	573605465	/nfs/dbraw/zinc/60/54/65/573605465.db2.gz	WYGFMQNPGNEXMF-BPCQOVAHSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C[C@H]([NH2+]CCC)c1ccc(C)s1	130577928	573605626	/nfs/dbraw/zinc/60/56/26/573605626.db2.gz	LPHCRTYOVKEHAY-JTQLQIEISA-N	1	0	195.331	3.283	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CC1	308647094	573605630	/nfs/dbraw/zinc/60/56/30/573605630.db2.gz	IEXWSGPBJNZJEO-CYZMBNFOSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CC1	308647097	573606097	/nfs/dbraw/zinc/60/60/97/573606097.db2.gz	IEXWSGPBJNZJEO-WCFLWFBJSA-N	1	0	193.334	3.119	10	30		AGEERO
C=C[C@H](CCCCCC)[NH2+]CC	130520964	573617561	/nfs/dbraw/zinc/61/75/61/573617561.db2.gz	LUVDNWBMVAHRSG-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1cccc(C)c1C	130520093	573618075	/nfs/dbraw/zinc/61/80/75/573618075.db2.gz	GNXCBEUFDJOMAO-ZDUSSCGKSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C[C@H](CCC1CCCCC1)[NH2+]C	130515866	573618305	/nfs/dbraw/zinc/61/83/05/573618305.db2.gz	QREYJFRABXAQER-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[C@@H]([NH3+])[C@@H](C)C1CC1	235066742	573618434	/nfs/dbraw/zinc/61/84/34/573618434.db2.gz	WPYOJMDCEWROEC-WCQYABFASA-N	1	0	195.350	3.496	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1cccc(C)c1C	130520339	573618748	/nfs/dbraw/zinc/61/87/48/573618748.db2.gz	GNXCBEUFDJOMAO-CYBMUJFWSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1ccc(CC)s1	130619480	573619646	/nfs/dbraw/zinc/61/96/46/573619646.db2.gz	CFFOXKKQUMWBQG-SNVBAGLBSA-N	1	0	195.331	3.147	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)C1CC1	308659416	573620222	/nfs/dbraw/zinc/62/02/22/573620222.db2.gz	PKHMPCQIUOSMBK-RAIGVLPGSA-N	1	0	193.334	3.119	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1ccc(CC)s1	130619751	573620367	/nfs/dbraw/zinc/62/03/67/573620367.db2.gz	CFFOXKKQUMWBQG-JTQLQIEISA-N	1	0	195.331	3.147	10	30		AGEERO
CCCCCCC[C@H](F)CC[NH3+]	130518505	573620659	/nfs/dbraw/zinc/62/06/59/573620659.db2.gz	BWKPANKVZIXCJJ-JTQLQIEISA-N	1	0	175.291	3.034	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C1CC1	308659417	573620984	/nfs/dbraw/zinc/62/09/84/573620984.db2.gz	PKHMPCQIUOSMBK-RTXFEEFZSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C1[C@H](C)CC[C@H]1C	308644241	573621285	/nfs/dbraw/zinc/62/12/85/573621285.db2.gz	GQCNQZXTFMWZRF-UTUOFQBUSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C(C)C[NH+](CCCC)CC(=C)C	308408040	573621465	/nfs/dbraw/zinc/62/14/65/573621465.db2.gz	KOLMVWVHIKZNKO-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CC[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1C	308658820	573621429	/nfs/dbraw/zinc/62/14/29/573621429.db2.gz	PDUWJYXRCIQGOM-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H](CC1CCCCCC1)[NH2+]C	130536792	573623272	/nfs/dbraw/zinc/62/32/72/573623272.db2.gz	ZARNTNLYEFDUTG-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H](CC1CCCCCC1)[NH2+]C	130536571	573623322	/nfs/dbraw/zinc/62/33/22/573623322.db2.gz	ZARNTNLYEFDUTG-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)C1CC1	308659429	573623721	/nfs/dbraw/zinc/62/37/21/573623721.db2.gz	PKTQAQBYTNXEQS-SDDRHHMPSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1C	308658825	573623817	/nfs/dbraw/zinc/62/38/17/573623817.db2.gz	PDUWJYXRCIQGOM-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C	308658832	573625148	/nfs/dbraw/zinc/62/51/48/573625148.db2.gz	PDUWJYXRCIQGOM-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C1CC1	308659418	573624304	/nfs/dbraw/zinc/62/43/04/573624304.db2.gz	PKHMPCQIUOSMBK-UHTWSYAYSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C1[C@@H](C)CC[C@@H]1C	308644240	573624488	/nfs/dbraw/zinc/62/44/88/573624488.db2.gz	GQCNQZXTFMWZRF-SRVKXCTJSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1[C@@H](C)CC[C@H]1C	308644239	573624862	/nfs/dbraw/zinc/62/48/62/573624862.db2.gz	GQCNQZXTFMWZRF-QNWHQSFQSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)C1CC1	308659431	573624984	/nfs/dbraw/zinc/62/49/84/573624984.db2.gz	PKTQAQBYTNXEQS-TUAOUCFPSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1cc(C)c(C)s1	130543590	573626468	/nfs/dbraw/zinc/62/64/68/573626468.db2.gz	ATAIVOQRUNOHBM-SNVBAGLBSA-N	1	0	195.331	3.202	10	30		AGEERO
C=C[C@@H]([NH3+])C1(CC(C)C)CCCC1	130537931	573626077	/nfs/dbraw/zinc/62/60/77/573626077.db2.gz	SIYHWKBXFBZRBI-LLVKDONJSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@H]([NH3+])C1(CC(C)C)CCCC1	130538149	573626256	/nfs/dbraw/zinc/62/62/56/573626256.db2.gz	SIYHWKBXFBZRBI-NSHDSACASA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1cc(C)c(C)s1	130543362	573626506	/nfs/dbraw/zinc/62/65/06/573626506.db2.gz	ATAIVOQRUNOHBM-JTQLQIEISA-N	1	0	195.331	3.202	10	30		AGEERO
C=C(C)C[C@@H](C)[NH2+]Cc1ccccc1	238453842	573626529	/nfs/dbraw/zinc/62/65/29/573626529.db2.gz	LZQUIDZHZODADG-GFCCVEGCSA-N	1	0	189.302	3.131	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H]1C	308650139	573626714	/nfs/dbraw/zinc/62/67/14/573626714.db2.gz	JWCLOUJATXRCDE-RNJOBUHISA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)c1ccco1	126681715	573627027	/nfs/dbraw/zinc/62/70/27/573627027.db2.gz	RCYMWBUAGRPQNR-MNOVXSKESA-N	1	0	193.290	3.285	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C	308650138	573630634	/nfs/dbraw/zinc/63/06/34/573630634.db2.gz	JWCLOUJATXRCDE-QNWHQSFQSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@@H](CC1CCCCC1)[NH2+]CC	130551182	573630773	/nfs/dbraw/zinc/63/07/73/573630773.db2.gz	HCGGROFXJJNJNL-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1cc(C)oc1C	130553646	573631111	/nfs/dbraw/zinc/63/11/11/573631111.db2.gz	IVJUEOFZMAMLNX-GFCCVEGCSA-N	1	0	193.290	3.123	10	30		AGEERO
C=CC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1	308650627	573633583	/nfs/dbraw/zinc/63/35/83/573633583.db2.gz	KEXGVTPMPBWEST-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+](C)CCCC	393544338	573636831	/nfs/dbraw/zinc/63/68/31/573636831.db2.gz	FCXZLBMZDMXNBD-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]C1CCC(F)CC1	308652528	573639751	/nfs/dbraw/zinc/63/97/51/573639751.db2.gz	LQGWTINUYRGSMQ-VOMCLLRMSA-N	1	0	199.313	3.211	10	30		AGEERO
C/C(=C/C#CC(C)(C)C)CCCC[NH3+]	308651136	573641906	/nfs/dbraw/zinc/64/19/06/573641906.db2.gz	KDPPRMQJUDLHHX-XFXZXTDPSA-N	1	0	193.334	3.111	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)C1C(C)(C)C1(C)C	130663631	573642179	/nfs/dbraw/zinc/64/21/79/573642179.db2.gz	GVWFCFSGDXSUOP-SNVBAGLBSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1ccc(C)c(C)c1	130651167	573642259	/nfs/dbraw/zinc/64/22/59/573642259.db2.gz	PBVKYFBWPNXHRC-CYBMUJFWSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1ccc(C)cc1C	130678815	573642272	/nfs/dbraw/zinc/64/22/72/573642272.db2.gz	BHEFQCZAQUOIRV-ZDUSSCGKSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1cc(C)ccc1C	130676958	573642356	/nfs/dbraw/zinc/64/23/56/573642356.db2.gz	VJLGDDGVLKVELK-CYBMUJFWSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C(C)CCC(C)(C)C[NH2+]CCC	317619181	573644399	/nfs/dbraw/zinc/64/43/99/573644399.db2.gz	SZHVIJAPLGBDMA-UHFFFAOYSA-N	1	0	183.339	3.369	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1ccc(C)cc1C	130679020	573643682	/nfs/dbraw/zinc/64/36/82/573643682.db2.gz	BHEFQCZAQUOIRV-CYBMUJFWSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C[C@H]([NH2+]CCC)C1C(C)(C)C1(C)C	130663436	573644405	/nfs/dbraw/zinc/64/44/05/573644405.db2.gz	GVWFCFSGDXSUOP-JTQLQIEISA-N	1	0	195.350	3.223	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1sccc1CC	130657357	573643965	/nfs/dbraw/zinc/64/39/65/573643965.db2.gz	GAOQJHUDERWQMC-SNVBAGLBSA-N	1	0	195.331	3.147	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1sccc1CC	130657589	573644414	/nfs/dbraw/zinc/64/44/14/573644414.db2.gz	GAOQJHUDERWQMC-JTQLQIEISA-N	1	0	195.331	3.147	10	30		AGEERO
C=C[C@@H]([NH2+]CC)C(CCC)CCC	130673686	573644913	/nfs/dbraw/zinc/64/49/13/573644913.db2.gz	BWXFFIVCSWRXOE-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)C1(C)CCCC1	130656763	573645115	/nfs/dbraw/zinc/64/51/15/573645115.db2.gz	ORKILGXHFFAOAY-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1cc(C)ccc1C	130676737	573645659	/nfs/dbraw/zinc/64/56/59/573645659.db2.gz	VJLGDDGVLKVELK-ZDUSSCGKSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C[C@H]([NH2+]CCC)C1(C)CCCC1	130656563	573645710	/nfs/dbraw/zinc/64/57/10/573645710.db2.gz	ORKILGXHFFAOAY-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H](C[C@@H](C)CC(C)(C)C)[NH2+]C	130681604	573647059	/nfs/dbraw/zinc/64/70/59/573647059.db2.gz	QMPRPMRPBJFWRV-GHMZBOCLSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCCCC[C@H](C)[NH2+]CC#CC	308658237	573649413	/nfs/dbraw/zinc/64/94/13/573649413.db2.gz	OYTYUHXOAFMYOL-ZDUSSCGKSA-N	1	0	193.334	3.124	10	30		AGEERO
CC[C@H](CC#N)[N@H+](CC)CC(C)(C)C	308656217	573649765	/nfs/dbraw/zinc/64/97/65/573649765.db2.gz	NPOQMRZAGOJYMJ-LLVKDONJSA-N	1	0	196.338	3.047	10	30		AGEERO
C=C[C@@H](C[C@H](C)CC(C)(C)C)[NH2+]C	130681796	573650136	/nfs/dbraw/zinc/65/01/36/573650136.db2.gz	QMPRPMRPBJFWRV-QWRGUYRKSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[NH2+]C[C@@H](C)CC1CCCCC1	308658136	573651247	/nfs/dbraw/zinc/65/12/47/573651247.db2.gz	OWRUNQROHCJVSE-LBPRGKRZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1cc(C)cc(C)c1	130705225	573654568	/nfs/dbraw/zinc/65/45/68/573654568.db2.gz	QCWCMKNNCFVHGP-CYBMUJFWSA-N	1	0	189.302	3.140	10	30		AGEERO
C=CC[C@H](C)[NH2+]CCC1=CCCCC1	385150320	573659803	/nfs/dbraw/zinc/65/98/03/573659803.db2.gz	JYGQMFQACRDPEI-LBPRGKRZSA-N	1	0	193.334	3.431	10	30		AGEERO
CC(C)(C)CC[C@@H]([NH3+])CCCCC#N	259550576	573670345	/nfs/dbraw/zinc/67/03/45/573670345.db2.gz	DGOVHBSIURXADP-NSHDSACASA-N	1	0	196.338	3.224	10	30		AGEERO
CC(C)(C)CC[C@H]([NH3+])CCCCC#N	259550575	573671609	/nfs/dbraw/zinc/67/16/09/573671609.db2.gz	DGOVHBSIURXADP-LLVKDONJSA-N	1	0	196.338	3.224	10	30		AGEERO
CCCCCCCC1(F)CC([NH3+])C1	126749023	573673771	/nfs/dbraw/zinc/67/37/71/573673771.db2.gz	HXFFNROJJQSYML-UHFFFAOYSA-N	1	0	187.302	3.176	10	30		AGEERO
C=C[C@H](C)[N@H+](CCCC)[C@H](C)CC	308414775	573674953	/nfs/dbraw/zinc/67/49/53/573674953.db2.gz	MWJXGRPMYZKZEH-NWDGAFQWSA-N	1	0	183.339	3.462	10	30		AGEERO
C=C[C@@H](C)[N@H+](CCCC)[C@H](C)CC	308414778	573676704	/nfs/dbraw/zinc/67/67/04/573676704.db2.gz	MWJXGRPMYZKZEH-VXGBXAGGSA-N	1	0	183.339	3.462	10	30		AGEERO
C=C[C@H](C)[N@H+](CCCC)[C@@H](C)CC	308414777	573678197	/nfs/dbraw/zinc/67/81/97/573678197.db2.gz	MWJXGRPMYZKZEH-RYUDHWBXSA-N	1	0	183.339	3.462	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1ccc(C)s1	130838022	573680266	/nfs/dbraw/zinc/68/02/66/573680266.db2.gz	NPDAPXQVDBOYBV-SNVBAGLBSA-N	1	0	195.331	3.283	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1sccc1CC	130826577	573680997	/nfs/dbraw/zinc/68/09/97/573680997.db2.gz	ZPXCQBFPGBVYLO-SNVBAGLBSA-N	1	0	195.331	3.277	10	30		AGEERO
C=CC[N@@H+](C)CCCCCCC	215595960	573681151	/nfs/dbraw/zinc/68/11/51/573681151.db2.gz	IAKOIRIAPFDKRS-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC=C)c1ccco1	308670877	573683694	/nfs/dbraw/zinc/68/36/94/573683694.db2.gz	VBJYZGXKQICEPG-LLVKDONJSA-N	1	0	191.274	3.063	10	30		AGEERO
C=CCC[NH2+][C@H](C)[C@@H]1CCC[C@H](C)C1	308674303	573683743	/nfs/dbraw/zinc/68/37/43/573683743.db2.gz	VTQPHRBSDFRTQD-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H]1C=CCCC1	393548676	573683978	/nfs/dbraw/zinc/68/39/78/573683978.db2.gz	MHUKVQFGGCYIKA-RYUDHWBXSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1C=CCCC1	393548677	573684000	/nfs/dbraw/zinc/68/40/00/573684000.db2.gz	MHUKVQFGGCYIKA-VXGBXAGGSA-N	1	0	179.307	3.039	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1ccc(C)s1	130838225	573684312	/nfs/dbraw/zinc/68/43/12/573684312.db2.gz	NPDAPXQVDBOYBV-JTQLQIEISA-N	1	0	195.331	3.283	10	30		AGEERO
C=CCC[NH2+][C@H](C)[C@H]1CCC[C@@H](C)C1	308674301	573684467	/nfs/dbraw/zinc/68/44/67/573684467.db2.gz	VTQPHRBSDFRTQD-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+][C@@H](C)c1c(C)cccc1C	308668005	573685172	/nfs/dbraw/zinc/68/51/72/573685172.db2.gz	UFYXCJKPWFEOCD-LBPRGKRZSA-N	1	0	189.302	3.140	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H]1C=CCCC1	393548673	573685224	/nfs/dbraw/zinc/68/52/24/573685224.db2.gz	MHUKVQFGGCYIKA-NEPJUHHUSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+]C1CC(C)C1	308671268	573686872	/nfs/dbraw/zinc/68/68/72/573686872.db2.gz	VEJDIWALUKQPML-POOIEITISA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[NH2+][C@H](C)[C@@H]1CCC[C@@H](C)C1	308674300	573686925	/nfs/dbraw/zinc/68/69/25/573686925.db2.gz	VTQPHRBSDFRTQD-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H](C)CC1CC1	126835066	573690045	/nfs/dbraw/zinc/69/00/45/573690045.db2.gz	UCQKCJOVFRHOLY-MNOVXSKESA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)C1(CCC)CC1	393550688	573690435	/nfs/dbraw/zinc/69/04/35/573690435.db2.gz	QLNCFIREFJBOKT-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H](C)CC1CC1	126835278	573691257	/nfs/dbraw/zinc/69/12/57/573691257.db2.gz	UCQKCJOVFRHOLY-WDEREUQCSA-N	1	0	181.323	3.119	10	30		AGEERO
CCCCCCCC[NH2+]CCCF	126827456	573692633	/nfs/dbraw/zinc/69/26/33/573692633.db2.gz	JHIBRZGUIZENGF-UHFFFAOYSA-N	1	0	189.318	3.296	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H](C)CC1CC1	126835504	573692749	/nfs/dbraw/zinc/69/27/49/573692749.db2.gz	UCQKCJOVFRHOLY-GHMZBOCLSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C[C@@H](C)[NH2+]C[C@@H]1CCCC(C)(C)C1	308685604	573699943	/nfs/dbraw/zinc/69/99/43/573699943.db2.gz	ZIDROLSLIPIBLL-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[N@H+]([C@@H](C)C(C)C)[C@H](C)CC	393552022	573700905	/nfs/dbraw/zinc/70/09/05/573700905.db2.gz	SQHOOTFEBKSAOO-NEPJUHHUSA-N	1	0	183.339	3.317	10	30		AGEERO
C=CC[N@@H+]([C@H](C)CC)[C@H](C)C(C)C	393552027	573700419	/nfs/dbraw/zinc/70/04/19/573700419.db2.gz	SQHOOTFEBKSAOO-VXGBXAGGSA-N	1	0	183.339	3.317	10	30		AGEERO
C=CC[N@@H+]([C@@H](C)CC)[C@@H](C)C(C)C	393552026	573701007	/nfs/dbraw/zinc/70/10/07/573701007.db2.gz	SQHOOTFEBKSAOO-RYUDHWBXSA-N	1	0	183.339	3.317	10	30		AGEERO
C=CC[C@@H]([NH3+])c1cc(C)ccc1Cl	238482079	573701689	/nfs/dbraw/zinc/70/16/89/573701689.db2.gz	FLMBHUWYHUATOI-LLVKDONJSA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)C(C)(C)C(C)(C)C	308425602	573701927	/nfs/dbraw/zinc/70/19/27/573701927.db2.gz	WKVRBPHFSQFWLV-SNVBAGLBSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)C(C)(C)C(C)(C)C	308425601	573702039	/nfs/dbraw/zinc/70/20/39/573702039.db2.gz	WKVRBPHFSQFWLV-JTQLQIEISA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(C)C	308683274	573702108	/nfs/dbraw/zinc/70/21/08/573702108.db2.gz	YKXBUIJUCOUSTG-UPJWGTAASA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(C)C	308683275	573703194	/nfs/dbraw/zinc/70/31/94/573703194.db2.gz	YKXBUIJUCOUSTG-XQQFMLRXSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@@H]1CCCC(C)(C)C1	308685601	573703240	/nfs/dbraw/zinc/70/32/40/573703240.db2.gz	ZIDROLSLIPIBLL-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(C)C	308683276	573703281	/nfs/dbraw/zinc/70/32/81/573703281.db2.gz	YKXBUIJUCOUSTG-YNEHKIRRSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@]1(C)CC=CCC1	715003288	573708543	/nfs/dbraw/zinc/70/85/43/573708543.db2.gz	BVZXZOQYXKEKQU-RYUDHWBXSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@]1(C)CC=CCC1	715003290	573709086	/nfs/dbraw/zinc/70/90/86/573709086.db2.gz	BVZXZOQYXKEKQU-VXGBXAGGSA-N	1	0	179.307	3.039	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@H](CC)CCCC	130788788	573712113	/nfs/dbraw/zinc/71/21/13/573712113.db2.gz	XKNDJAPRKRINQN-NEPJUHHUSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])[C@@H](CC)CCCC	130788577	573712656	/nfs/dbraw/zinc/71/26/56/573712656.db2.gz	XKNDJAPRKRINQN-NWDGAFQWSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(C)C[C@H](CCCCC)[NH2+]C	130951158	573715713	/nfs/dbraw/zinc/71/57/13/573715713.db2.gz	DQZRDADOBFBXFD-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@H](C[C@@H](C)CC)[NH2+]CC	130865676	573715729	/nfs/dbraw/zinc/71/57/29/573715729.db2.gz	QAEFCSTXWMLFPW-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]C)c1ccc(CC)o1	130957957	573716032	/nfs/dbraw/zinc/71/60/32/573716032.db2.gz	RROPQYNJEHKWAS-NSHDSACASA-N	1	0	193.290	3.069	10	30		AGEERO
C=C(C)C[C@H]([NH3+])C(CCC)CCC	130945568	573716535	/nfs/dbraw/zinc/71/65/35/573716535.db2.gz	LQPFXNYBCPCBCE-LBPRGKRZSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])C(CCC)CCC	130945355	573717384	/nfs/dbraw/zinc/71/73/84/573717384.db2.gz	LQPFXNYBCPCBCE-GFCCVEGCSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(C)C[C@@H](CCCCC)[NH2+]C	130951414	573717535	/nfs/dbraw/zinc/71/75/35/573717535.db2.gz	DQZRDADOBFBXFD-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[C@@H](C[C@H](C)CC)[NH2+]CC	130865905	573717568	/nfs/dbraw/zinc/71/75/68/573717568.db2.gz	QAEFCSTXWMLFPW-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1ccccc1CC	130943282	573717706	/nfs/dbraw/zinc/71/77/06/573717706.db2.gz	DQTVYSMYNKYUAU-CYBMUJFWSA-N	1	0	189.302	3.215	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1sccc1C	130947032	573717830	/nfs/dbraw/zinc/71/78/30/573717830.db2.gz	IPVSAXRLXSRHNM-SNVBAGLBSA-N	1	0	195.331	3.283	10	30		AGEERO
C=C(C)C[C@H](C[C@H](C)CC)[NH2+]CC	130865431	573718092	/nfs/dbraw/zinc/71/80/92/573718092.db2.gz	QAEFCSTXWMLFPW-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H](C[C@@H](C)CC)[NH2+]CC	130866096	573718762	/nfs/dbraw/zinc/71/87/62/573718762.db2.gz	QAEFCSTXWMLFPW-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)c1ccc(C)o1	130901516	573720062	/nfs/dbraw/zinc/72/00/62/573720062.db2.gz	FUVVEIXNFLFAOT-LLVKDONJSA-N	1	0	193.290	3.205	10	30		AGEERO
C=C(C)C[C@H]([NH3+])C[C@@H](C)C(C)(C)C	130882228	573721772	/nfs/dbraw/zinc/72/17/72/573721772.db2.gz	IHTFGKTVOCMNKA-MNOVXSKESA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)C(C)(C)CC	130879919	573721941	/nfs/dbraw/zinc/72/19/41/573721941.db2.gz	RHGGPXJVNDLBKB-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])CCCCCC	130900025	573722087	/nfs/dbraw/zinc/72/20/87/573722087.db2.gz	ZFKTWXWRQFKILH-NSHDSACASA-N	1	0	169.312	3.250	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])C[C@@H](C)C(C)(C)C	130881837	573722987	/nfs/dbraw/zinc/72/29/87/573722987.db2.gz	IHTFGKTVOCMNKA-GHMZBOCLSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)c1ccc(C)o1	130901297	573724292	/nfs/dbraw/zinc/72/42/92/573724292.db2.gz	FUVVEIXNFLFAOT-NSHDSACASA-N	1	0	193.290	3.205	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)c1coc(C)c1	130917101	573726207	/nfs/dbraw/zinc/72/62/07/573726207.db2.gz	DPYCLCUNOWZFBT-LBPRGKRZSA-N	1	0	193.290	3.205	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)C1C(C)(C)C1(C)C	130911485	573728939	/nfs/dbraw/zinc/72/89/39/573728939.db2.gz	YAKAFEYSXHFFDZ-SNVBAGLBSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])C1(CC)CCCC1	130915084	573729225	/nfs/dbraw/zinc/72/92/25/573729225.db2.gz	OPXRQUZUXXOEBH-LLVKDONJSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)c1coc(C)c1	130917290	573729812	/nfs/dbraw/zinc/72/98/12/573729812.db2.gz	DPYCLCUNOWZFBT-GFCCVEGCSA-N	1	0	193.290	3.205	10	30		AGEERO
CC(Nc1ccccc1)=[NH+]C(C)(C)C	238051875	573733460	/nfs/dbraw/zinc/73/34/60/573733460.db2.gz	YTIOOBUZQASLMF-UHFFFAOYSA-N	1	0	190.290	3.315	10	30		AGEERO
CC#CC[NH2+][C@H](C)C[C@H](C)CC(C)C	308661090	573733762	/nfs/dbraw/zinc/73/37/62/573733762.db2.gz	PYHSMVKYYNZEFJ-CHWSQXEVSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@@H]1CCCC2(CC2)C1	715006528	573737829	/nfs/dbraw/zinc/73/78/29/573737829.db2.gz	UWNHXFIRASBLAZ-VXGBXAGGSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CCCC2(CC2)C1	715006523	573737986	/nfs/dbraw/zinc/73/79/86/573737986.db2.gz	UWNHXFIRASBLAZ-RYUDHWBXSA-N	1	0	193.334	3.263	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])CCC1CCCC1	130936637	573737994	/nfs/dbraw/zinc/73/79/94/573737994.db2.gz	MDEBWKDGPBFCDF-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C(C)C1=CC(C)(C)[NH2+]C(C)(C)C1	238072672	573740184	/nfs/dbraw/zinc/74/01/84/573740184.db2.gz	WLZBEKDACODFNA-UHFFFAOYSA-N	1	0	179.307	3.039	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)C1(C)CCCC1	130986426	573760722	/nfs/dbraw/zinc/76/07/22/573760722.db2.gz	DOSXKLXUSSDATB-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CCC)[C@H](C)C1CC1	130987884	573763525	/nfs/dbraw/zinc/76/35/25/573763525.db2.gz	AJSIKGVWTWSORT-YPMHNXCESA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CCC)[C@H](C)C1CC1	130988108	573761040	/nfs/dbraw/zinc/76/10/40/573761040.db2.gz	AJSIKGVWTWSORT-DGCLKSJQSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CCC)[C@@H](C)C1CC1	130987421	573761588	/nfs/dbraw/zinc/76/15/88/573761588.db2.gz	AJSIKGVWTWSORT-AAEUAGOBSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)[C@@H](C)C(C)C	130993697	573762747	/nfs/dbraw/zinc/76/27/47/573762747.db2.gz	KUUMONXQQVSSKZ-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H]1CC[C@H](c2ccccc2)[NH2+]1	238090371	573762922	/nfs/dbraw/zinc/76/29/22/573762922.db2.gz	UBWJFZGQOXLYPE-CHWSQXEVSA-N	1	0	187.286	3.056	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)[C@@H](C)C(C)C	130993480	573763207	/nfs/dbraw/zinc/76/32/07/573763207.db2.gz	KUUMONXQQVSSKZ-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H]1CC[C@@H](c2ccccc2)[NH2+]1	238090260	573764861	/nfs/dbraw/zinc/76/48/61/573764861.db2.gz	UBWJFZGQOXLYPE-OLZOCXBDSA-N	1	0	187.286	3.056	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)[C@H](C)C(C)C	130993898	573766782	/nfs/dbraw/zinc/76/67/82/573766782.db2.gz	KUUMONXQQVSSKZ-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
CCCC[C@H](C)[C@@H](C)[NH2+][C@H](C)CC#N	308713979	573769281	/nfs/dbraw/zinc/76/92/81/573769281.db2.gz	AIADBUUGVCIRCN-QJPTWQEYSA-N	1	0	196.338	3.093	10	30		AGEERO
C=C[C@H](C)C[N@@H+](C)CCCCCC	308435606	573772365	/nfs/dbraw/zinc/77/23/65/573772365.db2.gz	WFFFCYHXNHDNQR-LBPRGKRZSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)CC	308714208	573775882	/nfs/dbraw/zinc/77/58/82/573775882.db2.gz	ANHPVDFHLHNFFS-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
CC#CCCCC[NH2+][C@H](CC)CCC	308735984	573779774	/nfs/dbraw/zinc/77/97/74/573779774.db2.gz	LMGCVMHYELAWCG-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
CC#CCCCC[NH2+][C@@H](CC)CCC	308735987	573779894	/nfs/dbraw/zinc/77/98/94/573779894.db2.gz	LMGCVMHYELAWCG-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CCCC/C(C)=C/CC[NH2+]CC	211831490	573789747	/nfs/dbraw/zinc/78/97/47/573789747.db2.gz	IJBFKHDIBXRQJH-ZRDIBKRKSA-N	1	0	181.323	3.289	10	30		AGEERO
C#C[C@H](C)[NH2+]CC[C@@H](CC)CCCC	308729281	573793087	/nfs/dbraw/zinc/79/30/87/573793087.db2.gz	IHWQZJRKAFNTOA-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@H](C)[NH2+]CC[C@H](CC)CCCC	308729280	573793220	/nfs/dbraw/zinc/79/32/20/573793220.db2.gz	IHWQZJRKAFNTOA-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)[C@H](CC1CCCCC1)[NH2+]C	131237851	573796416	/nfs/dbraw/zinc/79/64/16/573796416.db2.gz	NMALGEHSAYGDHY-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@H]1C=CCCC1	308726400	573796464	/nfs/dbraw/zinc/79/64/64/573796464.db2.gz	GTNRRXAUXLFGDC-STQMWFEESA-N	1	0	193.334	3.430	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+][C@@H]1C=CCCC1	308726391	573796475	/nfs/dbraw/zinc/79/64/75/573796475.db2.gz	GTNRRXAUXLFGDC-CHWSQXEVSA-N	1	0	193.334	3.430	10	30		AGEERO
CC#CCCCC[NH2+]C1(CC)CCC1	308728929	573796678	/nfs/dbraw/zinc/79/66/78/573796678.db2.gz	IFNVUOPVTHANDW-UHFFFAOYSA-N	1	0	193.334	3.102	10	30		AGEERO
C=C(C)[C@H]([NH3+])C[C@H](C)CC(C)(C)C	131234616	573797092	/nfs/dbraw/zinc/79/70/92/573797092.db2.gz	CSQLDPPADFGROR-WDEREUQCSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1CC	308745311	573797769	/nfs/dbraw/zinc/79/77/69/573797769.db2.gz	QYPGOJQHCWHGQV-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH3+])C[C@H](C)CC(C)(C)C	131234188	573797870	/nfs/dbraw/zinc/79/78/70/573797870.db2.gz	CSQLDPPADFGROR-QWRGUYRKSA-N	1	0	183.339	3.352	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1CC	308745307	573797960	/nfs/dbraw/zinc/79/79/60/573797960.db2.gz	QYPGOJQHCWHGQV-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C[C@@H]([NH3+])c1ccc(C(C)(C)C)s1	238124881	573798394	/nfs/dbraw/zinc/79/83/94/573798394.db2.gz	YDZXDFKSKPFRHS-MRVPVSSYSA-N	1	0	195.331	3.231	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@H](CC)CCCC	131246076	573800608	/nfs/dbraw/zinc/80/06/08/573800608.db2.gz	YNSASGYFVHNUIZ-MNOVXSKESA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)[C@@H]([NH3+])CCC1CCCCC1	131269297	573805585	/nfs/dbraw/zinc/80/55/85/573805585.db2.gz	ZMHCMVARSTXQPZ-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)[C@@H](C)C(C)C	131261872	573808526	/nfs/dbraw/zinc/80/85/26/573808526.db2.gz	DPPWWCCNTXCERV-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(C)[C@H]([NH3+])CCC1CCCCC1	131269100	573808943	/nfs/dbraw/zinc/80/89/43/573808943.db2.gz	ZMHCMVARSTXQPZ-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
CC/C(C)=[NH+]\Cc1ccccc1	256207354	573811113	/nfs/dbraw/zinc/81/11/13/573811113.db2.gz	ZWTJPJWVAXMFOJ-BENRWUELSA-N	1	0	161.248	3.058	10	30		AGEERO
C=C(C)[C@@H](CC1CCCC1)[NH2+]CC	131304555	573811597	/nfs/dbraw/zinc/81/15/97/573811597.db2.gz	PFIZVKWMYNCDBX-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@@H]([NH3+])C1(CC(C)C)CCCC1	131296705	573813133	/nfs/dbraw/zinc/81/31/33/573813133.db2.gz	BYSZKJWTLAWNQH-GFCCVEGCSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C[C@H]([NH3+])c1ccc(C(C)(C)C)s1	238124530	573817105	/nfs/dbraw/zinc/81/71/05/573817105.db2.gz	YDZXDFKSKPFRHS-QMMMGPOBSA-N	1	0	195.331	3.231	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)C1(CC)CCCC1	131398163	573827924	/nfs/dbraw/zinc/82/79/24/573827924.db2.gz	MEDWAWXTJIOAIL-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)C1(CC)CCCC1	131398351	573828173	/nfs/dbraw/zinc/82/81/73/573828173.db2.gz	MEDWAWXTJIOAIL-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@H](C[C@@H](C)CC)[NH2+]CCC	131404286	573829205	/nfs/dbraw/zinc/82/92/05/573829205.db2.gz	KEAHXFKBJKHNAQ-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
CC[C@H](C#N)N[C@@H](C)CCCC(C)C	43541042	573833520	/nfs/dbraw/zinc/83/35/20/573833520.db2.gz	UYKSQLLRUGQWPG-NWDGAFQWSA-N	1	0	196.338	3.093	10	30		AGEERO
CC[C@@H](C#N)N[C@@H](C)CCCC(C)C	43541041	573833668	/nfs/dbraw/zinc/83/36/68/573833668.db2.gz	UYKSQLLRUGQWPG-RYUDHWBXSA-N	1	0	196.338	3.093	10	30		AGEERO
CCCCCC[C@H](C)N[C@H](C#N)CC	43541122	573833744	/nfs/dbraw/zinc/83/37/44/573833744.db2.gz	DJPUYKOUJWCQEZ-RYUDHWBXSA-N	1	0	196.338	3.237	10	30		AGEERO
C#CC[NH2+]C(CCC)(CCC)CCC	33853052	573833828	/nfs/dbraw/zinc/83/38/28/573833828.db2.gz	PWBPWDVACUYDGH-UHFFFAOYSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CCC[NH2+]CC(C)(C)C1=CCCC1	308766665	573836295	/nfs/dbraw/zinc/83/62/95/573836295.db2.gz	MSCPSQDBNXJJIB-UHFFFAOYSA-N	1	0	193.334	3.289	10	30		AGEERO
CCCCCC[C@@H](C)N[C@@H](C#N)CC	43541123	573836814	/nfs/dbraw/zinc/83/68/14/573836814.db2.gz	DJPUYKOUJWCQEZ-VXGBXAGGSA-N	1	0	196.338	3.237	10	30		AGEERO
C=C[C@H](C)[NH2+]CC(C)(C)C1=CCCC1	308766452	573836872	/nfs/dbraw/zinc/83/68/72/573836872.db2.gz	LVBZCZGUTUGDNQ-NSHDSACASA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[C@@H]21	308763440	573836939	/nfs/dbraw/zinc/83/69/39/573836939.db2.gz	ZDQVWPUZEATPGX-MROQNXINSA-N	1	0	193.334	3.119	10	30		AGEERO
C=C[C@@H](C)[NH2+]CC(C)(C)C1=CCCC1	308766450	573838108	/nfs/dbraw/zinc/83/81/08/573838108.db2.gz	LVBZCZGUTUGDNQ-LLVKDONJSA-N	1	0	193.334	3.287	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)[C@H](CC)CCCC	131321959	573840975	/nfs/dbraw/zinc/84/09/75/573840975.db2.gz	XMAQRIDYILYUGF-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)[C@@H](CC)CCCC	131322137	573841450	/nfs/dbraw/zinc/84/14/50/573841450.db2.gz	XMAQRIDYILYUGF-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C#CCC[C@H]([NH2+]C)C(C)(C)C(C)(C)C	308759283	573843456	/nfs/dbraw/zinc/84/34/56/573843456.db2.gz	XGAVUFXJRXOEAN-NSHDSACASA-N	1	0	195.350	3.060	10	30		AGEERO
C#CCCC[C@@H]([NH3+])C(C)(C)C(C)(C)C	308760904	573843771	/nfs/dbraw/zinc/84/37/71/573843771.db2.gz	XZIMKKVFLPXONS-LLVKDONJSA-N	1	0	195.350	3.190	10	30		AGEERO
C=C(C)[C@@H](CCC1CCCC1)[NH2+]C	131359460	573845231	/nfs/dbraw/zinc/84/52/31/573845231.db2.gz	BCEKTDMBYZTCES-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)c1coc(C)c1	131332715	573848248	/nfs/dbraw/zinc/84/82/48/573848248.db2.gz	DOHPQTDMJXJZKL-LBPRGKRZSA-N	1	0	193.290	3.205	10	30		AGEERO
CCC/C=[NH+]\C1CCCCC1	101272367	573859479	/nfs/dbraw/zinc/85/94/79/573859479.db2.gz	FHZIRAKRPYIEQD-LUAWRHEFSA-N	1	0	153.269	3.190	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)c1ccccc1CC	131498409	573862529	/nfs/dbraw/zinc/86/25/29/573862529.db2.gz	MTSOEHVUORFUTN-CYBMUJFWSA-N	1	0	189.302	3.086	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)c1ccccc1CC	131498623	573863049	/nfs/dbraw/zinc/86/30/49/573863049.db2.gz	MTSOEHVUORFUTN-ZDUSSCGKSA-N	1	0	189.302	3.086	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)c1ccc(C)o1	131510294	573863215	/nfs/dbraw/zinc/86/32/15/573863215.db2.gz	KKQBGJNGBAWWIY-NSHDSACASA-N	1	0	193.290	3.205	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)[C@H](C)CCC	131509440	573864050	/nfs/dbraw/zinc/86/40/50/573864050.db2.gz	QFBSLULKNUWZPL-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@H]([NH3+])C(CCC)CCC	131437119	573868858	/nfs/dbraw/zinc/86/88/58/573868858.db2.gz	UANZSFFNYLPLPS-NSHDSACASA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(C)CC[C@H]([NH2+]CCC)[C@H]1C[C@H]1C	253312878	573871884	/nfs/dbraw/zinc/87/18/84/573871884.db2.gz	WJJBKOLFSBCCFR-AGIUHOORSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)[C@H](C[C@@H](C)C(C)(C)C)[NH2+]C	131455865	573878801	/nfs/dbraw/zinc/87/88/01/573878801.db2.gz	ICCGPJODPOOYNH-MNOVXSKESA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)C(C)(C)CC	131487381	573880241	/nfs/dbraw/zinc/88/02/41/573880241.db2.gz	VUHRLDMIDOFTRZ-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)C(CC)CC	131474100	573881544	/nfs/dbraw/zinc/88/15/44/573881544.db2.gz	PXNUXHIUXKBGFV-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@@H](C)[NH2+]C(C)(C)CCC	715040338	573881889	/nfs/dbraw/zinc/88/18/89/573881889.db2.gz	RHARJWHXVBJLCX-SNVBAGLBSA-N	1	0	169.312	3.119	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)[C@H](C)CCC	131477925	573882021	/nfs/dbraw/zinc/88/20/21/573882021.db2.gz	AWMKXKABHJUCEB-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)[C@@H](C)CCC	131478143	573882916	/nfs/dbraw/zinc/88/29/16/573882916.db2.gz	AWMKXKABHJUCEB-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CC)c1ccc(C)s1	131470707	573882313	/nfs/dbraw/zinc/88/23/13/573882313.db2.gz	MJVBTZZJLZXHQS-LLVKDONJSA-N	1	0	195.331	3.283	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1sccc1C	131609112	573891936	/nfs/dbraw/zinc/89/19/36/573891936.db2.gz	LAQLYILXDSHZTA-JTQLQIEISA-N	1	0	195.331	3.413	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])C[C@@H](C)CC	131607675	573892170	/nfs/dbraw/zinc/89/21/70/573892170.db2.gz	GFBUMOZTBBLFLE-WDEREUQCSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])C(CC)CC	131627361	573892676	/nfs/dbraw/zinc/89/26/76/573892676.db2.gz	NZQSJLBRKMLWIY-LLVKDONJSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])C1C(C)(C)C1(C)C	131601158	573893099	/nfs/dbraw/zinc/89/30/99/573893099.db2.gz	FCEWPXNHMRVLME-SNVBAGLBSA-N	1	0	195.350	3.352	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C(CC)CC	131627560	573894162	/nfs/dbraw/zinc/89/41/62/573894162.db2.gz	NZQSJLBRKMLWIY-NSHDSACASA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])CC1CCCC1	131609959	573894294	/nfs/dbraw/zinc/89/42/94/573894294.db2.gz	DRVIWWULKLAJAH-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H](C(C)C)C1CCC1	715052939	573896871	/nfs/dbraw/zinc/89/68/71/573896871.db2.gz	JTAFGNZFLAUBLB-WCQYABFASA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H](CC)CC1CC1	715051458	573897183	/nfs/dbraw/zinc/89/71/83/573897183.db2.gz	CFIOUTAOKQSEFR-ZYHUDNBSSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H](CC)CC1CC1	715051431	573899640	/nfs/dbraw/zinc/89/96/40/573899640.db2.gz	CFIOUTAOKQSEFR-CMPLNLGQSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+]C[C@H]1CCCC1(C)C	715052123	573899750	/nfs/dbraw/zinc/89/97/50/573899750.db2.gz	HSMLFKXTZHYZIQ-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H](C(C)C)C1CCC1	715052937	573900015	/nfs/dbraw/zinc/90/00/15/573900015.db2.gz	JTAFGNZFLAUBLB-AAEUAGOBSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CC12CCCCC2	715054431	573903461	/nfs/dbraw/zinc/90/34/61/573903461.db2.gz	RBEUJYCXJKHXNL-RYUDHWBXSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[N@@H+](CC)[C@@H]1CCCC1(C)C	308461667	573903718	/nfs/dbraw/zinc/90/37/18/573903718.db2.gz	HSXGAOWCEUKUQO-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CC)[C@@H](C)C1CC1	131561492	573903787	/nfs/dbraw/zinc/90/37/87/573903787.db2.gz	FJNRYDJHHOXSII-AAEUAGOBSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CC[C@H](C)CC1	715055655	573903806	/nfs/dbraw/zinc/90/38/06/573903806.db2.gz	YBFUUNVILAIBHC-SRVKXCTJSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]CC)[C@@H](C)C1CC1	131561690	573905301	/nfs/dbraw/zinc/90/53/01/573905301.db2.gz	FJNRYDJHHOXSII-WCQYABFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H]1CC[C@H](C)CC1	715055651	573905989	/nfs/dbraw/zinc/90/59/89/573905989.db2.gz	YBFUUNVILAIBHC-IJLUTSLNSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]C)[C@H](C)C(C)C	131564790	573905933	/nfs/dbraw/zinc/90/59/33/573905933.db2.gz	DXCCTJKKNHFCHF-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@H](C)CCC	131573689	573905942	/nfs/dbraw/zinc/90/59/42/573905942.db2.gz	WGBFQHTUTFYSSC-MNOVXSKESA-N	1	0	169.312	3.106	10	30		AGEERO
C=CC[C@H]([NH3+])c1c(C)cc(C)cc1F	235796397	573909309	/nfs/dbraw/zinc/90/93/09/573909309.db2.gz	FIAVSJYFSDPQSJ-NSHDSACASA-N	1	0	193.265	3.018	10	30		AGEERO
C=C[C@@H](CCC1CCCC1)[NH2+]CC	130597814	573909708	/nfs/dbraw/zinc/90/97/08/573909708.db2.gz	QULICKVGIFTFPS-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1[C@@H](C)CCC	308462570	573912198	/nfs/dbraw/zinc/91/21/98/573912198.db2.gz	HZPLOKSAKLHDNQ-RYUDHWBXSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CC[C@@H]([NH3+])c1c(C)cc(C)cc1F	235802381	573915839	/nfs/dbraw/zinc/91/58/39/573915839.db2.gz	FIAVSJYFSDPQSJ-LLVKDONJSA-N	1	0	193.265	3.018	10	30		AGEERO
C=CCC[NH2+]CC1CCC(C)(C)CC1	308464709	573926262	/nfs/dbraw/zinc/92/62/62/573926262.db2.gz	FTENKNKFONTJPB-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C[C@H]([NH3+])c1ccc2ccccc2c1C	238551020	573926291	/nfs/dbraw/zinc/92/62/91/573926291.db2.gz	HWVUTHHYOOUPKZ-AWEZNQCLSA-N	1	0	197.281	3.334	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1C=CCCCCC1	308464338	573929002	/nfs/dbraw/zinc/92/90/02/573929002.db2.gz	VJJGNSAIIAJUOF-QWHCGFSZSA-N	1	0	193.334	3.430	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1C=CCCCCC1	308464339	573929709	/nfs/dbraw/zinc/92/97/09/573929709.db2.gz	VJJGNSAIIAJUOF-STQMWFEESA-N	1	0	193.334	3.430	10	30		AGEERO
C=C[C@@](C)([NH3+])c1ccc2ccccc2c1	78247581	573930715	/nfs/dbraw/zinc/93/07/15/573930715.db2.gz	BEVVFVATGOCOQB-CQSZACIVSA-N	1	0	197.281	3.200	10	30		AGEERO
CC#CC[C@](C)(CC)C[NH2+]C(C)(C)C	317627623	573930950	/nfs/dbraw/zinc/93/09/50/573930950.db2.gz	BYCQJVHIFLREDZ-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C[C@](C)([NH3+])c1ccc2ccccc2c1	78247583	573930975	/nfs/dbraw/zinc/93/09/75/573930975.db2.gz	BEVVFVATGOCOQB-AWEZNQCLSA-N	1	0	197.281	3.200	10	30		AGEERO
CC#CC[C@@](C)(CC)C[NH2+]C(C)(C)C	317627622	573931081	/nfs/dbraw/zinc/93/10/81/573931081.db2.gz	BYCQJVHIFLREDZ-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H]([NH3+])C[C@H](C)CC(C)(C)C	127741695	573932666	/nfs/dbraw/zinc/93/26/66/573932666.db2.gz	RWQUSGPOJLTPJZ-NWDGAFQWSA-N	1	0	195.350	3.190	10	30		AGEERO
C#CCC[C@H]([NH3+])CCC1CCCCC1	127772532	573935721	/nfs/dbraw/zinc/93/57/21/573935721.db2.gz	ROJOATJXKBUELJ-ZDUSSCGKSA-N	1	0	193.334	3.088	10	30		AGEERO
C#CCC[C@@H]([NH2+]CCC)[C@@H](C)C(C)C	127767294	573935867	/nfs/dbraw/zinc/93/58/67/573935867.db2.gz	XAPKBDFJEAMGGY-QWHCGFSZSA-N	1	0	195.350	3.060	10	30		AGEERO
C#CCC[C@H]([NH2+]C)C(CCC)CCC	127771838	573936042	/nfs/dbraw/zinc/93/60/42/573936042.db2.gz	ZWBKTXPDSRQBGA-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)C[N@H+](C1CC1)[C@H](C)CCC	308469178	573938199	/nfs/dbraw/zinc/93/81/99/573938199.db2.gz	JYYKHCBLJKGWDG-LLVKDONJSA-N	1	0	181.323	3.216	10	30		AGEERO
C#CCC[C@@H](CCCCCC)[NH2+]CC	127780279	573944297	/nfs/dbraw/zinc/94/42/97/573944297.db2.gz	WHUHWYBNMPWYIT-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CCCC[C@@H]([NH3+])CCC=C(C)C	35923603	573956146	/nfs/dbraw/zinc/95/61/46/573956146.db2.gz	NKAWMTDRJKZNFK-GFCCVEGCSA-N	1	0	181.323	3.416	10	30		AGEERO
CCCC[C@@H](CC)CN(C)[C@@H](C)C#N	45144383	573956371	/nfs/dbraw/zinc/95/63/71/573956371.db2.gz	WDVPAGRXZAFSSP-NWDGAFQWSA-N	1	0	196.338	3.047	10	30		AGEERO
C#CCC[C@H](CCCCC)[NH2+]CCC	127897177	573964437	/nfs/dbraw/zinc/96/44/37/573964437.db2.gz	HFAMQRGEWIUVHT-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
CCC(CC)C[N@H+](CC)[C@H](C)CC#N	42487743	573966544	/nfs/dbraw/zinc/96/65/44/573966544.db2.gz	UFKFAFUGNCZWLJ-LLVKDONJSA-N	1	0	196.338	3.047	10	30		AGEERO
C#CCC[C@H](C[C@H](C)CC)[NH2+]CCC	127892826	573966582	/nfs/dbraw/zinc/96/65/82/573966582.db2.gz	GZFQXCSMDBXNDJ-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H](C[C@H](C)CC)[NH2+]CCC	127892612	573966846	/nfs/dbraw/zinc/96/68/46/573966846.db2.gz	GZFQXCSMDBXNDJ-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
CCCCC[N@H+](C[C@@H](C)C#N)C(C)C	42556902	573968859	/nfs/dbraw/zinc/96/88/59/573968859.db2.gz	SOOTXCBECKKDHC-LBPRGKRZSA-N	1	0	196.338	3.047	10	30		AGEERO
CCC(CC)C[N@H+](CC)[C@@H](C)CC#N	42487742	573968322	/nfs/dbraw/zinc/96/83/22/573968322.db2.gz	UFKFAFUGNCZWLJ-NSHDSACASA-N	1	0	196.338	3.047	10	30		AGEERO
C=CCCC/C(C)=C/CC[NH2+]C1CC1	211787083	573969100	/nfs/dbraw/zinc/96/91/00/573969100.db2.gz	OGZKGYSGZFUAIE-XYOKQWHBSA-N	1	0	193.334	3.431	10	30		AGEERO
CCCCC[N@H+](C[C@H](C)C#N)C(C)C	42556905	573968764	/nfs/dbraw/zinc/96/87/64/573968764.db2.gz	SOOTXCBECKKDHC-GFCCVEGCSA-N	1	0	196.338	3.047	10	30		AGEERO
CCCCC[N@H+](C(C)C)[C@@H](C)CC#N	42556950	573968873	/nfs/dbraw/zinc/96/88/73/573968873.db2.gz	PRFGRROSHZBJKR-LBPRGKRZSA-N	1	0	196.338	3.189	10	30		AGEERO
CCCCC[N@H+](C(C)C)[C@H](C)CC#N	42556953	573968994	/nfs/dbraw/zinc/96/89/94/573968994.db2.gz	PRFGRROSHZBJKR-GFCCVEGCSA-N	1	0	196.338	3.189	10	30		AGEERO
C#CCC[C@H]([NH2+]C)[C@H](CC)CCCC	127821011	573972054	/nfs/dbraw/zinc/97/20/54/573972054.db2.gz	HVXDHAQDHZRCPQ-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H]([NH2+]C)[C@H](CC)CCCC	127820579	573973695	/nfs/dbraw/zinc/97/36/95/573973695.db2.gz	HVXDHAQDHZRCPQ-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H]([NH2+]C)[C@@H](CC)CCCC	127820803	573973729	/nfs/dbraw/zinc/97/37/29/573973729.db2.gz	HVXDHAQDHZRCPQ-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@H]([NH2+]C)[C@@H](CC)CCCC	127821258	573974589	/nfs/dbraw/zinc/97/45/89/573974589.db2.gz	HVXDHAQDHZRCPQ-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H]([NH2+]CCC)C(CC)CC	127953382	573980425	/nfs/dbraw/zinc/98/04/25/573980425.db2.gz	TXKQFDCVBSJKDP-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H]([NH2+]CCC)C(C)(C)CC	127964899	573980561	/nfs/dbraw/zinc/98/05/61/573980561.db2.gz	VONXHLZBGIPPOH-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
CC(C)C[C@H](C)[N@H+](C)CCCCC#N	42582623	573981146	/nfs/dbraw/zinc/98/11/46/573981146.db2.gz	ZUKTYBDRICKENN-LBPRGKRZSA-N	1	0	196.338	3.047	10	30		AGEERO
C#CCC[C@H]([NH2+]CCC)[C@H](C)CCC	127956805	573981284	/nfs/dbraw/zinc/98/12/84/573981284.db2.gz	DQYMQHFDJMJICG-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@H]([NH2+]CCC)C(C)(C)CC	127964633	573981386	/nfs/dbraw/zinc/98/13/86/573981386.db2.gz	VONXHLZBGIPPOH-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
CC[C@@H](CC#N)[N@H+](C)[C@@H](C)CC(C)C	42582523	573981545	/nfs/dbraw/zinc/98/15/45/573981545.db2.gz	JZIOQEMQHMDGJY-RYUDHWBXSA-N	1	0	196.338	3.045	10	30		AGEERO
C#CCC[C@@H](CCCCCCC)[NH2+]C	127952876	573981644	/nfs/dbraw/zinc/98/16/44/573981644.db2.gz	ISBAHEBYNHEQRA-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
C#CCC[C@H](CCCCCCC)[NH2+]C	127952655	573981758	/nfs/dbraw/zinc/98/17/58/573981758.db2.gz	ISBAHEBYNHEQRA-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C#CCC[C@H]([NH2+]CCC)C(CC)CC	127953158	573982259	/nfs/dbraw/zinc/98/22/59/573982259.db2.gz	TXKQFDCVBSJKDP-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@H]([NH2+]CCC)[C@@H](C)CCC	127957042	573982429	/nfs/dbraw/zinc/98/24/29/573982429.db2.gz	DQYMQHFDJMJICG-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H]([NH2+]CCC)[C@H](C)CCC	127956344	573982676	/nfs/dbraw/zinc/98/26/76/573982676.db2.gz	DQYMQHFDJMJICG-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H]([NH2+]CCC)[C@@H](C)CCC	127956571	573982788	/nfs/dbraw/zinc/98/27/88/573982788.db2.gz	DQYMQHFDJMJICG-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
CC[C@@H](CC#N)[N@H+](CC(C)C)C(C)C	42582765	573983142	/nfs/dbraw/zinc/98/31/42/573983142.db2.gz	IAPFGFBNFRNQDL-LBPRGKRZSA-N	1	0	196.338	3.045	10	30		AGEERO
C#CCC[C@@H]([NH3+])CC1CCCCCC1	127941086	573996436	/nfs/dbraw/zinc/99/64/36/573996436.db2.gz	GJNCVGOOAJSVQF-CYBMUJFWSA-N	1	0	193.334	3.088	10	30		AGEERO
C=C[C@@H]([NH3+])c1c(Cl)cccc1CC	104473015	573996480	/nfs/dbraw/zinc/99/64/80/573996480.db2.gz	HPBRXDQIYTVUIF-SNVBAGLBSA-N	1	0	195.693	3.088	10	30		AGEERO
C#CCC[C@H]([NH3+])CC1CCCCCC1	127940871	573997337	/nfs/dbraw/zinc/99/73/37/573997337.db2.gz	GJNCVGOOAJSVQF-ZDUSSCGKSA-N	1	0	193.334	3.088	10	30		AGEERO
C#CCC[C@H](C[C@H](C)C(C)(C)C)[NH2+]C	127935835	573998491	/nfs/dbraw/zinc/99/84/91/573998491.db2.gz	GNFZZFAMTLDYKO-NWDGAFQWSA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(C)[C@@H]([NH3+])C1CCCCCCC1	87690290	574017338	/nfs/dbraw/zinc/01/73/38/574017338.db2.gz	PTCFKXIHCKHRSY-GFCCVEGCSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CC[C@H]([NH2+][C@H](C)CC=C)C(C)C	35940071	574023186	/nfs/dbraw/zinc/02/31/86/574023186.db2.gz	JDDWAVREAOMDRX-NEPJUHHUSA-N	1	0	181.323	3.141	10	30		AGEERO
CC(C)CCC[C@H](C)[NH2+][C@H](C)CC#N	42589709	574024311	/nfs/dbraw/zinc/02/43/11/574024311.db2.gz	YNMIAMGRZDRUPO-NWDGAFQWSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H](CC=C)C(C)C	35940070	574024530	/nfs/dbraw/zinc/02/45/30/574024530.db2.gz	JDDWAVREAOMDRX-VXGBXAGGSA-N	1	0	181.323	3.141	10	30		AGEERO
CCCCCC[C@@H](C)[NH2+][C@H](C)CC#N	49202677	574025703	/nfs/dbraw/zinc/02/57/03/574025703.db2.gz	ZPLQXGAKYXUSDX-VXGBXAGGSA-N	1	0	196.338	3.237	10	30		AGEERO
CC(C)CCC[C@H](C)[NH2+][C@@H](C)CC#N	42589703	574026072	/nfs/dbraw/zinc/02/60/72/574026072.db2.gz	YNMIAMGRZDRUPO-RYUDHWBXSA-N	1	0	196.338	3.093	10	30		AGEERO
CCCCCC[C@H](C)[NH2+][C@H](C)CC#N	49202682	574026713	/nfs/dbraw/zinc/02/67/13/574026713.db2.gz	ZPLQXGAKYXUSDX-NWDGAFQWSA-N	1	0	196.338	3.237	10	30		AGEERO
CCCCCC[C@@H](C)[NH2+][C@@H](C)CC#N	49202669	574026754	/nfs/dbraw/zinc/02/67/54/574026754.db2.gz	ZPLQXGAKYXUSDX-NEPJUHHUSA-N	1	0	196.338	3.237	10	30		AGEERO
C#CCC[NH2+][C@H](C)CCCCCCC	112093459	574031103	/nfs/dbraw/zinc/03/11/03/574031103.db2.gz	RDFQKKSIVMTZMM-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C=CC[C@H](CC)[NH2+]C[C@@]1(C)CC1(C)C	717000904	574046380	/nfs/dbraw/zinc/04/63/80/574046380.db2.gz	TXLLCADDQFNXFW-WCQYABFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](CC)[NH2+]C[C@]1(C)CC1(C)C	717000908	574046521	/nfs/dbraw/zinc/04/65/21/574046521.db2.gz	TXLLCADDQFNXFW-YPMHNXCESA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[N@@H+](C)[C@H](C)C1CCCCC1	669944806	486736391	/nfs/dbraw/zinc/73/63/91/486736391.db2.gz	AXALQORWHWBXOZ-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+](C)C[C@@H](C)C(C)(C)C	670268405	486738130	/nfs/dbraw/zinc/73/81/30/486738130.db2.gz	BMVYJJKDIHIBHI-LLVKDONJSA-N	1	0	183.339	3.177	10	30		AGEERO
C=C(C)C[N@@H+](C)C[C@H](C)C(C)(C)C	670268406	486738451	/nfs/dbraw/zinc/73/84/51/486738451.db2.gz	BMVYJJKDIHIBHI-NSHDSACASA-N	1	0	183.339	3.177	10	30		AGEERO
C=C1CC[NH+](C[C@@H](C)C(C)(C)C)CC1	670263576	486738492	/nfs/dbraw/zinc/73/84/92/486738492.db2.gz	AKYINFSSBNKNHV-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C1CC[NH+](C[C@H](C)C(C)(C)C)CC1	670263577	486738639	/nfs/dbraw/zinc/73/86/39/486738639.db2.gz	AKYINFSSBNKNHV-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1CCCCCF	671243805	486744964	/nfs/dbraw/zinc/74/49/64/486744964.db2.gz	BYQSARUOZRDCNC-LBPRGKRZSA-N	1	0	199.313	3.167	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1CCCCCF	671243804	486745289	/nfs/dbraw/zinc/74/52/89/486745289.db2.gz	BYQSARUOZRDCNC-GFCCVEGCSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CC[N@@H+](C)C(C)(C)c1ccccc1	671245540	486745371	/nfs/dbraw/zinc/74/53/71/486745371.db2.gz	DSQNBZWVQPDBAT-UHFFFAOYSA-N	1	0	189.302	3.040	10	30		AGEERO
C=CCC[N@@H+](C)CC(C(C)C)C(C)C	671307649	486747095	/nfs/dbraw/zinc/74/70/95/486747095.db2.gz	AAUYXPPDPZOETN-UHFFFAOYSA-N	1	0	197.366	3.423	10	30		AGEERO
C=C(C)CCOc1cc(C)[nH+]c(C)c1	671655196	486751621	/nfs/dbraw/zinc/75/16/21/486751621.db2.gz	WWVZDDYBGNPSDK-UHFFFAOYSA-N	1	0	191.274	3.043	10	30		AGEERO
C=C(C)CC[NH+]1CCC2(CCC2)CC1	671728374	486755972	/nfs/dbraw/zinc/75/59/72/486755972.db2.gz	JEPVUNCBJZZWQA-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=CCCC[NH2+]C1CCC(C)CC1	70591364	486785605	/nfs/dbraw/zinc/78/56/05/486785605.db2.gz	MZRCCXWGMXFPPM-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC[C@@H](C)C1	70591564	486785627	/nfs/dbraw/zinc/78/56/27/486785627.db2.gz	TYGODNUSDGKANL-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@H](C)c1ccc(C)o1	70591816	486785634	/nfs/dbraw/zinc/78/56/34/486785634.db2.gz	UCCRJKLDDZKGRJ-LLVKDONJSA-N	1	0	193.290	3.205	10	30		AGEERO
C=CCCC[NH2+]CC1CCCCC1	70591569	486785652	/nfs/dbraw/zinc/78/56/52/486785652.db2.gz	ZNPNPMDNGMTJRX-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=CCCC[NH2+]Cc1cccc(C)c1	70591714	486785719	/nfs/dbraw/zinc/78/57/19/486785719.db2.gz	UEKNKQHKGWCHFL-UHFFFAOYSA-N	1	0	189.302	3.051	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC[C@H](C)C1	70591563	486785737	/nfs/dbraw/zinc/78/57/37/486785737.db2.gz	TYGODNUSDGKANL-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H](C)c1ccc(C)o1	70591817	486785746	/nfs/dbraw/zinc/78/57/46/486785746.db2.gz	UCCRJKLDDZKGRJ-NSHDSACASA-N	1	0	193.290	3.205	10	30		AGEERO
C=CCCC[NH2+]Cc1ccc(C)cc1	70591440	486785783	/nfs/dbraw/zinc/78/57/83/486785783.db2.gz	GSPXQAVGLXEOBZ-UHFFFAOYSA-N	1	0	189.302	3.051	10	30		AGEERO
C=CCCC[NH2+]Cc1ccccc1C	70591712	486785838	/nfs/dbraw/zinc/78/58/38/486785838.db2.gz	VKWNGXHPOUSQAE-UHFFFAOYSA-N	1	0	189.302	3.051	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC[C@H](C)C1	70591565	486785885	/nfs/dbraw/zinc/78/58/85/486785885.db2.gz	TYGODNUSDGKANL-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+]C1CCCCCC1	70591541	486785942	/nfs/dbraw/zinc/78/59/42/486785942.db2.gz	MQKDVDQSEWIMLQ-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC[C@@H](C)C1	70591562	486786055	/nfs/dbraw/zinc/78/60/55/486786055.db2.gz	TYGODNUSDGKANL-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+]C[C@H]1CCCC[C@H]1C	70592077	486786635	/nfs/dbraw/zinc/78/66/35/486786635.db2.gz	IHWLMNUAPDHTPM-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+][C@@H](C)CCC(C)C	70592470	486786654	/nfs/dbraw/zinc/78/66/54/486786654.db2.gz	AQRIXVDZCRQVIL-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[NH2+]C[C@H]1CCCC[C@@H]1C	70592078	486786701	/nfs/dbraw/zinc/78/67/01/486786701.db2.gz	IHWLMNUAPDHTPM-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+][C@@H](CC)CCC	70592216	486786771	/nfs/dbraw/zinc/78/67/71/486786771.db2.gz	APSIJVFEJZJBNF-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCC[NH2+]C[C@@H]1CCCC[C@@H]1C	70592080	486786849	/nfs/dbraw/zinc/78/68/49/486786849.db2.gz	IHWLMNUAPDHTPM-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+]C[C@@H]1CCCC[C@H]1C	70592079	486786853	/nfs/dbraw/zinc/78/68/53/486786853.db2.gz	IHWLMNUAPDHTPM-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+]CC1CCC(C)CC1	70592394	486786888	/nfs/dbraw/zinc/78/68/88/486786888.db2.gz	KHPTZAYETXDQEJ-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+][C@H](C)CCC(C)C	70592469	486786940	/nfs/dbraw/zinc/78/69/40/486786940.db2.gz	AQRIXVDZCRQVIL-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[NH2+]Cc1ccc(C)s1	70592200	486787013	/nfs/dbraw/zinc/78/70/13/486787013.db2.gz	BTABIFVVRQIWNN-UHFFFAOYSA-N	1	0	195.331	3.112	10	30		AGEERO
C=CCCC[NH2+][C@H](CC)CCC	70592215	486787022	/nfs/dbraw/zinc/78/70/22/486787022.db2.gz	APSIJVFEJZJBNF-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCC[NH+]1C[C@@H]2CCCC[C@H]2C1	674252259	486790952	/nfs/dbraw/zinc/79/09/52/486790952.db2.gz	MBKACQVMCFVEBR-STQMWFEESA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCCC[NH+]1C[C@H]2CCCC[C@@H]2C1	674252258	486790986	/nfs/dbraw/zinc/79/09/86/486790986.db2.gz	MBKACQVMCFVEBR-CHWSQXEVSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[N@@H+]1CCC[C@H]1c1ccccc1	79643786	486803175	/nfs/dbraw/zinc/80/31/75/486803175.db2.gz	FWIUZFABBRRKTH-ZDUSSCGKSA-N	1	0	187.286	3.010	10	30		AGEERO
C=CC[N@@H+]1CCC[C@@H]1c1ccccc1	79643784	486803216	/nfs/dbraw/zinc/80/32/16/486803216.db2.gz	FWIUZFABBRRKTH-CYBMUJFWSA-N	1	0	187.286	3.010	10	30		AGEERO
C=CCC[N@@H+](C)C1CCC(C)(C)CC1	674871503	486820487	/nfs/dbraw/zinc/82/04/87/486820487.db2.gz	DISLSHGCKXHFPF-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[N@H+]1CCC[C@H](CCC)C1	675125354	486827318	/nfs/dbraw/zinc/82/73/18/486827318.db2.gz	DBUWOXHZSGPZTD-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCC[N@H+]1CCC[C@@H](CCC)C1	675125353	486828251	/nfs/dbraw/zinc/82/82/51/486828251.db2.gz	DBUWOXHZSGPZTD-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H](CC(C)C)C1	675249469	486832624	/nfs/dbraw/zinc/83/26/24/486832624.db2.gz	DWBYEOVZJTXPIQ-CYBMUJFWSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H](CC(C)C)C1	675249470	486832948	/nfs/dbraw/zinc/83/29/48/486832948.db2.gz	DWBYEOVZJTXPIQ-ZDUSSCGKSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[NH+]1CCC(CCC(C)C)CC1	675319380	486834965	/nfs/dbraw/zinc/83/49/65/486834965.db2.gz	AOPKNHOZXKJHEX-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@H](CC)CC1	83434998	486835620	/nfs/dbraw/zinc/83/56/20/486835620.db2.gz	SSTIWTILQODKFL-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[NH2+][C@H]1CCCC(C)(C)CC1	83434999	486835670	/nfs/dbraw/zinc/83/56/70/486835670.db2.gz	VTLKHHMZGMLLNK-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[NH2+][C@@H]1CCCC(C)(C)CC1	83435000	486835680	/nfs/dbraw/zinc/83/56/80/486835680.db2.gz	VTLKHHMZGMLLNK-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[NH2+][C@H]1CCC[C@@H](CC)CC1	83434995	486835728	/nfs/dbraw/zinc/83/57/28/486835728.db2.gz	SSTIWTILQODKFL-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[NH2+][C@H]1CCC[C@H](CC)CC1	83434996	486835768	/nfs/dbraw/zinc/83/57/68/486835768.db2.gz	SSTIWTILQODKFL-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@@H](CC)CC1	83434997	486835844	/nfs/dbraw/zinc/83/58/44/486835844.db2.gz	SSTIWTILQODKFL-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
CC#CC[N@H+](CC(C)C)CC(C)(C)C	675552117	486843805	/nfs/dbraw/zinc/84/38/05/486843805.db2.gz	GOPPJPHJJPVTPK-UHFFFAOYSA-N	1	0	195.350	3.014	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H]1CCC(C)C	676041465	486854467	/nfs/dbraw/zinc/85/44/67/486854467.db2.gz	HLGCFQQWRRVFAP-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H]1CCC(C)C	676041466	486854706	/nfs/dbraw/zinc/85/47/06/486854706.db2.gz	HLGCFQQWRRVFAP-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H]1C(C)(C)CC	676744141	486870455	/nfs/dbraw/zinc/87/04/55/486870455.db2.gz	YRRXNXQHTPSTOI-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H]1C(C)(C)CC	676744140	486870646	/nfs/dbraw/zinc/87/06/46/486870646.db2.gz	YRRXNXQHTPSTOI-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@@H+]1CCC[C@H](C2CC2)C1	677018512	486875341	/nfs/dbraw/zinc/87/53/41/486875341.db2.gz	FMOZBOFULDKUMT-ZDUSSCGKSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)CC[N@@H+]1CCC[C@@H](C2CC2)C1	677018503	486875481	/nfs/dbraw/zinc/87/54/81/486875481.db2.gz	FMOZBOFULDKUMT-CYBMUJFWSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(CC)C[N@@H+]1CCC[C@@H](C2CC2)C1	677061602	486877895	/nfs/dbraw/zinc/87/78/95/486877895.db2.gz	GCKRIOSCLLTADF-CYBMUJFWSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(CC)C[N@@H+]1CCC[C@H](C2CC2)C1	677061603	486878471	/nfs/dbraw/zinc/87/84/71/486878471.db2.gz	GCKRIOSCLLTADF-ZDUSSCGKSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[NH+]1CCC(C)(CC(C)C)CC1	677155083	486880647	/nfs/dbraw/zinc/88/06/47/486880647.db2.gz	BXMWNOYVDYUJFN-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCC[N@H+]1CC=C(C(C)(C)C)CC1	677560893	486888958	/nfs/dbraw/zinc/88/89/58/486888958.db2.gz	BHAJYNMYKXYMOO-UHFFFAOYSA-N	1	0	193.334	3.241	10	30		AGEERO
C=C(C)C[N@@H+]1CCCC12CCCCC2	677568756	486889963	/nfs/dbraw/zinc/88/99/63/486889963.db2.gz	DOZZADHKYMZJHS-UHFFFAOYSA-N	1	0	193.334	3.361	10	30		AGEERO
C=CCC[N@@H+]1CCCC12CCCCC2	677568904	486889979	/nfs/dbraw/zinc/88/99/79/486889979.db2.gz	HDWQJBGBGXWUDY-UHFFFAOYSA-N	1	0	193.334	3.361	10	30		AGEERO
C=CC[NH+](CC=C)C[C@H]1CC=CCC1	678120326	486917381	/nfs/dbraw/zinc/91/73/81/486917381.db2.gz	GYYILVULAVEEMU-ZDUSSCGKSA-N	1	0	191.318	3.017	10	30		AGEERO
C=CC[NH+](CC=C)C[C@@H]1CC=CCC1	678120325	486918176	/nfs/dbraw/zinc/91/81/76/486918176.db2.gz	GYYILVULAVEEMU-CYBMUJFWSA-N	1	0	191.318	3.017	10	30		AGEERO
C=CCCC[N@@H+](C)CC(CC)CC	678275253	486931137	/nfs/dbraw/zinc/93/11/37/486931137.db2.gz	PLAMAQRNRFLJAG-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=C(C)C[N@H+]1CC[C@H](C)C2(CCC2)C1	678468886	486936160	/nfs/dbraw/zinc/93/61/60/486936160.db2.gz	AMMVEJAWVDOVJE-LBPRGKRZSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@H+]1CC[C@@H](C)C2(CCC2)C1	678468885	486936448	/nfs/dbraw/zinc/93/64/48/486936448.db2.gz	AMMVEJAWVDOVJE-GFCCVEGCSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[N@H+](CCC1CCCC1)C1CC1	678537086	486939533	/nfs/dbraw/zinc/93/95/33/486939533.db2.gz	BHQYXEQFSGKGHQ-UHFFFAOYSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CC[N@@H+](CCC(C)(C)CC)C1CC1	678537135	486939604	/nfs/dbraw/zinc/93/96/04/486939604.db2.gz	JNHDTBAIILROJH-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@@H+]1CCC[C@@H]1C1CCC1	678623488	486940591	/nfs/dbraw/zinc/94/05/91/486940591.db2.gz	FYKYFWMKALULMR-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(CC)C[N@@H+]1CCC[C@H]1C1CCC1	678623489	486940654	/nfs/dbraw/zinc/94/06/54/486940654.db2.gz	FYKYFWMKALULMR-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(CC)C[N@H+](CCC(C)C)C1CC1	678622742	486940841	/nfs/dbraw/zinc/94/08/41/486940841.db2.gz	DQMOBOREGUUDDS-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@H+](C)C1CCC(C)CC1	678622536	486940946	/nfs/dbraw/zinc/94/09/46/486940946.db2.gz	AHXMPLHISNXFLS-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(CC)C[N@H+]1CCC[C@@H](CCC)C1	678624525	486941737	/nfs/dbraw/zinc/94/17/37/486941737.db2.gz	BLZLEPXKVZOFFK-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(CC)C[NH+]1C[C@@H]2CCCC[C@H]2C1	678625185	486941853	/nfs/dbraw/zinc/94/18/53/486941853.db2.gz	OVPCYTTVIPIJKV-STQMWFEESA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(CC)C[NH+]1C[C@H]2CCCC[C@@H]2C1	678625184	486941858	/nfs/dbraw/zinc/94/18/58/486941858.db2.gz	OVPCYTTVIPIJKV-CHWSQXEVSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(CC)C[N@H+]1CCC[C@H](CCC)C1	678624526	486941909	/nfs/dbraw/zinc/94/19/09/486941909.db2.gz	BLZLEPXKVZOFFK-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CCC[C@@H](C)C1	678714491	486942970	/nfs/dbraw/zinc/94/29/70/486942970.db2.gz	DJJWAQUUKDYSMR-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1	678714490	486943231	/nfs/dbraw/zinc/94/32/31/486943231.db2.gz	DJJWAQUUKDYSMR-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CCC[C@H](C)C1	678714492	486943326	/nfs/dbraw/zinc/94/33/26/486943326.db2.gz	DJJWAQUUKDYSMR-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CCC[C@H](C)C1	678714494	486943639	/nfs/dbraw/zinc/94/36/39/486943639.db2.gz	DJJWAQUUKDYSMR-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](CC)C1	678716357	486943998	/nfs/dbraw/zinc/94/39/98/486943998.db2.gz	RQLZBAULXFQZTN-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@@H](C)[NH+]1C2CCC1CC2	678714829	486944088	/nfs/dbraw/zinc/94/40/88/486944088.db2.gz	RSBYPQMTHSZROK-PNESKVBLSA-N	1	0	193.334	3.358	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@H]1C	678715850	486944243	/nfs/dbraw/zinc/94/42/43/486944243.db2.gz	GEGUPRRMBISNPJ-FRRDWIJNSA-N	1	0	195.350	3.462	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@H]1C	678715851	486944261	/nfs/dbraw/zinc/94/42/61/486944261.db2.gz	GEGUPRRMBISNPJ-RWMBFGLXSA-N	1	0	195.350	3.462	10	30		AGEERO
C=CCCC[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1	678715680	486944367	/nfs/dbraw/zinc/94/43/67/486944367.db2.gz	BZAVOHZIPCFWMZ-XQQFMLRXSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CCC(C)(C)C1	678716708	486944390	/nfs/dbraw/zinc/94/43/90/486944390.db2.gz	YWGDGROGFSDBMT-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@H](C)[NH+]1C[C@H](C)[C@@H](C)C1	678715677	486944473	/nfs/dbraw/zinc/94/44/73/486944473.db2.gz	BZAVOHZIPCFWMZ-AVGNSLFASA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@@H](CC)C1	678716359	486944510	/nfs/dbraw/zinc/94/45/10/486944510.db2.gz	RQLZBAULXFQZTN-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@@H](C)[NH+]1CCC(=C)CC1	678716792	486944515	/nfs/dbraw/zinc/94/45/15/486944515.db2.gz	OHILTNUHTZVGJF-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]1C	678715849	486944556	/nfs/dbraw/zinc/94/45/56/486944556.db2.gz	GEGUPRRMBISNPJ-AVGNSLFASA-N	1	0	195.350	3.462	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@H](CC)C1	678716360	486944542	/nfs/dbraw/zinc/94/45/42/486944542.db2.gz	RQLZBAULXFQZTN-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]1C	678715848	486944629	/nfs/dbraw/zinc/94/46/29/486944629.db2.gz	GEGUPRRMBISNPJ-AGIUHOORSA-N	1	0	195.350	3.462	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CC[C@H](CC)C1	678716358	486944650	/nfs/dbraw/zinc/94/46/50/486944650.db2.gz	RQLZBAULXFQZTN-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@H](C)[NH+]1C2CCC1CC2	678714828	486944673	/nfs/dbraw/zinc/94/46/73/486944673.db2.gz	RSBYPQMTHSZROK-HIFPTAJRSA-N	1	0	193.334	3.358	10	30		AGEERO
C=CCCC[C@@H](C)[NH+]1CCC(C)CC1	678714920	486944724	/nfs/dbraw/zinc/94/47/24/486944724.db2.gz	ZBQXDAXLXFYJJC-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@H](C)[NH+]1CCC(=C)CC1	678716793	486944730	/nfs/dbraw/zinc/94/47/30/486944730.db2.gz	OHILTNUHTZVGJF-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CCC(C)(C)C1	678716707	486944796	/nfs/dbraw/zinc/94/47/96/486944796.db2.gz	YWGDGROGFSDBMT-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@H](C)[NH+]1CCC(C)CC1	678714923	486944805	/nfs/dbraw/zinc/94/48/05/486944805.db2.gz	ZBQXDAXLXFYJJC-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@H](C)[NH+]1C[C@@H](C)[C@H](C)C1	678715679	486944813	/nfs/dbraw/zinc/94/48/13/486944813.db2.gz	BZAVOHZIPCFWMZ-UPJWGTAASA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[C@@H](C)[N@H+]1C[C@@H](C)[C@@H](C)C1	678715678	486944843	/nfs/dbraw/zinc/94/48/43/486944843.db2.gz	BZAVOHZIPCFWMZ-FRRDWIJNSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[C@H](C)[N@H+](C)CCC1CC1	678718860	486945479	/nfs/dbraw/zinc/94/54/79/486945479.db2.gz	NXPXXXFSSVIBFX-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@@H](C)[N@H+]1CC=C(C)CC1	678719840	486945779	/nfs/dbraw/zinc/94/57/79/486945779.db2.gz	GPDLWPLZWAIPPH-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CCCC[C@H](C)[N@H+]1CC=C(C)CC1	678719842	486945788	/nfs/dbraw/zinc/94/57/88/486945788.db2.gz	GPDLWPLZWAIPPH-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CCCC[C@@H](C)[N@H+](CC)CC1CC1	678717093	486945949	/nfs/dbraw/zinc/94/59/49/486945949.db2.gz	ZUKZHBYXNBPBID-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@@H](C)[N@H+](C)CCC1CC1	678718859	486945996	/nfs/dbraw/zinc/94/59/96/486945996.db2.gz	NXPXXXFSSVIBFX-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[C@H](C)[N@H+](CC)CC1CC1	678717094	486946210	/nfs/dbraw/zinc/94/62/10/486946210.db2.gz	ZUKZHBYXNBPBID-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC1CC[NH+](C[C@H](C)CCC)CC1	678828657	486948107	/nfs/dbraw/zinc/94/81/07/486948107.db2.gz	HDAXZKKTWWQLKQ-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC1CC[NH+](C[C@@H](C)CCC)CC1	678828658	486948496	/nfs/dbraw/zinc/94/84/96/486948496.db2.gz	HDAXZKKTWWQLKQ-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(C)C[N@H+](C)CCCC1CCCC1	679217819	486954143	/nfs/dbraw/zinc/95/41/43/486954143.db2.gz	IAPXSUZWAMRGII-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CCC=C(F)C1	679320939	486957121	/nfs/dbraw/zinc/95/71/21/486957121.db2.gz	YNWFGFLSOIBTRJ-LLVKDONJSA-N	1	0	197.297	3.290	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CCC=C(F)C1	679320940	486957732	/nfs/dbraw/zinc/95/77/32/486957732.db2.gz	YNWFGFLSOIBTRJ-NSHDSACASA-N	1	0	197.297	3.290	10	30		AGEERO
C=C(C)C[N@H+]1CC[C@]2(CC[C@H](C)C2)C1	679836049	486967125	/nfs/dbraw/zinc/96/71/25/486967125.db2.gz	VLVUELWTUJPSHP-STQMWFEESA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1	679836047	486967148	/nfs/dbraw/zinc/96/71/48/486967148.db2.gz	VLVUELWTUJPSHP-OLZOCXBDSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCC[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1	679835419	486967213	/nfs/dbraw/zinc/96/72/13/486967213.db2.gz	JUMGZILHRBHWME-QWHCGFSZSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCC[N@H+]1CC[C@]2(CC[C@@H](C)C2)C1	679835418	486967221	/nfs/dbraw/zinc/96/72/21/486967221.db2.gz	JUMGZILHRBHWME-OLZOCXBDSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1	679836046	486967247	/nfs/dbraw/zinc/96/72/47/486967247.db2.gz	VLVUELWTUJPSHP-CHWSQXEVSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCC[N@H+]1CC[C@]2(CC[C@H](C)C2)C1	679835420	486967260	/nfs/dbraw/zinc/96/72/60/486967260.db2.gz	JUMGZILHRBHWME-STQMWFEESA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCC[N@H+]1CC[C@@]2(CC[C@@H](C)C2)C1	679835417	486967335	/nfs/dbraw/zinc/96/73/35/486967335.db2.gz	JUMGZILHRBHWME-CHWSQXEVSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@H+]1CC[C@@]2(CC[C@H](C)C2)C1	679836048	486967785	/nfs/dbraw/zinc/96/77/85/486967785.db2.gz	VLVUELWTUJPSHP-QWHCGFSZSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(CC)C[N@H+](C)C[C@@H]1CC=CCC1	680097990	486979612	/nfs/dbraw/zinc/97/96/12/486979612.db2.gz	GIYMYGVCSWDBFW-CYBMUJFWSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCCC[N@H+]1C[C@@H](C)CC(C)(C)C1	680089549	486979817	/nfs/dbraw/zinc/97/98/17/486979817.db2.gz	GYRHOMPTISVUGH-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(CC)C[N@H+](C)C[C@H]1CC=CCC1	680097992	486980055	/nfs/dbraw/zinc/98/00/55/486980055.db2.gz	GIYMYGVCSWDBFW-ZDUSSCGKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCCC[N@H+]1C[C@H](C)CC(C)(C)C1	680089541	486980377	/nfs/dbraw/zinc/98/03/77/486980377.db2.gz	GYRHOMPTISVUGH-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(C)C[N@H+]1CCCC[C@@H]1CCC	680433916	486984875	/nfs/dbraw/zinc/98/48/75/486984875.db2.gz	COGWIAMWRUIGIT-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)C[N@H+]1CCCC[C@H]1CCC	680433915	486985506	/nfs/dbraw/zinc/98/55/06/486985506.db2.gz	COGWIAMWRUIGIT-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[N@H+]1CC[C@H](C)C(C)(C)C1	680585275	486988846	/nfs/dbraw/zinc/98/88/46/486988846.db2.gz	BMCSYTYTVPSYJI-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCC[N@H+]1CC[C@@H](C)C(C)(C)C1	680585273	486988940	/nfs/dbraw/zinc/98/89/40/486988940.db2.gz	BMCSYTYTVPSYJI-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(C)C[N@@H+](CC)Cc1cccs1	680871016	486994800	/nfs/dbraw/zinc/99/48/00/486994800.db2.gz	DTMDDDWKCSROJT-UHFFFAOYSA-N	1	0	195.331	3.146	10	30		AGEERO
C=C(C)C[N@@H+](C)Cc1ccc(C)cc1	680875169	486995187	/nfs/dbraw/zinc/99/51/87/486995187.db2.gz	AVRNTPXSDDHQGE-UHFFFAOYSA-N	1	0	189.302	3.003	10	30		AGEERO
CC#CCC[NH+](CCCC)CCCC	680881733	486995345	/nfs/dbraw/zinc/99/53/45/486995345.db2.gz	HNVIDFFPWOOZTE-UHFFFAOYSA-N	1	0	195.350	3.302	10	30		AGEERO
CC#CCC[N@H+](C)C1CCCCCC1	680881677	486995542	/nfs/dbraw/zinc/99/55/42/486995542.db2.gz	HBDMITMAPGTQET-UHFFFAOYSA-N	1	0	193.334	3.054	10	30		AGEERO
CC#CCC[N@@H+](CC)C1CCCCC1	680882689	486996466	/nfs/dbraw/zinc/99/64/66/486996466.db2.gz	MHBIIODDHRVLRI-UHFFFAOYSA-N	1	0	193.334	3.054	10	30		AGEERO
CC#CCC[N@H+]1CCCCC[C@@H]1CC	680884396	486998787	/nfs/dbraw/zinc/99/87/87/486998787.db2.gz	XDIVSKFPMFGDFI-ZDUSSCGKSA-N	1	0	193.334	3.054	10	30		AGEERO
CC#CCC[N@H+]1CCCCC[C@H]1CC	680884395	486999111	/nfs/dbraw/zinc/99/91/11/486999111.db2.gz	XDIVSKFPMFGDFI-CYBMUJFWSA-N	1	0	193.334	3.054	10	30		AGEERO
CC#CCC[N@H+](C(C)C)C1CCCC1	680884971	486999199	/nfs/dbraw/zinc/99/91/99/486999199.db2.gz	HHTOQVVTRFKREA-UHFFFAOYSA-N	1	0	193.334	3.053	10	30		AGEERO
C=CC[N@@H+](C)[C@H](C)c1ccc(F)cc1	680938245	487001215	/nfs/dbraw/zinc/00/12/15/487001215.db2.gz	GIDPNCLWDDKAAH-SNVBAGLBSA-N	1	0	193.265	3.005	10	30		AGEERO
C=CC[N@@H+](C)[C@@H](C)c1ccc(F)cc1	680938244	487001302	/nfs/dbraw/zinc/00/13/02/487001302.db2.gz	GIDPNCLWDDKAAH-JTQLQIEISA-N	1	0	193.265	3.005	10	30		AGEERO
C=CCC[NH2+][C@@H](CC)CCCC	168553366	487002881	/nfs/dbraw/zinc/00/28/81/487002881.db2.gz	DBAZBQIKXRCMKN-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[NH2+][C@H](CC)CCCC	168553281	487003144	/nfs/dbraw/zinc/00/31/44/487003144.db2.gz	DBAZBQIKXRCMKN-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC1CC[NH+](CC/C=C\CC)CC1	681020497	487005702	/nfs/dbraw/zinc/00/57/02/487005702.db2.gz	CJINYAGZYFOJGK-WAYWQWQTSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC1CC[NH+](CC/C=C/CC)CC1	681020496	487006038	/nfs/dbraw/zinc/00/60/38/487006038.db2.gz	CJINYAGZYFOJGK-AATRIKPKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=C(C)CC[N@@H+](C)C1CCC(C)CC1	681398226	487020039	/nfs/dbraw/zinc/02/00/39/487020039.db2.gz	FNCADLRPYAWWPJ-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@](C)(CC)C1	681403568	487020445	/nfs/dbraw/zinc/02/04/45/487020445.db2.gz	AODIPGSOTCXHSW-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@@H]1CC(C)C	681401650	487020509	/nfs/dbraw/zinc/02/05/09/487020509.db2.gz	OFHRPJLFXWRPJH-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@@H+](CC)Cc1ccoc1	681402020	487020574	/nfs/dbraw/zinc/02/05/74/487020574.db2.gz	MBWLWJMLSXMMMG-UHFFFAOYSA-N	1	0	193.290	3.068	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@H](CCC)C1	681403625	487020747	/nfs/dbraw/zinc/02/07/47/487020747.db2.gz	DTPUCQMWQGJHDP-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)CC[N@@H+]1CCC[C@H]1C(C)(C)C	681402295	487020853	/nfs/dbraw/zinc/02/08/53/487020853.db2.gz	CUFKZDORVFWJLN-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@@](C)(CC)C1	681403564	487020923	/nfs/dbraw/zinc/02/09/23/487020923.db2.gz	AODIPGSOTCXHSW-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)CC[N@@H+]1CCC[C@H]1C1CCC1	681401842	487020990	/nfs/dbraw/zinc/02/09/90/487020990.db2.gz	BIWMHFQIPWBVIL-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(C)CC[N@@H+](CCC(C)C)C1CC1	681399188	487021014	/nfs/dbraw/zinc/02/10/14/487021014.db2.gz	OXPDIRYZEYVSEJ-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@@H+](C1CCCC1)C1CC1	681403305	487021030	/nfs/dbraw/zinc/02/10/30/487021030.db2.gz	IPBDIXLXEDELHB-UHFFFAOYSA-N	1	0	193.334	3.360	10	30		AGEERO
C=C(C)CC[N@@H+](C)CC1CCCCC1	681400785	487021036	/nfs/dbraw/zinc/02/10/36/487021036.db2.gz	KALBFNJQRISDNR-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)CC[N@@H+]1CCC[C@@H]1C(C)(C)C	681402294	487021174	/nfs/dbraw/zinc/02/11/74/487021174.db2.gz	CUFKZDORVFWJLN-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@@H](CCC)C1	681403623	487021207	/nfs/dbraw/zinc/02/12/07/487021207.db2.gz	DTPUCQMWQGJHDP-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@H]1CC(C)C	681401651	487021214	/nfs/dbraw/zinc/02/12/14/487021214.db2.gz	OFHRPJLFXWRPJH-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@@H+]1CCC[C@@H]1C1CCC1	681401841	487021314	/nfs/dbraw/zinc/02/13/14/487021314.db2.gz	BIWMHFQIPWBVIL-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@@H](CC(C)C)C1	681405170	487021739	/nfs/dbraw/zinc/02/17/39/487021739.db2.gz	VYYCUOGFSDVLEN-ZDUSSCGKSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(C)CC[N@H+]1CCC(CC)(CC)C1	681404379	487021837	/nfs/dbraw/zinc/02/18/37/487021837.db2.gz	NOTFZUJLNTUZAN-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)CC[NH+]1C[C@@H]2CCCC[C@H]2C1	681404413	487021840	/nfs/dbraw/zinc/02/18/40/487021840.db2.gz	ONUBYIRDXOBTFF-STQMWFEESA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)CC[NH+]1C[C@H]2CCCC[C@@H]2C1	681404412	487021994	/nfs/dbraw/zinc/02/19/94/487021994.db2.gz	ONUBYIRDXOBTFF-CHWSQXEVSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@@H](CC)CC1	681403985	487022026	/nfs/dbraw/zinc/02/20/26/487022026.db2.gz	NRLGQGJSDGEBKL-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@H](CC(C)C)C1	681405169	487022153	/nfs/dbraw/zinc/02/21/53/487022153.db2.gz	VYYCUOGFSDVLEN-CYBMUJFWSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@H](CC)CC1	681403986	487022454	/nfs/dbraw/zinc/02/24/54/487022454.db2.gz	NRLGQGJSDGEBKL-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)CC[NH+](CC1CC1)CC1CC1	681405690	487022513	/nfs/dbraw/zinc/02/25/13/487022513.db2.gz	BSLWXLBKWHRPEA-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)CC[N@@H+](C)C[C@H]1CC=CCC1	681410618	487023215	/nfs/dbraw/zinc/02/32/15/487023215.db2.gz	ZCEWQKBPSREOJE-ZDUSSCGKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=C(C)CC[N@@H+](C)C[C@@H]1CC=CCC1	681410617	487023674	/nfs/dbraw/zinc/02/36/74/487023674.db2.gz	ZCEWQKBPSREOJE-CYBMUJFWSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC[N@@H+](C)CC1CCC(C)(C)CC1	681695359	487031058	/nfs/dbraw/zinc/03/10/58/487031058.db2.gz	APESMYAIMLOADL-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[N@@H+](C)CC[C@@H]1CCC[C@@H](C)C1	681695390	487031301	/nfs/dbraw/zinc/03/13/01/487031301.db2.gz	BPFBEEQWQWJYHO-OLZOCXBDSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[N@@H+](C)CC[C@@H]1CCC[C@H](C)C1	681695393	487031286	/nfs/dbraw/zinc/03/12/86/487031286.db2.gz	BPFBEEQWQWJYHO-STQMWFEESA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[N@@H+](C)CC[C@H]1CCC[C@H](C)C1	681695392	487031349	/nfs/dbraw/zinc/03/13/49/487031349.db2.gz	BPFBEEQWQWJYHO-QWHCGFSZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[N@@H+](C)CC[C@H]1CCC[C@@H](C)C1	681695389	487031418	/nfs/dbraw/zinc/03/14/18/487031418.db2.gz	BPFBEEQWQWJYHO-CHWSQXEVSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCC[NH+]1CCC(C)(C(C)C)CC1	681703484	487034438	/nfs/dbraw/zinc/03/44/38/487034438.db2.gz	CQBXUNZHDWTSOB-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCC[N@@H+](CC)[C@@H]1CCCC[C@@H]1C	682031327	487041420	/nfs/dbraw/zinc/04/14/20/487041420.db2.gz	HCHRGWCTTIZYEW-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@@H+](CC)[C@@H]1CCCC[C@H]1C	682031325	487041205	/nfs/dbraw/zinc/04/12/05/487041205.db2.gz	HCHRGWCTTIZYEW-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@@H+](CC)[C@H]1CCCC[C@@H]1C	682031328	487041429	/nfs/dbraw/zinc/04/14/29/487041429.db2.gz	HCHRGWCTTIZYEW-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@@H+](CC)[C@H]1CCCC[C@H]1C	682031326	487041701	/nfs/dbraw/zinc/04/17/01/487041701.db2.gz	HCHRGWCTTIZYEW-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@H](C)C1CCCCC1	682073350	487043363	/nfs/dbraw/zinc/04/33/63/487043363.db2.gz	APMGNUBVRBBCIQ-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@@H+](C)CC1CCCCCC1	682434874	487058672	/nfs/dbraw/zinc/05/86/72/487058672.db2.gz	AEQBABYKDQENMG-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCCC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C	682777966	487069294	/nfs/dbraw/zinc/06/92/94/487069294.db2.gz	VLTLMXOWKQTNQP-JHJVBQTASA-N	1	0	195.350	3.319	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C	682777578	487069427	/nfs/dbraw/zinc/06/94/27/487069427.db2.gz	NCCKGUSOMIPMLI-AGIUHOORSA-N	1	0	195.350	3.319	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@H]1C	682777581	487069740	/nfs/dbraw/zinc/06/97/40/487069740.db2.gz	NCCKGUSOMIPMLI-JHJVBQTASA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C	682777970	487069811	/nfs/dbraw/zinc/06/98/11/487069811.db2.gz	VLTLMXOWKQTNQP-UPJWGTAASA-N	1	0	195.350	3.319	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C	682777580	487069890	/nfs/dbraw/zinc/06/98/90/487069890.db2.gz	NCCKGUSOMIPMLI-FRRDWIJNSA-N	1	0	195.350	3.319	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@H](C)C[C@@H](C)[C@@H]1C	682777582	487070076	/nfs/dbraw/zinc/07/00/76/487070076.db2.gz	NCCKGUSOMIPMLI-UPJWGTAASA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[N@@H+]1C[C@H](C)C[C@H](C)[C@@H]1C	682777957	487070085	/nfs/dbraw/zinc/07/00/85/487070085.db2.gz	VLTLMXOWKQTNQP-AGIUHOORSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[N@@H+]1C[C@H](C)C[C@H](C)[C@H]1C	682777963	487070189	/nfs/dbraw/zinc/07/01/89/487070189.db2.gz	VLTLMXOWKQTNQP-FRRDWIJNSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCCCC[N@@H+](C)C[C@H]1C[C@@H]1C	683108573	487079980	/nfs/dbraw/zinc/07/99/80/487079980.db2.gz	FDFRQFLDMGPEAB-QWHCGFSZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCCC[N@@H+](C)C[C@@H]1C[C@H]1C	683108571	487080039	/nfs/dbraw/zinc/08/00/39/487080039.db2.gz	FDFRQFLDMGPEAB-OLZOCXBDSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCCC[N@@H+](C)C[C@@H]1C[C@@H]1C	683108575	487080393	/nfs/dbraw/zinc/08/03/93/487080393.db2.gz	FDFRQFLDMGPEAB-STQMWFEESA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCCC[N@@H+](C)C[C@H]1C[C@H]1C	683108566	487080410	/nfs/dbraw/zinc/08/04/10/487080410.db2.gz	FDFRQFLDMGPEAB-CHWSQXEVSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCCCC[NH2+]C1CCCC1	232574085	487083269	/nfs/dbraw/zinc/08/32/69/487083269.db2.gz	LFHRMFLCFAAXAV-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CCCCCC[NH2+]C1CC(C)C1	232784347	487084433	/nfs/dbraw/zinc/08/44/33/487084433.db2.gz	QEYXGXUFGIRZKW-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[NH2+][C@H](C)C(C)C	232691406	487084668	/nfs/dbraw/zinc/08/46/68/487084668.db2.gz	AHAOVLOAASCMLW-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCCC[NH2+]Cc1ccco1	232579725	487084857	/nfs/dbraw/zinc/08/48/57/487084857.db2.gz	RJPXWYIDNSNNPE-UHFFFAOYSA-N	1	0	193.290	3.116	10	30		AGEERO
C=CCCCCC[NH2+]CC1(C)CC1	232809530	487085223	/nfs/dbraw/zinc/08/52/23/487085223.db2.gz	UBZLLRDPARJOOY-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=CCCCCC[NH2+][C@H](C)CC	233849282	487092707	/nfs/dbraw/zinc/09/27/07/487092707.db2.gz	VUZRPAWZGBQQRG-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCCCC[NH2+][C@@H](C)CC	234013149	487095170	/nfs/dbraw/zinc/09/51/70/487095170.db2.gz	VUZRPAWZGBQQRG-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCCCC[NH+]1CCC(=C)CC1	683780355	487096747	/nfs/dbraw/zinc/09/67/47/487096747.db2.gz	GTMUQALVLZHBGK-UHFFFAOYSA-N	1	0	193.334	3.385	10	30		AGEERO
C=C[C@H]1CCCC[N@@H+]1CC1CCCC1	683792937	487097668	/nfs/dbraw/zinc/09/76/68/487097668.db2.gz	HUNRMXVURWOLKW-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C[C@@H]1CCCC[N@@H+]1CC1CCCC1	683792936	487097708	/nfs/dbraw/zinc/09/77/08/487097708.db2.gz	HUNRMXVURWOLKW-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCCCC[NH2+][C@H](C)C1CC1	235203947	487100701	/nfs/dbraw/zinc/10/07/01/487100701.db2.gz	OBNMBSJHPQWGMR-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1	235283996	487101390	/nfs/dbraw/zinc/10/13/90/487101390.db2.gz	GAWCNYNDFYLETA-AAEUAGOBSA-N	1	0	193.334	3.145	10	30		AGEERO
C=CCC[NH2+]C[C@H]1CC(C)=C[C@H](C)C1	235389216	487103901	/nfs/dbraw/zinc/10/39/01/487103901.db2.gz	GAWCNYNDFYLETA-WCQYABFASA-N	1	0	193.334	3.145	10	30		AGEERO
C=CCCCCC[NH2+][C@@H](C)C1CC1	235510725	487104400	/nfs/dbraw/zinc/10/44/00/487104400.db2.gz	OBNMBSJHPQWGMR-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[NH2+]C[C@H]1CC(C)=C[C@@H](C)C1	235672935	487106796	/nfs/dbraw/zinc/10/67/96/487106796.db2.gz	GAWCNYNDFYLETA-DGCLKSJQSA-N	1	0	193.334	3.145	10	30		AGEERO
C=CCC[NH2+]C[C@@H]1CC(C)=C[C@@H](C)C1	235700836	487107289	/nfs/dbraw/zinc/10/72/89/487107289.db2.gz	GAWCNYNDFYLETA-YPMHNXCESA-N	1	0	193.334	3.145	10	30		AGEERO
C=CCCCCC[N@@H+](C)CC1(F)CC1	684361839	487119059	/nfs/dbraw/zinc/11/90/59/487119059.db2.gz	YACRFVDBVWJRGP-UHFFFAOYSA-N	1	0	199.313	3.167	10	30		AGEERO
C=C(CC)C[N@H+](CC1CC1)C1CCC1	684627664	487127518	/nfs/dbraw/zinc/12/75/18/487127518.db2.gz	DRSUBGKPSSDXJV-UHFFFAOYSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(C)CC[N@@H+](C)[C@H]1CCC(C)(C)C1	684624917	487127817	/nfs/dbraw/zinc/12/78/17/487127817.db2.gz	FTMGMUCXAABPMY-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)CC[N@@H+](C)[C@@H]1CCC(C)(C)C1	684624916	487127840	/nfs/dbraw/zinc/12/78/40/487127840.db2.gz	FTMGMUCXAABPMY-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+](CC1CCC1)CC1CC1	684628018	487128881	/nfs/dbraw/zinc/12/88/81/487128881.db2.gz	GBGQPDXIZRDBGS-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCC[N@@H+](CC1CCC1)CC1CC1	684628063	487128967	/nfs/dbraw/zinc/12/89/67/487128967.db2.gz	GTTMUIHBMAAXLE-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CCC=C(C)C1	684774242	487131829	/nfs/dbraw/zinc/13/18/29/487131829.db2.gz	VXWJTSZCFDJJJX-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CCC=C(C)C1	684774241	487132161	/nfs/dbraw/zinc/13/21/61/487132161.db2.gz	VXWJTSZCFDJJJX-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CC[NH+](CC=C)C[C@H](C)CC(C)C	685000198	487138927	/nfs/dbraw/zinc/13/89/27/487138927.db2.gz	BSRNHJJMQHBDNF-CYBMUJFWSA-N	1	0	195.350	3.343	10	30		AGEERO
C=CC[NH+](CC=C)C[C@@H](C)CC(C)C	685000199	487139118	/nfs/dbraw/zinc/13/91/18/487139118.db2.gz	BSRNHJJMQHBDNF-ZDUSSCGKSA-N	1	0	195.350	3.343	10	30		AGEERO
C=CCCCCC[NH2+][C@@H](C)C(C)C	300211769	487142925	/nfs/dbraw/zinc/14/29/25/487142925.db2.gz	AHAOVLOAASCMLW-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[N@H+](C)CCCC1CCCCC1	685427787	487144573	/nfs/dbraw/zinc/14/45/73/487144573.db2.gz	CGKWTHUIOYVMEL-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)C[N@@H+](C)CC12CCC(CC1)C2	685418110	487144727	/nfs/dbraw/zinc/14/47/27/487144727.db2.gz	FQNZFYCCWPVHSY-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[NH+]1CCC(C)(C2CC2)CC1	685596884	487147449	/nfs/dbraw/zinc/14/74/49/487147449.db2.gz	AUIUGNGFFGTSAE-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCC[NH+]1CCC(C)(C2CC2)CC1	685597099	487147684	/nfs/dbraw/zinc/14/76/84/487147684.db2.gz	FAWNLAGXPGIJKY-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[N@@H+](C)C[C@H]1CC(C)=C[C@@H](C)C1	685843936	487149787	/nfs/dbraw/zinc/14/97/87/487149787.db2.gz	AGPDTSJXBPTNEU-DGCLKSJQSA-N	1	0	193.334	3.097	10	30		AGEERO
C=CC[N@@H+](C)C[C@@H]1CC(C)=C[C@@H](C)C1	685843938	487149970	/nfs/dbraw/zinc/14/99/70/487149970.db2.gz	AGPDTSJXBPTNEU-YPMHNXCESA-N	1	0	193.334	3.097	10	30		AGEERO
C=CC[N@@H+](C)C[C@H]1CC(C)=C[C@H](C)C1	685843937	487150645	/nfs/dbraw/zinc/15/06/45/487150645.db2.gz	AGPDTSJXBPTNEU-WCQYABFASA-N	1	0	193.334	3.097	10	30		AGEERO
C=CC[N@@H+](C)C[C@@H]1CC(C)=C[C@H](C)C1	685843935	487150716	/nfs/dbraw/zinc/15/07/16/487150716.db2.gz	AGPDTSJXBPTNEU-AAEUAGOBSA-N	1	0	193.334	3.097	10	30		AGEERO
C=CCC[NH2+][C@@H](C)CCC(C)(C)C	308174846	487195989	/nfs/dbraw/zinc/19/59/89/487195989.db2.gz	DXGGBAQOWKZMND-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[NH2+][C@H](C)CCC(C)(C)C	308174845	487196245	/nfs/dbraw/zinc/19/62/45/487196245.db2.gz	DXGGBAQOWKZMND-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[N@@H+](C)C[C@@H](C)C(C)(C)C	308249932	487197746	/nfs/dbraw/zinc/19/77/46/487197746.db2.gz	GYTJAEUNJGCRIT-LLVKDONJSA-N	1	0	183.339	3.177	10	30		AGEERO
C=CCC[N@@H+](C)C[C@H](C)C(C)(C)C	308249937	487197870	/nfs/dbraw/zinc/19/78/70/487197870.db2.gz	GYTJAEUNJGCRIT-NSHDSACASA-N	1	0	183.339	3.177	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]CCCCF	308505779	487202262	/nfs/dbraw/zinc/20/22/62/487202262.db2.gz	ZEAZRFDUQQGHLW-LLVKDONJSA-N	1	0	187.302	3.071	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]CCCCF	308505784	487202271	/nfs/dbraw/zinc/20/22/71/487202271.db2.gz	ZEAZRFDUQQGHLW-NSHDSACASA-N	1	0	187.302	3.071	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@]21C	308568599	487204098	/nfs/dbraw/zinc/20/40/98/487204098.db2.gz	JCPOCUKBYZYHEX-WUHRBBMRSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C	308568591	487204221	/nfs/dbraw/zinc/20/42/21/487204221.db2.gz	JCPOCUKBYZYHEX-LOWDOPEQSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C	308636545	487205884	/nfs/dbraw/zinc/20/58/84/487205884.db2.gz	CNAJJOMFYKNHBG-UPJWGTAASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC[C@H]([NH2+][C@H]1CC1(C)C)C1CC1	308646614	487205920	/nfs/dbraw/zinc/20/59/20/487205920.db2.gz	HYNDVJBOGMOTQT-RYUDHWBXSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H]([NH2+][C@H]1CC1(C)C)C1CC1	308646611	487205985	/nfs/dbraw/zinc/20/59/85/487205985.db2.gz	HYNDVJBOGMOTQT-NEPJUHHUSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC[C@H]2C[C@]21C	308636548	487206340	/nfs/dbraw/zinc/20/63/40/487206340.db2.gz	CNAJJOMFYKNHBG-YNEHKIRRSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@H]1C1CCC1	308662056	487206836	/nfs/dbraw/zinc/20/68/36/487206836.db2.gz	QPXOGOUKAAFNDI-STQMWFEESA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@@H]1C1CCC1	308662053	487206841	/nfs/dbraw/zinc/20/68/41/487206841.db2.gz	QPXOGOUKAAFNDI-CHWSQXEVSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@H]1C1CCC1	308662055	487206967	/nfs/dbraw/zinc/20/69/67/487206967.db2.gz	QPXOGOUKAAFNDI-QWHCGFSZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@@H]1C1CCC1	308662054	487207043	/nfs/dbraw/zinc/20/70/43/487207043.db2.gz	QPXOGOUKAAFNDI-OLZOCXBDSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1C[C@@H]1C	321519695	487214276	/nfs/dbraw/zinc/21/42/76/487214276.db2.gz	NZGDGMKAFFMMKH-TUAOUCFPSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1C[C@H]1C	321519697	487214332	/nfs/dbraw/zinc/21/43/32/487214332.db2.gz	NZGDGMKAFFMMKH-UTUOFQBUSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1C[C@H]1C	321519692	487214399	/nfs/dbraw/zinc/21/43/99/487214399.db2.gz	NZGDGMKAFFMMKH-IJLUTSLNSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C	321519694	487214500	/nfs/dbraw/zinc/21/45/00/487214500.db2.gz	NZGDGMKAFFMMKH-QJPTWQEYSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H](C(C)C)C1CC1	324463077	487225341	/nfs/dbraw/zinc/22/53/41/487225341.db2.gz	YOGQQFMYXATOCV-AAEUAGOBSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H](C(C)C)C1CC1	324463080	487225809	/nfs/dbraw/zinc/22/58/09/487225809.db2.gz	YOGQQFMYXATOCV-YPMHNXCESA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H](C(C)C)C1CC1	324463078	487225904	/nfs/dbraw/zinc/22/59/04/487225904.db2.gz	YOGQQFMYXATOCV-DGCLKSJQSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H](C(C)C)C1CC1	324463079	487225997	/nfs/dbraw/zinc/22/59/97/487225997.db2.gz	YOGQQFMYXATOCV-WCQYABFASA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1[C@H]2CCC[C@H]21	379576650	487245546	/nfs/dbraw/zinc/24/55/46/487245546.db2.gz	OOEYDHSBSOXAIW-WUHRBBMRSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+][C@@H]1[C@H]2CCC[C@H]21	379576647	487245861	/nfs/dbraw/zinc/24/58/61/487245861.db2.gz	OOEYDHSBSOXAIW-NDBYEHHHSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H]([NH2+][C@@H](C)C1CC1)C1CC1	379620262	487246875	/nfs/dbraw/zinc/24/68/75/487246875.db2.gz	DLBFIAHSXDJPOZ-GXFFZTMASA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CC[C@H]1C1CCC1	379628231	487246885	/nfs/dbraw/zinc/24/68/85/487246885.db2.gz	LGONHTBUTZSLDT-WCFLWFBJSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CC[C@@H]1C1CCC1	379628229	487246925	/nfs/dbraw/zinc/24/69/25/487246925.db2.gz	LGONHTBUTZSLDT-UHTWSYAYSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H]([NH2+][C@@H](C)C1CC1)C1CC1	379620258	487247015	/nfs/dbraw/zinc/24/70/15/487247015.db2.gz	DLBFIAHSXDJPOZ-GWCFXTLKSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C1CCC1	379628221	487247116	/nfs/dbraw/zinc/24/71/16/487247116.db2.gz	LGONHTBUTZSLDT-CYZMBNFOSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CC[C@H]1C1CCC1	379628225	487247187	/nfs/dbraw/zinc/24/71/87/487247187.db2.gz	LGONHTBUTZSLDT-DRZSPHRISA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C1CC(C)(C)C1	395190961	487271934	/nfs/dbraw/zinc/27/19/34/487271934.db2.gz	XRADBWGZSVDYRN-JTQLQIEISA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]C1CC(C)(C)C1	395190962	487271968	/nfs/dbraw/zinc/27/19/68/487271968.db2.gz	XRADBWGZSVDYRN-SNVBAGLBSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C	398210434	487283968	/nfs/dbraw/zinc/28/39/68/487283968.db2.gz	ZXOLIKMGJMWYDN-YVECIDJPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C	398210432	487284268	/nfs/dbraw/zinc/28/42/68/487284268.db2.gz	ZXOLIKMGJMWYDN-XQHKEYJVSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1C	398210429	487284332	/nfs/dbraw/zinc/28/43/32/487284332.db2.gz	ZXOLIKMGJMWYDN-RVMXOQNASA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]1C	398210431	487284409	/nfs/dbraw/zinc/28/44/09/487284409.db2.gz	ZXOLIKMGJMWYDN-WUHRBBMRSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCCCC[NH2+][C@H](C)[C@H]1C[C@H]1C	655807731	487312915	/nfs/dbraw/zinc/31/29/15/487312915.db2.gz	SVEPYVGUYFUSRI-UPJWGTAASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCCC[NH2+][C@H](C)[C@@H]1C[C@H]1C	655807730	487313006	/nfs/dbraw/zinc/31/30/06/487313006.db2.gz	SVEPYVGUYFUSRI-JHJVBQTASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C	655807733	487313031	/nfs/dbraw/zinc/31/30/31/487313031.db2.gz	SVEPYVGUYFUSRI-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCCC[NH2+][C@H](C)[C@H]1C[C@@H]1C	655807732	487313036	/nfs/dbraw/zinc/31/30/36/487313036.db2.gz	SVEPYVGUYFUSRI-XQQFMLRXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+]C1CC2(CCCCC2)C1	668482511	487362699	/nfs/dbraw/zinc/36/26/99/487362699.db2.gz	PSZCDTZBZLIPQC-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](CC2(C)CC2)C1	668492813	487363317	/nfs/dbraw/zinc/36/33/17/487363317.db2.gz	GSOMPACKPPSUDB-LBPRGKRZSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](CC2(C)CC2)C1	668492812	487363395	/nfs/dbraw/zinc/36/33/95/487363395.db2.gz	GSOMPACKPPSUDB-GFCCVEGCSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+][C@H]1[C@H]2CCC[C@H]21	668669226	487365898	/nfs/dbraw/zinc/36/58/98/487365898.db2.gz	OOEYDHSBSOXAIW-FVCCEPFGSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@H]1[C@H]2CCC[C@H]21	668669227	487365998	/nfs/dbraw/zinc/36/59/98/487365998.db2.gz	OOEYDHSBSOXAIW-RVMXOQNASA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+]C1[C@H](C)CCC[C@H]1C	161664002	582490941	/nfs/dbraw/zinc/49/09/41/582490941.db2.gz	QBZLASZSDGCERN-UTUOFQBUSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[N@H+]1CCC[C@@H]1C(C)(C)CC	393713512	582493901	/nfs/dbraw/zinc/49/39/01/582493901.db2.gz	DLXHTXJJDYQKHZ-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@H+]1CCC[C@H]1C(C)(C)CC	393713514	582493906	/nfs/dbraw/zinc/49/39/06/582493906.db2.gz	DLXHTXJJDYQKHZ-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
CC(C)CCCC[NH2+]CCCCC#N	147486799	582521798	/nfs/dbraw/zinc/52/17/98/582521798.db2.gz	JWPZRMPNBJXUEL-UHFFFAOYSA-N	1	0	196.338	3.096	10	30		AGEERO
CC[C@H](CC#N)[NH2+]CCCCC(C)C	147489455	582521923	/nfs/dbraw/zinc/52/19/23/582521923.db2.gz	VQEPMOHQYJKCFS-GFCCVEGCSA-N	1	0	196.338	3.095	10	30		AGEERO
CC[C@@H](CC#N)[NH2+]CCCCC(C)C	147489239	582522204	/nfs/dbraw/zinc/52/22/04/582522204.db2.gz	VQEPMOHQYJKCFS-LBPRGKRZSA-N	1	0	196.338	3.095	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@H]21	897954555	582550189	/nfs/dbraw/zinc/55/01/89/582550189.db2.gz	HBSWRGGSNMVZDL-UMSGYPCISA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@@H]21	897954557	582550238	/nfs/dbraw/zinc/55/02/38/582550238.db2.gz	HBSWRGGSNMVZDL-ZDEQEGDKSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1C[C@@H]2CCC[C@H]21	897954556	582550350	/nfs/dbraw/zinc/55/03/50/582550350.db2.gz	HBSWRGGSNMVZDL-WUHRBBMRSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H]21	897954554	582550448	/nfs/dbraw/zinc/55/04/48/582550448.db2.gz	HBSWRGGSNMVZDL-QNWHQSFQSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]C/C=C/Cl)C1	898427601	582553846	/nfs/dbraw/zinc/55/38/46/582553846.db2.gz	CYESKELXHMZVRQ-JZAOELKXSA-N	1	0	199.725	3.073	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]C/C=C\Cl)C1	898427423	582553896	/nfs/dbraw/zinc/55/38/96/582553896.db2.gz	CYESKELXHMZVRQ-JEIZLPFHSA-N	1	0	199.725	3.073	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]C/C=C/Cl)C1	898427604	582554021	/nfs/dbraw/zinc/55/40/21/582554021.db2.gz	CYESKELXHMZVRQ-XEQKKNTQSA-N	1	0	199.725	3.073	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]C/C=C\Cl)C1	898427603	582554207	/nfs/dbraw/zinc/55/42/07/582554207.db2.gz	CYESKELXHMZVRQ-RRJXKJFGSA-N	1	0	199.725	3.073	10	30		AGEERO
C=CC(C)(C)[NH2+]Cc1ccsc1C	898460192	582554432	/nfs/dbraw/zinc/55/44/32/582554432.db2.gz	GVRPLMZLKGULIY-UHFFFAOYSA-N	1	0	195.331	3.111	10	30		AGEERO
C=CC(C)(C)[NH2+]Cc1ccccc1C	898456906	582554556	/nfs/dbraw/zinc/55/45/56/582554556.db2.gz	IKCIUSQPXWMZFT-UHFFFAOYSA-N	1	0	189.302	3.049	10	30		AGEERO
C=CC(C)(C)[NH2+]Cc1cccc(C)c1	898457016	582554577	/nfs/dbraw/zinc/55/45/77/582554577.db2.gz	JSLGSSFUFZTJFF-UHFFFAOYSA-N	1	0	189.302	3.049	10	30		AGEERO
C=CC(C)(C)[NH2+]Cc1ccc(C)cc1	898457334	582554620	/nfs/dbraw/zinc/55/46/20/582554620.db2.gz	MVSZMCVVZTYMRD-UHFFFAOYSA-N	1	0	189.302	3.049	10	30		AGEERO
C#CCCCCCC[NH2+]C(C)(C)C=C	898460553	582555004	/nfs/dbraw/zinc/55/50/04/582555004.db2.gz	OAPYFMUWLCULQC-UHFFFAOYSA-N	1	0	193.334	3.124	10	30		AGEERO
C=CC(C)(C)[NH2+]Cc1sccc1C	898456760	582555026	/nfs/dbraw/zinc/55/50/26/582555026.db2.gz	FYDOZRAHFSUNMA-UHFFFAOYSA-N	1	0	195.331	3.111	10	30		AGEERO
C=CC(C)(C)[NH2+]Cc1ccc(C)s1	898456860	582555028	/nfs/dbraw/zinc/55/50/28/582555028.db2.gz	HMODMPZHPRJJHH-UHFFFAOYSA-N	1	0	195.331	3.111	10	30		AGEERO
C=CC(C)(C)[NH2+]Cc1csc(C)c1	898460626	582555503	/nfs/dbraw/zinc/55/55/03/582555503.db2.gz	QCYHKZMUKFUAHL-UHFFFAOYSA-N	1	0	195.331	3.111	10	30		AGEERO
C=CCCC[C@H](C)[NH2+]C1(C2CC2)CC1	379664953	582591670	/nfs/dbraw/zinc/59/16/70/582591670.db2.gz	VKWUXWMHDCJZHD-NSHDSACASA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCC[C@@H](C)[NH2+]C1(C2CC2)CC1	379664952	582591767	/nfs/dbraw/zinc/59/17/67/582591767.db2.gz	VKWUXWMHDCJZHD-LLVKDONJSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCCC[NH2+][C@H](C)[C@@H]1CC1(C)C	379666653	582592403	/nfs/dbraw/zinc/59/24/03/582592403.db2.gz	XRXOGFICYIFFKB-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[NH2+][C@@H](C)[C@H]1CC1(C)C	379666654	582592577	/nfs/dbraw/zinc/59/25/77/582592577.db2.gz	XRXOGFICYIFFKB-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[NH2+][C@@H](C)[C@@H]1CC1(C)C	379666655	582592616	/nfs/dbraw/zinc/59/26/16/582592616.db2.gz	XRXOGFICYIFFKB-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[NH2+][C@H](C)[C@H]1CC1(C)C	379666656	582592826	/nfs/dbraw/zinc/59/28/26/582592826.db2.gz	XRXOGFICYIFFKB-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1C[C@@H]2CCC[C@@H]2C1	902868799	582615343	/nfs/dbraw/zinc/61/53/43/582615343.db2.gz	QDXNBMBCXRMFHZ-RVMXOQNASA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H]1C[C@@H]2CCC[C@@H]2C1	902868797	582615394	/nfs/dbraw/zinc/61/53/94/582615394.db2.gz	QDXNBMBCXRMFHZ-FVCCEPFGSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+]C1C[C@@H]2CCC[C@H]2C1	902868800	582615414	/nfs/dbraw/zinc/61/54/14/582615414.db2.gz	QDXNBMBCXRMFHZ-SRVKXCTJSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H]2C1	902868798	582615648	/nfs/dbraw/zinc/61/56/48/582615648.db2.gz	QDXNBMBCXRMFHZ-QJPTWQEYSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCCC[NH2+]C1C[C@H]2CCC[C@@H]2C1	902974991	582619941	/nfs/dbraw/zinc/61/99/41/582619941.db2.gz	BACYKRIPWHSHBO-VXGBXAGGSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+]C1C[C@@H]2CCC[C@H]2C1	902974989	582620061	/nfs/dbraw/zinc/62/00/61/582620061.db2.gz	BACYKRIPWHSHBO-RYUDHWBXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@H]1C[C@@H]2CCC[C@@H]2C1	902974988	582620367	/nfs/dbraw/zinc/62/03/67/582620367.db2.gz	BACYKRIPWHSHBO-CLLJXQQHSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)CC[NH2+]C1C[C@@H]2CCC[C@H]2C1	903008558	582621047	/nfs/dbraw/zinc/62/10/47/582621047.db2.gz	RAPKBJYENOFUBX-RYUDHWBXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)CC[NH2+]C1C[C@H]2CCC[C@@H]2C1	903008559	582621519	/nfs/dbraw/zinc/62/15/19/582621519.db2.gz	RAPKBJYENOFUBX-VXGBXAGGSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)CC[NH2+][C@H]1C[C@@H]2CCC[C@@H]2C1	903008557	582621571	/nfs/dbraw/zinc/62/15/71/582621571.db2.gz	RAPKBJYENOFUBX-CLLJXQQHSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H](CC)[NH2+]Cc1ccccc1	196644779	582663006	/nfs/dbraw/zinc/66/30/06/582663006.db2.gz	AAQQWRWRKUDVQB-CYBMUJFWSA-N	1	0	189.302	3.131	10	30		AGEERO
C=CC[C@H](CC)[NH2+]Cc1ccccc1	196644777	582663293	/nfs/dbraw/zinc/66/32/93/582663293.db2.gz	AAQQWRWRKUDVQB-ZDUSSCGKSA-N	1	0	189.302	3.131	10	30		AGEERO
C=C(CC)C[N@H+](C)C1(C)CCCC1	393563700	582675783	/nfs/dbraw/zinc/67/57/83/582675783.db2.gz	LMXMBRKRSXIUCE-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[N@H+](C[C@H]1CC=CCC1)C(C)C	768546394	582679426	/nfs/dbraw/zinc/67/94/26/582679426.db2.gz	ARBOJLBJTHDMPI-ZDUSSCGKSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CCCC[N@@H+](CC)Cc1ccco1	735490891	582684283	/nfs/dbraw/zinc/68/42/83/582684283.db2.gz	UJGHQEOBMOHBKW-UHFFFAOYSA-N	1	0	193.290	3.068	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CCC[C@H]1CC	161688953	582701687	/nfs/dbraw/zinc/70/16/87/582701687.db2.gz	QWXGZHRCTJIWRD-TUAOUCFPSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+]C1[C@@H](C)CCC[C@@H]1C	161663913	582702059	/nfs/dbraw/zinc/70/20/59/582702059.db2.gz	QBZLASZSDGCERN-SRVKXCTJSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1CC	161689156	582702186	/nfs/dbraw/zinc/70/21/86/582702186.db2.gz	QWXGZHRCTJIWRD-QJPTWQEYSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CC	161689286	582702286	/nfs/dbraw/zinc/70/22/86/582702286.db2.gz	QWXGZHRCTJIWRD-SDDRHHMPSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CCC[C@@H]1CC	161689100	582702384	/nfs/dbraw/zinc/70/23/84/582702384.db2.gz	QWXGZHRCTJIWRD-SRVKXCTJSA-N	1	0	181.323	3.119	10	30		AGEERO
CC#CC[N@H+](C)C1CCCCCCC1	741776832	582732962	/nfs/dbraw/zinc/73/29/62/582732962.db2.gz	AFNNPZDFGJEAEE-UHFFFAOYSA-N	1	0	193.334	3.054	10	30		AGEERO
C#CC[N@@H+](CCCCC)C1CCCC1	746156986	582744855	/nfs/dbraw/zinc/74/48/55/582744855.db2.gz	NRAGWNLZTOKYMO-UHFFFAOYSA-N	1	0	193.334	3.054	10	30		AGEERO
C=CC[N@H+](C[C@@H]1CC=CCC1)C(C)C	768546353	582836373	/nfs/dbraw/zinc/83/63/73/582836373.db2.gz	ARBOJLBJTHDMPI-CYBMUJFWSA-N	1	0	193.334	3.239	10	30		AGEERO
C=C(C)CC[N@@H+]1CCC2(CCCC2)C1	775610801	582863495	/nfs/dbraw/zinc/86/34/95/582863495.db2.gz	TXAKAZJBQIBPHO-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C#CC[NH+](CC(C)(C)C)CC(C)(C)C	775557992	582863883	/nfs/dbraw/zinc/86/38/83/582863883.db2.gz	FFAQIEMPFUIOGS-UHFFFAOYSA-N	1	0	195.350	3.014	10	30		AGEERO
C=CCC[N@@H+]1CCCC2(CCCC2)C1	782636061	582885383	/nfs/dbraw/zinc/88/53/83/582885383.db2.gz	BDNBQDTUVRYUTH-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@@](C)(F)C1	830212035	583065702	/nfs/dbraw/zinc/06/57/02/583065702.db2.gz	JYKHCADVSSOFOQ-GFCCVEGCSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@](C)(F)C1	830212036	583066349	/nfs/dbraw/zinc/06/63/49/583066349.db2.gz	JYKHCADVSSOFOQ-LBPRGKRZSA-N	1	0	199.313	3.167	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CC(=C)Cl)C1	845952627	583152150	/nfs/dbraw/zinc/15/21/50/583152150.db2.gz	SNVPDRKOFAVLJS-MNOVXSKESA-N	1	0	199.725	3.073	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CC(=C)Cl)C1	845952628	583152154	/nfs/dbraw/zinc/15/21/54/583152154.db2.gz	SNVPDRKOFAVLJS-QWRGUYRKSA-N	1	0	199.725	3.073	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CC(=C)Cl)C1	845952626	583152171	/nfs/dbraw/zinc/15/21/71/583152171.db2.gz	SNVPDRKOFAVLJS-GHMZBOCLSA-N	1	0	199.725	3.073	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CC(=C)Cl)C1	845952629	583152365	/nfs/dbraw/zinc/15/23/65/583152365.db2.gz	SNVPDRKOFAVLJS-WDEREUQCSA-N	1	0	199.725	3.073	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2C=CCC2)C1	850359449	583185362	/nfs/dbraw/zinc/18/53/62/583185362.db2.gz	IBDUFRFHZBDNEE-UPJWGTAASA-N	1	0	191.318	3.039	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+][C@@H]2C=CCC2)C1	850359448	583185371	/nfs/dbraw/zinc/18/53/71/583185371.db2.gz	IBDUFRFHZBDNEE-JHJVBQTASA-N	1	0	191.318	3.039	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+][C@H]2C=CCC2)C1	850359447	583185423	/nfs/dbraw/zinc/18/54/23/583185423.db2.gz	IBDUFRFHZBDNEE-FRRDWIJNSA-N	1	0	191.318	3.039	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@H]2C=CCC2)C1	850359446	583185792	/nfs/dbraw/zinc/18/57/92/583185792.db2.gz	IBDUFRFHZBDNEE-AGIUHOORSA-N	1	0	191.318	3.039	10	30		AGEERO
C=CC[N@@H+](CCC1CCC1)C(C)C	851730835	583190950	/nfs/dbraw/zinc/19/09/50/583190950.db2.gz	HFSATYMXWGTWNO-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@@H+](CCC=C(C)C)C(C)C	851730342	583191604	/nfs/dbraw/zinc/19/16/04/583191604.db2.gz	CKPGEOGSZPHTPM-UHFFFAOYSA-N	1	0	181.323	3.239	10	30		AGEERO
C#C[C@](C)(CC)[NH2+][C@H](C)CCCC=C	852102428	583204304	/nfs/dbraw/zinc/20/43/04/583204304.db2.gz	XXRHHPLCIDWQIH-CHWSQXEVSA-N	1	0	193.334	3.123	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+][C@H](C)CCCC=C	852102429	583204253	/nfs/dbraw/zinc/20/42/53/583204253.db2.gz	XXRHHPLCIDWQIH-OLZOCXBDSA-N	1	0	193.334	3.123	10	30		AGEERO
C#C[C@](C)(CC)[NH2+][C@@H](C)CCCC=C	852102430	583204257	/nfs/dbraw/zinc/20/42/57/583204257.db2.gz	XXRHHPLCIDWQIH-QWHCGFSZSA-N	1	0	193.334	3.123	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+][C@@H](C)CCCC=C	852102431	583204387	/nfs/dbraw/zinc/20/43/87/583204387.db2.gz	XXRHHPLCIDWQIH-STQMWFEESA-N	1	0	193.334	3.123	10	30		AGEERO
C#CCCC[N@H+]1[C@@H](C)CCC[C@H]1CC	852711534	583210777	/nfs/dbraw/zinc/21/07/77/583210777.db2.gz	FYDNRKLEDGCVLC-QWHCGFSZSA-N	1	0	193.334	3.053	10	30		AGEERO
C=C(Cl)C[N@H+]1C[C@@H]2CCCC[C@@]21C	860047706	583282631	/nfs/dbraw/zinc/28/26/31/583282631.db2.gz	HCXYISXWLURNMF-QWRGUYRKSA-N	1	0	199.725	3.003	10	30		AGEERO
C=C(Cl)C[N@@H+]1CCCC2(CC1)CC2	860074261	583282707	/nfs/dbraw/zinc/28/27/07/583282707.db2.gz	USAGHCMXQPMFGM-UHFFFAOYSA-N	1	0	199.725	3.005	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1F	866449757	583330995	/nfs/dbraw/zinc/33/09/95/583330995.db2.gz	HFMOVOSTGWXVHH-SDDRHHMPSA-N	1	0	199.313	3.211	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1CCCC[C@@H]1F	866449756	583331146	/nfs/dbraw/zinc/33/11/46/583331146.db2.gz	HFMOVOSTGWXVHH-GRYCIOLGSA-N	1	0	199.313	3.211	10	30		AGEERO
CCCCCCC[NH2+]Cc1ccoc1	122203084	583337180	/nfs/dbraw/zinc/33/71/80/583337180.db2.gz	ZXIHZSHERCCOSS-UHFFFAOYSA-N	1	0	195.306	3.340	10	30		AGEERO
CC[C@H]([NH2+]CCCC#N)C(C)(C)CC	872060476	583359245	/nfs/dbraw/zinc/35/92/45/583359245.db2.gz	QJTSOBDJFSWLNL-NSHDSACASA-N	1	0	196.338	3.095	10	30		AGEERO
CC[C@@H]([NH2+]CCCC#N)C(C)(C)CC	872060467	583359554	/nfs/dbraw/zinc/35/95/54/583359554.db2.gz	QJTSOBDJFSWLNL-LLVKDONJSA-N	1	0	196.338	3.095	10	30		AGEERO
C=CC(C)(C)CCC[NH2+]CC1(F)CC1	873151869	583371388	/nfs/dbraw/zinc/37/13/88/583371388.db2.gz	RJFKIUODKCJKHJ-UHFFFAOYSA-N	1	0	199.313	3.071	10	30		AGEERO
C#CCCCCCC[N@@H+](CC)C1CC1	876575775	583388175	/nfs/dbraw/zinc/38/81/75/583388175.db2.gz	SEUIQUWJJHLVBW-UHFFFAOYSA-N	1	0	193.334	3.054	10	30		AGEERO
C#CCCCCCC[N@@H+](C)C1CCC1	876745902	583388440	/nfs/dbraw/zinc/38/84/40/583388440.db2.gz	SCORBQULYMONRT-UHFFFAOYSA-N	1	0	193.334	3.054	10	30		AGEERO
C#CCCCCCC[N@H+]1CCC1(C)C	876744422	583388447	/nfs/dbraw/zinc/38/84/47/583388447.db2.gz	SHNWRMUEWSARRS-UHFFFAOYSA-N	1	0	193.334	3.054	10	30		AGEERO
C#CCCCCCC[NH+]1[C@H](C)C[C@H]1C	877487339	583393681	/nfs/dbraw/zinc/39/36/81/583393681.db2.gz	SVVKRSGCIREJEV-CHWSQXEVSA-N	1	0	193.334	3.053	10	30		AGEERO
C#CCCCCCC[N@@H+](C)CCC=C	877465786	583393963	/nfs/dbraw/zinc/39/39/63/583393963.db2.gz	XCVMZSUCOKSZKC-UHFFFAOYSA-N	1	0	193.334	3.078	10	30		AGEERO
C#CCCCCCC[NH+]1[C@@H](C)C[C@@H]1C	877487340	583394232	/nfs/dbraw/zinc/39/42/32/583394232.db2.gz	SVVKRSGCIREJEV-STQMWFEESA-N	1	0	193.334	3.053	10	30		AGEERO
C#CCCCCCC[N@@H+]1[C@@H](C)C[C@H]1C	877487337	583394646	/nfs/dbraw/zinc/39/46/46/583394646.db2.gz	SVVKRSGCIREJEV-BETUJISGSA-N	1	0	193.334	3.053	10	30		AGEERO
C#CCCCCCC[N@H+]1CC[C@H]1CC	877547772	583395169	/nfs/dbraw/zinc/39/51/69/583395169.db2.gz	JSFKKGLPIKHUSB-CYBMUJFWSA-N	1	0	193.334	3.054	10	30		AGEERO
C#CCCCCCC[N@H+]1CC[C@@H]1CC	877547773	583395729	/nfs/dbraw/zinc/39/57/29/583395729.db2.gz	JSFKKGLPIKHUSB-ZDUSSCGKSA-N	1	0	193.334	3.054	10	30		AGEERO
C=CC[C@@H](C)[N@H+](C)Cc1cccs1	877932499	583399532	/nfs/dbraw/zinc/39/95/32/583399532.db2.gz	RWSHAWYYIKRCPT-SNVBAGLBSA-N	1	0	195.331	3.145	10	30		AGEERO
C=CC[C@H](C)[N@H+](C)Cc1ccccc1	877933759	583399767	/nfs/dbraw/zinc/39/97/67/583399767.db2.gz	RDKOEEHRYWHGJO-LBPRGKRZSA-N	1	0	189.302	3.083	10	30		AGEERO
C=CC[C@H](C)[N@H+](C)Cc1cccs1	877932498	583399884	/nfs/dbraw/zinc/39/98/84/583399884.db2.gz	RWSHAWYYIKRCPT-JTQLQIEISA-N	1	0	195.331	3.145	10	30		AGEERO
C=CC[C@H](C)[N@H+](C)Cc1ccsc1	877922839	583399890	/nfs/dbraw/zinc/39/98/90/583399890.db2.gz	YQSIIURRCLQZTH-JTQLQIEISA-N	1	0	195.331	3.145	10	30		AGEERO
C=CC[C@@H](C)[N@H+](C)Cc1ccccc1	877933758	583400223	/nfs/dbraw/zinc/40/02/23/583400223.db2.gz	RDKOEEHRYWHGJO-GFCCVEGCSA-N	1	0	189.302	3.083	10	30		AGEERO
C=CC[C@@H](C)[N@H+](C)Cc1ccsc1	877922845	583400348	/nfs/dbraw/zinc/40/03/48/583400348.db2.gz	YQSIIURRCLQZTH-SNVBAGLBSA-N	1	0	195.331	3.145	10	30		AGEERO
C#CCCCCC[N@@H+](C(C)C)C1CC1	877964386	583402113	/nfs/dbraw/zinc/40/21/13/583402113.db2.gz	HGYRLNHPXDHKCW-UHFFFAOYSA-N	1	0	193.334	3.053	10	30		AGEERO
C=CC[C@H](C)[N@H+](CC)Cc1ccoc1	878036851	583402593	/nfs/dbraw/zinc/40/25/93/583402593.db2.gz	RASPQKBKQUBOHV-NSHDSACASA-N	1	0	193.290	3.066	10	30		AGEERO
C=CC[C@@H](C)[N@H+](CC)Cc1ccoc1	878036849	583402732	/nfs/dbraw/zinc/40/27/32/583402732.db2.gz	RASPQKBKQUBOHV-LLVKDONJSA-N	1	0	193.290	3.066	10	30		AGEERO
C=CC[C@H](C)[N@H+](CC)CC1CCC1	878543154	583412509	/nfs/dbraw/zinc/41/25/09/583412509.db2.gz	WFRNTYASQWUHRX-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[N@H+](CC)CC1CCC1	878543143	583412555	/nfs/dbraw/zinc/41/25/55/583412555.db2.gz	WFRNTYASQWUHRX-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@H](CCF)C1	878949832	583415889	/nfs/dbraw/zinc/41/58/89/583415889.db2.gz	QDBRNPXHYXCOQO-VXGBXAGGSA-N	1	0	199.313	3.023	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@@H](CCF)C1	878949830	583416216	/nfs/dbraw/zinc/41/62/16/583416216.db2.gz	QDBRNPXHYXCOQO-RYUDHWBXSA-N	1	0	199.313	3.023	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CCF)C1	878949824	583416242	/nfs/dbraw/zinc/41/62/42/583416242.db2.gz	QDBRNPXHYXCOQO-NEPJUHHUSA-N	1	0	199.313	3.023	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@H](CCF)C1	878949829	583416437	/nfs/dbraw/zinc/41/64/37/583416437.db2.gz	QDBRNPXHYXCOQO-NWDGAFQWSA-N	1	0	199.313	3.023	10	30		AGEERO
C=CC[C@@H](C)[NH+]1CCC(CCF)CC1	879210990	583417029	/nfs/dbraw/zinc/41/70/29/583417029.db2.gz	LYDQSRQYWMOHSD-LLVKDONJSA-N	1	0	199.313	3.023	10	30		AGEERO
C=CC[C@H](C)[NH+]1CCC(CCF)CC1	879210991	583417621	/nfs/dbraw/zinc/41/76/21/583417621.db2.gz	LYDQSRQYWMOHSD-NSHDSACASA-N	1	0	199.313	3.023	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@H](CF)C1	880237742	583427542	/nfs/dbraw/zinc/42/75/42/583427542.db2.gz	GIVWJTIOAOOEOA-GFCCVEGCSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@@H](CF)C1	880237743	583428654	/nfs/dbraw/zinc/42/86/54/583428654.db2.gz	GIVWJTIOAOOEOA-LBPRGKRZSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CC[N@@H+]1C[C@@H]2CC[C@H]1c1ccccc12	880539688	583436788	/nfs/dbraw/zinc/43/67/88/583436788.db2.gz	CTUNKCFBPFAMOU-FZMZJTMJSA-N	1	0	199.297	3.107	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C1(C2CC2)CCC1	886825023	583501233	/nfs/dbraw/zinc/50/12/33/583501233.db2.gz	KYSYAVJHNMYFRV-NSHDSACASA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]C1(C2CC2)CCC1	886825022	583501804	/nfs/dbraw/zinc/50/18/04/583501804.db2.gz	KYSYAVJHNMYFRV-LLVKDONJSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCCC[NH2+]C1(C2CC2)CCC1	887148577	583507910	/nfs/dbraw/zinc/50/79/10/583507910.db2.gz	KLAMDZZODWCTCC-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCCC[C@@H]1C(C)C	126050820	490035856	/nfs/dbraw/zinc/03/58/56/490035856.db2.gz	VKEMOZBSQLHGHB-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCCC[C@H]1C(C)C	126050599	490036007	/nfs/dbraw/zinc/03/60/07/490036007.db2.gz	VKEMOZBSQLHGHB-QWHCGFSZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCCC[C@H]1C(C)C	126050136	490036047	/nfs/dbraw/zinc/03/60/47/490036047.db2.gz	VKEMOZBSQLHGHB-STQMWFEESA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCCC[C@@H]1C(C)C	126050412	490036424	/nfs/dbraw/zinc/03/64/24/490036424.db2.gz	VKEMOZBSQLHGHB-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H](CC)C(C)C	126792848	490039154	/nfs/dbraw/zinc/03/91/54/490039154.db2.gz	NPLIWSBPKAXRMP-NWDGAFQWSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H](CC)C(C)C	126793280	490039167	/nfs/dbraw/zinc/03/91/67/490039167.db2.gz	NPLIWSBPKAXRMP-VXGBXAGGSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H](CC)C(C)C	126793053	490039175	/nfs/dbraw/zinc/03/91/75/490039175.db2.gz	NPLIWSBPKAXRMP-NEPJUHHUSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H](CC)C(C)C	126792630	490039380	/nfs/dbraw/zinc/03/93/80/490039380.db2.gz	NPLIWSBPKAXRMP-RYUDHWBXSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]C[C@@H](C)C(C)C	126847631	490039748	/nfs/dbraw/zinc/03/97/48/490039748.db2.gz	VYYYNBMJKPELAA-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C[C@H](C)C(C)C	126847009	490039935	/nfs/dbraw/zinc/03/99/35/490039935.db2.gz	VYYYNBMJKPELAA-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C[C@@H](C)C(C)C	126847179	490039994	/nfs/dbraw/zinc/03/99/94/490039994.db2.gz	VYYYNBMJKPELAA-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]C[C@H](C)C(C)C	126847417	490040041	/nfs/dbraw/zinc/04/00/41/490040041.db2.gz	VYYYNBMJKPELAA-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC(C)(C)C1	128981662	490047397	/nfs/dbraw/zinc/04/73/97/490047397.db2.gz	FUKHHXGMWYZYRR-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC(C)(C)C1	128981883	490047432	/nfs/dbraw/zinc/04/74/32/490047432.db2.gz	FUKHHXGMWYZYRR-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]1CCC	300359181	490094036	/nfs/dbraw/zinc/09/40/36/490094036.db2.gz	GAEBFBQZNHIPHH-QJPTWQEYSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCCC[NH2+]C1C[C@@H](C)C[C@H](C)C1	82835126	491022744	/nfs/dbraw/zinc/02/27/44/491022744.db2.gz	KRWFMVNMMQYNTC-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+]C1C[C@H](C)C[C@@H](C)C1	82835127	491022751	/nfs/dbraw/zinc/02/27/51/491022751.db2.gz	KRWFMVNMMQYNTC-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC	60715824	491021287	/nfs/dbraw/zinc/02/12/87/491021287.db2.gz	CXUSRBMNLUZINX-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC	60715826	491021298	/nfs/dbraw/zinc/02/12/98/491021298.db2.gz	CXUSRBMNLUZINX-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]1[NH2+]CCC	60715823	491021371	/nfs/dbraw/zinc/02/13/71/491021371.db2.gz	CXUSRBMNLUZINX-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCC	60715828	491021373	/nfs/dbraw/zinc/02/13/73/491021373.db2.gz	CXUSRBMNLUZINX-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@H](C)[C@@H](C)C1	84837036	491026628	/nfs/dbraw/zinc/02/66/28/491026628.db2.gz	PLDGXVRHOWHFDD-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1	84837035	491026643	/nfs/dbraw/zinc/02/66/43/491026643.db2.gz	PLDGXVRHOWHFDD-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[NH2+]C(CC)(CC)CC	84901679	491026753	/nfs/dbraw/zinc/02/67/53/491026753.db2.gz	HZQJCZAMEOIQHZ-UHFFFAOYSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCC[NH2+]Cc1sccc1C	87310182	491030606	/nfs/dbraw/zinc/03/06/06/491030606.db2.gz	YQCWIWQVVQNIFJ-UHFFFAOYSA-N	1	0	195.331	3.112	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)c1cccc(C)c1	88162231	491033231	/nfs/dbraw/zinc/03/32/31/491033231.db2.gz	HISJQUDJKXSDQS-GFCCVEGCSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)c1cccc(C)c1	88162285	491033256	/nfs/dbraw/zinc/03/32/56/491033256.db2.gz	HISJQUDJKXSDQS-LBPRGKRZSA-N	1	0	189.302	3.222	10	30		AGEERO
C=C(C[NH2+][C@H](C)CC)c1ccccc1	132309615	491036165	/nfs/dbraw/zinc/03/61/65/491036165.db2.gz	ADXYDWNNKSYBRJ-GFCCVEGCSA-N	1	0	189.302	3.088	10	30		AGEERO
C=C(C[NH2+][C@@H](C)CC)c1ccccc1	132309839	491036166	/nfs/dbraw/zinc/03/61/66/491036166.db2.gz	ADXYDWNNKSYBRJ-LBPRGKRZSA-N	1	0	189.302	3.088	10	30		AGEERO
C=CCC[NH+]1CCC(C(C)(C)C)CC1	200505606	491040233	/nfs/dbraw/zinc/04/02/33/491040233.db2.gz	NGKRGIODTCRHSZ-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[NH+](CC=C)CCC(C)(C)C	223395834	491041303	/nfs/dbraw/zinc/04/13/03/491041303.db2.gz	FQNPIIOYUDWONR-UHFFFAOYSA-N	1	0	181.323	3.097	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C[C@@H]1C	228297089	491044572	/nfs/dbraw/zinc/04/45/72/491044572.db2.gz	GMIDVVBWFDGMOY-MROQNXINSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[NH2+]C[C@@H]1CCC[C@H](C)C1	228730949	491044736	/nfs/dbraw/zinc/04/47/36/491044736.db2.gz	GTCFVGDVAYJYES-QWHCGFSZSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+]C[C@H]1CCC[C@H](C)C1	228730958	491044765	/nfs/dbraw/zinc/04/47/65/491044765.db2.gz	GTCFVGDVAYJYES-STQMWFEESA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+]C[C@H]1CCC[C@@H](C)C1	228730945	491044779	/nfs/dbraw/zinc/04/47/79/491044779.db2.gz	GTCFVGDVAYJYES-OLZOCXBDSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[NH2+]C[C@@H]1CCC[C@@H](C)C1	228730937	491044813	/nfs/dbraw/zinc/04/48/13/491044813.db2.gz	GTCFVGDVAYJYES-CHWSQXEVSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C	227710674	491043810	/nfs/dbraw/zinc/04/38/10/491043810.db2.gz	CGQQOULHWGMDKL-MROQNXINSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[NH2+]CC(C(C)C)C(C)C	229550883	491045371	/nfs/dbraw/zinc/04/53/71/491045371.db2.gz	YSMISVSKEHSCRZ-UHFFFAOYSA-N	1	0	197.366	3.470	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@@H]1CC(C)=C[C@H](C)C1	300010859	491045926	/nfs/dbraw/zinc/04/59/26/491045926.db2.gz	HSQDZRRWLKZSNY-DRZSPHRISA-N	1	0	193.334	3.143	10	30		AGEERO
C=C[C@H](C)[NH2+]C[C@H]1CC(C)=C[C@H](C)C1	300010861	491045940	/nfs/dbraw/zinc/04/59/40/491045940.db2.gz	HSQDZRRWLKZSNY-WCFLWFBJSA-N	1	0	193.334	3.143	10	30		AGEERO
C=C(C)CC[N@H+]1CCCC[C@@H](C)C1	306594703	491053816	/nfs/dbraw/zinc/05/38/16/491053816.db2.gz	DPMCTIWPBYNBAJ-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(C)CC[N@H+]1CCCC[C@H](C)C1	306594708	491053894	/nfs/dbraw/zinc/05/38/94/491053894.db2.gz	DPMCTIWPBYNBAJ-LBPRGKRZSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@@H](C)[C@H]1C	307318789	491060669	/nfs/dbraw/zinc/06/06/69/491060669.db2.gz	RGJQERACJXNOKY-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@H](C)[C@@H]1C	307318788	491060659	/nfs/dbraw/zinc/06/06/59/491060659.db2.gz	RGJQERACJXNOKY-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@H](C)[C@H]1C	307318787	491060662	/nfs/dbraw/zinc/06/06/62/491060662.db2.gz	RGJQERACJXNOKY-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@@H](C)[C@@H]1C	307318786	491060674	/nfs/dbraw/zinc/06/06/74/491060674.db2.gz	RGJQERACJXNOKY-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@@H](C)CC[C@H]1C	307377711	491061238	/nfs/dbraw/zinc/06/12/38/491061238.db2.gz	CHMJLMXBMZXCBJ-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@H](C)CC[C@H]1C	307377720	491061272	/nfs/dbraw/zinc/06/12/72/491061272.db2.gz	CHMJLMXBMZXCBJ-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@@H](C)CC[C@@H]1C	307377714	491061289	/nfs/dbraw/zinc/06/12/89/491061289.db2.gz	CHMJLMXBMZXCBJ-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@H](C)CC[C@@H]1C	307377709	491061297	/nfs/dbraw/zinc/06/12/97/491061297.db2.gz	CHMJLMXBMZXCBJ-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[N@@H+]1CCCCC[C@H]1C	307658875	491066507	/nfs/dbraw/zinc/06/65/07/491066507.db2.gz	CHVABHILMJZUEQ-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(CC)C[N@@H+]1CCCCC[C@@H]1C	307658878	491066660	/nfs/dbraw/zinc/06/66/60/491066660.db2.gz	CHVABHILMJZUEQ-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)CC[N@H+]1CCCCC[C@H]1C	307742137	491069520	/nfs/dbraw/zinc/06/95/20/491069520.db2.gz	KDVRNIMWUVUIIT-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)CC[N@H+]1CCCCC[C@@H]1C	307742138	491069596	/nfs/dbraw/zinc/06/95/96/491069596.db2.gz	KDVRNIMWUVUIIT-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+](C)CCC	307990890	491074951	/nfs/dbraw/zinc/07/49/51/491074951.db2.gz	SZRMGRBZLXVGIF-NSHDSACASA-N	1	0	169.312	3.073	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+](C)CCC	307990887	491074993	/nfs/dbraw/zinc/07/49/93/491074993.db2.gz	SZRMGRBZLXVGIF-LLVKDONJSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CCCC[C@H](C)[NH+](CC)CC	308006654	491075839	/nfs/dbraw/zinc/07/58/39/491075839.db2.gz	DLJZUYBFQWNHOH-NSHDSACASA-N	1	0	169.312	3.073	10	30		AGEERO
C=CCCC[C@@H](C)[NH+](CC)CC	308006649	491075858	/nfs/dbraw/zinc/07/58/58/491075858.db2.gz	DLJZUYBFQWNHOH-LLVKDONJSA-N	1	0	169.312	3.073	10	30		AGEERO
C=C(C)CC[NH+](C(C)C)C(C)C	308123498	491078670	/nfs/dbraw/zinc/07/86/70/491078670.db2.gz	SOQLQPJKHUWQTH-UHFFFAOYSA-N	1	0	169.312	3.071	10	30		AGEERO
C=CC[N@@H+](C)CC(C(C)C)C(C)C	308130338	491079053	/nfs/dbraw/zinc/07/90/53/491079053.db2.gz	AMYAGPKPJZLHIQ-UHFFFAOYSA-N	1	0	183.339	3.032	10	30		AGEERO
C=CC[N@H+]1CCC[C@@H]1CCC(C)C	308140561	491080005	/nfs/dbraw/zinc/08/00/05/491080005.db2.gz	IFAWDMOAYRYMSD-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@H+]1CCC[C@H]1CCC(C)C	308140564	491080031	/nfs/dbraw/zinc/08/00/31/491080031.db2.gz	IFAWDMOAYRYMSD-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+]1CCCC[C@@H]1CC	308152704	491081162	/nfs/dbraw/zinc/08/11/62/491081162.db2.gz	ACAGVEPFOKREPJ-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)CC[N@H+]1CCCC[C@H]1CC	308152703	491081247	/nfs/dbraw/zinc/08/12/47/491081247.db2.gz	ACAGVEPFOKREPJ-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[NH2+][C@@H](C)[C@@H](C)CC=C	308155029	491081356	/nfs/dbraw/zinc/08/13/56/491081356.db2.gz	QPMAKKXSLRMNAV-RYUDHWBXSA-N	1	0	181.323	3.143	10	30		AGEERO
C=CCCC[NH2+][C@H](C)[C@H](C)CC=C	308155030	491081357	/nfs/dbraw/zinc/08/13/57/491081357.db2.gz	QPMAKKXSLRMNAV-VXGBXAGGSA-N	1	0	181.323	3.143	10	30		AGEERO
C=CCCC[NH2+][C@H](C)[C@@H](C)CC=C	308155028	491081407	/nfs/dbraw/zinc/08/14/07/491081407.db2.gz	QPMAKKXSLRMNAV-NWDGAFQWSA-N	1	0	181.323	3.143	10	30		AGEERO
C=CCCC[NH2+][C@@H](C)[C@H](C)CC=C	308155027	491081416	/nfs/dbraw/zinc/08/14/16/491081416.db2.gz	QPMAKKXSLRMNAV-NEPJUHHUSA-N	1	0	181.323	3.143	10	30		AGEERO
C=CCCC[N@@H+](CC)CC1CCC1	308212181	491084569	/nfs/dbraw/zinc/08/45/69/491084569.db2.gz	GZCOFWWXIMMNHR-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(C)C[N@H+](CC)CCCCCF	308172366	491082463	/nfs/dbraw/zinc/08/24/63/491082463.db2.gz	BUWXSNOTONGRMD-UHFFFAOYSA-N	1	0	187.302	3.024	10	30		AGEERO
C=C(CC)C[N@H+](C)[C@@H](C)C(C)(C)C	308176048	491082634	/nfs/dbraw/zinc/08/26/34/491082634.db2.gz	FHSFCAGMYZFRDQ-NSHDSACASA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(CC)C[N@H+](C)[C@H](C)C(C)(C)C	308176047	491082662	/nfs/dbraw/zinc/08/26/62/491082662.db2.gz	FHSFCAGMYZFRDQ-LLVKDONJSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@H](CC)C1	308173654	491082682	/nfs/dbraw/zinc/08/26/82/491082682.db2.gz	CKLNPTNTQQZWCD-LBPRGKRZSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(C)CC[N@H+]1CCC[C@@H](CC)C1	308173653	491082775	/nfs/dbraw/zinc/08/27/75/491082775.db2.gz	CKLNPTNTQQZWCD-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C[C@H](C)[NH2+][C@@H](C)CCC(C)(C)C	308185855	491083100	/nfs/dbraw/zinc/08/31/00/491083100.db2.gz	JSGGKUPIPHPGAP-QWRGUYRKSA-N	1	0	183.339	3.365	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@@H](C)CCC(C)(C)C	308185854	491083175	/nfs/dbraw/zinc/08/31/75/491083175.db2.gz	JSGGKUPIPHPGAP-MNOVXSKESA-N	1	0	183.339	3.365	10	30		AGEERO
C=C[C@H](C)[NH2+][C@H](C)CCC(C)(C)C	308186060	491083192	/nfs/dbraw/zinc/08/31/92/491083192.db2.gz	JSGGKUPIPHPGAP-WDEREUQCSA-N	1	0	183.339	3.365	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@H](C)CCC(C)(C)C	308185853	491083201	/nfs/dbraw/zinc/08/32/01/491083201.db2.gz	JSGGKUPIPHPGAP-GHMZBOCLSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CCCCC[NH2+][C@H](C)CC(C)C	308208820	491084474	/nfs/dbraw/zinc/08/44/74/491084474.db2.gz	JYNBUKWDLOYVSR-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCCC[NH2+][C@@H](C)CC(C)C	308208836	491084475	/nfs/dbraw/zinc/08/44/75/491084475.db2.gz	JYNBUKWDLOYVSR-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC1CC[NH+]([C@@H](C)CCC)CC1	308212748	491084543	/nfs/dbraw/zinc/08/45/43/491084543.db2.gz	HJCSRSRDJSREOQ-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC1CC[NH+]([C@H](C)CCC)CC1	308212746	491084584	/nfs/dbraw/zinc/08/45/84/491084584.db2.gz	HJCSRSRDJSREOQ-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[NH+](CC=C)C[C@H](C)CCC	308213528	491084874	/nfs/dbraw/zinc/08/48/74/491084874.db2.gz	HTXIFSCKQKTGNK-GFCCVEGCSA-N	1	0	181.323	3.097	10	30		AGEERO
C=CC[NH+](CC=C)C[C@@H](C)CCC	308213529	491084995	/nfs/dbraw/zinc/08/49/95/491084995.db2.gz	HTXIFSCKQKTGNK-LBPRGKRZSA-N	1	0	181.323	3.097	10	30		AGEERO
C=CCCC[N@H+]1CCCC[C@H](C)C1	308220907	491085567	/nfs/dbraw/zinc/08/55/67/491085567.db2.gz	CERLWEDAZJRZCJ-LBPRGKRZSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCC[N@@H+](C)CCC1CCCC1	308221859	491085572	/nfs/dbraw/zinc/08/55/72/491085572.db2.gz	CVPKCSOVJZFAHP-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[N@H+]1CCCC[C@@H](C)C1	308220904	491085721	/nfs/dbraw/zinc/08/57/21/491085721.db2.gz	CERLWEDAZJRZCJ-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[C@@H](C)[N@H+](C)CC1CC1	308230576	491086578	/nfs/dbraw/zinc/08/65/78/491086578.db2.gz	GLSOZTPQNOUARU-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[C@H](C)[N@H+](C)CC1CC1	308230582	491086586	/nfs/dbraw/zinc/08/65/86/491086586.db2.gz	GLSOZTPQNOUARU-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCCC[N@H+]1CCC[C@H]1C	308249685	491088316	/nfs/dbraw/zinc/08/83/16/491088316.db2.gz	GYISIZBIPPJWKP-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCCC[N@H+]1CCC[C@@H]1C	308249690	491088413	/nfs/dbraw/zinc/08/84/13/491088413.db2.gz	GYISIZBIPPJWKP-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CC[C@@H](C)C1	308261874	491089611	/nfs/dbraw/zinc/08/96/11/491089611.db2.gz	NRAREEIPOSGKHE-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[NH2+]C(C(C)C)C(C)C	308259767	491089645	/nfs/dbraw/zinc/08/96/45/491089645.db2.gz	MVTWHTKWAJFHSA-UHFFFAOYSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@H](C)C1	308261872	491089676	/nfs/dbraw/zinc/08/96/76/491089676.db2.gz	NRAREEIPOSGKHE-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@@H](C)C1	308261869	491089740	/nfs/dbraw/zinc/08/97/40/491089740.db2.gz	NRAREEIPOSGKHE-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[C@@H](C)[N@@H+]1CC[C@H](C)C1	308261870	491089766	/nfs/dbraw/zinc/08/97/66/491089766.db2.gz	NRAREEIPOSGKHE-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[NH2+][C@H](C)CCC1CC1	308267580	491090274	/nfs/dbraw/zinc/09/02/74/491090274.db2.gz	QNWILVOZAWSHKL-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H](C)CCC1CC1	308267581	491090374	/nfs/dbraw/zinc/09/03/74/491090374.db2.gz	QNWILVOZAWSHKL-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)CC[N@@H+](C)[C@H](C)C(C)(C)C	308272491	491090991	/nfs/dbraw/zinc/09/09/91/491090991.db2.gz	SRPHKWUZEGILOQ-LLVKDONJSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(C)CC[N@@H+](C)[C@@H](C)C(C)(C)C	308272492	491091079	/nfs/dbraw/zinc/09/10/79/491091079.db2.gz	SRPHKWUZEGILOQ-NSHDSACASA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCCC[C@@H](C)[NH+]1CCCCC1	308274434	491091329	/nfs/dbraw/zinc/09/13/29/491091329.db2.gz	UNTQXZLFSSDLCX-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[C@H](C)[NH+]1CCCCC1	308274435	491091344	/nfs/dbraw/zinc/09/13/44/491091344.db2.gz	UNTQXZLFSSDLCX-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[N@@H+](C)CC1(C)CCC1	308279378	491091881	/nfs/dbraw/zinc/09/18/81/491091881.db2.gz	XEVBKTZGBNRFJL-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[N@@H+](CC)C[C@@H](C)CC	308287126	491092818	/nfs/dbraw/zinc/09/28/18/491092818.db2.gz	DYSSQTXUVDKNSM-LBPRGKRZSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CCCC[N@@H+](CC)C[C@H](C)CC	308287121	491092858	/nfs/dbraw/zinc/09/28/58/491092858.db2.gz	DYSSQTXUVDKNSM-GFCCVEGCSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC=C(C)CC1	308301151	491094405	/nfs/dbraw/zinc/09/44/05/491094405.db2.gz	MAAKJHSSSSOQMG-GFCCVEGCSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC=C(C)CC1	308301152	491094415	/nfs/dbraw/zinc/09/44/15/491094415.db2.gz	MAAKJHSSSSOQMG-LBPRGKRZSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CCCC[N@H+](C)CCCCCF	308317055	491096140	/nfs/dbraw/zinc/09/61/40/491096140.db2.gz	XRUHHCUILAWARQ-UHFFFAOYSA-N	1	0	187.302	3.024	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@@H](C)CC(C)C	308320686	491096462	/nfs/dbraw/zinc/09/64/62/491096462.db2.gz	YIIBKYMMCWLEAT-RYUDHWBXSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@@H](CC)[NH2+][C@H](C)CC(C)C	308320687	491096483	/nfs/dbraw/zinc/09/64/83/491096483.db2.gz	YIIBKYMMCWLEAT-VXGBXAGGSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@@H](CC)[NH2+][C@@H](C)CC(C)C	308320685	491096510	/nfs/dbraw/zinc/09/65/10/491096510.db2.gz	YIIBKYMMCWLEAT-NWDGAFQWSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@H](C)CC(C)C	308320684	491096526	/nfs/dbraw/zinc/09/65/26/491096526.db2.gz	YIIBKYMMCWLEAT-NEPJUHHUSA-N	1	0	183.339	3.365	10	30		AGEERO
C=C(C)C[N@@H+](C)CCC(C)(C)CC	308322661	491096640	/nfs/dbraw/zinc/09/66/40/491096640.db2.gz	ZQKINRGHNWZYIN-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=C(C)CC[NH2+][C@@H](CC)C(C)(C)C	308332463	491098043	/nfs/dbraw/zinc/09/80/43/491098043.db2.gz	JMFDLPXVQCNLCM-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CC[N@@H+](CC)[C@@H](C)C(C)C	308324401	491096918	/nfs/dbraw/zinc/09/69/18/491096918.db2.gz	DLZIYSRSDBJTKY-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(C)CC[N@@H+](CC)[C@H](C)C(C)C	308324400	491097053	/nfs/dbraw/zinc/09/70/53/491097053.db2.gz	DLZIYSRSDBJTKY-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
C=C(C)CC[N@@H+](CCCC)C1CC1	308325851	491097110	/nfs/dbraw/zinc/09/71/10/491097110.db2.gz	FHDDEKIEEDCVQP-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)CC[N@@H+](CC)C1CCCC1	308325711	491097135	/nfs/dbraw/zinc/09/71/35/491097135.db2.gz	FFIVKSAXWHVYDR-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCCC[NH+]1[C@@H](C)C[C@@H]1C	308326109	491097160	/nfs/dbraw/zinc/09/71/60/491097160.db2.gz	GCOBZFDNGFMWGA-RYUDHWBXSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCCCC[NH+]1[C@H](C)C[C@H]1C	308326111	491097169	/nfs/dbraw/zinc/09/71/69/491097169.db2.gz	GCOBZFDNGFMWGA-VXGBXAGGSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCCCC[N@@H+]1[C@@H](C)C[C@H]1C	308326110	491097179	/nfs/dbraw/zinc/09/71/79/491097179.db2.gz	GCOBZFDNGFMWGA-TXEJJXNPSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(C)CC[NH+]1CCC(CC)CC1	308327770	491097331	/nfs/dbraw/zinc/09/73/31/491097331.db2.gz	GQHYUWJWHVOWIA-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[N@@H+](C)CC/C=C/CC	308327496	491097346	/nfs/dbraw/zinc/09/73/46/491097346.db2.gz	GLYHSLXAFNNIRP-SOFGYWHQSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CCCCC[NH2+]CC1(C)CCC1	308328316	491097350	/nfs/dbraw/zinc/09/73/50/491097350.db2.gz	IMCQTLZZTHOBAC-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=CCCC[NH2+][C@H](CC)C(C)(C)C	308327813	491097357	/nfs/dbraw/zinc/09/73/57/491097357.db2.gz	GSHXYMXFGUICAA-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H](CC)C(C)(C)C	308327814	491097385	/nfs/dbraw/zinc/09/73/85/491097385.db2.gz	GSHXYMXFGUICAA-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[N@@H+](C)CC/C=C\CC	308327497	491097423	/nfs/dbraw/zinc/09/74/23/491097423.db2.gz	GLYHSLXAFNNIRP-VURMDHGXSA-N	1	0	181.323	3.241	10	30		AGEERO
C=C(C)CC[NH2+][C@H](CC)C(C)(C)C	308332461	491097965	/nfs/dbraw/zinc/09/79/65/491097965.db2.gz	JMFDLPXVQCNLCM-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[N@@H+](C)CCCC(C)C	308345934	491098202	/nfs/dbraw/zinc/09/82/02/491098202.db2.gz	VIMQBLCAEFQWGZ-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=C1CC[NH+](C[C@@H](C)CCC)CC1	308379609	491099800	/nfs/dbraw/zinc/09/98/00/491099800.db2.gz	UGBYQAWNKVGSBK-LBPRGKRZSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CC[C@H](CC)[NH2+]C[C@H](C)CCC	308362682	491098842	/nfs/dbraw/zinc/09/88/42/491098842.db2.gz	MTMYASXLWJWZMJ-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@@H](CC)[NH2+]C[C@H](C)CCC	308362693	491098860	/nfs/dbraw/zinc/09/88/60/491098860.db2.gz	MTMYASXLWJWZMJ-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@H](CC)[NH2+]C[C@@H](C)CCC	308362690	491098920	/nfs/dbraw/zinc/09/89/20/491098920.db2.gz	MTMYASXLWJWZMJ-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@@H](CC)[NH2+]C[C@@H](C)CCC	308362686	491098941	/nfs/dbraw/zinc/09/89/41/491098941.db2.gz	MTMYASXLWJWZMJ-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C1CC[NH+](C[C@H](C)CCC)CC1	308379607	491099888	/nfs/dbraw/zinc/09/98/88/491099888.db2.gz	UGBYQAWNKVGSBK-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(CC)C[N@@H+](CCCC)C1CC1	308396688	491100882	/nfs/dbraw/zinc/10/08/82/491100882.db2.gz	DRICYAYKKOWEDV-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[N@@H+](C)C1(C)CCCC1	308395817	491101025	/nfs/dbraw/zinc/10/10/25/491101025.db2.gz	DBULYJJIUVLQLF-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)CC[N@@H+](C)Cc1ccsc1	308400651	491101422	/nfs/dbraw/zinc/10/14/22/491101422.db2.gz	GVUZMGXZWBXWFS-UHFFFAOYSA-N	1	0	195.331	3.146	10	30		AGEERO
C=C(CC)C[NH2+][C@@H](CC)C(C)(C)C	308406147	491101869	/nfs/dbraw/zinc/10/18/69/491101869.db2.gz	JRQRSKSRBVDJDL-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@H](CC)C(C)(C)C	308406146	491101965	/nfs/dbraw/zinc/10/19/65/491101965.db2.gz	JRQRSKSRBVDJDL-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCCC[N@H+]1[C@@H](C)CC[C@@H]1CC	308448009	491104704	/nfs/dbraw/zinc/10/47/04/491104704.db2.gz	CAKYFHGYHAFNNG-RYUDHWBXSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCC[N@@H+](C)[C@H]1CCC(C)(C)C1	308446594	491104725	/nfs/dbraw/zinc/10/47/25/491104725.db2.gz	BLQTYZDQRLEUOJ-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@@H+]1[C@@H](CC)CC[C@H]1C	308449277	491104743	/nfs/dbraw/zinc/10/47/43/491104743.db2.gz	CNBKLFNIZJZZFJ-NEPJUHHUSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[N@@H+]1[C@@H](CC)CC[C@H]1C	308448005	491104751	/nfs/dbraw/zinc/10/47/51/491104751.db2.gz	CAKYFHGYHAFNNG-NEPJUHHUSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[N@H+]1[C@H](C)CC[C@H]1CC	308448011	491104756	/nfs/dbraw/zinc/10/47/56/491104756.db2.gz	CAKYFHGYHAFNNG-VXGBXAGGSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCC[N@@H+](C)[C@@H]1CCC(C)(C)C1	308446593	491104760	/nfs/dbraw/zinc/10/47/60/491104760.db2.gz	BLQTYZDQRLEUOJ-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@H+]1[C@@H](C)CC[C@H]1CC	308448007	491104819	/nfs/dbraw/zinc/10/48/19/491104819.db2.gz	CAKYFHGYHAFNNG-NWDGAFQWSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(C)CC[N@H+]1[C@@H](C)CC[C@H]1CC	308449278	491104888	/nfs/dbraw/zinc/10/48/88/491104888.db2.gz	CNBKLFNIZJZZFJ-NWDGAFQWSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(C)CC[N@H+]1[C@@H](C)CC[C@@H]1CC	308449279	491104942	/nfs/dbraw/zinc/10/49/42/491104942.db2.gz	CNBKLFNIZJZZFJ-RYUDHWBXSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(C)CC[N@H+]1[C@H](C)CC[C@H]1CC	308449280	491104977	/nfs/dbraw/zinc/10/49/77/491104977.db2.gz	CNBKLFNIZJZZFJ-VXGBXAGGSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC(C)(C)C[C@H]1C	308511444	491109389	/nfs/dbraw/zinc/10/93/89/491109389.db2.gz	CFWIEFNYJAQGRZ-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC(C)(C)C[C@H]1C	308511447	491109407	/nfs/dbraw/zinc/10/94/07/491109407.db2.gz	CFWIEFNYJAQGRZ-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC(C)(C)C[C@@H]1C	308511446	491109459	/nfs/dbraw/zinc/10/94/59/491109459.db2.gz	CFWIEFNYJAQGRZ-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC(C)(C)C[C@@H]1C	308511445	491109469	/nfs/dbraw/zinc/10/94/69/491109469.db2.gz	CFWIEFNYJAQGRZ-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H](CC)CCC=C	308483095	491106728	/nfs/dbraw/zinc/10/67/28/491106728.db2.gz	OBHFBEXZSQBSBA-LBPRGKRZSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCC[NH2+][C@H](CC)CCC=C	308483091	491106849	/nfs/dbraw/zinc/10/68/49/491106849.db2.gz	OBHFBEXZSQBSBA-GFCCVEGCSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@@H]1C(C)(C)C	308531507	491110506	/nfs/dbraw/zinc/11/05/06/491110506.db2.gz	RTADGDHQHHGTSP-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@H]1C(C)(C)C	308531505	491110539	/nfs/dbraw/zinc/11/05/39/491110539.db2.gz	RTADGDHQHHGTSP-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C	308531506	491110575	/nfs/dbraw/zinc/11/05/75/491110575.db2.gz	RTADGDHQHHGTSP-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@H]1C(C)(C)C	308531508	491110598	/nfs/dbraw/zinc/11/05/98/491110598.db2.gz	RTADGDHQHHGTSP-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CC[C@H]1C(C)(C)C	308581592	491112716	/nfs/dbraw/zinc/11/27/16/491112716.db2.gz	PJMGBZAPZFCGSV-TUAOUCFPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CC[C@@H]1C(C)(C)C	308581590	491112725	/nfs/dbraw/zinc/11/27/25/491112725.db2.gz	PJMGBZAPZFCGSV-SDDRHHMPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CC[C@H]1C(C)(C)C	308581589	491112755	/nfs/dbraw/zinc/11/27/55/491112755.db2.gz	PJMGBZAPZFCGSV-QJPTWQEYSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@H]1CC[C@@H]1C(C)(C)C	308581591	491112767	/nfs/dbraw/zinc/11/27/67/491112767.db2.gz	PJMGBZAPZFCGSV-SRVKXCTJSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]1CCC	308611931	491114231	/nfs/dbraw/zinc/11/42/31/491114231.db2.gz	QYWYOMZGHQYXJB-WUHRBBMRSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@H](C)[NH2+]CCC1(F)CCC1	308644481	491115544	/nfs/dbraw/zinc/11/55/44/491115544.db2.gz	GUSGAIMUDJAXCT-NSHDSACASA-N	1	0	199.313	3.213	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]CCC1(F)CCC1	308644480	491115726	/nfs/dbraw/zinc/11/57/26/491115726.db2.gz	GUSGAIMUDJAXCT-LLVKDONJSA-N	1	0	199.313	3.213	10	30		AGEERO
C=CCC[C@H]([NH2+]C1CC(C)C1)C1CC1	308647131	491115808	/nfs/dbraw/zinc/11/58/08/491115808.db2.gz	IFXSOMDTPZXUQU-GDKBPFBDSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H]([NH2+][C@@H]1CC1(C)C)C1CC1	308646613	491115868	/nfs/dbraw/zinc/11/58/68/491115868.db2.gz	HYNDVJBOGMOTQT-NWDGAFQWSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H]([NH2+][C@@H]1CC1(C)C)C1CC1	308646616	491115883	/nfs/dbraw/zinc/11/58/83/491115883.db2.gz	HYNDVJBOGMOTQT-VXGBXAGGSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@@H]([NH2+]C1CC(C)C1)C1CC1	308647133	491115888	/nfs/dbraw/zinc/11/58/88/491115888.db2.gz	IFXSOMDTPZXUQU-KGPNIALWSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC12CCCC2	308652744	491116149	/nfs/dbraw/zinc/11/61/49/491116149.db2.gz	LXDARCPRYVJNCN-LBPRGKRZSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CCC12CCCC2	308652743	491116198	/nfs/dbraw/zinc/11/61/98/491116198.db2.gz	LXDARCPRYVJNCN-GFCCVEGCSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1CC12CCCC2	308680715	491117282	/nfs/dbraw/zinc/11/72/82/491117282.db2.gz	XMEWHTUWGZNGTM-NWDGAFQWSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H]1CC12CCCC2	308680712	491117325	/nfs/dbraw/zinc/11/73/25/491117325.db2.gz	XMEWHTUWGZNGTM-NEPJUHHUSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H]1CC12CCCC2	308680725	491117392	/nfs/dbraw/zinc/11/73/92/491117392.db2.gz	XMEWHTUWGZNGTM-RYUDHWBXSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1CC12CCCC2	308680736	491117456	/nfs/dbraw/zinc/11/74/56/491117456.db2.gz	XMEWHTUWGZNGTM-VXGBXAGGSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@@H](CC)[NH2+]C1CC(C(C)C)C1	308738747	491118596	/nfs/dbraw/zinc/11/85/96/491118596.db2.gz	NEOGAIXVCCBHKB-OTTFEQOBSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](CC)[NH2+]C1CC(C(C)C)C1	308738746	491118608	/nfs/dbraw/zinc/11/86/08/491118608.db2.gz	NEOGAIXVCCBHKB-CPCZMJQVSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@@H]1C	389300153	491119543	/nfs/dbraw/zinc/11/95/43/491119543.db2.gz	LUUZLCYDLUECEP-ZDEQEGDKSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@@H]1C[C@H](C)[C@H]1C	389300146	491119557	/nfs/dbraw/zinc/11/95/57/491119557.db2.gz	LUUZLCYDLUECEP-WUHRBBMRSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C	389300143	491119589	/nfs/dbraw/zinc/11/95/89/491119589.db2.gz	LUUZLCYDLUECEP-MROQNXINSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@@H]1C[C@@H](C)[C@H]1C	389300150	491119624	/nfs/dbraw/zinc/11/96/24/491119624.db2.gz	LUUZLCYDLUECEP-YVECIDJPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@@H](C)[C@@H]1CC1(C)C	397616079	491119717	/nfs/dbraw/zinc/11/97/17/491119717.db2.gz	CNMSBRDSTPWQID-QWRGUYRKSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@H](C)[C@H]1CC1(C)C	397616074	491119721	/nfs/dbraw/zinc/11/97/21/491119721.db2.gz	CNMSBRDSTPWQID-GHMZBOCLSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@H](C)[C@@H]1CC1(C)C	397616077	491119729	/nfs/dbraw/zinc/11/97/29/491119729.db2.gz	CNMSBRDSTPWQID-MNOVXSKESA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@@H](C)[C@H]1CC1(C)C	397616081	491119747	/nfs/dbraw/zinc/11/97/47/491119747.db2.gz	CNMSBRDSTPWQID-WDEREUQCSA-N	1	0	195.350	3.223	10	30		AGEERO
C#CC[N@@H+](CC)CCC[C@@H](C)CCC	1657483047	1188749454	/nfs/dbraw/zinc/74/94/54/1188749454.db2.gz	ANJZIAQOCISIJA-ZDUSSCGKSA-N	1	0	195.350	3.158	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@](C)(CC)C1	1657411404	1188749461	/nfs/dbraw/zinc/74/94/61/1188749461.db2.gz	IGPXYSKKRFNUKU-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C#CC[N@@H+](CC)CCC[C@H](C)CCC	1657483046	1188749485	/nfs/dbraw/zinc/74/94/85/1188749485.db2.gz	ANJZIAQOCISIJA-CYBMUJFWSA-N	1	0	195.350	3.158	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@@](C)(CC)C1	1657411403	1188749490	/nfs/dbraw/zinc/74/94/90/1188749490.db2.gz	IGPXYSKKRFNUKU-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@@](C)(CC)C1	1657411401	1188749504	/nfs/dbraw/zinc/74/95/04/1188749504.db2.gz	IGPXYSKKRFNUKU-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@](C)(CC)C1	1657411402	1188749616	/nfs/dbraw/zinc/74/96/16/1188749616.db2.gz	IGPXYSKKRFNUKU-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
CCCCCCC[C@H](C)[NH2+]CC	59089627	1188771730	/nfs/dbraw/zinc/77/17/30/1188771730.db2.gz	JFECLVNQKJHDGQ-NSHDSACASA-N	1	0	171.328	3.345	10	30		AGEERO
CCCCCCC[C@@H](C)[NH2+]C1CC1	59089605	1188771909	/nfs/dbraw/zinc/77/19/09/1188771909.db2.gz	SYTRKZCCVCSWCI-LLVKDONJSA-N	1	0	183.339	3.487	10	30		AGEERO
CCCCCCC[C@H](C)[NH2+]C1CC1	59089607	1188771970	/nfs/dbraw/zinc/77/19/70/1188771970.db2.gz	SYTRKZCCVCSWCI-NSHDSACASA-N	1	0	183.339	3.487	10	30		AGEERO
CCCCCCCCC[NH2+]CC	59359865	1188772356	/nfs/dbraw/zinc/77/23/56/1188772356.db2.gz	SNQQNBVJEWJYAM-UHFFFAOYSA-N	1	0	171.328	3.347	10	30		AGEERO
CCCCCCC[C@@H](C)[NH2+]CC	59089625	1188772486	/nfs/dbraw/zinc/77/24/86/1188772486.db2.gz	JFECLVNQKJHDGQ-LLVKDONJSA-N	1	0	171.328	3.345	10	30		AGEERO
C=C(C)c1cccc(C2([NH3+])CCC2)c1	258064973	1188795864	/nfs/dbraw/zinc/79/58/64/1188795864.db2.gz	LUAPBFQEQNIZRB-UHFFFAOYSA-N	1	0	187.286	3.058	10	30		AGEERO
C=C(C)CC[N@@H+]1CC(C)(C)C1(C)C	307072604	1188805253	/nfs/dbraw/zinc/80/52/53/1188805253.db2.gz	IOMIPTUZAWRPDD-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@@H](C)[N@H+](C)CCC1CC1	308322741	1188811120	/nfs/dbraw/zinc/81/11/20/1188811120.db2.gz	CMABVHAPCFGIEJ-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[NH2+]C[C@H](C)CC1CCCCC1	308658135	1188812301	/nfs/dbraw/zinc/81/23/01/1188812301.db2.gz	OWRUNQROHCJVSE-GFCCVEGCSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCC[C@H](C)[NH2+]C1CCC(F)CC1	308652526	1188812721	/nfs/dbraw/zinc/81/27/21/1188812721.db2.gz	LQGWTINUYRGSMQ-UNXYVOJBSA-N	1	0	199.313	3.211	10	30		AGEERO
C=CCCC(C)(C)C[NH2+]CC(C)C	318237149	1188813957	/nfs/dbraw/zinc/81/39/57/1188813957.db2.gz	LACMKYAWOZMFBE-UHFFFAOYSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CCCC[N@@H+](C)C(CC)CC	379334258	1188815978	/nfs/dbraw/zinc/81/59/78/1188815978.db2.gz	LTKKQNLQKQYREG-UHFFFAOYSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CCC[C@H](C)[N@H+](C)CC1CCC1	379394174	1188817823	/nfs/dbraw/zinc/81/78/23/1188817823.db2.gz	WPELYDPTIBNRHD-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@@H](C)[N@H+](C)CC1CCC1	379394173	1188817843	/nfs/dbraw/zinc/81/78/43/1188817843.db2.gz	WPELYDPTIBNRHD-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[N@@H+](C)[C@@H](C)CC1CC1	1258471488	1188833751	/nfs/dbraw/zinc/83/37/51/1188833751.db2.gz	CUIDFDMNQRKIRG-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@@H+](C)[C@H](C)CC1CC1	1258471485	1188833954	/nfs/dbraw/zinc/83/39/54/1188833954.db2.gz	CUIDFDMNQRKIRG-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC(CC)(CC)C1	1459655118	1188841792	/nfs/dbraw/zinc/84/17/92/1188841792.db2.gz	ZQMPLYYOXZKPBW-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](C)[C@H](C)C1	1459769687	1188841908	/nfs/dbraw/zinc/84/19/08/1188841908.db2.gz	ISZWBNLWPJOFDD-QWHCGFSZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@H](C)CC1	1459397454	1188841919	/nfs/dbraw/zinc/84/19/19/1188841919.db2.gz	SUKSEDOUBBERGG-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C#CCCCCCC[N@H+]1CCC[C@@H]1C	1459554749	1188842041	/nfs/dbraw/zinc/84/20/41/1188842041.db2.gz	ATCHBUPGBDSYLH-ZDUSSCGKSA-N	1	0	193.334	3.054	10	30		AGEERO
C=CC[C@H](C)[NH+]1CCC(CC)CC1	1459451118	1188842211	/nfs/dbraw/zinc/84/22/11/1188842211.db2.gz	UDYLRBLFTREPDE-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC(CC)(CC)C1	1459655122	1188842256	/nfs/dbraw/zinc/84/22/56/1188842256.db2.gz	ZQMPLYYOXZKPBW-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@@H](C)CC1	1459397423	1188842277	/nfs/dbraw/zinc/84/22/77/1188842277.db2.gz	SUKSEDOUBBERGG-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@H](CC)C1	1459624630	1188842326	/nfs/dbraw/zinc/84/23/26/1188842326.db2.gz	SWASGWIKVBDQAE-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@@H](CC)C1	1459624628	1188842484	/nfs/dbraw/zinc/84/24/84/1188842484.db2.gz	SWASGWIKVBDQAE-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@H](CC)C1	1459624626	1188842511	/nfs/dbraw/zinc/84/25/11/1188842511.db2.gz	SWASGWIKVBDQAE-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@@H](CC)C1	1459624632	1188842667	/nfs/dbraw/zinc/84/26/67/1188842667.db2.gz	SWASGWIKVBDQAE-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C/C=C\CC[NH+]1CCC(C=C)CC1	1459495656	1188842715	/nfs/dbraw/zinc/84/27/15/1188842715.db2.gz	ZKPOELUFQNJQSO-WAYWQWQTSA-N	1	0	191.318	3.017	10	30		AGEERO
C=CC[C@@H](C)[NH+]1CCC(CC)CC1	1459451114	1188842752	/nfs/dbraw/zinc/84/27/52/1188842752.db2.gz	UDYLRBLFTREPDE-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](C)[C@H](C)C1	1459769685	1188842825	/nfs/dbraw/zinc/84/28/25/1188842825.db2.gz	ISZWBNLWPJOFDD-CHWSQXEVSA-N	1	0	195.350	3.321	10	30		AGEERO
C#CCCCCCC[N@H+]1CCC[C@H]1C	1459554745	1188842987	/nfs/dbraw/zinc/84/29/87/1188842987.db2.gz	ATCHBUPGBDSYLH-CYBMUJFWSA-N	1	0	193.334	3.054	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](C)[C@@H](C)C1	1459769688	1188843031	/nfs/dbraw/zinc/84/30/31/1188843031.db2.gz	ISZWBNLWPJOFDD-STQMWFEESA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CCC[C@@H](C)CC1	1459397479	1188843054	/nfs/dbraw/zinc/84/30/54/1188843054.db2.gz	SUKSEDOUBBERGG-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](C)[C@@H](C)C1	1459769686	1188843063	/nfs/dbraw/zinc/84/30/63/1188843063.db2.gz	ISZWBNLWPJOFDD-OLZOCXBDSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CCC[C@H](C)CC1	1459397461	1188843093	/nfs/dbraw/zinc/84/30/93/1188843093.db2.gz	SUKSEDOUBBERGG-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C/C=C/CC[NH+]1CCC(C=C)CC1	1459495644	1188843107	/nfs/dbraw/zinc/84/31/07/1188843107.db2.gz	ZKPOELUFQNJQSO-AATRIKPKSA-N	1	0	191.318	3.017	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1C[C@H](C)CC(C)(C)C1	1473303663	1188843998	/nfs/dbraw/zinc/84/39/98/1188843998.db2.gz	CALMOLXDTCGVKE-NEPJUHHUSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](C)[C@H]1CC	1473411404	1188844307	/nfs/dbraw/zinc/84/43/07/1188844307.db2.gz	ZDHHWPQCXGJLSX-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](C)[C@@H]1CC	1473411405	1188844609	/nfs/dbraw/zinc/84/46/09/1188844609.db2.gz	ZDHHWPQCXGJLSX-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](C)[C@@H]1CC	1473411403	1188844774	/nfs/dbraw/zinc/84/47/74/1188844774.db2.gz	ZDHHWPQCXGJLSX-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1C[C@@H](C)CC(C)(C)C1	1473303665	1188844910	/nfs/dbraw/zinc/84/49/10/1188844910.db2.gz	CALMOLXDTCGVKE-RYUDHWBXSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](C)[C@H]1CC	1473411402	1188845082	/nfs/dbraw/zinc/84/50/82/1188845082.db2.gz	ZDHHWPQCXGJLSX-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1C[C@H](C)CC(C)(C)C1	1473303666	1188845352	/nfs/dbraw/zinc/84/53/52/1188845352.db2.gz	CALMOLXDTCGVKE-VXGBXAGGSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1C[C@@H](C)CC(C)(C)C1	1473303664	1188845378	/nfs/dbraw/zinc/84/53/78/1188845378.db2.gz	CALMOLXDTCGVKE-NWDGAFQWSA-N	1	0	195.350	3.319	10	30		AGEERO
C#CCCC[N@@H+](CCCCC)C(C)C	161092550	697664041	/nfs/dbraw/zinc/66/40/41/697664041.db2.gz	AEVSJZAOEKWSMU-UHFFFAOYSA-N	1	0	195.350	3.300	10	30		AGEERO
C=CCCCC[NH2+][C@@H]1CC[C@@H]1C(C)C	308494045	697774321	/nfs/dbraw/zinc/77/43/21/697774321.db2.gz	COTPCODEEBYASN-CHWSQXEVSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[NH2+][C@H]1CC[C@@H]1C(C)C	308494048	697774442	/nfs/dbraw/zinc/77/44/42/697774442.db2.gz	COTPCODEEBYASN-OLZOCXBDSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[N@@H+](C)CCCCCC	379325445	697818304	/nfs/dbraw/zinc/81/83/04/697818304.db2.gz	CHFAJEVSPWDOJZ-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=CCCCCC[NH2+][C@H]1CC[C@@H]1C	379350474	697833903	/nfs/dbraw/zinc/83/39/03/697833903.db2.gz	SXIHHJRWYLKCIF-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[NH2+][C@H]1CC[C@H]1C	379350472	697833944	/nfs/dbraw/zinc/83/39/44/697833944.db2.gz	SXIHHJRWYLKCIF-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[NH2+][C@@H]1CC[C@@H]1C	379350473	697833972	/nfs/dbraw/zinc/83/39/72/697833972.db2.gz	SXIHHJRWYLKCIF-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCCC[NH2+][C@@H]1CC[C@H]1C	379350475	697833999	/nfs/dbraw/zinc/83/39/99/697833999.db2.gz	SXIHHJRWYLKCIF-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
CCCCCCC[N@H+](C)CC1CC1	379376243	697852351	/nfs/dbraw/zinc/85/23/51/697852351.db2.gz	SKLIFQAMLBNGIL-UHFFFAOYSA-N	1	0	183.339	3.299	10	30		AGEERO
CCCCCCC[N@@H+]1[C@@H](C)C[C@H]1C	379396873	697872074	/nfs/dbraw/zinc/87/20/74/697872074.db2.gz	JVYDKNPZIUDBIF-TXEJJXNPSA-N	1	0	183.339	3.440	10	30		AGEERO
CCCCCCC[NH+]1[C@H](C)C[C@H]1C	379396874	697872301	/nfs/dbraw/zinc/87/23/01/697872301.db2.gz	JVYDKNPZIUDBIF-VXGBXAGGSA-N	1	0	183.339	3.440	10	30		AGEERO
CCCCCCC[NH+]1[C@@H](C)C[C@@H]1C	379396872	697872390	/nfs/dbraw/zinc/87/23/90/697872390.db2.gz	JVYDKNPZIUDBIF-RYUDHWBXSA-N	1	0	183.339	3.440	10	30		AGEERO
C=CCCC[N@@H+](C)CCCCCC	379405118	697880234	/nfs/dbraw/zinc/88/02/34/697880234.db2.gz	SOAKXXOENSRJRQ-UHFFFAOYSA-N	1	0	183.339	3.465	10	30		AGEERO
C#CCCC[NH2+][C@H](C)CCC(C)(C)C	379505549	697897049	/nfs/dbraw/zinc/89/70/49/697897049.db2.gz	UKHHACLWRCJGDY-GFCCVEGCSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCCC[NH2+][C@@H](C)CCC(C)(C)C	379505553	697897177	/nfs/dbraw/zinc/89/71/77/697897177.db2.gz	UKHHACLWRCJGDY-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
C#C[C@H]([NH2+]C[C@H](C)CCC)C(C)(C)C	379590690	697902563	/nfs/dbraw/zinc/90/25/63/697902563.db2.gz	WOOQBKGIAYJKPF-NEPJUHHUSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@@H]([NH2+]C[C@H](C)CCC)C(C)(C)C	379590693	697902648	/nfs/dbraw/zinc/90/26/48/697902648.db2.gz	WOOQBKGIAYJKPF-VXGBXAGGSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@H]([NH2+]C[C@@H](C)CCC)C(C)(C)C	379590692	697902756	/nfs/dbraw/zinc/90/27/56/697902756.db2.gz	WOOQBKGIAYJKPF-RYUDHWBXSA-N	1	0	195.350	3.060	10	30		AGEERO
C#C[C@@H]([NH2+]C[C@@H](C)CCC)C(C)(C)C	379590691	697902778	/nfs/dbraw/zinc/90/27/78/697902778.db2.gz	WOOQBKGIAYJKPF-NWDGAFQWSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CCCCCCC[NH2+]CC1(F)CC1	379638622	697907282	/nfs/dbraw/zinc/90/72/82/697907282.db2.gz	SMLRTVGRDNDUJJ-UHFFFAOYSA-N	1	0	199.313	3.215	10	30		AGEERO
CCCCCCC[N@@H+]1C[C@@H](C)[C@H]1C	382155359	697919711	/nfs/dbraw/zinc/91/97/11/697919711.db2.gz	RBARKHICVYYLNZ-VXGBXAGGSA-N	1	0	183.339	3.297	10	30		AGEERO
CCCCCCC[N@@H+]1C[C@H](C)[C@H]1C	382155356	697919762	/nfs/dbraw/zinc/91/97/62/697919762.db2.gz	RBARKHICVYYLNZ-NWDGAFQWSA-N	1	0	183.339	3.297	10	30		AGEERO
CCCCCCC[N@@H+]1C[C@@H](C)[C@@H]1C	382155354	697919814	/nfs/dbraw/zinc/91/98/14/697919814.db2.gz	RBARKHICVYYLNZ-NEPJUHHUSA-N	1	0	183.339	3.297	10	30		AGEERO
CCCCCCC[N@@H+]1C[C@H](C)[C@@H]1C	382155357	697919829	/nfs/dbraw/zinc/91/98/29/697919829.db2.gz	RBARKHICVYYLNZ-RYUDHWBXSA-N	1	0	183.339	3.297	10	30		AGEERO
C=CC[C@@H](C)[NH2+]CC1(C)CCCC1	388203104	697944988	/nfs/dbraw/zinc/94/49/88/697944988.db2.gz	CCVMPBGOEXXEJF-LLVKDONJSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H](C)[NH2+]CC1(C)CCCC1	388203106	697945004	/nfs/dbraw/zinc/94/50/04/697945004.db2.gz	CCVMPBGOEXXEJF-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
CCCCCCC[N@@H+]1CC[C@@H]2C[C@@H]21	388581154	697974360	/nfs/dbraw/zinc/97/43/60/697974360.db2.gz	BLSNQJSZPPVNRA-NEPJUHHUSA-N	1	0	181.323	3.051	10	30		AGEERO
CCCCCCC[N@@H+]1CC[C@H]2C[C@H]21	388581155	697974377	/nfs/dbraw/zinc/97/43/77/697974377.db2.gz	BLSNQJSZPPVNRA-NWDGAFQWSA-N	1	0	181.323	3.051	10	30		AGEERO
C#C[C@@H](CC)[NH2+][C@@H](C)CCC(C)(C)C	388837555	697999167	/nfs/dbraw/zinc/99/91/67/697999167.db2.gz	VZZKTXNKUAUEMW-RYUDHWBXSA-N	1	0	195.350	3.203	10	30		AGEERO
C#C[C@@H](CC)[NH2+][C@H](C)CCC(C)(C)C	388837553	697999188	/nfs/dbraw/zinc/99/91/88/697999188.db2.gz	VZZKTXNKUAUEMW-NEPJUHHUSA-N	1	0	195.350	3.203	10	30		AGEERO
C#C[C@H](CC)[NH2+][C@@H](C)CCC(C)(C)C	388837554	697999438	/nfs/dbraw/zinc/99/94/38/697999438.db2.gz	VZZKTXNKUAUEMW-NWDGAFQWSA-N	1	0	195.350	3.203	10	30		AGEERO
C#C[C@H](CC)[NH2+][C@H](C)CCC(C)(C)C	388837556	697999485	/nfs/dbraw/zinc/99/94/85/697999485.db2.gz	VZZKTXNKUAUEMW-VXGBXAGGSA-N	1	0	195.350	3.203	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@@H]1CC[C@H]1C(C)C	393664839	698020136	/nfs/dbraw/zinc/02/01/36/698020136.db2.gz	FXTKPJDUOPDVFH-RWMBFGLXSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@@H]1CC[C@@H]1C(C)C	393664842	698020150	/nfs/dbraw/zinc/02/01/50/698020150.db2.gz	FXTKPJDUOPDVFH-YNEHKIRRSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@H]1CC[C@@H]1C(C)C	393664841	698020243	/nfs/dbraw/zinc/02/02/43/698020243.db2.gz	FXTKPJDUOPDVFH-XQQFMLRXSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](CC)[NH2+][C@H]1CC[C@H]1C(C)C	393664836	698020460	/nfs/dbraw/zinc/02/04/60/698020460.db2.gz	FXTKPJDUOPDVFH-AVGNSLFASA-N	1	0	195.350	3.365	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]C1CC=CC1	394314982	698030374	/nfs/dbraw/zinc/03/03/74/698030374.db2.gz	AAOSTHTWCMPFEL-LLVKDONJSA-N	1	0	179.307	3.039	10	30		AGEERO
C#C[C@H](C)[N@@H+](C)C[C@H](CC)CCCC	769975350	698091979	/nfs/dbraw/zinc/09/19/79/698091979.db2.gz	DIOJBDRXIMDGOZ-QWHCGFSZSA-N	1	0	195.350	3.156	10	30		AGEERO
C#C[C@H](C)[N@@H+](C)C[C@@H](CC)CCCC	769975351	698092291	/nfs/dbraw/zinc/09/22/91/698092291.db2.gz	DIOJBDRXIMDGOZ-STQMWFEESA-N	1	0	195.350	3.156	10	30		AGEERO
C#C[C@@H](C)[N@@H+](C)C[C@@H](CC)CCCC	769975348	698092346	/nfs/dbraw/zinc/09/23/46/698092346.db2.gz	DIOJBDRXIMDGOZ-OLZOCXBDSA-N	1	0	195.350	3.156	10	30		AGEERO
C#C[C@@H](C)[N@@H+](C)C[C@H](CC)CCCC	769975342	698092654	/nfs/dbraw/zinc/09/26/54/698092654.db2.gz	DIOJBDRXIMDGOZ-CHWSQXEVSA-N	1	0	195.350	3.156	10	30		AGEERO
Cc1ccccc1/C=[NH+]/C(C)(C)C	21987706	343077171	/nfs/dbraw/zinc/07/71/71/343077171.db2.gz	FSTJSZALCOAPRT-UKTHLTGXSA-N	1	0	175.275	3.212	10	30		AGEERO
C=CCC1([NH3+])CCCCCCC1	59357007	343344176	/nfs/dbraw/zinc/34/41/76/343344176.db2.gz	USDHVURMLCUYMW-UHFFFAOYSA-N	1	0	167.296	3.004	10	30		AGEERO
C=CCC[C@H]([NH3+])c1cc(F)ccc1C	70594857	343500380	/nfs/dbraw/zinc/50/03/80/343500380.db2.gz	SJGCAAWGVPVVDQ-LBPRGKRZSA-N	1	0	193.265	3.100	10	30		AGEERO
CC[C@@H](C)C[N@H+](CC)CCCCC#N	86437664	343651981	/nfs/dbraw/zinc/65/19/81/343651981.db2.gz	DYZRAGHJJBKZIR-GFCCVEGCSA-N	1	0	196.338	3.048	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1ccc(C)cc1C	128959200	343841149	/nfs/dbraw/zinc/84/11/49/343841149.db2.gz	JDBKXVOUSQFCMH-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@H]([NH3+])c1ccc(C)cc1F	129032188	343843121	/nfs/dbraw/zinc/84/31/21/343843121.db2.gz	UCLZFPYSGAJYBT-LBPRGKRZSA-N	1	0	193.265	3.100	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1ccc(C)cc1F	129031987	343843144	/nfs/dbraw/zinc/84/31/44/343843144.db2.gz	UCLZFPYSGAJYBT-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C[C@@H]([NH3+])c1cc2sccc2s1	130712848	343873299	/nfs/dbraw/zinc/87/32/99/343873299.db2.gz	JWDJEDGKVHFPSW-ZCFIWIBFSA-N	1	0	195.312	3.149	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1sccc1C	130922494	343877699	/nfs/dbraw/zinc/87/76/99/343877699.db2.gz	BLPACISSVOQDQO-VIFPVBQESA-N	1	0	181.304	3.023	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1ccc(C)s1	130973501	343878321	/nfs/dbraw/zinc/87/83/21/343878321.db2.gz	JNYGPDODUCNMGM-VIFPVBQESA-N	1	0	181.304	3.023	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1c(F)cccc1Cl	131339790	343884049	/nfs/dbraw/zinc/88/40/49/343884049.db2.gz	SXTOYIQTYCDYLI-SNVBAGLBSA-N	1	0	199.656	3.055	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1ccc(C)c(Cl)c1	131317645	343884055	/nfs/dbraw/zinc/88/40/55/343884055.db2.gz	YTEAHKOWONEVGP-LLVKDONJSA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1ccc(C)c(Cl)c1	131317871	343884082	/nfs/dbraw/zinc/88/40/82/343884082.db2.gz	YTEAHKOWONEVGP-NSHDSACASA-N	1	0	195.693	3.224	10	30		AGEERO
CC(=CC(C)=[NH+]C(C)C)NC(C)(C)C	39124317	166049905	/nfs/dbraw/zinc/04/99/05/166049905.db2.gz	SOCKGUBDJQAXJQ-BYMTVSRWSA-N	1	0	196.338	3.148	10	30		AGEERO
C1CCC([NH+]=C2CCCC2)CC1	32228546	166087580	/nfs/dbraw/zinc/08/75/80/166087580.db2.gz	JKXQLLCWTHILOS-UHFFFAOYSA-N	1	0	165.280	3.334	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)c1cccc(F)c1	49855323	166122258	/nfs/dbraw/zinc/12/22/58/166122258.db2.gz	KTROEAFZMJKCGC-SNVBAGLBSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[NH2+]CC1CCC(CC)CC1	51753352	166122315	/nfs/dbraw/zinc/12/23/15/166122315.db2.gz	PTUXKJYELAFWOE-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)c1ccccc1F	49855316	166122626	/nfs/dbraw/zinc/12/26/26/166122626.db2.gz	SDGKDLIKASLJNW-JTQLQIEISA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)c1ccccc1F	49855318	166123006	/nfs/dbraw/zinc/12/30/06/166123006.db2.gz	SDGKDLIKASLJNW-SNVBAGLBSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)c1ccc(F)cc1	49801944	166123023	/nfs/dbraw/zinc/12/30/23/166123023.db2.gz	CQBRAWQBXQHODD-SNVBAGLBSA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[NH2+]CCC1CCCCC1	51753331	166123471	/nfs/dbraw/zinc/12/34/71/166123471.db2.gz	WQHLBPLSGZPOSP-UHFFFAOYSA-N	1	0	181.323	3.123	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)CCCC(C)C	49772990	166123552	/nfs/dbraw/zinc/12/35/52/166123552.db2.gz	ONQPKVMWAPEJKC-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[NH2+]CCC1=CCCCC1	41582473	166123586	/nfs/dbraw/zinc/12/35/86/166123586.db2.gz	QYCOCWFMOYKJIQ-UHFFFAOYSA-N	1	0	179.307	3.043	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)c1cccc(F)c1	49855320	166123612	/nfs/dbraw/zinc/12/36/12/166123612.db2.gz	KTROEAFZMJKCGC-JTQLQIEISA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[NH2+][C@@H](CC)c1cccs1	51753516	166123622	/nfs/dbraw/zinc/12/36/22/166123622.db2.gz	PEZFAKDRPBSOKG-JTQLQIEISA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)CCCCC	49773289	166123684	/nfs/dbraw/zinc/12/36/84/166123684.db2.gz	KWOXICFJTLDJLB-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)CCCC(C)C	49772989	166123758	/nfs/dbraw/zinc/12/37/58/166123758.db2.gz	ONQPKVMWAPEJKC-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)c1ccc(F)cc1	49801943	166123804	/nfs/dbraw/zinc/12/38/04/166123804.db2.gz	CQBRAWQBXQHODD-JTQLQIEISA-N	1	0	193.265	3.052	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)CCCCC	49773287	166123814	/nfs/dbraw/zinc/12/38/14/166123814.db2.gz	KWOXICFJTLDJLB-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)C[NH2+][C@H](CC)c1cccs1	51753518	166123825	/nfs/dbraw/zinc/12/38/25/166123825.db2.gz	PEZFAKDRPBSOKG-SNVBAGLBSA-N	1	0	195.331	3.365	10	30		AGEERO
C=C(C)[C@@]1(C)C=[NH+]Cc2ccccc21	90755856	166130011	/nfs/dbraw/zinc/13/00/11/166130011.db2.gz	DGFKUZPOUABURE-CYBMUJFWSA-N	1	0	185.270	3.105	10	30		AGEERO
C=C(C)[C@]1(C)C=[NH+]Cc2ccccc21	90755855	166131403	/nfs/dbraw/zinc/13/14/03/166131403.db2.gz	DGFKUZPOUABURE-ZDUSSCGKSA-N	1	0	185.270	3.105	10	30		AGEERO
C=C(Cl)C[NH2+]C1(C)CCCCC1	45045594	166136170	/nfs/dbraw/zinc/13/61/70/166136170.db2.gz	PEJUFPDRYRNXND-UHFFFAOYSA-N	1	0	187.714	3.051	10	30		AGEERO
C=C(Cl)C[NH2+]CCC1=CCCCC1	49826451	166137947	/nfs/dbraw/zinc/13/79/47/166137947.db2.gz	QVXTWVZJNHFBFI-UHFFFAOYSA-N	1	0	199.725	3.219	10	30		AGEERO
C=C1c2ccccc2[C@]2([NH3+])CCCC[C@H]12	27734228	166150351	/nfs/dbraw/zinc/15/03/51/166150351.db2.gz	SPDVCVOCAKRRQS-OCCSQVGLSA-N	1	0	199.297	3.058	10	30		AGEERO
C=C1c2ccccc2[C@@]2([NH3+])CCCC[C@@H]12	27734247	166150722	/nfs/dbraw/zinc/15/07/22/166150722.db2.gz	SPDVCVOCAKRRQS-GXTWGEPZSA-N	1	0	199.297	3.058	10	30		AGEERO
C=C1c2ccccc2[C@@]2([NH3+])CCCC[C@H]12	27734234	166151715	/nfs/dbraw/zinc/15/17/15/166151715.db2.gz	SPDVCVOCAKRRQS-TZMCWYRMSA-N	1	0	199.297	3.058	10	30		AGEERO
C=C1c2ccccc2[C@]2([NH3+])CCCC[C@@H]12	27734240	166151733	/nfs/dbraw/zinc/15/17/33/166151733.db2.gz	SPDVCVOCAKRRQS-JSGCOSHPSA-N	1	0	199.297	3.058	10	30		AGEERO
C=CCC[C@@H]([NH2+]C)c1ccc(C)cc1	70594230	166168976	/nfs/dbraw/zinc/16/89/76/166168976.db2.gz	GYRJPWUHDGAYAP-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CCC[C@@H]1CCC[C@@H](/C=C\C)[NH2+]1	226563394	166169404	/nfs/dbraw/zinc/16/94/04/166169404.db2.gz	YLGMLNDHZNNSQX-MGNMTHHWSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CCC[C@H]1CCC[C@@H](C=C(C)C)[NH2+]1	21982105	166169775	/nfs/dbraw/zinc/16/97/75/166169775.db2.gz	QBEAALBLYFQXRX-STQMWFEESA-N	1	0	193.334	3.430	10	30		AGEERO
C=CCC[C@@H]1CCC[C@@H](C=C(C)C)[NH2+]1	21982101	166170121	/nfs/dbraw/zinc/17/01/21/166170121.db2.gz	QBEAALBLYFQXRX-OLZOCXBDSA-N	1	0	193.334	3.430	10	30		AGEERO
C=CCC[C@@H]1CCC[C@H](C=C(C)C)[NH2+]1	21982103	166170622	/nfs/dbraw/zinc/17/06/22/166170622.db2.gz	QBEAALBLYFQXRX-CHWSQXEVSA-N	1	0	193.334	3.430	10	30		AGEERO
C=CCC[C@H]1CCC[C@H](C=C(C)C)[NH2+]1	21982107	166170707	/nfs/dbraw/zinc/17/07/07/166170707.db2.gz	QBEAALBLYFQXRX-QWHCGFSZSA-N	1	0	193.334	3.430	10	30		AGEERO
C=CCC[C@H]([NH2+]C)c1ccc(C)cc1	70594231	166170935	/nfs/dbraw/zinc/17/09/35/166170935.db2.gz	GYRJPWUHDGAYAP-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CC[NH2+]C1CCC(C(C)(C)C)CC1	19875744	166185336	/nfs/dbraw/zinc/18/53/36/166185336.db2.gz	DTBIJNJJRQLHMR-UHFFFAOYSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[NH2+]C1CCC(CCC)CC1	20084813	166185744	/nfs/dbraw/zinc/18/57/44/166185744.db2.gz	YAADNTYFBWGWCP-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[NH2+]Cc1ccc2ccccc2c1	19875716	166188190	/nfs/dbraw/zinc/18/81/90/166188190.db2.gz	ILUIVUKWNXACRJ-UHFFFAOYSA-N	1	0	197.281	3.115	10	30		AGEERO
C=CC[NH2+][C@@H](CC=C)c1ccccc1	6780931	166189748	/nfs/dbraw/zinc/18/97/48/166189748.db2.gz	HHJCFFAQSYVMDE-ZDUSSCGKSA-N	1	0	187.286	3.079	10	30		AGEERO
C=CC[NH2+][C@@H](C)c1ccc(C)c(C)c1	19876009	166190049	/nfs/dbraw/zinc/19/00/49/166190049.db2.gz	GACNINAIBBDHGJ-LBPRGKRZSA-N	1	0	189.302	3.140	10	30		AGEERO
C=CC[NH2+][C@@H](C)c1cc(C)ccc1C	19875925	166190368	/nfs/dbraw/zinc/19/03/68/166190368.db2.gz	DBTWKLQTCCFWSB-LBPRGKRZSA-N	1	0	189.302	3.140	10	30		AGEERO
C=CC[NH2+][C@@H](c1cccs1)C(C)C	35046617	166190431	/nfs/dbraw/zinc/19/04/31/166190431.db2.gz	BJBRZFIRIRXXCZ-LLVKDONJSA-N	1	0	195.331	3.221	10	30		AGEERO
C=CC[NH2+][C@@H](C)c1ccc(CC)cc1	19876015	166190850	/nfs/dbraw/zinc/19/08/50/166190850.db2.gz	RVRAFXIVAAQBDV-NSHDSACASA-N	1	0	189.302	3.086	10	30		AGEERO
C=CC[NH2+][C@@H](C)c1ccc(CC)s1	41062204	166191214	/nfs/dbraw/zinc/19/12/14/166191214.db2.gz	SEPISXHFRJJDGC-VIFPVBQESA-N	1	0	195.331	3.147	10	30		AGEERO
C=CC[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1	34994880	166191219	/nfs/dbraw/zinc/19/12/19/166191219.db2.gz	FXFPDRDINPBPKQ-JHJVBQTASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1	34994878	166191246	/nfs/dbraw/zinc/19/12/46/166191246.db2.gz	FXFPDRDINPBPKQ-YNEHKIRRSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[NH2+][C@@H](C)CCCCCC	20361350	166191296	/nfs/dbraw/zinc/19/12/96/166191296.db2.gz	UWLOSKMETQADHX-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC[NH2+][C@H](C)c1ccc(CC)cc1	19876014	166191625	/nfs/dbraw/zinc/19/16/25/166191625.db2.gz	RVRAFXIVAAQBDV-LLVKDONJSA-N	1	0	189.302	3.086	10	30		AGEERO
C=CC[NH2+][C@H](CC=C)c1ccccc1	6780936	166191710	/nfs/dbraw/zinc/19/17/10/166191710.db2.gz	HHJCFFAQSYVMDE-CYBMUJFWSA-N	1	0	187.286	3.079	10	30		AGEERO
C=CC[NH2+][C@H](c1cccs1)C(C)C	35046616	166192183	/nfs/dbraw/zinc/19/21/83/166192183.db2.gz	BJBRZFIRIRXXCZ-NSHDSACASA-N	1	0	195.331	3.221	10	30		AGEERO
C=CC[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1	34994881	166192392	/nfs/dbraw/zinc/19/23/92/166192392.db2.gz	FXFPDRDINPBPKQ-UPJWGTAASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C	19875760	166192487	/nfs/dbraw/zinc/19/24/87/166192487.db2.gz	NUKLOZQNJQRSBK-XQQFMLRXSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[NH2+][C@H](C)c1ccc(CC)s1	41062203	166192549	/nfs/dbraw/zinc/19/25/49/166192549.db2.gz	SEPISXHFRJJDGC-SECBINFHSA-N	1	0	195.331	3.147	10	30		AGEERO
C=CC[NH2+][C@H]1CC[C@@H]2CCCC[C@@H]2C1	34994879	166192623	/nfs/dbraw/zinc/19/26/23/166192623.db2.gz	FXFPDRDINPBPKQ-XQQFMLRXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[NH2+][C@H](C)CCCCCC	20361349	166192899	/nfs/dbraw/zinc/19/28/99/166192899.db2.gz	UWLOSKMETQADHX-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC[NH2+][C@H](C)c1ccc(Cl)cc1	19875798	166192929	/nfs/dbraw/zinc/19/29/29/166192929.db2.gz	AMOAWNMQUVHSIQ-SECBINFHSA-N	1	0	195.693	3.177	10	30		AGEERO
C=CC[NH2+][C@H](CC)c1ccc(F)cc1	19875872	166192964	/nfs/dbraw/zinc/19/29/64/166192964.db2.gz	NIDWUOSGSUBQSE-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CC[NH2+][C@H](C)c1cc(C)ccc1C	19875924	166193064	/nfs/dbraw/zinc/19/30/64/166193064.db2.gz	DBTWKLQTCCFWSB-GFCCVEGCSA-N	1	0	189.302	3.140	10	30		AGEERO
C=CC[NH2+][C@H](C)c1ccc(C)c(C)c1	19876008	166193279	/nfs/dbraw/zinc/19/32/79/166193279.db2.gz	GACNINAIBBDHGJ-GFCCVEGCSA-N	1	0	189.302	3.140	10	30		AGEERO
C=CC[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C	19875759	166193370	/nfs/dbraw/zinc/19/33/70/166193370.db2.gz	NUKLOZQNJQRSBK-UPJWGTAASA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC[C@@H](CCC(C)C)[NH2+]CCC	43374615	166198196	/nfs/dbraw/zinc/19/81/96/166198196.db2.gz	RWVKQSCEAJDHJQ-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@@H]([NH2+]CCC)C1CCCC1	42396100	166199284	/nfs/dbraw/zinc/19/92/84/166199284.db2.gz	QPBLNPOJAXNJRE-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]([NH2+]CC)c1ccc(C)cc1	42395339	166199351	/nfs/dbraw/zinc/19/93/51/166199351.db2.gz	HELQXRHONUYOAF-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CC[C@@H]1CC=C[C@@H](CCCC)[NH2+]1	143548082	166199355	/nfs/dbraw/zinc/19/93/55/166199355.db2.gz	ZNHVJAGXCZMYOE-VXGBXAGGSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@@H]([NH3+])c1ccc(C(C)C)cc1	42395092	166199518	/nfs/dbraw/zinc/19/95/18/166199518.db2.gz	QEBLHDFVFFEJOE-CYBMUJFWSA-N	1	0	189.302	3.386	10	30		AGEERO
C=CC[C@@H]([NH3+])c1ccc(F)cc1Cl	61846354	166199537	/nfs/dbraw/zinc/19/95/37/166199537.db2.gz	HMMAKYDZJNKTBC-SNVBAGLBSA-N	1	0	199.656	3.055	10	30		AGEERO
C=CC[C@@H]([NH2+]CC)c1cccc(C)c1	42395798	166199677	/nfs/dbraw/zinc/19/96/77/166199677.db2.gz	YTJDYQFYZKQDIH-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CC[C@@H]([NH2+]CC)c1ccccc1C	42395778	166199797	/nfs/dbraw/zinc/19/97/97/166199797.db2.gz	WQJBBWWGQGHCGI-CYBMUJFWSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CC[C@@H]1CC=C[C@H](CCCC)[NH2+]1	143548305	166199860	/nfs/dbraw/zinc/19/98/60/166199860.db2.gz	ZNHVJAGXCZMYOE-NEPJUHHUSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@@H]([NH2+]C)c1ccccc1Cl	50438826	166200004	/nfs/dbraw/zinc/20/00/04/166200004.db2.gz	YZHOJYCVERHHBE-LLVKDONJSA-N	1	0	195.693	3.177	10	30		AGEERO
C=CC[C@@H]([NH2+]CCC)c1ccsc1	42395518	166200017	/nfs/dbraw/zinc/20/00/17/166200017.db2.gz	YDOFQKXVXBCTBB-LLVKDONJSA-N	1	0	195.331	3.365	10	30		AGEERO
C=CC[C@@H]([NH2+]CC)c1ccc(F)cc1	42394993	166200132	/nfs/dbraw/zinc/20/01/32/166200132.db2.gz	YYHTYXOPNWPLKO-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CC[C@@H]([NH3+])c1ccc2ccccc2c1	54440481	166200136	/nfs/dbraw/zinc/20/01/36/166200136.db2.gz	NQRQKHFRLBZQTH-CQSZACIVSA-N	1	0	197.281	3.416	10	30		AGEERO
C=CC[C@@H]([NH3+])c1cc2ccccc2o1	62797554	166200190	/nfs/dbraw/zinc/20/01/90/166200190.db2.gz	ZCMOQEHECRABEM-SNVBAGLBSA-N	1	0	187.242	3.009	10	30		AGEERO
C=CC[C@@H]([NH3+])c1ccc(Cl)cc1F	62786015	166200241	/nfs/dbraw/zinc/20/02/41/166200241.db2.gz	LYKCQQCDMSYQGD-SNVBAGLBSA-N	1	0	199.656	3.055	10	30		AGEERO
C=CC[C@@H]([NH2+]CC)c1cccc(F)c1	42395019	166200348	/nfs/dbraw/zinc/20/03/48/166200348.db2.gz	JHOXXXGUVLYOFA-GFCCVEGCSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CC[C@@H]([NH2+]CCC)c1cccs1	42395065	166200454	/nfs/dbraw/zinc/20/04/54/166200454.db2.gz	NBCOOIGFETWWSY-SNVBAGLBSA-N	1	0	195.331	3.365	10	30		AGEERO
C=CC[C@@H]([NH2+]CCC)c1ccccc1	34500699	166200533	/nfs/dbraw/zinc/20/05/33/166200533.db2.gz	VGMKGTBVXDEENO-CYBMUJFWSA-N	1	0	189.302	3.303	10	30		AGEERO
C=CC[C@@H]([NH2+]C)c1cccc(Cl)c1	42395356	166200588	/nfs/dbraw/zinc/20/05/88/166200588.db2.gz	RHBXNUGSXXVIOR-LLVKDONJSA-N	1	0	195.693	3.177	10	30		AGEERO
C=CC[C@@H]([NH2+]CC)C1CCCCC1	42395883	166200594	/nfs/dbraw/zinc/20/05/94/166200594.db2.gz	KNITUKFAIKXJMQ-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]([NH3+])c1ccc(F)c(Cl)c1	62792222	166200604	/nfs/dbraw/zinc/20/06/04/166200604.db2.gz	CHFYPPHBHWYFHW-SNVBAGLBSA-N	1	0	199.656	3.055	10	30		AGEERO
C=CC[C@@H]([NH2+]C)c1ccc(CC)cc1	42395541	166200676	/nfs/dbraw/zinc/20/06/76/166200676.db2.gz	NYLXFXUAJRMVGG-CYBMUJFWSA-N	1	0	189.302	3.086	10	30		AGEERO
C=CC[C@@H]([NH2+]C)c1ccc(Cl)cc1	42395031	166200683	/nfs/dbraw/zinc/20/06/83/166200683.db2.gz	GCHYBQFRBINWAQ-LLVKDONJSA-N	1	0	195.693	3.177	10	30		AGEERO
C=CC[C@@H]1CCC[C@H](C=C(C)C)[NH2+]1	21982095	166201404	/nfs/dbraw/zinc/20/14/04/166201404.db2.gz	KYHKYVVLMVUBDF-VXGBXAGGSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H](C=C(C)C)[NH2+]1	21982093	166201409	/nfs/dbraw/zinc/20/14/09/166201409.db2.gz	KYHKYVVLMVUBDF-NEPJUHHUSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@H]([NH2+]CCC)c1ccccc1	34500696	166203360	/nfs/dbraw/zinc/20/33/60/166203360.db2.gz	VGMKGTBVXDEENO-ZDUSSCGKSA-N	1	0	189.302	3.303	10	30		AGEERO
C=CC[C@H]([NH3+])c1ccc(C(C)C)cc1	42395096	166203412	/nfs/dbraw/zinc/20/34/12/166203412.db2.gz	QEBLHDFVFFEJOE-ZDUSSCGKSA-N	1	0	189.302	3.386	10	30		AGEERO
C=CC[C@H]([NH3+])c1cc2ccccc2o1	62797553	166203549	/nfs/dbraw/zinc/20/35/49/166203549.db2.gz	ZCMOQEHECRABEM-JTQLQIEISA-N	1	0	187.242	3.009	10	30		AGEERO
C=CC[C@H]([NH2+]CC)c1ccccc1C	42395774	166203639	/nfs/dbraw/zinc/20/36/39/166203639.db2.gz	WQJBBWWGQGHCGI-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CC[C@H]([NH2+]C)c1ccc(Cl)cc1	42395027	166203651	/nfs/dbraw/zinc/20/36/51/166203651.db2.gz	GCHYBQFRBINWAQ-NSHDSACASA-N	1	0	195.693	3.177	10	30		AGEERO
C=CC[C@H]([NH2+]C)c1ccc(CC)cc1	42395545	166203747	/nfs/dbraw/zinc/20/37/47/166203747.db2.gz	NYLXFXUAJRMVGG-ZDUSSCGKSA-N	1	0	189.302	3.086	10	30		AGEERO
C=CC[C@H]([NH2+]CC)C1CCC(C)CC1	44983851	166203813	/nfs/dbraw/zinc/20/38/13/166203813.db2.gz	BPRJPPZHAMMFPB-BPCQOVAHSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]([NH2+]CC)C1CCCCC1	42395881	166203838	/nfs/dbraw/zinc/20/38/38/166203838.db2.gz	KNITUKFAIKXJMQ-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H]([NH3+])c1ccc2ccccc2c1	54440478	166203848	/nfs/dbraw/zinc/20/38/48/166203848.db2.gz	NQRQKHFRLBZQTH-AWEZNQCLSA-N	1	0	197.281	3.416	10	30		AGEERO
C=CC[C@H]([NH2+]CCC)C1CCCC1	42396098	166203849	/nfs/dbraw/zinc/20/38/49/166203849.db2.gz	QPBLNPOJAXNJRE-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H]([NH2+]C)c1cccc(Cl)c1	42395352	166203867	/nfs/dbraw/zinc/20/38/67/166203867.db2.gz	RHBXNUGSXXVIOR-NSHDSACASA-N	1	0	195.693	3.177	10	30		AGEERO
C=CC[C@H]([NH2+]CC)c1cccc(C)c1	42395794	166203894	/nfs/dbraw/zinc/20/38/94/166203894.db2.gz	YTJDYQFYZKQDIH-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CC[C@H]([NH3+])c1ccc(Cl)cc1F	62786014	166203895	/nfs/dbraw/zinc/20/38/95/166203895.db2.gz	LYKCQQCDMSYQGD-JTQLQIEISA-N	1	0	199.656	3.055	10	30		AGEERO
C=CC[C@H]([NH3+])c1ccc(F)cc1Cl	61846353	166203897	/nfs/dbraw/zinc/20/38/97/166203897.db2.gz	HMMAKYDZJNKTBC-JTQLQIEISA-N	1	0	199.656	3.055	10	30		AGEERO
C=CC[C@H]([NH2+]C)c1ccccc1Cl	50438824	166203936	/nfs/dbraw/zinc/20/39/36/166203936.db2.gz	YZHOJYCVERHHBE-NSHDSACASA-N	1	0	195.693	3.177	10	30		AGEERO
C=CC[C@H]([NH2+]CC)c1cccc(F)c1	42395015	166203943	/nfs/dbraw/zinc/20/39/43/166203943.db2.gz	JHOXXXGUVLYOFA-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CC[C@H]([NH2+]CC)c1ccc(F)cc1	42394990	166203962	/nfs/dbraw/zinc/20/39/62/166203962.db2.gz	YYHTYXOPNWPLKO-LBPRGKRZSA-N	1	0	193.265	3.052	10	30		AGEERO
C=CC[C@H](CCC(C)C)[NH2+]CCC	43374613	166203974	/nfs/dbraw/zinc/20/39/74/166203974.db2.gz	RWVKQSCEAJDHJQ-GFCCVEGCSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@H]([NH2+]CCC)c1cccs1	42395061	166203980	/nfs/dbraw/zinc/20/39/80/166203980.db2.gz	NBCOOIGFETWWSY-JTQLQIEISA-N	1	0	195.331	3.365	10	30		AGEERO
C=CC[C@H]([NH2+]CC)c1ccc(C)cc1	42395335	166204044	/nfs/dbraw/zinc/20/40/44/166204044.db2.gz	HELQXRHONUYOAF-ZDUSSCGKSA-N	1	0	189.302	3.222	10	30		AGEERO
C=CC[C@H]([NH2+]CCC)c1ccsc1	42395514	166204050	/nfs/dbraw/zinc/20/40/50/166204050.db2.gz	YDOFQKXVXBCTBB-NSHDSACASA-N	1	0	195.331	3.365	10	30		AGEERO
C=CC[C@H]1CC=C[C@@H](CCCC)[NH2+]1	34516814	166204888	/nfs/dbraw/zinc/20/48/88/166204888.db2.gz	ZNHVJAGXCZMYOE-NWDGAFQWSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@H]1CCC[C@@H](C=C(C)C)[NH2+]1	21982097	166204958	/nfs/dbraw/zinc/20/49/58/166204958.db2.gz	KYHKYVVLMVUBDF-RYUDHWBXSA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[C@H]1CCC[C@H](C=C(C)C)[NH2+]1	21982099	166205043	/nfs/dbraw/zinc/20/50/43/166205043.db2.gz	KYHKYVVLMVUBDF-NWDGAFQWSA-N	1	0	179.307	3.039	10	30		AGEERO
CC(C)(C)/N=C/C=C/c1ccco1	34179717	166342946	/nfs/dbraw/zinc/34/29/46/166342946.db2.gz	MILVUVZJZIGBSG-RZYXTZOYSA-N	1	0	177.247	3.162	10	30		AGEERO
CC(C)(C)C=C=[NH+]C(C)(C)C	2535757	166348597	/nfs/dbraw/zinc/34/85/97/166348597.db2.gz	OIWMFLKZGCEUCN-UHFFFAOYSA-N	1	0	153.269	3.057	10	30		AGEERO
CC(C)(C)[NH+]=C1CCCCC1	39242808	166361089	/nfs/dbraw/zinc/36/10/89/166361089.db2.gz	OJZIBHZTNVZYEE-UHFFFAOYSA-N	1	0	153.269	3.190	10	30		AGEERO
CC(C)[NH+]=C1[C@@H](C)CCC[C@@H]1C	104839497	166526783	/nfs/dbraw/zinc/52/67/83/166526783.db2.gz	KLXSJQLKJZIXNA-UWVGGRQHSA-N	1	0	167.296	3.292	10	30		AGEERO
CC(C)[NH+]=C1[C@H](C)CCC[C@H]1C	104839502	166527969	/nfs/dbraw/zinc/52/79/69/166527969.db2.gz	KLXSJQLKJZIXNA-NXEZZACHSA-N	1	0	167.296	3.292	10	30		AGEERO
CC/C=[NH+]/[C@H](C)c1ccccc1	34413147	166660167	/nfs/dbraw/zinc/66/01/67/166660167.db2.gz	UHVWRYGIKJCQIN-QSARLWQPSA-N	1	0	161.248	3.228	10	30		AGEERO
CCC=[NH+]n1cc(C)c2ccccc21	255975682	166816394	/nfs/dbraw/zinc/81/63/94/166816394.db2.gz	HAPDTGGOWRVVKA-UHFFFAOYSA-N	1	0	186.258	3.194	10	30		AGEERO
CCCCCCC[C@@H]1CCC[NH2+]1	3732224	166851331	/nfs/dbraw/zinc/85/13/31/166851331.db2.gz	QMEZJRZPBIGNKV-LLVKDONJSA-N	1	0	169.312	3.099	10	30		AGEERO
CCC[C@@H](C)C[N@H+](CCC#N)C(C)C	51320457	167029225	/nfs/dbraw/zinc/02/92/25/167029225.db2.gz	IYRXUVILSDWZQB-GFCCVEGCSA-N	1	0	196.338	3.047	10	30		AGEERO
CCC[C@H](C)C[N@H+](CCC#N)C(C)C	51320459	167063436	/nfs/dbraw/zinc/06/34/36/167063436.db2.gz	IYRXUVILSDWZQB-LBPRGKRZSA-N	1	0	196.338	3.047	10	30		AGEERO
CC(C)/C=[NH+]/[C@H](C)c1ccccc1	32600583	171050989	/nfs/dbraw/zinc/05/09/89/171050989.db2.gz	OCCGVLCERPLJTF-VSXLWIIGSA-N	1	0	175.275	3.474	10	30		AGEERO
CCC/C=[NH+]/CCCCC	71671053	171108469	/nfs/dbraw/zinc/10/84/69/171108469.db2.gz	WJEWYFUIQXTFNS-CSKARUKUSA-N	1	0	141.258	3.048	10	30		AGEERO
CCCCCCCCCC(=[NH2+])NO	3108668	171163370	/nfs/dbraw/zinc/16/33/70/171163370.db2.gz	BGTGSIOGLSAMRA-UHFFFAOYSA-N	1	0	186.299	3.083	10	30		AGEERO
CCCCCCCC(C)(C)[NH3+]	2002502	171163381	/nfs/dbraw/zinc/16/33/81/171163381.db2.gz	IGNPXHJOMLPZOL-UHFFFAOYSA-N	1	0	157.301	3.084	10	30		AGEERO
C=CCCC/C=C\C[NH+]1CCCCC1	109005727	171206802	/nfs/dbraw/zinc/20/68/02/171206802.db2.gz	VPOOFXQWESQLHA-VURMDHGXSA-N	1	0	193.334	3.385	10	30		AGEERO
CC[C@H](C)/[NH+]=C/c1ccc(C)cc1	219133649	344420184	/nfs/dbraw/zinc/42/01/84/344420184.db2.gz	HUBDZIIOYJCWHQ-GJSJWPQCSA-N	1	0	175.275	3.212	10	30		AGEERO
C=C(C)C[NH2+][C@H]1CCC12CCCCC2	230179118	344628045	/nfs/dbraw/zinc/62/80/45/344628045.db2.gz	PVFDIBONKIGNIJ-LBPRGKRZSA-N	1	0	193.334	3.265	10	30		AGEERO
C=C(C)CCC1=C[C@H]([NH3+])CCCC1	230170146	344628075	/nfs/dbraw/zinc/62/80/75/344628075.db2.gz	OYUCTGUAEHFHAA-GFCCVEGCSA-N	1	0	179.307	3.170	10	30		AGEERO
C=C(C)C[NH2+][C@@H]1CCC12CCCCC2	230179115	344628154	/nfs/dbraw/zinc/62/81/54/344628154.db2.gz	PVFDIBONKIGNIJ-GFCCVEGCSA-N	1	0	193.334	3.265	10	30		AGEERO
C=C(C)CCC1=C[C@@H]([NH3+])CCCC1	230170143	344628164	/nfs/dbraw/zinc/62/81/64/344628164.db2.gz	OYUCTGUAEHFHAA-LBPRGKRZSA-N	1	0	179.307	3.170	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1ccc(Cl)c(F)c1	232564564	344683349	/nfs/dbraw/zinc/68/33/49/344683349.db2.gz	POPVRTGFBMLAEE-JTQLQIEISA-N	1	0	199.656	3.055	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1ccc(C)cc1Cl	232564530	344683372	/nfs/dbraw/zinc/68/33/72/344683372.db2.gz	GYCGFAXWVQUNOH-NSHDSACASA-N	1	0	195.693	3.224	10	30		AGEERO
C=C[C@H]([NH3+])c1ccc2sccc2c1	238610741	344815700	/nfs/dbraw/zinc/81/57/00/344815700.db2.gz	QTMBFGCCUSDEAX-JTQLQIEISA-N	1	0	189.283	3.087	10	30		AGEERO
C=C(CC)CNc1cc(C)[nH+]c(C)c1	306177809	345068491	/nfs/dbraw/zinc/06/84/91/345068491.db2.gz	OWJXLWVOBQDPHK-UHFFFAOYSA-N	1	0	190.290	3.077	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@H]1CCCC12CCCC2	306681686	345543252	/nfs/dbraw/zinc/54/32/52/345543252.db2.gz	OVGOEEZYMZSGEE-NEPJUHHUSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[N@H+]1CCC[C@@H]1CC(C)(C)C	308158406	346263596	/nfs/dbraw/zinc/26/35/96/346263596.db2.gz	SSSUBDKGMIGBPT-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@H+]1CCC[C@H]1CC(C)(C)C	308158407	346263626	/nfs/dbraw/zinc/26/36/26/346263626.db2.gz	SSSUBDKGMIGBPT-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](CCCCC)C(C)C	379355528	346505056	/nfs/dbraw/zinc/50/50/56/346505056.db2.gz	AHIGDRXUQCARGP-UHFFFAOYSA-N	1	0	183.339	3.463	10	30		AGEERO
C[C@H](CCC(C)(C)C)[NH2+]CCCC#N	379642123	346527918	/nfs/dbraw/zinc/52/79/18/346527918.db2.gz	VSZXOQVFZPEBNQ-LLVKDONJSA-N	1	0	196.338	3.095	10	30		AGEERO
C=C(C)C[N@H+]1CCCC[C@H]1[C@H](C)CC	606433974	346982390	/nfs/dbraw/zinc/98/23/90/346982390.db2.gz	FNBWADJOOFJNEM-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@@H+](C)C1CCCCCC1	606896241	346984970	/nfs/dbraw/zinc/98/49/70/346984970.db2.gz	BBVMNFWCEUEGHL-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[N@H+]1CCCCC[C@@H]1CC(C)C	607156882	346989641	/nfs/dbraw/zinc/98/96/41/346989641.db2.gz	BPUQKDWGIPIPRR-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[N@@H+](C)CCC1CCCC1	607735215	346994227	/nfs/dbraw/zinc/99/42/27/346994227.db2.gz	QZAHPGLIEVUDEB-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[N@H+]1CCCCC[C@H]1CC(C)C	607156883	346989526	/nfs/dbraw/zinc/98/95/26/346989526.db2.gz	BPUQKDWGIPIPRR-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H](C)[C@@H]1C[C@@H]1C	623593184	347259562	/nfs/dbraw/zinc/25/95/62/347259562.db2.gz	XYPQOCBYSQJWTF-QJPTWQEYSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C(C)CC[N@@H+]1C[C@@H]2CCCC[C@@]21C	626103801	347297243	/nfs/dbraw/zinc/29/72/43/347297243.db2.gz	QJQZBMOKAVUOPO-STQMWFEESA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(CC)C[N@@H+]1C[C@@H]2CCCC[C@@]21C	626103786	347298036	/nfs/dbraw/zinc/29/80/36/347298036.db2.gz	PLFJWBRMMKFSLM-STQMWFEESA-N	1	0	193.334	3.217	10	30		AGEERO
C#[N+]c1ccc(C#N)c2ccccc12	95698233	351671826	/nfs/dbraw/zinc/67/18/26/351671826.db2.gz	KYHXVDJOMFAENT-UHFFFAOYSA-N	1	0	178.194	3.262	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H]1C	527735730	325649425	/nfs/dbraw/zinc/64/94/25/325649425.db2.gz	LUQIBQFWBFOMNB-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1CC[C@H](C)C1	527733003	325649474	/nfs/dbraw/zinc/64/94/74/325649474.db2.gz	AVYDREISFMALFU-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1CC[C@@H](C)C1	527733005	325649562	/nfs/dbraw/zinc/64/95/62/325649562.db2.gz	AVYDREISFMALFU-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+]C1CCCC1	527733616	325649607	/nfs/dbraw/zinc/64/96/07/325649607.db2.gz	DMZPLTPMPBBASC-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1CC[C@@H]1CC	527930886	325653742	/nfs/dbraw/zinc/65/37/42/325653742.db2.gz	ZVOBCICQCQCHJF-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C1CC[NH+](CC2CC(C)(C)C2)CC1	528384954	325657061	/nfs/dbraw/zinc/65/70/61/325657061.db2.gz	YUDLSZKNCFTYBQ-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
CC/C=[NH+]/C12CC3CC(CC(C3)C1)C2	4863265	342996529	/nfs/dbraw/zinc/99/65/29/342996529.db2.gz	HKENMYWYWDFBTF-LZWSPWQCSA-N	1	0	191.318	3.436	10	30		AGEERO
CCC/C=[NH+]/Cc1ccccc1	32600549	343102738	/nfs/dbraw/zinc/10/27/38/343102738.db2.gz	BCJSPSFJNKZILR-FMIVXFBMSA-N	1	0	161.248	3.058	10	30		AGEERO
C=CCC(C)(C)[NH2+]Cc1ccccc1	34529566	343121059	/nfs/dbraw/zinc/12/10/59/343121059.db2.gz	RPHYXOASHGMIAK-UHFFFAOYSA-N	1	0	189.302	3.131	10	30		AGEERO
CCC/C=[NH+]/CCCCCC	38665345	343190190	/nfs/dbraw/zinc/19/01/90/343190190.db2.gz	KGPCUYNYBZWFLJ-PKNBQFBNSA-N	1	0	155.285	3.438	10	30		AGEERO
CC[C@@H](C)[NH+]=C1CCCCC1	39249481	343208382	/nfs/dbraw/zinc/20/83/82/343208382.db2.gz	MJTLYQOMIPHCSR-SECBINFHSA-N	1	0	153.269	3.190	10	30		AGEERO
CC[C@H](C)[NH+]=C1CCCCC1	39249482	343208482	/nfs/dbraw/zinc/20/84/82/343208482.db2.gz	MJTLYQOMIPHCSR-VIFPVBQESA-N	1	0	153.269	3.190	10	30		AGEERO
CC(C)(C)/[NH+]=C/c1ccc(F)cc1	39433756	343212483	/nfs/dbraw/zinc/21/24/83/343212483.db2.gz	YIOBYMMHJKDUEH-MDWZMJQESA-N	1	0	179.238	3.043	10	30		AGEERO
CCCCC[N@H+](CCCC#N)C(C)C	47953412	343273421	/nfs/dbraw/zinc/27/34/21/343273421.db2.gz	AGVGEDWHXAXICO-UHFFFAOYSA-N	1	0	196.338	3.191	10	30		AGEERO
CCCC(=[NH2+])NC1CCCCCCC1	59925997	343348882	/nfs/dbraw/zinc/34/88/82/343348882.db2.gz	DYDBOLDLLRQWTM-UHFFFAOYSA-N	1	0	196.338	3.257	10	30		AGEERO
CC(C)C(=[NH2+])NC1CCCCCCC1	59925978	343348995	/nfs/dbraw/zinc/34/89/95/343348995.db2.gz	JQGOGVZBNPVPPE-UHFFFAOYSA-N	1	0	196.338	3.113	10	30		AGEERO
C=CC[C@H]([NH3+])c1ccc(F)c(Cl)c1	62792221	343380016	/nfs/dbraw/zinc/38/00/16/343380016.db2.gz	CHFYPPHBHWYFHW-JTQLQIEISA-N	1	0	199.656	3.055	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1ccc(F)c(C)c1	70594546	343500009	/nfs/dbraw/zinc/50/00/09/343500009.db2.gz	LVFWPDMURNPFCK-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
C=CCC[C@H]([NH3+])c1ccc(F)c(C)c1	70594547	343500012	/nfs/dbraw/zinc/50/00/12/343500012.db2.gz	LVFWPDMURNPFCK-LBPRGKRZSA-N	1	0	193.265	3.100	10	30		AGEERO
C=CCC[C@H]([NH3+])c1ccc(CC)cc1	70594152	343500167	/nfs/dbraw/zinc/50/01/67/343500167.db2.gz	SKFMQRKHEOHLNT-ZDUSSCGKSA-N	1	0	189.302	3.215	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1ccc(C)c(F)c1	70594195	343500258	/nfs/dbraw/zinc/50/02/58/343500258.db2.gz	CKGMWVAHAYKKJZ-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1cc(F)ccc1C	70594856	343500283	/nfs/dbraw/zinc/50/02/83/343500283.db2.gz	SJGCAAWGVPVVDQ-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1ccc(CC)cc1	70594151	343500306	/nfs/dbraw/zinc/50/03/06/343500306.db2.gz	SKFMQRKHEOHLNT-CYBMUJFWSA-N	1	0	189.302	3.215	10	30		AGEERO
C=CCC[C@H]([NH3+])c1ccc(C)c(F)c1	70594196	343500392	/nfs/dbraw/zinc/50/03/92/343500392.db2.gz	CKGMWVAHAYKKJZ-LBPRGKRZSA-N	1	0	193.265	3.100	10	30		AGEERO
CC[C@H](C)C[N@H+](CC)CCCCC#N	86437666	343651963	/nfs/dbraw/zinc/65/19/63/343651963.db2.gz	DYZRAGHJJBKZIR-LBPRGKRZSA-N	1	0	196.338	3.048	10	30		AGEERO
CCCCCCC[N+]1(C)CCCC1	100293729	343714783	/nfs/dbraw/zinc/71/47/83/343714783.db2.gz	XZDPRAGZNFQVIM-UHFFFAOYSA-N	1	0	184.347	3.197	10	30		AGEERO
C=CCC[N@@H+](CC)Cc1ccccc1	114996622	343765493	/nfs/dbraw/zinc/76/54/93/343765493.db2.gz	BPQBWRFPFAPKKX-UHFFFAOYSA-N	1	0	189.302	3.085	10	30		AGEERO
CCCCCCC/C=C/C=C/C[NH3+]	118285067	343775001	/nfs/dbraw/zinc/77/50/01/343775001.db2.gz	OELWYSZECUWYJI-BNFZFUHLSA-N	1	0	181.323	3.418	10	30		AGEERO
C=CC[C@H]([NH3+])CCCCCCC	126198019	343792710	/nfs/dbraw/zinc/79/27/10/343792710.db2.gz	PPSLXRXUUMIZTF-NSHDSACASA-N	1	0	169.312	3.250	10	30		AGEERO
C=CC[C@@H]([NH3+])CCCCCCC	126197792	343792942	/nfs/dbraw/zinc/79/29/42/343792942.db2.gz	PPSLXRXUUMIZTF-LLVKDONJSA-N	1	0	169.312	3.250	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1coc2ccccc12	128679948	343835490	/nfs/dbraw/zinc/83/54/90/343835490.db2.gz	WCVIPCCYXMTLQW-LBPRGKRZSA-N	1	0	187.242	3.009	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1coc2ccccc12	128680198	343835592	/nfs/dbraw/zinc/83/55/92/343835592.db2.gz	WCVIPCCYXMTLQW-GFCCVEGCSA-N	1	0	187.242	3.009	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1cc(C)cc(C)c1	128923374	343839996	/nfs/dbraw/zinc/83/99/96/343839996.db2.gz	PHZZOQWKBCYWEJ-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@H]([NH3+])c1cc(C)cc(C)c1	128923587	343840625	/nfs/dbraw/zinc/84/06/25/343840625.db2.gz	PHZZOQWKBCYWEJ-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1cc(C)ccc1F	128964412	343841183	/nfs/dbraw/zinc/84/11/83/343841183.db2.gz	XVVQRVCSGDSGMI-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
C=CCC[C@H]([NH3+])c1cc(C)ccc1F	128964662	343841254	/nfs/dbraw/zinc/84/12/54/343841254.db2.gz	XVVQRVCSGDSGMI-LBPRGKRZSA-N	1	0	193.265	3.100	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1ccc(C)c(C)c1	128964028	343841328	/nfs/dbraw/zinc/84/13/28/343841328.db2.gz	CTNFPHVKTGXVAV-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@H]([NH3+])c1ccc(C)cc1C	128959397	343841336	/nfs/dbraw/zinc/84/13/36/343841336.db2.gz	JDBKXVOUSQFCMH-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@H]([NH3+])c1ccc(C)c(C)c1	128964184	343841389	/nfs/dbraw/zinc/84/13/89/343841389.db2.gz	CTNFPHVKTGXVAV-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@H]([NH3+])c1cc(C)ccc1C	128987779	343841713	/nfs/dbraw/zinc/84/17/13/343841713.db2.gz	SNBZGWSVYCWXAM-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1cc(C)ccc1C	128987529	343841948	/nfs/dbraw/zinc/84/19/48/343841948.db2.gz	SNBZGWSVYCWXAM-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1cccc(C)c1C	129100643	343843716	/nfs/dbraw/zinc/84/37/16/343843716.db2.gz	JEBCKSLJRFVAJW-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1sccc1C	129070573	343843743	/nfs/dbraw/zinc/84/37/43/343843743.db2.gz	LAMGRRAWJOXWTM-SECBINFHSA-N	1	0	181.304	3.023	10	30		AGEERO
C=CCC[C@H]([NH3+])c1sccc1C	129070754	343843863	/nfs/dbraw/zinc/84/38/63/343843863.db2.gz	LAMGRRAWJOXWTM-VIFPVBQESA-N	1	0	181.304	3.023	10	30		AGEERO
C=CCC[C@H]([NH3+])c1cccc(C)c1C	129100859	343843973	/nfs/dbraw/zinc/84/39/73/343843973.db2.gz	JEBCKSLJRFVAJW-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1ccc(C)s1	129123336	343844388	/nfs/dbraw/zinc/84/43/88/343844388.db2.gz	UHCLVGWTPFCTJT-SECBINFHSA-N	1	0	181.304	3.023	10	30		AGEERO
C=CCC[C@H]([NH3+])c1ccc(C)s1	129123563	343844442	/nfs/dbraw/zinc/84/44/42/343844442.db2.gz	UHCLVGWTPFCTJT-VIFPVBQESA-N	1	0	181.304	3.023	10	30		AGEERO
C=CCC[C@@H]([NH3+])c1ccc(CC)s1	129104485	343844554	/nfs/dbraw/zinc/84/45/54/343844554.db2.gz	NLBLXBBJQBHKCI-SNVBAGLBSA-N	1	0	195.331	3.277	10	30		AGEERO
C=CCC[C@H]([NH3+])c1ccc(CC)s1	129104713	343844597	/nfs/dbraw/zinc/84/45/97/343844597.db2.gz	NLBLXBBJQBHKCI-JTQLQIEISA-N	1	0	195.331	3.277	10	30		AGEERO
C=C[C@H]([NH3+])c1cc2sccc2s1	130712613	343873463	/nfs/dbraw/zinc/87/34/63/343873463.db2.gz	JWDJEDGKVHFPSW-LURJTMIESA-N	1	0	195.312	3.149	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1cccc(C)c1F	130832909	343875836	/nfs/dbraw/zinc/87/58/36/343875836.db2.gz	YGTNNDUBADITHY-LLVKDONJSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1cc(C)cc(C)c1	130778458	343875052	/nfs/dbraw/zinc/87/50/52/343875052.db2.gz	UHABQGFGEKDJOJ-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1cc(C)cc(C)c1	130778248	343875136	/nfs/dbraw/zinc/87/51/36/343875136.db2.gz	UHABQGFGEKDJOJ-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1ccc(C)cc1C	130812859	343875340	/nfs/dbraw/zinc/87/53/40/343875340.db2.gz	VPZKGZDJSQVNGZ-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1ccc(C)c(C)c1	130817747	343875389	/nfs/dbraw/zinc/87/53/89/343875389.db2.gz	FGDHXLVEKYMQCK-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1cc(C)ccc1F	130818190	343875558	/nfs/dbraw/zinc/87/55/58/343875558.db2.gz	ZHLLSKTVTAKUDP-LBPRGKRZSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1ccc(C)c(C)c1	130817548	343875941	/nfs/dbraw/zinc/87/59/41/343875941.db2.gz	FGDHXLVEKYMQCK-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1cc(C)ccc1F	130817958	343875953	/nfs/dbraw/zinc/87/59/53/343875953.db2.gz	ZHLLSKTVTAKUDP-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1ccc(C)cc1C	130813083	343875975	/nfs/dbraw/zinc/87/59/75/343875975.db2.gz	VPZKGZDJSQVNGZ-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1cccc(C)c1F	130833101	343875981	/nfs/dbraw/zinc/87/59/81/343875981.db2.gz	YGTNNDUBADITHY-NSHDSACASA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1cc(C)ccc1C	130840205	343876413	/nfs/dbraw/zinc/87/64/13/343876413.db2.gz	BBONSGSNCPJPAC-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1cc(C)ccc1C	130840420	343876588	/nfs/dbraw/zinc/87/65/88/343876588.db2.gz	BBONSGSNCPJPAC-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1ccc(C)cc1F	130884430	343877066	/nfs/dbraw/zinc/87/70/66/343877066.db2.gz	FFPKVCRZYTYIMR-LBPRGKRZSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1ccc(C)cc1F	130884251	343877288	/nfs/dbraw/zinc/87/72/88/343877288.db2.gz	FFPKVCRZYTYIMR-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1ccc(CC)s1	130954684	343877563	/nfs/dbraw/zinc/87/75/63/343877563.db2.gz	ZAJDDKRWKNFWQA-SNVBAGLBSA-N	1	0	195.331	3.277	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1cccc(C)c1C	130950740	343877569	/nfs/dbraw/zinc/87/75/69/343877569.db2.gz	FJRMTXFWIPFCQA-CYBMUJFWSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1sccc1C	130922275	343877669	/nfs/dbraw/zinc/87/76/69/343877669.db2.gz	BLPACISSVOQDQO-SECBINFHSA-N	1	0	181.304	3.023	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1ccc(CC)s1	130954875	343877786	/nfs/dbraw/zinc/87/77/86/343877786.db2.gz	ZAJDDKRWKNFWQA-JTQLQIEISA-N	1	0	195.331	3.277	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1cccc(C)c1C	130950953	343877809	/nfs/dbraw/zinc/87/78/09/343877809.db2.gz	FJRMTXFWIPFCQA-ZDUSSCGKSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1ccc(C)s1	130973282	343878139	/nfs/dbraw/zinc/87/81/39/343878139.db2.gz	JNYGPDODUCNMGM-SECBINFHSA-N	1	0	181.304	3.023	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)c1cc(C)cc(C)c1	131273562	343883237	/nfs/dbraw/zinc/88/32/37/343883237.db2.gz	IUIJFWWTNUAZAY-ZDUSSCGKSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)c1cc(C)cc(C)c1	131273455	343883547	/nfs/dbraw/zinc/88/35/47/343883547.db2.gz	IUIJFWWTNUAZAY-CYBMUJFWSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1c(F)cccc1Cl	131339587	343883889	/nfs/dbraw/zinc/88/38/89/343883889.db2.gz	SXTOYIQTYCDYLI-JTQLQIEISA-N	1	0	199.656	3.055	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1ccc(Cl)c(C)c1	131361850	343884413	/nfs/dbraw/zinc/88/44/13/343884413.db2.gz	CFKSOUPEFXREEJ-NSHDSACASA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1cccc(F)c1Cl	131380273	343884438	/nfs/dbraw/zinc/88/44/38/343884438.db2.gz	LPGROMDMVPJHIM-JTQLQIEISA-N	1	0	199.656	3.055	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1cc(Cl)ccc1C	131368227	343884525	/nfs/dbraw/zinc/88/45/25/343884525.db2.gz	MANPUDKDEIVPLA-LLVKDONJSA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1cccc(C)c1Cl	131367603	343884579	/nfs/dbraw/zinc/88/45/79/343884579.db2.gz	GOMDFNPIVQKRGF-NSHDSACASA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1ccc(Cl)c(C)c1	131361669	343884647	/nfs/dbraw/zinc/88/46/47/343884647.db2.gz	CFKSOUPEFXREEJ-LLVKDONJSA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1cc(Cl)ccc1C	131368466	343884704	/nfs/dbraw/zinc/88/47/04/343884704.db2.gz	MANPUDKDEIVPLA-NSHDSACASA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1cccc(C)c1Cl	131367385	343884764	/nfs/dbraw/zinc/88/47/64/343884764.db2.gz	GOMDFNPIVQKRGF-LLVKDONJSA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1cccc(F)c1Cl	131380474	343884806	/nfs/dbraw/zinc/88/48/06/343884806.db2.gz	LPGROMDMVPJHIM-SNVBAGLBSA-N	1	0	199.656	3.055	10	30		AGEERO
CC(C)=[NH+][C@@H](C)c1ccccc1	135867251	343969536	/nfs/dbraw/zinc/96/95/36/343969536.db2.gz	XXDGBTARRGRFGV-JTQLQIEISA-N	1	0	161.248	3.228	10	30		AGEERO
C=CCC/C=[NH+]/C1CCCCC1	137858191	343987345	/nfs/dbraw/zinc/98/73/45/343987345.db2.gz	IKKYELRQLZXQGP-ZRDIBKRKSA-N	1	0	165.280	3.356	10	30		AGEERO
COc1ccc(/N=C(\C)C2CC2)cc1	144920757	344030118	/nfs/dbraw/zinc/03/01/18/344030118.db2.gz	RZOOKDLHDNMQQH-UKTHLTGXSA-N	1	0	189.258	3.198	10	30		AGEERO
COc1ccc(/N=C(/C)C2CC2)cc1	144920188	344030310	/nfs/dbraw/zinc/03/03/10/344030310.db2.gz	RZOOKDLHDNMQQH-LCYFTJDESA-N	1	0	189.258	3.198	10	30		AGEERO
C=C([NH+]1CCCCC1)C(C)(C)C	148647133	344057230	/nfs/dbraw/zinc/05/72/30/344057230.db2.gz	JBNGBGUZQWDQBL-UHFFFAOYSA-N	1	0	167.296	3.032	10	30		AGEERO
CC#CCC[C@]1(CC)CCCCC[NH2+]1	161211403	344187023	/nfs/dbraw/zinc/18/70/23/344187023.db2.gz	PXTMGBJYEBIDLW-CYBMUJFWSA-N	1	0	193.334	3.102	10	30		AGEERO
CC#CCC[C@@]1(CC)CCCCC[NH2+]1	161211270	344187125	/nfs/dbraw/zinc/18/71/25/344187125.db2.gz	PXTMGBJYEBIDLW-ZDUSSCGKSA-N	1	0	193.334	3.102	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1cc(C)cc(F)c1	162587928	344210500	/nfs/dbraw/zinc/21/05/00/344210500.db2.gz	PPIONOZXANOFON-LBPRGKRZSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1cc(C)cc(F)c1	162587794	344210512	/nfs/dbraw/zinc/21/05/12/344210512.db2.gz	PPIONOZXANOFON-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1cc(Cl)ccc1F	165128563	344258458	/nfs/dbraw/zinc/25/84/58/344258458.db2.gz	JMNSJTUOEMDVNZ-JTQLQIEISA-N	1	0	199.656	3.055	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1cc(Cl)ccc1F	165128690	344258512	/nfs/dbraw/zinc/25/85/12/344258512.db2.gz	JMNSJTUOEMDVNZ-SNVBAGLBSA-N	1	0	199.656	3.055	10	30		AGEERO
C=C(C)CC[C@]1(C)CCCCC[NH2+]1	169284488	344350324	/nfs/dbraw/zinc/35/03/24/344350324.db2.gz	IWZVAOKQPKWHFZ-LBPRGKRZSA-N	1	0	181.323	3.265	10	30		AGEERO
C=C(C)CC[C@@]1(C)CCCCC[NH2+]1	169284559	344350568	/nfs/dbraw/zinc/35/05/68/344350568.db2.gz	IWZVAOKQPKWHFZ-GFCCVEGCSA-N	1	0	181.323	3.265	10	30		AGEERO
CCCC/[NH+]=C(\C)CC(C)C	169284842	344350591	/nfs/dbraw/zinc/35/05/91/344350591.db2.gz	LBKWLRCJILKIIV-ZHACJKMWSA-N	1	0	155.285	3.294	10	30		AGEERO
C=CC[NH2+]C1(CC=C)CCCCC1	218079860	344409897	/nfs/dbraw/zinc/40/98/97/344409897.db2.gz	FLSCEXBJIHGTAU-UHFFFAOYSA-N	1	0	179.307	3.041	10	30		AGEERO
CC[C@@H](C)/[NH+]=C/c1ccc(C)cc1	219133564	344420141	/nfs/dbraw/zinc/42/01/41/344420141.db2.gz	HUBDZIIOYJCWHQ-VSXLWIIGSA-N	1	0	175.275	3.212	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@H]1CCC[C@@H](C)C1	219910235	344429351	/nfs/dbraw/zinc/42/93/51/344429351.db2.gz	ORJVXVGHRCOFQZ-WOPDTQHZSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@@H]1CCC[C@@H](CC)C1	219902324	344429370	/nfs/dbraw/zinc/42/93/70/344429370.db2.gz	SWZFDJJURXVKRE-UTUOFQBUSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@@H]1CCC[C@@H](C)C1	219910199	344429457	/nfs/dbraw/zinc/42/94/57/344429457.db2.gz	ORJVXVGHRCOFQZ-UTUOFQBUSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@H]1CCC[C@@H](CC)C1	219902367	344429560	/nfs/dbraw/zinc/42/95/60/344429560.db2.gz	SWZFDJJURXVKRE-WOPDTQHZSA-N	1	0	181.323	3.106	10	30		AGEERO
CC(C)[PH+](CCS)C(C)C	220504035	344432679	/nfs/dbraw/zinc/43/26/79/344432679.db2.gz	KMZNSNBRLFHCDV-UHFFFAOYSA-N	1	0	178.281	3.215	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1cccc(Cl)c1C	220445236	344432819	/nfs/dbraw/zinc/43/28/19/344432819.db2.gz	DMCYBDHGIQUMAT-NSHDSACASA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1cccc(Cl)c1C	220445167	344432879	/nfs/dbraw/zinc/43/28/79/344432879.db2.gz	DMCYBDHGIQUMAT-LLVKDONJSA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@@H]1CCCCC1(C)C	226859328	344515803	/nfs/dbraw/zinc/51/58/03/344515803.db2.gz	OCJUECWGKUMOIT-QWRGUYRKSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@H]1CCCCC1(C)C	226859341	344515940	/nfs/dbraw/zinc/51/59/40/344515940.db2.gz	OCJUECWGKUMOIT-MNOVXSKESA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)[C@@H]([NH3+])[C@@H]1CCCCC1(C)C	226859317	344516039	/nfs/dbraw/zinc/51/60/39/344516039.db2.gz	OCJUECWGKUMOIT-WDEREUQCSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)[C@@H]([NH3+])[C@H]1CCCCC1(C)C	226859336	344516073	/nfs/dbraw/zinc/51/60/73/344516073.db2.gz	OCJUECWGKUMOIT-GHMZBOCLSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@@H]1CCC[C@H](CC)C1	227572294	344535778	/nfs/dbraw/zinc/53/57/78/344535778.db2.gz	SWZFDJJURXVKRE-TUAOUCFPSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@@H]1CCC[C@H](C)C1	227577206	344536052	/nfs/dbraw/zinc/53/60/52/344536052.db2.gz	ORJVXVGHRCOFQZ-TUAOUCFPSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@H]1CCC[C@H](CC)C1	227572283	344536069	/nfs/dbraw/zinc/53/60/69/344536069.db2.gz	SWZFDJJURXVKRE-SRVKXCTJSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@H]1CCC[C@H](C)C1	227577199	344536232	/nfs/dbraw/zinc/53/62/32/344536232.db2.gz	ORJVXVGHRCOFQZ-SRVKXCTJSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(C)CC[C@H]1[NH2+]Cc2ccccc21	229086092	344581534	/nfs/dbraw/zinc/58/15/34/344581534.db2.gz	GUWZKDYLUUYVSS-CYBMUJFWSA-N	1	0	187.286	3.187	10	30		AGEERO
C=C(C)CC[C@@H]1[NH2+]Cc2ccccc21	229086080	344581586	/nfs/dbraw/zinc/58/15/86/344581586.db2.gz	GUWZKDYLUUYVSS-ZDUSSCGKSA-N	1	0	187.286	3.187	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@@H]1CCCCC1(C)C	229325195	344591174	/nfs/dbraw/zinc/59/11/74/344591174.db2.gz	SDJUNGXVJJPHSA-GHMZBOCLSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C[C@H](C)[NH2+][C@H]1CCCCC1(C)C	229325230	344591329	/nfs/dbraw/zinc/59/13/29/344591329.db2.gz	SDJUNGXVJJPHSA-QWRGUYRKSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C[C@H](C)[NH2+][C@@H]1CCCCC1(C)C	229325207	344591336	/nfs/dbraw/zinc/59/13/36/344591336.db2.gz	SDJUNGXVJJPHSA-WDEREUQCSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@H]1CCCCC1(C)C	229325219	344591391	/nfs/dbraw/zinc/59/13/91/344591391.db2.gz	SDJUNGXVJJPHSA-MNOVXSKESA-N	1	0	181.323	3.119	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1c(C)cccc1C	232451336	344677047	/nfs/dbraw/zinc/67/70/47/344677047.db2.gz	ZJDBOUMFDBBJKO-GFCCVEGCSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1c(C)cccc1C	232458887	344677887	/nfs/dbraw/zinc/67/78/87/344677887.db2.gz	ZJDBOUMFDBBJKO-LBPRGKRZSA-N	1	0	189.302	3.269	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1ccc(Cl)c(F)c1	232557092	344682210	/nfs/dbraw/zinc/68/22/10/344682210.db2.gz	POPVRTGFBMLAEE-SNVBAGLBSA-N	1	0	199.656	3.055	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1ccc(Cl)cc1C	232557133	344682224	/nfs/dbraw/zinc/68/22/24/344682224.db2.gz	BAOIDIDJDFHESB-LLVKDONJSA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1ccc(C)cc1Cl	232557051	344682369	/nfs/dbraw/zinc/68/23/69/344682369.db2.gz	GYCGFAXWVQUNOH-LLVKDONJSA-N	1	0	195.693	3.224	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1ccc(Cl)cc1C	232564637	344683249	/nfs/dbraw/zinc/68/32/49/344683249.db2.gz	BAOIDIDJDFHESB-NSHDSACASA-N	1	0	195.693	3.224	10	30		AGEERO
C=C[C@H]([NH2+]C)c1ccc(Cl)cc1C	234432070	344720495	/nfs/dbraw/zinc/72/04/95/344720495.db2.gz	YLKFQFYUTHEXNC-NSHDSACASA-N	1	0	195.693	3.095	10	30		AGEERO
C=C[C@@H]([NH2+]C)c1ccc(Cl)cc1C	234480534	344721569	/nfs/dbraw/zinc/72/15/69/344721569.db2.gz	YLKFQFYUTHEXNC-LLVKDONJSA-N	1	0	195.693	3.095	10	30		AGEERO
C=CC[C@H]([NH3+])c1cc(C)c(F)c(C)c1	238510925	344810229	/nfs/dbraw/zinc/81/02/29/344810229.db2.gz	WWTRRWFUKKGAHM-NSHDSACASA-N	1	0	193.265	3.018	10	30		AGEERO
C=CC[C@@H]([NH3+])c1cc(C)c(F)c(C)c1	238521900	344810548	/nfs/dbraw/zinc/81/05/48/344810548.db2.gz	WWTRRWFUKKGAHM-LLVKDONJSA-N	1	0	193.265	3.018	10	30		AGEERO
C=C[C@@H]([NH3+])c1cccc2ccsc12	238575112	344813778	/nfs/dbraw/zinc/81/37/78/344813778.db2.gz	UFJXDCJLLWCEMU-SNVBAGLBSA-N	1	0	189.283	3.087	10	30		AGEERO
C=C[C@H]([NH3+])c1cccc2ccsc12	238603445	344815468	/nfs/dbraw/zinc/81/54/68/344815468.db2.gz	UFJXDCJLLWCEMU-JTQLQIEISA-N	1	0	189.283	3.087	10	30		AGEERO
C=CC[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1	250514981	344835150	/nfs/dbraw/zinc/83/51/50/344835150.db2.gz	FXFPDRDINPBPKQ-FRRDWIJNSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1	250514988	344835189	/nfs/dbraw/zinc/83/51/89/344835189.db2.gz	FXFPDRDINPBPKQ-RWMBFGLXSA-N	1	0	193.334	3.121	10	30		AGEERO
CCC(C)(C)[C@@H]([NH3+])CC#CC(C)(C)C	300733403	344984321	/nfs/dbraw/zinc/98/43/21/344984321.db2.gz	GJXMVPPSKGDKPF-NSHDSACASA-N	1	0	195.350	3.190	10	30		AGEERO
CCC(C)(C)[C@H]([NH3+])CC#CC(C)(C)C	300733402	344984492	/nfs/dbraw/zinc/98/44/92/344984492.db2.gz	GJXMVPPSKGDKPF-LLVKDONJSA-N	1	0	195.350	3.190	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@H]1CCCC[C@H]1C	306149347	345038313	/nfs/dbraw/zinc/03/83/13/345038313.db2.gz	BWEKMNOJLKQXPE-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@@H]1CCCC[C@H]1C	306149367	345038414	/nfs/dbraw/zinc/03/84/14/345038414.db2.gz	BWEKMNOJLKQXPE-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@@H]1CCCC[C@@H]1C	306149356	345038525	/nfs/dbraw/zinc/03/85/25/345038525.db2.gz	BWEKMNOJLKQXPE-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)C[N@@H+](C)[C@H]1CCCC[C@@H]1C	306149361	345038632	/nfs/dbraw/zinc/03/86/32/345038632.db2.gz	BWEKMNOJLKQXPE-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@@H]2CCCC[C@H]21	306584890	345461931	/nfs/dbraw/zinc/46/19/31/345461931.db2.gz	GVLTUPCBKCKHPJ-YNEHKIRRSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@H]2CCCC[C@@H]21	306584884	345461993	/nfs/dbraw/zinc/46/19/93/345461993.db2.gz	GVLTUPCBKCKHPJ-FRRDWIJNSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@H]2CCCC[C@H]21	306584886	345462006	/nfs/dbraw/zinc/46/20/06/345462006.db2.gz	GVLTUPCBKCKHPJ-JHJVBQTASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[NH2+][C@@H]1CCC[C@@H]2CCCC[C@@H]21	306584888	345462172	/nfs/dbraw/zinc/46/21/72/345462172.db2.gz	GVLTUPCBKCKHPJ-RWMBFGLXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)C[C@@]1(C[NH3+])CCC[C@H](C)C1	306674315	345536105	/nfs/dbraw/zinc/53/61/05/345536105.db2.gz	QDKGQHCRONZOCF-RYUDHWBXSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(C)C[C@]1(C[NH3+])CCC[C@H](C)C1	306674314	345536288	/nfs/dbraw/zinc/53/62/88/345536288.db2.gz	QDKGQHCRONZOCF-NWDGAFQWSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(C)C[C@]1(C[NH3+])CCC[C@@H](C)C1	306674316	345536342	/nfs/dbraw/zinc/53/63/42/345536342.db2.gz	QDKGQHCRONZOCF-VXGBXAGGSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C(C)C[C@@]1(C[NH3+])CCC[C@@H](C)C1	306674313	345536395	/nfs/dbraw/zinc/53/63/95/345536395.db2.gz	QDKGQHCRONZOCF-NEPJUHHUSA-N	1	0	181.323	3.108	10	30		AGEERO
C=C[C@H](C)[NH2+][C@H]1CCCC12CCCC2	306681688	345543280	/nfs/dbraw/zinc/54/32/80/345543280.db2.gz	OVGOEEZYMZSGEE-RYUDHWBXSA-N	1	0	193.334	3.263	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@@H]1CCCC12CCCC2	306681689	345543363	/nfs/dbraw/zinc/54/33/63/345543363.db2.gz	OVGOEEZYMZSGEE-VXGBXAGGSA-N	1	0	193.334	3.263	10	30		AGEERO
C=C[C@H](C)[NH2+][C@@H]1CCCC12CCCC2	306681687	345543516	/nfs/dbraw/zinc/54/35/16/345543516.db2.gz	OVGOEEZYMZSGEE-NWDGAFQWSA-N	1	0	193.334	3.263	10	30		AGEERO
C#C[C@](C)(CC)[NH2+]C1CCCCCC1	306682275	345543618	/nfs/dbraw/zinc/54/36/18/345543618.db2.gz	QSRACTLJCGEZGL-CYBMUJFWSA-N	1	0	193.334	3.101	10	30		AGEERO
C#C[C@@](C)(CC)[NH2+]C1CCCCCC1	306682276	345544126	/nfs/dbraw/zinc/54/41/26/345544126.db2.gz	QSRACTLJCGEZGL-ZDUSSCGKSA-N	1	0	193.334	3.101	10	30		AGEERO
C=C(C)C[N@@H+](C)C1CCCCCC1	306698435	345553756	/nfs/dbraw/zinc/55/37/56/345553756.db2.gz	CNQPAUIJYCFAIU-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@H](C)C[C@@H]1C	306738985	345585588	/nfs/dbraw/zinc/58/55/88/345585588.db2.gz	BBMLTSYBBQJVLA-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@@H](C)C[C@H]1C	306738987	345585599	/nfs/dbraw/zinc/58/55/99/345585599.db2.gz	BBMLTSYBBQJVLA-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@@H](C)C[C@@H]1C	306738982	345585674	/nfs/dbraw/zinc/58/56/74/345585674.db2.gz	BBMLTSYBBQJVLA-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@H](C)C[C@H]1C	306738983	345585698	/nfs/dbraw/zinc/58/56/98/345585698.db2.gz	BBMLTSYBBQJVLA-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C1CCC[N@@H+](CCC(C)(C)C)C1	306826537	345641322	/nfs/dbraw/zinc/64/13/22/345641322.db2.gz	ZTDVWESMJMIBNZ-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(C)C[C@H]([NH3+])c1cccc(F)c1C	306831181	345644527	/nfs/dbraw/zinc/64/45/27/345644527.db2.gz	KACKQVARHQYTIZ-LBPRGKRZSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)C[C@@H]([NH3+])c1cccc(F)c1C	306831179	345644589	/nfs/dbraw/zinc/64/45/89/345644589.db2.gz	KACKQVARHQYTIZ-GFCCVEGCSA-N	1	0	193.265	3.100	10	30		AGEERO
C=C(C)C[N@@H+]1C[C@@H](CC)CC[C@H]1C	307254593	345925951	/nfs/dbraw/zinc/92/59/51/345925951.db2.gz	YBUARBSPFAQQKU-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)CC1=C[C@@H]([NH3+])C[C@H](C)C1	307391258	346012192	/nfs/dbraw/zinc/01/21/92/346012192.db2.gz	VQYZDFVBIRJAJE-PWSUYJOCSA-N	1	0	179.307	3.026	10	30		AGEERO
C=C(CC)CC1=C[C@H]([NH3+])C[C@H](C)C1	307391259	346012325	/nfs/dbraw/zinc/01/23/25/346012325.db2.gz	VQYZDFVBIRJAJE-ZYHUDNBSSA-N	1	0	179.307	3.026	10	30		AGEERO
C=C(CC)CC1=C[C@@H]([NH3+])C[C@@H](C)C1	307391257	346012333	/nfs/dbraw/zinc/01/23/33/346012333.db2.gz	VQYZDFVBIRJAJE-JQWIXIFHSA-N	1	0	179.307	3.026	10	30		AGEERO
C=C(CC)CC1=C[C@H]([NH3+])C[C@@H](C)C1	307391256	346012379	/nfs/dbraw/zinc/01/23/79/346012379.db2.gz	VQYZDFVBIRJAJE-CMPLNLGQSA-N	1	0	179.307	3.026	10	30		AGEERO
C=C(C)CNc1cc[nH+]c(C)c1Cl	307414046	346028629	/nfs/dbraw/zinc/02/86/29/346028629.db2.gz	IXMPSZKXEPOEIO-UHFFFAOYSA-N	1	0	196.681	3.031	10	30		AGEERO
C=CCC1(C[NH3+])CCCCCCC1	307427702	346034694	/nfs/dbraw/zinc/03/46/94/346034694.db2.gz	RUZOENLYPFUTCD-UHFFFAOYSA-N	1	0	181.323	3.252	10	30		AGEERO
C=CCC[N@@H+]1C[C@@H](C)CCC[C@H]1C	307638998	346162062	/nfs/dbraw/zinc/16/20/62/346162062.db2.gz	DQRHAEKXXGDFOQ-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[N@@H+]1C[C@H](C)CCC[C@@H]1C	307638997	346162201	/nfs/dbraw/zinc/16/22/01/346162201.db2.gz	DQRHAEKXXGDFOQ-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[N@@H+]1C[C@H](C)CCC[C@H]1C	307639002	346162250	/nfs/dbraw/zinc/16/22/50/346162250.db2.gz	DQRHAEKXXGDFOQ-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[N@@H+]1C[C@@H](C)CCC[C@@H]1C	307639000	346162304	/nfs/dbraw/zinc/16/23/04/346162304.db2.gz	DQRHAEKXXGDFOQ-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)[C@H]([NH3+])c1cc(F)ccc1Cl	307723613	346203539	/nfs/dbraw/zinc/20/35/39/346203539.db2.gz	VRUWDDYOQPCEAI-JTQLQIEISA-N	1	0	199.656	3.055	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1cc(F)ccc1Cl	307723614	346203561	/nfs/dbraw/zinc/20/35/61/346203561.db2.gz	VRUWDDYOQPCEAI-SNVBAGLBSA-N	1	0	199.656	3.055	10	30		AGEERO
C=CC[N@@H+](CCCCC)C(C)C	307941388	346238143	/nfs/dbraw/zinc/23/81/43/346238143.db2.gz	CMBPUHSMPAGUKN-UHFFFAOYSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CCCCCC[N@@H+](C)CCC	307966132	346243203	/nfs/dbraw/zinc/24/32/03/346243203.db2.gz	CAMDQWVSICODPH-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=CCCC[N@@H+](C)CCCCC	308034800	346251186	/nfs/dbraw/zinc/25/11/86/346251186.db2.gz	KDBBXIZAMOTOIX-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=CCCC[N@@H+](CC(C)C)C(C)C	308131724	346258209	/nfs/dbraw/zinc/25/82/09/346258209.db2.gz	BFVJSZYBFRMJEL-UHFFFAOYSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H]1CC(C)C	308131324	346258324	/nfs/dbraw/zinc/25/83/24/346258324.db2.gz	BABOUHYRFOXUCO-LBPRGKRZSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H]1CC(C)C	308131323	346258353	/nfs/dbraw/zinc/25/83/53/346258353.db2.gz	BABOUHYRFOXUCO-GFCCVEGCSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@@H+](CC(C)C)C1CC1	308136952	346259372	/nfs/dbraw/zinc/25/93/72/346259372.db2.gz	FVZCKIBNKRNSOJ-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@@H+](C)[C@H](C)CC(C)C	308147951	346261344	/nfs/dbraw/zinc/26/13/44/346261344.db2.gz	MSULZZBPOYGJDZ-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCCC[N@@H+](C)[C@@H](C)CC(C)C	308147952	346261518	/nfs/dbraw/zinc/26/15/18/346261518.db2.gz	MSULZZBPOYGJDZ-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@H](C)C(C)C	308170991	346265912	/nfs/dbraw/zinc/26/59/12/346265912.db2.gz	BKKLUIAFCFVQAX-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@@H](C)C(C)C	308170992	346266016	/nfs/dbraw/zinc/26/60/16/346266016.db2.gz	BKKLUIAFCFVQAX-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@](C)(CC)C1	308175201	346266602	/nfs/dbraw/zinc/26/66/02/346266602.db2.gz	DBRXBDHHAYNCAH-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCC[N@H+]1CCC[C@](C)(CC)C1	308175203	346266658	/nfs/dbraw/zinc/26/66/58/346266658.db2.gz	DBRXBDHHAYNCAH-LBPRGKRZSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[N@@H+](CC)C1CCCC1	308209941	346269669	/nfs/dbraw/zinc/26/96/69/346269669.db2.gz	FXOCLKVTBCXBNN-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[N@@H+](C)CCC(C)(C)C	308222390	346271611	/nfs/dbraw/zinc/27/16/11/346271611.db2.gz	DBIPHJYPFVBNOU-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CCCC[N@@H+]1C[C@@H](C)CC[C@H]1C	308219072	346271634	/nfs/dbraw/zinc/27/16/34/346271634.db2.gz	BIPZARBEDVYJPA-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@@H+]1C[C@@H](C)CC[C@@H]1C	308219076	346271725	/nfs/dbraw/zinc/27/17/25/346271725.db2.gz	BIPZARBEDVYJPA-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@@H+]1C[C@H](C)CC[C@@H]1C	308219068	346271877	/nfs/dbraw/zinc/27/18/77/346271877.db2.gz	BIPZARBEDVYJPA-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@@H+]1C[C@H](C)CC[C@H]1C	308219081	346271897	/nfs/dbraw/zinc/27/18/97/346271897.db2.gz	BIPZARBEDVYJPA-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@@H+](C)C1CCC(CC)CC1	308249083	346275370	/nfs/dbraw/zinc/27/53/70/346275370.db2.gz	APIYJEFLOMBJHK-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@H+]1CCCC[C@H]1[C@H](C)CC	308252734	346276691	/nfs/dbraw/zinc/27/66/91/346276691.db2.gz	CDNKZULYTUCWMO-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@H+]1CCCC[C@@H]1[C@H](C)CC	308252737	346276677	/nfs/dbraw/zinc/27/66/77/346276677.db2.gz	CDNKZULYTUCWMO-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@H+]1CCCC[C@@H]1[C@@H](C)CC	308252735	346276844	/nfs/dbraw/zinc/27/68/44/346276844.db2.gz	CDNKZULYTUCWMO-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@H+]1CCCC[C@H]1[C@@H](C)CC	308252736	346276946	/nfs/dbraw/zinc/27/69/46/346276946.db2.gz	CDNKZULYTUCWMO-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@H+]1CCCCC[C@@H]1C	308274420	346279966	/nfs/dbraw/zinc/27/99/66/346279966.db2.gz	UNMLXALKOIQBBV-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[N@H+]1CCCCC[C@H]1C	308274419	346280339	/nfs/dbraw/zinc/28/03/39/346280339.db2.gz	UNMLXALKOIQBBV-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[N@H+](C1CC1)[C@H](C)[C@@H](C)CC	308288192	346281960	/nfs/dbraw/zinc/28/19/60/346281960.db2.gz	FKLOTLFAUVJYMV-WDEREUQCSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[N@H+](C1CC1)[C@H](C)[C@H](C)CC	308288185	346282143	/nfs/dbraw/zinc/28/21/43/346282143.db2.gz	FKLOTLFAUVJYMV-GHMZBOCLSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[N@H+](C1CC1)[C@@H](C)[C@H](C)CC	308288188	346282214	/nfs/dbraw/zinc/28/22/14/346282214.db2.gz	FKLOTLFAUVJYMV-MNOVXSKESA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[N@H+](C1CC1)[C@@H](C)[C@@H](C)CC	308288190	346282235	/nfs/dbraw/zinc/28/22/35/346282235.db2.gz	FKLOTLFAUVJYMV-QWRGUYRKSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CCCC[N@H+]1CCCC(C)(C)C1	308291447	346282604	/nfs/dbraw/zinc/28/26/04/346282604.db2.gz	HJVKHDNFWGIZSZ-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[N@@H+](CC)CCCC	379332851	346500445	/nfs/dbraw/zinc/50/04/45/346500445.db2.gz	IFBSPHWHFBTSPC-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=CCCC[N@@H+](CCC)CC(C)C	379387394	346512976	/nfs/dbraw/zinc/51/29/76/346512976.db2.gz	HGJWUYNZQBBTDZ-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
CC[C@H]([NH2+]CCCCC#N)C(C)(C)C	379604302	346527171	/nfs/dbraw/zinc/52/71/71/346527171.db2.gz	PANZSHCRJSIJSJ-NSHDSACASA-N	1	0	196.338	3.095	10	30		AGEERO
CC[C@@H]([NH2+]CCCCC#N)C(C)(C)C	379604301	346527227	/nfs/dbraw/zinc/52/72/27/346527227.db2.gz	PANZSHCRJSIJSJ-LLVKDONJSA-N	1	0	196.338	3.095	10	30		AGEERO
C[C@@H](CCC(C)(C)C)[NH2+]CCCC#N	379642124	346528209	/nfs/dbraw/zinc/52/82/09/346528209.db2.gz	VSZXOQVFZPEBNQ-NSHDSACASA-N	1	0	196.338	3.095	10	30		AGEERO
C=CCCC[N@@H+](CCCC)C1CC1	388257912	346548466	/nfs/dbraw/zinc/54/84/66/346548466.db2.gz	AGQOUJNIRMHMIM-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCCC[N@@H+](C)CC(C)C	388581375	346559227	/nfs/dbraw/zinc/55/92/27/346559227.db2.gz	FGRLPBBMRKYKBR-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CCC[N@H+]1CCCCC[C@@H]1CC	393722609	346583214	/nfs/dbraw/zinc/58/32/14/346583214.db2.gz	IOEDLKMFMYKYOZ-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCC[N@H+]1CCCCC[C@H]1CC	393722608	346583289	/nfs/dbraw/zinc/58/32/89/346583289.db2.gz	IOEDLKMFMYKYOZ-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@H](CC)CC#N	398037111	346594433	/nfs/dbraw/zinc/59/44/33/346594433.db2.gz	NMEQZZLSPSOTCV-NWDGAFQWSA-N	1	0	194.322	3.013	10	30		AGEERO
C=CCCC[C@H](C)[NH2+][C@@H](CC)CC#N	398037112	346594533	/nfs/dbraw/zinc/59/45/33/346594533.db2.gz	NMEQZZLSPSOTCV-RYUDHWBXSA-N	1	0	194.322	3.013	10	30		AGEERO
C=CCCC[C@@H](C)[NH2+][C@H](CC)CC#N	398037114	346594542	/nfs/dbraw/zinc/59/45/42/346594542.db2.gz	NMEQZZLSPSOTCV-VXGBXAGGSA-N	1	0	194.322	3.013	10	30		AGEERO
C=CCCC[C@@H](C)[NH2+][C@@H](CC)CC#N	398037110	346594578	/nfs/dbraw/zinc/59/45/78/346594578.db2.gz	NMEQZZLSPSOTCV-NEPJUHHUSA-N	1	0	194.322	3.013	10	30		AGEERO
C=C(C)C[NH2+]Cc1csc(C)c1C	399970125	346599581	/nfs/dbraw/zinc/59/95/81/346599581.db2.gz	AZJDFGOVIOEDIV-UHFFFAOYSA-N	1	0	195.331	3.031	10	30		AGEERO
C=C[C@@H](C)[NH2+]Cc1csc(C)c1C	399901457	346599724	/nfs/dbraw/zinc/59/97/24/346599724.db2.gz	AEZGLTKPTDUWDW-MRVPVSSYSA-N	1	0	195.331	3.029	10	30		AGEERO
C=CCC[NH2+]Cc1csc(C)c1C	399998484	346599870	/nfs/dbraw/zinc/59/98/70/346599870.db2.gz	PUCUQEBHHOXVIO-UHFFFAOYSA-N	1	0	195.331	3.031	10	30		AGEERO
C=C[C@H](C)[NH2+]Cc1csc(C)c1C	399901460	346599967	/nfs/dbraw/zinc/59/99/67/346599967.db2.gz	AEZGLTKPTDUWDW-QMMMGPOBSA-N	1	0	195.331	3.029	10	30		AGEERO
C=C(F)C[C@@H]([NH3+])c1ccc(Cl)cc1	584610339	346726442	/nfs/dbraw/zinc/72/64/42/346726442.db2.gz	UOQOJMXKMSQEIH-SNVBAGLBSA-N	1	0	199.656	3.213	10	30		AGEERO
C=CCC[P@@H+](C)C(C)(C)C	584610871	346727630	/nfs/dbraw/zinc/72/76/30/346727630.db2.gz	SLJDROLLPNOJAN-UHFFFAOYSA-N	1	0	158.225	3.473	10	30		AGEERO
C=CC[N@@H+]1CCC2(CCCCCC2)C1	584624962	346732082	/nfs/dbraw/zinc/73/20/82/346732082.db2.gz	TUYBLVZPVHVGOF-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=C(C)C[N@@H+](C(CC)CC)C1CC1	588010332	346764648	/nfs/dbraw/zinc/76/46/48/346764648.db2.gz	CUDBBDKQNZKFSA-UHFFFAOYSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CC[N@@H+](CCC)Cc1ccccc1	588856157	346767456	/nfs/dbraw/zinc/76/74/56/346767456.db2.gz	CBXQGMKVPJILCH-UHFFFAOYSA-N	1	0	189.302	3.085	10	30		AGEERO
CCC(C)(C)[C@@H](C)[NH2+]CCCCC#N	590777861	346794396	/nfs/dbraw/zinc/79/43/96/346794396.db2.gz	DUMTXACSUPJZRU-LLVKDONJSA-N	1	0	196.338	3.095	10	30		AGEERO
CCC(C)(C)[C@H](C)[NH2+]CCCCC#N	590777862	346794439	/nfs/dbraw/zinc/79/44/39/346794439.db2.gz	DUMTXACSUPJZRU-NSHDSACASA-N	1	0	196.338	3.095	10	30		AGEERO
CCC(CC)CCC[N@H+](C)CCC#N	595837007	346867536	/nfs/dbraw/zinc/86/75/36/346867536.db2.gz	ZURRGKHDOHBBMM-UHFFFAOYSA-N	1	0	196.338	3.048	10	30		AGEERO
CCC[C@@H](C)CCC[N@H+](C)CCC#N	599306486	346902921	/nfs/dbraw/zinc/90/29/21/346902921.db2.gz	JPTRFQYQYNFYFP-GFCCVEGCSA-N	1	0	196.338	3.048	10	30		AGEERO
CCC[C@H](C)CCC[N@H+](C)CCC#N	599306487	346903237	/nfs/dbraw/zinc/90/32/37/346903237.db2.gz	JPTRFQYQYNFYFP-LBPRGKRZSA-N	1	0	196.338	3.048	10	30		AGEERO
C=CC1CC[NH+](CC2CCCC2)CC1	600683004	346915004	/nfs/dbraw/zinc/91/50/04/346915004.db2.gz	GHXRNSDDTNQXQH-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[N@@H+]1CCCC2(CCCCC2)C1	600744748	346916543	/nfs/dbraw/zinc/91/65/43/346916543.db2.gz	FRYPRLNHKWCANA-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
CCC(C)(C)[N@H+](C)C[C@H](C)CCC#N	602472359	346932643	/nfs/dbraw/zinc/93/26/43/346932643.db2.gz	GDVGWOULHHJRJU-LLVKDONJSA-N	1	0	196.338	3.047	10	30		AGEERO
CCC(C)(C)[N@H+](C)C[C@@H](C)CCC#N	602472360	346933173	/nfs/dbraw/zinc/93/31/73/346933173.db2.gz	GDVGWOULHHJRJU-NSHDSACASA-N	1	0	196.338	3.047	10	30		AGEERO
C=CC[N@H+]1CCC[C@@H](C(C)(C)C)CC1	604759450	346965425	/nfs/dbraw/zinc/96/54/25/346965425.db2.gz	HBCGYCIFGNRWDL-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[N@H+]1CCC[C@H](C(C)(C)C)CC1	604759451	346965439	/nfs/dbraw/zinc/96/54/39/346965439.db2.gz	HBCGYCIFGNRWDL-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(C)C[NH+]1CCC(C(C)(C)C)CC1	604759244	346965446	/nfs/dbraw/zinc/96/54/46/346965446.db2.gz	NTVJWVVEVZQWGD-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCC[N@@H+](C)C1CCCCC1	605149414	346967497	/nfs/dbraw/zinc/96/74/97/346967497.db2.gz	BBUJQEJMGFPYTO-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCC[N@@H+](C)C(C1CC1)C1CC1	605150188	346968522	/nfs/dbraw/zinc/96/85/22/346968522.db2.gz	HSSYLEOEWUOIEU-UHFFFAOYSA-N	1	0	193.334	3.073	10	30		AGEERO
C=CCCC[N@@H+](CC)Cc1ccoc1	605150417	346969270	/nfs/dbraw/zinc/96/92/70/346969270.db2.gz	XGXIYFSECNMMLG-UHFFFAOYSA-N	1	0	193.290	3.068	10	30		AGEERO
C=CCCC[N@H+]1CCCC[C@H]1C(C)C	605151036	346970051	/nfs/dbraw/zinc/97/00/51/346970051.db2.gz	AGBOVGDQIHPVQN-ZDUSSCGKSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[N@H+]1CCCC[C@@H]1C(C)C	605151035	346970238	/nfs/dbraw/zinc/97/02/38/346970238.db2.gz	AGBOVGDQIHPVQN-CYBMUJFWSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@H+]1CCCC[C@H]1[C@@H](C)CC	606433976	346982359	/nfs/dbraw/zinc/98/23/59/346982359.db2.gz	FNBWADJOOFJNEM-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@H+]1CCCC[C@@H]1[C@H](C)CC	606433973	346982378	/nfs/dbraw/zinc/98/23/78/346982378.db2.gz	FNBWADJOOFJNEM-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@H+]1CCCC[C@@H]1[C@@H](C)CC	606433975	346982400	/nfs/dbraw/zinc/98/24/00/346982400.db2.gz	FNBWADJOOFJNEM-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H]1CC(C)(C)C	606897501	346985462	/nfs/dbraw/zinc/98/54/62/346985462.db2.gz	WNOLDSUNLLITAD-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@@H+](C)Cc1cccc(C)c1	606897004	346985595	/nfs/dbraw/zinc/98/55/95/346985595.db2.gz	CKOIAZNSCUKZJE-UHFFFAOYSA-N	1	0	189.302	3.003	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H]1CC(C)(C)C	606897499	346985710	/nfs/dbraw/zinc/98/57/10/346985710.db2.gz	WNOLDSUNLLITAD-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H](C(C)C)CC1	606898083	346986505	/nfs/dbraw/zinc/98/65/05/346986505.db2.gz	FZXWNGCIKZMJHC-CYBMUJFWSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCC[N@H+]1CCCC[C@@H]1[C@H](C)CC	606898075	346986215	/nfs/dbraw/zinc/98/62/15/346986215.db2.gz	FAQLQZNCXNCMBM-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@H+]1CCCCC[C@@H]1CC	606901069	346986266	/nfs/dbraw/zinc/98/62/66/346986266.db2.gz	ZMWAEVWKQDYMSN-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H](C(C)C)CC1	606898084	346986424	/nfs/dbraw/zinc/98/64/24/346986424.db2.gz	FZXWNGCIKZMJHC-ZDUSSCGKSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCC[N@H+]1CCCC[C@H]1[C@H](C)CC	606898076	346986488	/nfs/dbraw/zinc/98/64/88/346986488.db2.gz	FAQLQZNCXNCMBM-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCCC[C@H]1[C@@H](C)CC	606898078	346986574	/nfs/dbraw/zinc/98/65/74/346986574.db2.gz	FAQLQZNCXNCMBM-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@H+]1CCCCC[C@H]1CC	606901068	346986585	/nfs/dbraw/zinc/98/65/85/346986585.db2.gz	ZMWAEVWKQDYMSN-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCC[N@H+]1CCCC[C@@H]1[C@@H](C)CC	606898077	346986592	/nfs/dbraw/zinc/98/65/92/346986592.db2.gz	FAQLQZNCXNCMBM-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+](C)CC1CCC(C)CC1	607742459	346995508	/nfs/dbraw/zinc/99/55/08/346995508.db2.gz	DOSNVAQQIZZTKQ-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=C(C)C[N@@H+]1CCC2(CCCCC2)C1	607752484	346996413	/nfs/dbraw/zinc/99/64/13/346996413.db2.gz	GMDFMNOPGGXWJD-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=CCC[N@@H+]1CCC2(CCCCC2)C1	607752564	346996810	/nfs/dbraw/zinc/99/68/10/346996810.db2.gz	OZUXYVCAWSULKD-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=CC[NH+](CC=C)CCC(C)(C)CC	608492315	347003469	/nfs/dbraw/zinc/00/34/69/347003469.db2.gz	IYUBYGVQJJVPFU-UHFFFAOYSA-N	1	0	195.350	3.487	10	30		AGEERO
C=C1CC[NH+](CCC(C)(C)CC)CC1	608497100	347006295	/nfs/dbraw/zinc/00/62/95/347006295.db2.gz	BYCMSJYWXCJFET-UHFFFAOYSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)C[N@H+]1CCC[C@](C)(CCC)C1	608510935	347009805	/nfs/dbraw/zinc/00/98/05/347009805.db2.gz	GJMGRZMMFXGXLO-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(C)C[N@H+]1CCC[C@@](C)(CCC)C1	608510934	347009880	/nfs/dbraw/zinc/00/98/80/347009880.db2.gz	GJMGRZMMFXGXLO-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H](C)[C@H]1CCC	608566536	347011654	/nfs/dbraw/zinc/01/16/54/347011654.db2.gz	HUUBQPUOIREEFQ-CHWSQXEVSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H](C)[C@@H]1CCC	608566537	347011677	/nfs/dbraw/zinc/01/16/77/347011677.db2.gz	HUUBQPUOIREEFQ-OLZOCXBDSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H](C)[C@@H]1CCC	608566539	347011685	/nfs/dbraw/zinc/01/16/85/347011685.db2.gz	HUUBQPUOIREEFQ-STQMWFEESA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H](C)[C@H]1CCC	608566538	347011795	/nfs/dbraw/zinc/01/17/95/347011795.db2.gz	HUUBQPUOIREEFQ-QWHCGFSZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCC[N@H+]1CC[C@H](CC(C)C)C1	608746528	347012965	/nfs/dbraw/zinc/01/29/65/347012965.db2.gz	FCMIIJIAJUZKSN-CYBMUJFWSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCC[N@H+]1CC[C@@H](CC(C)C)C1	608746534	347013306	/nfs/dbraw/zinc/01/33/06/347013306.db2.gz	FCMIIJIAJUZKSN-ZDUSSCGKSA-N	1	0	195.350	3.321	10	30		AGEERO
CC[N@H+](CCCCC#N)[C@H](C)C(C)C	609046788	347015885	/nfs/dbraw/zinc/01/58/85/347015885.db2.gz	DSOQQZNRTOKJDM-GFCCVEGCSA-N	1	0	196.338	3.047	10	30		AGEERO
CC[N@H+](CCCCC#N)[C@@H](C)C(C)C	609046796	347016013	/nfs/dbraw/zinc/01/60/13/347016013.db2.gz	DSOQQZNRTOKJDM-LBPRGKRZSA-N	1	0	196.338	3.047	10	30		AGEERO
CC[N@H+](CCC#N)CCC(C)(C)CC	610485274	347025781	/nfs/dbraw/zinc/02/57/81/347025781.db2.gz	XCSQTOQOKJXYJZ-UHFFFAOYSA-N	1	0	196.338	3.048	10	30		AGEERO
C=C(C)C[N@@H+](CC)CC(CC)CC	613423211	347059533	/nfs/dbraw/zinc/05/95/33/347059533.db2.gz	FFKNNPYCMJCMHH-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[N@@H+](C1CCC(C)CC1)C1CC1	613472434	347060007	/nfs/dbraw/zinc/06/00/07/347060007.db2.gz	AHEFCVZXCKLATM-UHFFFAOYSA-N	1	0	193.334	3.216	10	30		AGEERO
C=C(C)C[N@@H+]1CCC[C@H]1CC(C)(C)C	622260994	347241046	/nfs/dbraw/zinc/24/10/46/347241046.db2.gz	HYOUQLWIMXRZJS-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+]1CCC[C@@H]1CC(C)(C)C	622260993	347241054	/nfs/dbraw/zinc/24/10/54/347241054.db2.gz	HYOUQLWIMXRZJS-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CC(C)(C)CC[NH2+]CC1(C)CCC1	623592994	347258442	/nfs/dbraw/zinc/25/84/42/347258442.db2.gz	NYTFMMVUPZYOGS-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CC(C)(C)CC[NH2+]CC(C)(C)C	623592882	347258763	/nfs/dbraw/zinc/25/87/63/347258763.db2.gz	GWBMPZQVHZCGLK-UHFFFAOYSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H](C)[C@H]1C[C@@H]1C	623593185	347259351	/nfs/dbraw/zinc/25/93/51/347259351.db2.gz	XYPQOCBYSQJWTF-TUAOUCFPSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H](C)[C@H]1C[C@H]1C	623593186	347259580	/nfs/dbraw/zinc/25/95/80/347259580.db2.gz	XYPQOCBYSQJWTF-UTUOFQBUSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)CC[NH2+]C[C@@H](C)CC	623593241	347259658	/nfs/dbraw/zinc/25/96/58/347259658.db2.gz	ZVQJGBGFSXAVCQ-NSHDSACASA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC(C)(C)CC[NH2+]C[C@H](C)CC	623593240	347259670	/nfs/dbraw/zinc/25/96/70/347259670.db2.gz	ZVQJGBGFSXAVCQ-LLVKDONJSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H](C)[C@@H]1C[C@H]1C	623593183	347259708	/nfs/dbraw/zinc/25/97/08/347259708.db2.gz	XYPQOCBYSQJWTF-IJLUTSLNSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H](C)C(C)C	624037895	347269047	/nfs/dbraw/zinc/26/90/47/347269047.db2.gz	KZFXLWWYBWRNNO-NSHDSACASA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC(C)(C)CC[NH2+]C(CC)CC	624037670	347269071	/nfs/dbraw/zinc/26/90/71/347269071.db2.gz	BZIFCEPNQISOQI-UHFFFAOYSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H](CC)C1CC1	624037996	347269079	/nfs/dbraw/zinc/26/90/79/347269079.db2.gz	NUNPUIGFFSEFNM-LBPRGKRZSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H](CC)C1CC1	624037995	347269096	/nfs/dbraw/zinc/26/90/96/347269096.db2.gz	NUNPUIGFFSEFNM-GFCCVEGCSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H](C)CC1CC1	624038264	347269145	/nfs/dbraw/zinc/26/91/45/347269145.db2.gz	ZMBIYOFHNPGHQD-LLVKDONJSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H](C)CCC	624037759	347269183	/nfs/dbraw/zinc/26/91/83/347269183.db2.gz	HBKNBKRCFRSTKZ-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H](C)C1CCC1	624037889	347269186	/nfs/dbraw/zinc/26/91/86/347269186.db2.gz	KWLPQRKTWNLXBS-LLVKDONJSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H](C)C(C)C	624037891	347269277	/nfs/dbraw/zinc/26/92/77/347269277.db2.gz	KZFXLWWYBWRNNO-LLVKDONJSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H](C)CCC	624037758	347269291	/nfs/dbraw/zinc/26/92/91/347269291.db2.gz	HBKNBKRCFRSTKZ-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H](C)CC1CC1	624038265	347269368	/nfs/dbraw/zinc/26/93/68/347269368.db2.gz	ZMBIYOFHNPGHQD-NSHDSACASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H](C)C1CCC1	624037890	347269382	/nfs/dbraw/zinc/26/93/82/347269382.db2.gz	KWLPQRKTWNLXBS-NSHDSACASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+]C/C=C\C	624197531	347271851	/nfs/dbraw/zinc/27/18/51/347271851.db2.gz	PCSDJFNALXLGKR-VVEJJEBESA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+]C/C=C/C	624197529	347271901	/nfs/dbraw/zinc/27/19/01/347271901.db2.gz	PCSDJFNALXLGKR-FZKGZDJFSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+]C/C=C/C	624197532	347272130	/nfs/dbraw/zinc/27/21/30/347272130.db2.gz	PCSDJFNALXLGKR-ZCRIDZFUSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+]C/C=C\C	624197530	347272202	/nfs/dbraw/zinc/27/22/02/347272202.db2.gz	PCSDJFNALXLGKR-JECSTDCCSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCCC[C@H](C)[NH2+]C/C=C\C	624199846	347274028	/nfs/dbraw/zinc/27/40/28/347274028.db2.gz	ZIDILOJJHAKMCW-HWPRWLFBSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCCC[C@@H](C)[NH2+]C/C=C\C	624199848	347274203	/nfs/dbraw/zinc/27/42/03/347274203.db2.gz	ZIDILOJJHAKMCW-SMYYYNMVSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCCC[C@H](C)[NH2+]C/C=C/C	624199847	347274227	/nfs/dbraw/zinc/27/42/27/347274227.db2.gz	ZIDILOJJHAKMCW-PZBABLGHSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CCCCC[C@@H](C)[NH2+]C/C=C/C	624199845	347274233	/nfs/dbraw/zinc/27/42/33/347274233.db2.gz	ZIDILOJJHAKMCW-HOSRBBHYSA-N	1	0	181.323	3.287	10	30		AGEERO
C=CC[C@H]1CC[N@H+](CCC2CCC2)C1	625701562	347289684	/nfs/dbraw/zinc/28/96/84/347289684.db2.gz	KPSHKJRXLAHKLT-ZDUSSCGKSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@@H]1CC[N@H+](CC2CCCC2)C1	625702946	347290101	/nfs/dbraw/zinc/29/01/01/347290101.db2.gz	KEEQTTWYKPZFQI-GFCCVEGCSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@H]1CC[N@H+](CC2CCCC2)C1	625702949	347290139	/nfs/dbraw/zinc/29/01/39/347290139.db2.gz	KEEQTTWYKPZFQI-LBPRGKRZSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@@H]1CC[N@H+](CCC2CCC2)C1	625701554	347290294	/nfs/dbraw/zinc/29/02/94/347290294.db2.gz	KPSHKJRXLAHKLT-CYBMUJFWSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CC2(C)CCC2)C1	625703822	347290775	/nfs/dbraw/zinc/29/07/75/347290775.db2.gz	TUARMPMSXQJOPH-GFCCVEGCSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CC2(C)CCC2)C1	625703826	347290812	/nfs/dbraw/zinc/29/08/12/347290812.db2.gz	TUARMPMSXQJOPH-LBPRGKRZSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CCC=C(C)C)C1	625704230	347290837	/nfs/dbraw/zinc/29/08/37/347290837.db2.gz	WQSGYHBNMSVNIA-ZDUSSCGKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC[C@H]1CC[N@@H+](CCCCCF)C1	625703875	347290890	/nfs/dbraw/zinc/29/08/90/347290890.db2.gz	UXVLBCIWGKKSBW-LBPRGKRZSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CCCCCF)C1	625703874	347291010	/nfs/dbraw/zinc/29/10/10/347291010.db2.gz	UXVLBCIWGKKSBW-GFCCVEGCSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CC[C@@H]1CC[N@@H+](CCC=C(C)C)C1	625704228	347291253	/nfs/dbraw/zinc/29/12/53/347291253.db2.gz	WQSGYHBNMSVNIA-CYBMUJFWSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCCC[N@H+]1C[C@@H]2CCCC[C@@]21C	626105054	347297329	/nfs/dbraw/zinc/29/73/29/347297329.db2.gz	QOKGTTQDNZQJPK-STQMWFEESA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCCC[N@@H+]1CCCC2(CC1)CC2	626113764	347297538	/nfs/dbraw/zinc/29/75/38/347297538.db2.gz	FPPBEENSTQXMOS-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=C(CC)C[N@@H+]1CCCC2(CC1)CC2	626114384	347298387	/nfs/dbraw/zinc/29/83/87/347298387.db2.gz	DUVFVGSOBCOZHW-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=C(C)CC[N@@H+]1CCCC2(CC1)CC2	626115190	347299026	/nfs/dbraw/zinc/29/90/26/347299026.db2.gz	JKGGLHRCQLINKO-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H](C/C=C/C)C1	626161255	347299494	/nfs/dbraw/zinc/29/94/94/347299494.db2.gz	ALLDFXVWYFPWGB-MASHWEEQSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H](C/C=C/C)C1	626161254	347299518	/nfs/dbraw/zinc/29/95/18/347299518.db2.gz	ALLDFXVWYFPWGB-LQPUYASZSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[N@H+]1CCC[C@H](C/C=C\C)C1	626161252	347299796	/nfs/dbraw/zinc/29/97/96/347299796.db2.gz	ALLDFXVWYFPWGB-DXTPNHAXSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[N@H+]1CCC[C@@H](C/C=C\C)C1	626161253	347300054	/nfs/dbraw/zinc/30/00/54/347300054.db2.gz	ALLDFXVWYFPWGB-HSBHDXMMSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)F)C1	631188861	347376706	/nfs/dbraw/zinc/37/67/06/347376706.db2.gz	KRLWXYYEBFVRGO-WDEREUQCSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)F)C1	631188860	347376742	/nfs/dbraw/zinc/37/67/42/347376742.db2.gz	KRLWXYYEBFVRGO-QWRGUYRKSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)F)C1	631188857	347376970	/nfs/dbraw/zinc/37/69/70/347376970.db2.gz	KRLWXYYEBFVRGO-MNOVXSKESA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)F)C1	631188693	347377078	/nfs/dbraw/zinc/37/70/78/347377078.db2.gz	KRLWXYYEBFVRGO-GHMZBOCLSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CCCC(C)(C)C[NH2+]CC1(F)CC1	631220131	347380144	/nfs/dbraw/zinc/38/01/44/347380144.db2.gz	QPZOSRPTWGVZEA-UHFFFAOYSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CCC[C@H]([NH2+]CC(C)(C)F)C1CC1	631657529	347383451	/nfs/dbraw/zinc/38/34/51/347383451.db2.gz	DVMJMFRZWJQLCD-NSHDSACASA-N	1	0	199.313	3.069	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC(C)(C)F)C1CC1	631657526	347383597	/nfs/dbraw/zinc/38/35/97/347383597.db2.gz	DVMJMFRZWJQLCD-LLVKDONJSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H]1CCCC12CC2	631661600	347384316	/nfs/dbraw/zinc/38/43/16/347384316.db2.gz	DAJPLEOTCUJPFS-RYUDHWBXSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]CC(C)(C)F	631660802	347384332	/nfs/dbraw/zinc/38/43/32/347384332.db2.gz	YWXSRMZZMUNZCN-SNVBAGLBSA-N	1	0	187.302	3.069	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]CC(C)(C)F	631660796	347384339	/nfs/dbraw/zinc/38/43/39/347384339.db2.gz	YWXSRMZZMUNZCN-JTQLQIEISA-N	1	0	187.302	3.069	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1CCCC12CC2	631661598	347384341	/nfs/dbraw/zinc/38/43/41/347384341.db2.gz	DAJPLEOTCUJPFS-NWDGAFQWSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H]1CCCC12CC2	631661596	347384482	/nfs/dbraw/zinc/38/44/82/347384482.db2.gz	DAJPLEOTCUJPFS-NEPJUHHUSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1CCCC12CC2	631661601	347384574	/nfs/dbraw/zinc/38/45/74/347384574.db2.gz	DAJPLEOTCUJPFS-VXGBXAGGSA-N	1	0	193.334	3.263	10	30		AGEERO
C=C(C)CC[NH+]1CCC(CCF)CC1	639990012	347541806	/nfs/dbraw/zinc/54/18/06/347541806.db2.gz	SGMKPDAADYNWIN-UHFFFAOYSA-N	1	0	199.313	3.024	10	30		AGEERO
C=C(CC)C[NH+]1CCC(CCF)CC1	639989743	347542081	/nfs/dbraw/zinc/54/20/81/347542081.db2.gz	MSGFWMMKVCJBAU-UHFFFAOYSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CCCC[NH+]1CCC(CCF)CC1	639988231	347542188	/nfs/dbraw/zinc/54/21/88/347542188.db2.gz	AYFXHCUOOAEQTJ-UHFFFAOYSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CC[N@@H+](CC)Cc1ccccc1C	642253143	347592141	/nfs/dbraw/zinc/59/21/41/347592141.db2.gz	DAJBTACJCAHNKC-UHFFFAOYSA-N	1	0	189.302	3.003	10	30		AGEERO
C=CC[NH+](CC=C)[C@H]1CCCC[C@@H]1C	642348600	347593797	/nfs/dbraw/zinc/59/37/97/347593797.db2.gz	NFTFWGDAJAJTLE-STQMWFEESA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[NH+](CC=C)[C@@H]1CCC[C@@H](C)C1	642348153	347593853	/nfs/dbraw/zinc/59/38/53/347593853.db2.gz	OJNCSUDHZCMJCR-CHWSQXEVSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[NH+](CC=C)[C@H]1CCC[C@@H](C)C1	642348154	347593863	/nfs/dbraw/zinc/59/38/63/347593863.db2.gz	OJNCSUDHZCMJCR-OLZOCXBDSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[NH+](CC=C)[C@@H]1CCCC[C@@H]1C	642348599	347593895	/nfs/dbraw/zinc/59/38/95/347593895.db2.gz	NFTFWGDAJAJTLE-QWHCGFSZSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[NH+](CC=C)[C@@H]1CCCC[C@H]1C	642348597	347593897	/nfs/dbraw/zinc/59/38/97/347593897.db2.gz	NFTFWGDAJAJTLE-CHWSQXEVSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[NH+](CC=C)[C@@H]1CCC[C@H](C)C1	642348155	347594082	/nfs/dbraw/zinc/59/40/82/347594082.db2.gz	OJNCSUDHZCMJCR-QWHCGFSZSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[NH+](CC=C)[C@H]1CCCC[C@H]1C	642348598	347594125	/nfs/dbraw/zinc/59/41/25/347594125.db2.gz	NFTFWGDAJAJTLE-OLZOCXBDSA-N	1	0	193.334	3.239	10	30		AGEERO
C=CC[NH+](CC=C)[C@H]1CCC[C@H](C)C1	642348156	347594127	/nfs/dbraw/zinc/59/41/27/347594127.db2.gz	OJNCSUDHZCMJCR-STQMWFEESA-N	1	0	193.334	3.239	10	30		AGEERO
CC(C)CC/[NH+]=C/c1ccccc1	34451053	351440842	/nfs/dbraw/zinc/44/08/42/351440842.db2.gz	YYQKAYVYCNKNNT-JLHYYAGUSA-N	1	0	175.275	3.152	10	30		AGEERO
CC(C)C/C=[NH+]\CCC(C)C	104371405	351712920	/nfs/dbraw/zinc/71/29/20/351712920.db2.gz	WYNULUURQZBBSK-XFFZJAGNSA-N	1	0	155.285	3.149	10	30		AGEERO
C=CC[N@@H+](CCC)Cc1cccs1	308453836	352051642	/nfs/dbraw/zinc/05/16/42/352051642.db2.gz	FHYHHKFDTFHULY-UHFFFAOYSA-N	1	0	195.331	3.146	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H]1CC[C@H](C)C1	527733004	352168636	/nfs/dbraw/zinc/16/86/36/352168636.db2.gz	AVYDREISFMALFU-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1CCC[C@H]1C	527735735	352168533	/nfs/dbraw/zinc/16/85/33/352168533.db2.gz	LUQIBQFWBFOMNB-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H]1CCC[C@H]1C	527735729	352168675	/nfs/dbraw/zinc/16/86/75/352168675.db2.gz	LUQIBQFWBFOMNB-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H]1CCC[C@@H]1C	527735733	352168688	/nfs/dbraw/zinc/16/86/88/352168688.db2.gz	LUQIBQFWBFOMNB-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H]1CC[C@@H](C)C1	527733000	352168745	/nfs/dbraw/zinc/16/87/45/352168745.db2.gz	AVYDREISFMALFU-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](C)[C@@H]1C	527922908	352172990	/nfs/dbraw/zinc/17/29/90/352172990.db2.gz	BYRRHQLGLMARFB-SDDRHHMPSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)[C@@H]1C	527922902	352173139	/nfs/dbraw/zinc/17/31/39/352173139.db2.gz	BYRRHQLGLMARFB-GRYCIOLGSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)[C@H]1C	527922904	352173158	/nfs/dbraw/zinc/17/31/58/352173158.db2.gz	BYRRHQLGLMARFB-IJLUTSLNSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H]1CC[C@H]1CC	527930884	352173217	/nfs/dbraw/zinc/17/32/17/352173217.db2.gz	ZVOBCICQCQCHJF-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1CCC1(C)C	527928026	352173254	/nfs/dbraw/zinc/17/32/54/352173254.db2.gz	SWFLMYUJYOKRMF-LLVKDONJSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](C)[C@H]1C	527922906	352173283	/nfs/dbraw/zinc/17/32/83/352173283.db2.gz	BYRRHQLGLMARFB-QJPTWQEYSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H]1CCC1(C)C	527928027	352173293	/nfs/dbraw/zinc/17/32/93/352173293.db2.gz	SWFLMYUJYOKRMF-NSHDSACASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@H]1CC[C@@H]1CC	527930887	352173400	/nfs/dbraw/zinc/17/34/00/352173400.db2.gz	ZVOBCICQCQCHJF-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+][C@@H]1CC[C@H]1CC	527930889	352173459	/nfs/dbraw/zinc/17/34/59/352173459.db2.gz	ZVOBCICQCQCHJF-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)CC[NH2+]C1CC(C)(C)C1	527922941	352173470	/nfs/dbraw/zinc/17/34/70/352173470.db2.gz	CGPMURFTPOEAFD-UHFFFAOYSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[N@@H+](CC1CC(C)(C)C1)C1CC1	528428236	352178288	/nfs/dbraw/zinc/17/82/88/352178288.db2.gz	AUYRWYPPFFABNL-UHFFFAOYSA-N	1	0	193.334	3.073	10	30		AGEERO
C=C(C)C/C=C1/CC[NH2+]C(C)(C)C1	575512532	352473064	/nfs/dbraw/zinc/47/30/64/352473064.db2.gz	PYJGVQCBQPUGKS-WDZFZDKYSA-N	1	0	179.307	3.041	10	30		AGEERO
C=C(/C=C1/CC[NH2+]C(C)(C)C1)CC	575512910	352475149	/nfs/dbraw/zinc/47/51/49/352475149.db2.gz	VFPVRSWPSLSJKG-FLIBITNWSA-N	1	0	179.307	3.041	10	30		AGEERO
C=C(C)CC1([NH3+])CCC(C)(C)CC1	575522621	352522478	/nfs/dbraw/zinc/52/24/78/352522478.db2.gz	AOCBVFOWCGGMEK-UHFFFAOYSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C(C)CC1([NH3+])CCCCCCC1	575523303	352525676	/nfs/dbraw/zinc/52/56/76/352525676.db2.gz	JDQRVMVORNXADV-UHFFFAOYSA-N	1	0	181.323	3.394	10	30		AGEERO
C=C(C)CC1([NH3+])CCCCCC1	575524819	352532207	/nfs/dbraw/zinc/53/22/07/352532207.db2.gz	VOFDUVVYOAANDU-UHFFFAOYSA-N	1	0	167.296	3.004	10	30		AGEERO
C=C[C@H](C)C1([NH3+])CCCCCCC1	575528172	352546411	/nfs/dbraw/zinc/54/64/11/352546411.db2.gz	KYUHAVUJEFALCX-NSHDSACASA-N	1	0	181.323	3.250	10	30		AGEERO
C=C[C@@H](C)C1([NH3+])CCCCCCC1	575528171	352546482	/nfs/dbraw/zinc/54/64/82/352546482.db2.gz	KYUHAVUJEFALCX-LLVKDONJSA-N	1	0	181.323	3.250	10	30		AGEERO
C=C[C@H](C)C1([NH3+])CCC(C)(C)CC1	575529188	352550646	/nfs/dbraw/zinc/55/06/46/352550646.db2.gz	TVVJQELTYPZPQW-JTQLQIEISA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@@H](C)C1([NH3+])CCC(C)(C)CC1	575529190	352550667	/nfs/dbraw/zinc/55/06/67/352550667.db2.gz	TVVJQELTYPZPQW-SNVBAGLBSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C(Cl)C[C@H]1CCCCC[C@H]1[NH3+]	575539827	352601346	/nfs/dbraw/zinc/60/13/46/352601346.db2.gz	GTBYOGIDMBZDLW-NXEZZACHSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@@H]1CCCCC[C@@H]1[NH3+]	575539828	352601428	/nfs/dbraw/zinc/60/14/28/352601428.db2.gz	GTBYOGIDMBZDLW-UWVGGRQHSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@@H]1CCCCC[C@H]1[NH3+]	575539830	352601522	/nfs/dbraw/zinc/60/15/22/352601522.db2.gz	GTBYOGIDMBZDLW-VHSXEESVSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@H]1CCCCC[C@@H]1[NH3+]	575539832	352601579	/nfs/dbraw/zinc/60/15/79/352601579.db2.gz	GTBYOGIDMBZDLW-ZJUUUORDSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@]1([NH3+])CCCC[C@H]1C	575541140	352606191	/nfs/dbraw/zinc/60/61/91/352606191.db2.gz	AZJVYDYQKAPDMZ-PSASIEDQSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@]1([NH3+])CCCC[C@@H]1C	575541142	352606202	/nfs/dbraw/zinc/60/62/02/352606202.db2.gz	AZJVYDYQKAPDMZ-WCBMZHEXSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@@]1([NH3+])CCCC[C@@H]1C	575541143	352606379	/nfs/dbraw/zinc/60/63/79/352606379.db2.gz	AZJVYDYQKAPDMZ-WPRPVWTQSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@@]1([NH3+])CCCC[C@H]1C	575541141	352606509	/nfs/dbraw/zinc/60/65/09/352606509.db2.gz	AZJVYDYQKAPDMZ-SCZZXKLOSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)CC1([NH3+])CCC(C)CC1	575541357	352607162	/nfs/dbraw/zinc/60/71/62/352607162.db2.gz	GFGNLAGRUGCWLE-UHFFFAOYSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)CC1([NH3+])CCCCCC1	575541312	352607305	/nfs/dbraw/zinc/60/73/05/352607305.db2.gz	FGVUGQGMHGDUGI-UHFFFAOYSA-N	1	0	187.714	3.181	10	30		AGEERO
C=C(Cl)CC1=C[C@H]([NH3+])CC(C)(C)C1	575541874	352609129	/nfs/dbraw/zinc/60/91/29/352609129.db2.gz	LJSAOICSTDXPBR-JTQLQIEISA-N	1	0	199.725	3.203	10	30		AGEERO
C=C(Cl)CC1=C[C@@H]([NH3+])CC(C)(C)C1	575541875	352609225	/nfs/dbraw/zinc/60/92/25/352609225.db2.gz	LJSAOICSTDXPBR-SNVBAGLBSA-N	1	0	199.725	3.203	10	30		AGEERO
C=C(Cl)C[C@@]1([NH3+])CCC[C@@H](C)C1	575542093	352609609	/nfs/dbraw/zinc/60/96/09/352609609.db2.gz	OHIPVMMHFQIQHD-PSASIEDQSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@]1([NH3+])CCC[C@H](C)C1	575542096	352610221	/nfs/dbraw/zinc/61/02/21/352610221.db2.gz	OHIPVMMHFQIQHD-WPRPVWTQSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@@]1([NH3+])CCC[C@H](C)C1	575542095	352610260	/nfs/dbraw/zinc/61/02/60/352610260.db2.gz	OHIPVMMHFQIQHD-WCBMZHEXSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@]1([NH3+])CCC[C@@H](C)C1	575542094	352610375	/nfs/dbraw/zinc/61/03/75/352610375.db2.gz	OHIPVMMHFQIQHD-SCZZXKLOSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@H]1CCCC[C@H]([NH3+])C1	575542469	352610768	/nfs/dbraw/zinc/61/07/68/352610768.db2.gz	UGHKSPPZGMBTOC-ZJUUUORDSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@@H]1CCCC[C@@H]([NH3+])C1	575542467	352610804	/nfs/dbraw/zinc/61/08/04/352610804.db2.gz	UGHKSPPZGMBTOC-VHSXEESVSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@H]1CCCC[C@@H]([NH3+])C1	575542464	352610858	/nfs/dbraw/zinc/61/08/58/352610858.db2.gz	UGHKSPPZGMBTOC-NXEZZACHSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@@H]1CCCC[C@H]([NH3+])C1	575542465	352610938	/nfs/dbraw/zinc/61/09/38/352610938.db2.gz	UGHKSPPZGMBTOC-UWVGGRQHSA-N	1	0	187.714	3.037	10	30		AGEERO
C=C(Cl)C[C@]1(C)CCCCC[NH2+]1	575556140	352658475	/nfs/dbraw/zinc/65/84/75/352658475.db2.gz	GWYDZOWXUBVMDJ-JTQLQIEISA-N	1	0	187.714	3.051	10	30		AGEERO
C=C(Cl)C[C@@]1(C)CCCCC[NH2+]1	575556146	352658694	/nfs/dbraw/zinc/65/86/94/352658694.db2.gz	GWYDZOWXUBVMDJ-SNVBAGLBSA-N	1	0	187.714	3.051	10	30		AGEERO
C=C[C@H](C)[NH2+]C1CC2(CCCCC2)C1	643290315	352943150	/nfs/dbraw/zinc/94/31/50/352943150.db2.gz	FVTCRSFRCOWZIM-NSHDSACASA-N	1	0	193.334	3.263	10	30		AGEERO
C=C[C@@H](C)[NH2+]C1CC2(CCCCC2)C1	643290314	352943375	/nfs/dbraw/zinc/94/33/75/352943375.db2.gz	FVTCRSFRCOWZIM-LLVKDONJSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+][C@@H]1CC12CC2	643907482	353009397	/nfs/dbraw/zinc/00/93/97/353009397.db2.gz	NDLMIBSNDXJVSB-VXGBXAGGSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+][C@H]1CC12CC2	643907481	353009436	/nfs/dbraw/zinc/00/94/36/353009436.db2.gz	NDLMIBSNDXJVSB-RYUDHWBXSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+][C@H]1CC12CC2	643907479	353009612	/nfs/dbraw/zinc/00/96/12/353009612.db2.gz	NDLMIBSNDXJVSB-NEPJUHHUSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+][C@@H]1CC12CC2	643907480	353009625	/nfs/dbraw/zinc/00/96/25/353009625.db2.gz	NDLMIBSNDXJVSB-NWDGAFQWSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCCC[C@@H](C)[NH2+][C@@H]1CC12CC2	643907822	353010283	/nfs/dbraw/zinc/01/02/83/353010283.db2.gz	DNPYTXKNHWXBAR-VXGBXAGGSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCCC[C@@H](C)[NH2+][C@H]1CC12CC2	643907819	353010294	/nfs/dbraw/zinc/01/02/94/353010294.db2.gz	DNPYTXKNHWXBAR-NEPJUHHUSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCCC[C@H](C)[NH2+][C@H]1CC12CC2	643907821	353010332	/nfs/dbraw/zinc/01/03/32/353010332.db2.gz	DNPYTXKNHWXBAR-RYUDHWBXSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCCC[C@H](C)[NH2+][C@@H]1CC12CC2	643907820	353010336	/nfs/dbraw/zinc/01/03/36/353010336.db2.gz	DNPYTXKNHWXBAR-NWDGAFQWSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+][C@H]1C[C@@H]2C[C@@H]2C1	643917759	353012284	/nfs/dbraw/zinc/01/22/84/353012284.db2.gz	NBRLEKWWSMIYBF-YVECIDJPSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@H]1C[C@@H]2C[C@@H]2C1	643917756	353012290	/nfs/dbraw/zinc/01/22/90/353012290.db2.gz	NBRLEKWWSMIYBF-RNJOBUHISA-N	1	0	193.334	3.119	10	30		AGEERO
CCCC[P+]1(C)CCCC1	200587489	371701809	/nfs/dbraw/zinc/70/18/09/371701809.db2.gz	LZCBPGWHCMGYMZ-UHFFFAOYSA-N	1	0	159.233	3.228	10	30		AGEERO
C=C(C)CC[NH+]1CCC(C2CC2)CC1	644720008	371903024	/nfs/dbraw/zinc/90/30/24/371903024.db2.gz	JXRKLVWGEIQMFJ-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)CC[NH+](C1CCC1)C1CCC1	644784871	371908519	/nfs/dbraw/zinc/90/85/19/371908519.db2.gz	AXQABOHIXZPEKS-UHFFFAOYSA-N	1	0	193.334	3.360	10	30		AGEERO
C=CC[N@@H+](C)C[C@H](C)C1CCCCC1	645122652	371945466	/nfs/dbraw/zinc/94/54/66/371945466.db2.gz	FPTAZEJVFVKLFY-LBPRGKRZSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CC[N@@H+](C)C[C@@H](C)C1CCCCC1	645122651	371946277	/nfs/dbraw/zinc/94/62/77/371946277.db2.gz	FPTAZEJVFVKLFY-GFCCVEGCSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1	403709977	375530638	/nfs/dbraw/zinc/53/06/38/375530638.db2.gz	FNNOVQZQZKGVLG-UMSGYPCISA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1	403709982	375530665	/nfs/dbraw/zinc/53/06/65/375530665.db2.gz	FNNOVQZQZKGVLG-ZDEQEGDKSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCC[N@@H+]1CCCC[C@@H]1C1CCC1	646138340	375579761	/nfs/dbraw/zinc/57/97/61/375579761.db2.gz	CWQOPJBUTAANLF-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CCC[N@@H+]1CCCC[C@H]1C1CCC1	646138341	375580093	/nfs/dbraw/zinc/58/00/93/375580093.db2.gz	CWQOPJBUTAANLF-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(C)C[N@@H+]1CCCC[C@H]1C1CCC1	646137960	375580257	/nfs/dbraw/zinc/58/02/57/375580257.db2.gz	ZGFZSXSTQUEJCG-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(C)C[N@@H+]1CCCC[C@@H]1C1CCC1	646137959	375580394	/nfs/dbraw/zinc/58/03/94/375580394.db2.gz	ZGFZSXSTQUEJCG-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(C)C[N@@H+](C)Cc1ccsc1C	646153304	375581807	/nfs/dbraw/zinc/58/18/07/375581807.db2.gz	CCDAJTPSCDKCMW-UHFFFAOYSA-N	1	0	195.331	3.064	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C	648727809	375739560	/nfs/dbraw/zinc/73/95/60/375739560.db2.gz	VVTOBNOIIWOOGK-UPJWGTAASA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CCC[C@H]2C[C@]21C	648727811	375739689	/nfs/dbraw/zinc/73/96/89/375739689.db2.gz	VVTOBNOIIWOOGK-YNEHKIRRSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CCC[C@H]2C[C@]21C	648840313	375749712	/nfs/dbraw/zinc/74/97/12/375749712.db2.gz	ZTCVJYTYHNQSDJ-YNEHKIRRSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C	648840311	375750192	/nfs/dbraw/zinc/75/01/92/375750192.db2.gz	ZTCVJYTYHNQSDJ-UPJWGTAASA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)CC[NH2+][C@@H](C)C(C)(C)CC	651421421	409329896	/nfs/dbraw/zinc/32/98/96/409329896.db2.gz	YCWSYBRJHDIJRI-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CC[C@@H]1C(C)(C)C	651421423	409329903	/nfs/dbraw/zinc/32/99/03/409329903.db2.gz	YLCFSYRHQQBKSA-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@H](C)C(C)(C)C	651425951	409330042	/nfs/dbraw/zinc/33/00/42/409330042.db2.gz	BFTSECDDMKQNFY-SNVBAGLBSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(C)CC[NH2+][C@H]1CC[C@@H]1C(C)(C)C	651421424	409330129	/nfs/dbraw/zinc/33/01/29/409330129.db2.gz	YLCFSYRHQQBKSA-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@H](C)C(C)(C)CC	651421420	409330493	/nfs/dbraw/zinc/33/04/93/409330493.db2.gz	YCWSYBRJHDIJRI-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CC[C@H]1C(C)(C)C	651421425	409330600	/nfs/dbraw/zinc/33/06/00/409330600.db2.gz	YLCFSYRHQQBKSA-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)CC[NH2+][C@H]1CC[C@H]1C(C)(C)C	651421422	409330742	/nfs/dbraw/zinc/33/07/42/409330742.db2.gz	YLCFSYRHQQBKSA-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@@H](C)C(C)(C)C	651425950	409330938	/nfs/dbraw/zinc/33/09/38/409330938.db2.gz	BFTSECDDMKQNFY-JTQLQIEISA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(CC)C[NH2+][C@@H](C)C(C)(C)CC	651472537	409331801	/nfs/dbraw/zinc/33/18/01/409331801.db2.gz	NUNRQSJBVGENPX-NSHDSACASA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@H]1CC[C@H]1C(C)(C)C	651473187	409331932	/nfs/dbraw/zinc/33/19/32/409331932.db2.gz	NVCIZGJJYCOSJE-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CC[C@@H]1C(C)(C)C	651473188	409331970	/nfs/dbraw/zinc/33/19/70/409331970.db2.gz	NVCIZGJJYCOSJE-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CC[C@H]1C(C)(C)C	651473190	409332135	/nfs/dbraw/zinc/33/21/35/409332135.db2.gz	NVCIZGJJYCOSJE-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@H](C)C(C)(C)CC	651472536	409332251	/nfs/dbraw/zinc/33/22/51/409332251.db2.gz	NUNRQSJBVGENPX-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@H]1CC[C@@H]1C(C)(C)C	651473189	409332808	/nfs/dbraw/zinc/33/28/08/409332808.db2.gz	NVCIZGJJYCOSJE-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]C2CCCC2)C1	651666712	409334081	/nfs/dbraw/zinc/33/40/81/409334081.db2.gz	LLIYYEDDEBCCAM-YPMHNXCESA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]C2CCCC2)C1	651666709	409334154	/nfs/dbraw/zinc/33/41/54/409334154.db2.gz	LLIYYEDDEBCCAM-AAEUAGOBSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]C2CCCC2)C1	651666710	409334299	/nfs/dbraw/zinc/33/42/99/409334299.db2.gz	LLIYYEDDEBCCAM-DGCLKSJQSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC)C1	651666762	409334850	/nfs/dbraw/zinc/33/48/50/409334850.db2.gz	NRVPOGHFQPMAPB-QJPTWQEYSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]C2CCCC2)C1	651666711	409334865	/nfs/dbraw/zinc/33/48/65/409334865.db2.gz	LLIYYEDDEBCCAM-WCQYABFASA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC)C1	651666763	409334953	/nfs/dbraw/zinc/33/49/53/409334953.db2.gz	NRVPOGHFQPMAPB-TUAOUCFPSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)C2CC2)C1	651669318	409335127	/nfs/dbraw/zinc/33/51/27/409335127.db2.gz	PQHHTTBBFKLEMD-NQBHXWOUSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CC)C1	651666761	409335137	/nfs/dbraw/zinc/33/51/37/409335137.db2.gz	NRVPOGHFQPMAPB-IJLUTSLNSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)C2CC2)C1	651669319	409335306	/nfs/dbraw/zinc/33/53/06/409335306.db2.gz	PQHHTTBBFKLEMD-WZRBSPASSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC)C1	651666764	409335419	/nfs/dbraw/zinc/33/54/19/409335419.db2.gz	NRVPOGHFQPMAPB-UTUOFQBUSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1	651669317	409335467	/nfs/dbraw/zinc/33/54/67/409335467.db2.gz	PQHHTTBBFKLEMD-LOWVWBTDSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1	651669316	409335537	/nfs/dbraw/zinc/33/55/37/409335537.db2.gz	PQHHTTBBFKLEMD-DMDPSCGWSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CCCC)C1	651670254	409336403	/nfs/dbraw/zinc/33/64/03/409336403.db2.gz	BGAXGIRREJLBGQ-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CC2(C)CC2)C1	651728159	409336360	/nfs/dbraw/zinc/33/63/60/409336360.db2.gz	MVHNFADIPUULON-VXGBXAGGSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]C2CC=CC2)C1	651736044	409336412	/nfs/dbraw/zinc/33/64/12/409336412.db2.gz	LMVTXHMPGHXQBJ-AAEUAGOBSA-N	1	0	191.318	3.039	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1	651690356	409336423	/nfs/dbraw/zinc/33/64/23/409336423.db2.gz	BNIUZKRHVXGYRU-WCQYABFASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]C2CC(C)C2)C1	651729788	409336452	/nfs/dbraw/zinc/33/64/52/409336452.db2.gz	RJQNYXFWLUHBEF-QBHFIFKDSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CC=C)C1	651713417	409336483	/nfs/dbraw/zinc/33/64/83/409336483.db2.gz	PENUWSYLHGCPIB-JHJVBQTASA-N	1	0	193.334	3.285	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]C2CC=CC2)C1	651736047	409336513	/nfs/dbraw/zinc/33/65/13/409336513.db2.gz	LMVTXHMPGHXQBJ-YPMHNXCESA-N	1	0	191.318	3.039	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CC2(C)CC2)C1	651728157	409336576	/nfs/dbraw/zinc/33/65/76/409336576.db2.gz	MVHNFADIPUULON-NWDGAFQWSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1	651726253	409336698	/nfs/dbraw/zinc/33/66/98/409336698.db2.gz	FUTKEDJZVPQYJZ-QWHCGFSZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CCCC)C1	651670253	409336757	/nfs/dbraw/zinc/33/67/57/409336757.db2.gz	BGAXGIRREJLBGQ-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CCC2CC2)C1	651726251	409336780	/nfs/dbraw/zinc/33/67/80/409336780.db2.gz	FUTKEDJZVPQYJZ-CHWSQXEVSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CC2(C)CC2)C1	651728156	409336822	/nfs/dbraw/zinc/33/68/22/409336822.db2.gz	MVHNFADIPUULON-NEPJUHHUSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC=C)C1	651713419	409336836	/nfs/dbraw/zinc/33/68/36/409336836.db2.gz	PENUWSYLHGCPIB-XQQFMLRXSA-N	1	0	193.334	3.285	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]C2CC=CC2)C1	651736045	409336917	/nfs/dbraw/zinc/33/69/17/409336917.db2.gz	LMVTXHMPGHXQBJ-DGCLKSJQSA-N	1	0	191.318	3.039	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CC(C)(C)C)C1	651687722	409336967	/nfs/dbraw/zinc/33/69/67/409336967.db2.gz	NVQTZASTCIPDKA-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CC2CCC2)C1	651690355	409336988	/nfs/dbraw/zinc/33/69/88/409336988.db2.gz	BNIUZKRHVXGYRU-DGCLKSJQSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]C2CC(C)C2)C1	651729787	409337015	/nfs/dbraw/zinc/33/70/15/409337015.db2.gz	RJQNYXFWLUHBEF-CMOBGSAGSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CCC2CC2)C1	651726254	409336995	/nfs/dbraw/zinc/33/69/95/409336995.db2.gz	FUTKEDJZVPQYJZ-STQMWFEESA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]C2CC(C)C2)C1	651729789	409337041	/nfs/dbraw/zinc/33/70/41/409337041.db2.gz	RJQNYXFWLUHBEF-QZQSVVMZSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CCCC)C1	651670255	409337085	/nfs/dbraw/zinc/33/70/85/409337085.db2.gz	BGAXGIRREJLBGQ-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)C)C1	651687721	409337120	/nfs/dbraw/zinc/33/71/20/409337120.db2.gz	NVQTZASTCIPDKA-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CC(C)(C)C)C1	651687723	409337141	/nfs/dbraw/zinc/33/71/41/409337141.db2.gz	NVQTZASTCIPDKA-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC=C)C1	651713418	409337278	/nfs/dbraw/zinc/33/72/78/409337278.db2.gz	PENUWSYLHGCPIB-UPJWGTAASA-N	1	0	193.334	3.285	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]C2CC(C)C2)C1	651729790	409337323	/nfs/dbraw/zinc/33/73/23/409337323.db2.gz	RJQNYXFWLUHBEF-ZFQMDJOTSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CC(C)(C)C)C1	651687720	409337390	/nfs/dbraw/zinc/33/73/90/409337390.db2.gz	NVQTZASTCIPDKA-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CC2(C)CC2)C1	651728158	409337405	/nfs/dbraw/zinc/33/74/05/409337405.db2.gz	MVHNFADIPUULON-RYUDHWBXSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]C2CC=CC2)C1	651736046	409337410	/nfs/dbraw/zinc/33/74/10/409337410.db2.gz	LMVTXHMPGHXQBJ-WCQYABFASA-N	1	0	191.318	3.039	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CC2CCC2)C1	651690354	409337513	/nfs/dbraw/zinc/33/75/13/409337513.db2.gz	BNIUZKRHVXGYRU-AAEUAGOBSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CC2CCC2)C1	651690357	409337536	/nfs/dbraw/zinc/33/75/36/409337536.db2.gz	BNIUZKRHVXGYRU-YPMHNXCESA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC=C)C1	651713420	409337554	/nfs/dbraw/zinc/33/75/54/409337554.db2.gz	PENUWSYLHGCPIB-YNEHKIRRSA-N	1	0	193.334	3.285	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CCC2CC2)C1	651726252	409337707	/nfs/dbraw/zinc/33/77/07/409337707.db2.gz	FUTKEDJZVPQYJZ-OLZOCXBDSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CCCC)C1	651670256	409337750	/nfs/dbraw/zinc/33/77/50/409337750.db2.gz	BGAXGIRREJLBGQ-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@@H](CC=C)C1	651789376	409338463	/nfs/dbraw/zinc/33/84/63/409338463.db2.gz	KUZIVLAWWLCZLT-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]2C)C1	651806372	409338552	/nfs/dbraw/zinc/33/85/52/409338552.db2.gz	DWSZKMBOZXGSAP-FVCCEPFGSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CCCCF)C1	651814989	409338575	/nfs/dbraw/zinc/33/85/75/409338575.db2.gz	SAXUHRCWBZVIRL-VXGBXAGGSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CCCCF)C1	651814987	409338586	/nfs/dbraw/zinc/33/85/86/409338586.db2.gz	SAXUHRCWBZVIRL-NWDGAFQWSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CCCCF)C1	651814988	409338613	/nfs/dbraw/zinc/33/86/13/409338613.db2.gz	SAXUHRCWBZVIRL-RYUDHWBXSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2C)C1	651806374	409338621	/nfs/dbraw/zinc/33/86/21/409338621.db2.gz	DWSZKMBOZXGSAP-QNWHQSFQSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CC=C(C)C)C1	651784959	409338674	/nfs/dbraw/zinc/33/86/74/409338674.db2.gz	KMQKRGKUWNJYQE-OLZOCXBDSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC[C@H](CC=C)C1	651789378	409338753	/nfs/dbraw/zinc/33/87/53/409338753.db2.gz	KUZIVLAWWLCZLT-QWHCGFSZSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]C2(C)CCC2)C1	651754846	409338882	/nfs/dbraw/zinc/33/88/82/409338882.db2.gz	QEHUYWSIJAYBIT-NWDGAFQWSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@H](CC=C)C1	651789379	409339018	/nfs/dbraw/zinc/33/90/18/409339018.db2.gz	KUZIVLAWWLCZLT-STQMWFEESA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@@H]2C)C1	651806375	409339052	/nfs/dbraw/zinc/33/90/52/409339052.db2.gz	DWSZKMBOZXGSAP-RNJOBUHISA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]C2(C)CCC2)C1	651754848	409339146	/nfs/dbraw/zinc/33/91/46/409339146.db2.gz	QEHUYWSIJAYBIT-VXGBXAGGSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CC=C(C)C)C1	651784961	409339212	/nfs/dbraw/zinc/33/92/12/409339212.db2.gz	KMQKRGKUWNJYQE-STQMWFEESA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CCCCF)C1	651814986	409339237	/nfs/dbraw/zinc/33/92/37/409339237.db2.gz	SAXUHRCWBZVIRL-NEPJUHHUSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]C2(C)CCC2)C1	651754847	409339260	/nfs/dbraw/zinc/33/92/60/409339260.db2.gz	QEHUYWSIJAYBIT-RYUDHWBXSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC[C@@H](CC=C)C1	651789377	409339390	/nfs/dbraw/zinc/33/93/90/409339390.db2.gz	KUZIVLAWWLCZLT-OLZOCXBDSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CC=C(C)C)C1	651784958	409339521	/nfs/dbraw/zinc/33/95/21/409339521.db2.gz	KMQKRGKUWNJYQE-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CC=C(C)C)C1	651784960	409339570	/nfs/dbraw/zinc/33/95/70/409339570.db2.gz	KMQKRGKUWNJYQE-QWHCGFSZSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]C2(C)CCC2)C1	651754845	409339631	/nfs/dbraw/zinc/33/96/31/409339631.db2.gz	QEHUYWSIJAYBIT-NEPJUHHUSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H]2C)C1	651806373	409339768	/nfs/dbraw/zinc/33/97/68/409339768.db2.gz	DWSZKMBOZXGSAP-NDBYEHHHSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CC(=C)CC)C1	651825347	409340485	/nfs/dbraw/zinc/34/04/85/409340485.db2.gz	LMNUTBMSANJFLT-STQMWFEESA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+][C@H]2CC2(C)C)C1	651830817	409340520	/nfs/dbraw/zinc/34/05/20/409340520.db2.gz	OQGAQSZTMCRRQO-SRVKXCTJSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+][C@H](C)C2CC2)C1	651820718	409340639	/nfs/dbraw/zinc/34/06/39/409340639.db2.gz	PQHHTTBBFKLEMD-NTZNESFSSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]C/C=C/CC)C1	651821036	409340793	/nfs/dbraw/zinc/34/07/93/409340793.db2.gz	ALPVLJFJIUFEGD-PBJSTTKNSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+][C@H](C)C2CC2)C1	651820717	409340830	/nfs/dbraw/zinc/34/08/30/409340830.db2.gz	PQHHTTBBFKLEMD-MDZLAQPJSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CCC(=C)C)C1	651821386	409340835	/nfs/dbraw/zinc/34/08/35/409340835.db2.gz	MZSGYZWPUAESMD-OLZOCXBDSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CC(=C)CC)C1	651825345	409341020	/nfs/dbraw/zinc/34/10/20/409341020.db2.gz	LMNUTBMSANJFLT-OLZOCXBDSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]C/C=C\CC)C1	651821035	409341027	/nfs/dbraw/zinc/34/10/27/409341027.db2.gz	ALPVLJFJIUFEGD-NTQVKLLNSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@@H](C)F)C1	651817478	409341061	/nfs/dbraw/zinc/34/10/61/409341061.db2.gz	NBVZCONMJIVJSA-IJLUTSLNSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+][C@H]2CC2(C)C)C1	651830818	409341101	/nfs/dbraw/zinc/34/11/01/409341101.db2.gz	OQGAQSZTMCRRQO-TUAOUCFPSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]C/C=C\CC)C1	651821037	409341226	/nfs/dbraw/zinc/34/12/26/409341226.db2.gz	ALPVLJFJIUFEGD-QLQVPFRHSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CC[C@@H](C)F)C1	651817481	409341279	/nfs/dbraw/zinc/34/12/79/409341279.db2.gz	NBVZCONMJIVJSA-UTUOFQBUSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]CC[C@H](C)F)C1	651817480	409341314	/nfs/dbraw/zinc/34/13/14/409341314.db2.gz	NBVZCONMJIVJSA-TUAOUCFPSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+][C@@H](C)C2CC2)C1	651820715	409341324	/nfs/dbraw/zinc/34/13/24/409341324.db2.gz	PQHHTTBBFKLEMD-GMXVVIOVSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]CCC(=C)C)C1	651821388	409341482	/nfs/dbraw/zinc/34/14/82/409341482.db2.gz	MZSGYZWPUAESMD-STQMWFEESA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CCC(=C)C)C1	651821387	409341516	/nfs/dbraw/zinc/34/15/16/409341516.db2.gz	MZSGYZWPUAESMD-QWHCGFSZSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CCC(=C)C)C1	651821385	409341546	/nfs/dbraw/zinc/34/15/46/409341546.db2.gz	MZSGYZWPUAESMD-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+][C@@H](C)C2CC2)C1	651820716	409341585	/nfs/dbraw/zinc/34/15/85/409341585.db2.gz	PQHHTTBBFKLEMD-GVXVVHGQSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]C/C=C/CC)C1	651821034	409341754	/nfs/dbraw/zinc/34/17/54/409341754.db2.gz	ALPVLJFJIUFEGD-FBVTZJDUSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CC(=C)CC)C1	651825344	409341761	/nfs/dbraw/zinc/34/17/61/409341761.db2.gz	LMNUTBMSANJFLT-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]CC[C@H](C)F)C1	651817479	409341818	/nfs/dbraw/zinc/34/18/18/409341818.db2.gz	NBVZCONMJIVJSA-QJPTWQEYSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]CC(=C)CC)C1	651825346	409341850	/nfs/dbraw/zinc/34/18/50/409341850.db2.gz	LMNUTBMSANJFLT-QWHCGFSZSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CC[C@H]([NH2+]C2(CC)CC2)C1	652203999	409349526	/nfs/dbraw/zinc/34/95/26/409349526.db2.gz	CFKPCRNXTUYFPN-NEPJUHHUSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@H]1CC[C@H]([NH2+]C2(CC)CC2)C1	652204001	409350269	/nfs/dbraw/zinc/35/02/69/409350269.db2.gz	CFKPCRNXTUYFPN-RYUDHWBXSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@H]1CC[C@@H]([NH2+]C2(CC)CC2)C1	652204000	409350528	/nfs/dbraw/zinc/35/05/28/409350528.db2.gz	CFKPCRNXTUYFPN-NWDGAFQWSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CC[C@@H]1CC[C@@H]([NH2+]C2(CC)CC2)C1	652204002	409351292	/nfs/dbraw/zinc/35/12/92/409351292.db2.gz	CFKPCRNXTUYFPN-VXGBXAGGSA-N	1	0	193.334	3.263	10	30		AGEERO
C=CCC[N@@H+](C)CCC(C)(C)C1CC1	653636208	409374454	/nfs/dbraw/zinc/37/44/54/409374454.db2.gz	WHQNEVWKNMGPHI-UHFFFAOYSA-N	1	0	195.350	3.321	10	30		AGEERO
C=CCCC[N@@H+](C)C1CC(C)(C)C1	657242076	409460436	/nfs/dbraw/zinc/46/04/36/409460436.db2.gz	GEHDKIKUSSCPBO-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@@H+](C)C1CC(C)(C)C1	657245088	409460551	/nfs/dbraw/zinc/46/05/51/409460551.db2.gz	PERQVZNLVHSFPD-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(CC)C[N@H+](C)C1CC(C)(C)C1	657245077	409460787	/nfs/dbraw/zinc/46/07/87/409460787.db2.gz	GYBYHLSTOAYZLQ-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[NH2+]C1(C2CCC2)CCC1	657263836	409463880	/nfs/dbraw/zinc/46/38/80/409463880.db2.gz	FGVPSJFRWRKSCM-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CCCC[NH2+]C1(C2CCC2)CCC1	657264014	409464325	/nfs/dbraw/zinc/46/43/25/409464325.db2.gz	UPQJAODEXGYSGV-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=C(CC)C[NH2+]C1(C2CCC2)CCC1	657263879	409464640	/nfs/dbraw/zinc/46/46/40/409464640.db2.gz	YMNDVIBHWMEWDS-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CC[NH2+]C1CCC(C2CCC2)CC1	657287540	409468313	/nfs/dbraw/zinc/46/83/13/409468313.db2.gz	PZVIGIHNXQQNCV-UHFFFAOYSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1CC1	657529551	409479155	/nfs/dbraw/zinc/47/91/55/409479155.db2.gz	WEAHTMNYBIQXQF-STQMWFEESA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1CC1	657529548	409479493	/nfs/dbraw/zinc/47/94/93/409479493.db2.gz	WEAHTMNYBIQXQF-CHWSQXEVSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]1[NH2+]CC1CC1	657529550	409479533	/nfs/dbraw/zinc/47/95/33/409479533.db2.gz	WEAHTMNYBIQXQF-QWHCGFSZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1CC1	657529549	409479559	/nfs/dbraw/zinc/47/95/59/409479559.db2.gz	WEAHTMNYBIQXQF-OLZOCXBDSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]C(C)C	657819818	409498895	/nfs/dbraw/zinc/49/88/95/409498895.db2.gz	ZFXKJKNVAXNKNP-NEPJUHHUSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@H]1CCCC[C@@H]1[NH2+]C(C)C	657819829	409498976	/nfs/dbraw/zinc/49/89/76/409498976.db2.gz	ZFXKJKNVAXNKNP-RYUDHWBXSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1[NH2+]C(C)C	657819830	409499287	/nfs/dbraw/zinc/49/92/87/409499287.db2.gz	ZFXKJKNVAXNKNP-VXGBXAGGSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H](C)C(C)(C)C	134087507	409499534	/nfs/dbraw/zinc/49/95/34/409499534.db2.gz	ZMZRTPHHSOIKMJ-WDEREUQCSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@H](C)C(C)(C)C	134087751	409499793	/nfs/dbraw/zinc/49/97/93/409499793.db2.gz	ZMZRTPHHSOIKMJ-GHMZBOCLSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]1[NH2+]C(C)C	657819828	409500044	/nfs/dbraw/zinc/50/00/44/409500044.db2.gz	ZFXKJKNVAXNKNP-NWDGAFQWSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCF	657925022	409501975	/nfs/dbraw/zinc/50/19/75/409501975.db2.gz	LQYSVFFFRXBUQG-VXGBXAGGSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]1[NH2+]CCCF	657925020	409502154	/nfs/dbraw/zinc/50/21/54/409502154.db2.gz	LQYSVFFFRXBUQG-NWDGAFQWSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCF	657925021	409502328	/nfs/dbraw/zinc/50/23/28/409502328.db2.gz	LQYSVFFFRXBUQG-RYUDHWBXSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCF	657925019	409502870	/nfs/dbraw/zinc/50/28/70/409502870.db2.gz	LQYSVFFFRXBUQG-NEPJUHHUSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@@H]1CCCC12CC2	658029182	409503364	/nfs/dbraw/zinc/50/33/64/409503364.db2.gz	HPVKUNNRMCNACJ-LLVKDONJSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=C)C	657984389	409503526	/nfs/dbraw/zinc/50/35/26/409503526.db2.gz	IBHUMEQFXLKKRQ-QWHCGFSZSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@H]1CCCC12CC2	658029183	409503627	/nfs/dbraw/zinc/50/36/27/409503627.db2.gz	HPVKUNNRMCNACJ-NSHDSACASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCCC[NH2+][C@@H]1CCCC12CC2	657976090	409503974	/nfs/dbraw/zinc/50/39/74/409503974.db2.gz	LDDKDKSGBZXMCR-GFCCVEGCSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=C)C	657984390	409504557	/nfs/dbraw/zinc/50/45/57/409504557.db2.gz	IBHUMEQFXLKKRQ-STQMWFEESA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=C)C	657984387	409504612	/nfs/dbraw/zinc/50/46/12/409504612.db2.gz	IBHUMEQFXLKKRQ-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCCCC[NH2+][C@H]1CCCC12CC2	657976091	409504712	/nfs/dbraw/zinc/50/47/12/409504712.db2.gz	LDDKDKSGBZXMCR-LBPRGKRZSA-N	1	0	193.334	3.265	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=C)C	657984388	409504828	/nfs/dbraw/zinc/50/48/28/409504828.db2.gz	IBHUMEQFXLKKRQ-OLZOCXBDSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[NH2+][C@@H]1CCCC[C@@H]1CC=C	658114764	409506806	/nfs/dbraw/zinc/50/68/06/409506806.db2.gz	QVAWMGPYEMCPSH-QWHCGFSZSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[NH2+][C@@H]1CCC[C@@]1(C)CC	658114822	409506820	/nfs/dbraw/zinc/50/68/20/409506820.db2.gz	ROBOUSYRUYNCDK-VXGBXAGGSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[NH2+][C@H]1CCCC[C@H]1CC=C	658114763	409506869	/nfs/dbraw/zinc/50/68/69/409506869.db2.gz	QVAWMGPYEMCPSH-OLZOCXBDSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[NH2+][C@H]1CCC[C@]1(C)CC	658114821	409506893	/nfs/dbraw/zinc/50/68/93/409506893.db2.gz	ROBOUSYRUYNCDK-RYUDHWBXSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[NH2+][C@@H]1CCCC[C@H]1CC=C	658114761	409507000	/nfs/dbraw/zinc/50/70/00/409507000.db2.gz	QVAWMGPYEMCPSH-CHWSQXEVSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[NH2+][C@H]1CCC[C@@]1(C)CC	658114820	409507015	/nfs/dbraw/zinc/50/70/15/409507015.db2.gz	ROBOUSYRUYNCDK-NWDGAFQWSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCC[NH2+][C@H]1CCCC[C@@H]1CC=C	658114766	409507348	/nfs/dbraw/zinc/50/73/48/409507348.db2.gz	QVAWMGPYEMCPSH-STQMWFEESA-N	1	0	193.334	3.287	10	30		AGEERO
C=CCC[NH2+][C@@H]1CCC[C@]1(C)CC	658114819	409507487	/nfs/dbraw/zinc/50/74/87/409507487.db2.gz	ROBOUSYRUYNCDK-NEPJUHHUSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]C1CC(C)(C)C1	658346978	409517204	/nfs/dbraw/zinc/51/72/04/409517204.db2.gz	UKBGNHHHZWPWQC-WDEREUQCSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[NH2+]C1CC(C)(C)C1	658346975	409517275	/nfs/dbraw/zinc/51/72/75/409517275.db2.gz	UKBGNHHHZWPWQC-GHMZBOCLSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]C1CC(C)(C)C1	658346977	409518111	/nfs/dbraw/zinc/51/81/11/409518111.db2.gz	UKBGNHHHZWPWQC-QWRGUYRKSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[NH2+]C1CC(C)(C)C1	658346976	409518341	/nfs/dbraw/zinc/51/83/41/409518341.db2.gz	UKBGNHHHZWPWQC-MNOVXSKESA-N	1	0	195.350	3.365	10	30		AGEERO
C=C(C)C[N@H+](CC)CCC1CCC1	659828298	409546876	/nfs/dbraw/zinc/54/68/76/409546876.db2.gz	BUCQQJLMBPTIRM-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[N@@H+](C)CCC=C(C)C	659939778	409563107	/nfs/dbraw/zinc/56/31/07/409563107.db2.gz	AYWNHIGHRCFEFD-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CCCC[N@@H+](C)CCC1CCC1	659942671	409563443	/nfs/dbraw/zinc/56/34/43/409563443.db2.gz	YMLSKHHREXKORA-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@H](C)CC	661104608	409627861	/nfs/dbraw/zinc/62/78/61/409627861.db2.gz	AGYKXOGHVZAFMV-LLVKDONJSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@@H](C)CC	661104609	409631230	/nfs/dbraw/zinc/63/12/30/409631230.db2.gz	AGYKXOGHVZAFMV-NSHDSACASA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1[NH2+]C/C=C/C	661116401	409634415	/nfs/dbraw/zinc/63/44/15/409634415.db2.gz	JRYLNSAYSQIMKL-UXOHQCDBSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/C	661116398	409634662	/nfs/dbraw/zinc/63/46/62/409634662.db2.gz	JRYLNSAYSQIMKL-CBSYICTRSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\C	661116399	409635036	/nfs/dbraw/zinc/63/50/36/409635036.db2.gz	JRYLNSAYSQIMKL-NZTAEXDXSA-N	1	0	193.334	3.287	10	30		AGEERO
C=CC[C@@H]1CCCC[C@H]1[NH2+]C/C=C\C	661116400	409635134	/nfs/dbraw/zinc/63/51/34/409635134.db2.gz	JRYLNSAYSQIMKL-UNIPXTFRSA-N	1	0	193.334	3.287	10	30		AGEERO
C=C(C)C[NH+]1CCC(C2CCC2)CC1	661375552	409638103	/nfs/dbraw/zinc/63/81/03/409638103.db2.gz	AOJOKLOJGNRPIH-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](CCCCF)C1	661380159	409640075	/nfs/dbraw/zinc/64/00/75/409640075.db2.gz	BOACHYBVEDCTIV-LBPRGKRZSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CC[C@H]1CCC[N@@H+](CCC(=C)C)C1	661380142	409640228	/nfs/dbraw/zinc/64/02/28/409640228.db2.gz	BBUDKRBVTZZUTA-ZDUSSCGKSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CCC[NH+]1CCC(C2CCC2)CC1	661376866	409641361	/nfs/dbraw/zinc/64/13/61/409641361.db2.gz	JGUQMCWQNRZREX-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](CCC(=C)C)C1	661380141	409641444	/nfs/dbraw/zinc/64/14/44/409641444.db2.gz	BBUDKRBVTZZUTA-CYBMUJFWSA-N	1	0	193.334	3.241	10	30		AGEERO
C=CC[C@@H]1CCC[N@@H+](CCCCF)C1	661380158	409642032	/nfs/dbraw/zinc/64/20/32/409642032.db2.gz	BOACHYBVEDCTIV-GFCCVEGCSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CCCC[N@H+]1CCC[C@H](CCF)C1	661692233	409652815	/nfs/dbraw/zinc/65/28/15/409652815.db2.gz	FFXQOJIUHVRBBX-GFCCVEGCSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CCCC[N@H+]1CCC[C@@H](CCF)C1	661692234	409653599	/nfs/dbraw/zinc/65/35/99/409653599.db2.gz	FFXQOJIUHVRBBX-LBPRGKRZSA-N	1	0	199.313	3.024	10	30		AGEERO
C=C(CC)C[N@@H+]1CCC[C@H](CCF)C1	661688582	409653816	/nfs/dbraw/zinc/65/38/16/409653816.db2.gz	DROYLRXJYLWRCW-GFCCVEGCSA-N	1	0	199.313	3.024	10	30		AGEERO
C=C(C)CC[N@@H+]1CCC[C@H](CCF)C1	661689823	409654916	/nfs/dbraw/zinc/65/49/16/409654916.db2.gz	KYAHZLWALQWQBK-GFCCVEGCSA-N	1	0	199.313	3.024	10	30		AGEERO
C=C(C)CC[N@@H+]1CCC[C@@H](CCF)C1	661689824	409655430	/nfs/dbraw/zinc/65/54/30/409655430.db2.gz	KYAHZLWALQWQBK-LBPRGKRZSA-N	1	0	199.313	3.024	10	30		AGEERO
C=C(CC)C[N@@H+]1CCC[C@@H](CCF)C1	661688583	409655678	/nfs/dbraw/zinc/65/56/78/409655678.db2.gz	DROYLRXJYLWRCW-LBPRGKRZSA-N	1	0	199.313	3.024	10	30		AGEERO
C=CC[N@@H+](CCCC)C(C)(C)C	661754940	409658997	/nfs/dbraw/zinc/65/89/97/409658997.db2.gz	HUMUXIXEPKLIJX-UHFFFAOYSA-N	1	0	169.312	3.073	10	30		AGEERO
C=CC[N@@H+](CC(=C)CC)C(C)(C)C	661756986	409663315	/nfs/dbraw/zinc/66/33/15/409663315.db2.gz	AAQBFINCTDSATN-UHFFFAOYSA-N	1	0	181.323	3.239	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@H]2C[C@H]2C1	661973326	409677980	/nfs/dbraw/zinc/67/79/80/409677980.db2.gz	SIQAWNSJHVYSGG-AVGNSLFASA-N	1	0	193.334	3.073	10	30		AGEERO
C=CCC[NH2+][C@@H](C)C1CCC(F)CC1	661997742	409678499	/nfs/dbraw/zinc/67/84/99/409678499.db2.gz	CBLCNEIGALRAGK-UNXYVOJBSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CCCC[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H]2C1	661973331	409678759	/nfs/dbraw/zinc/67/87/59/409678759.db2.gz	SIQAWNSJHVYSGG-YNEHKIRRSA-N	1	0	193.334	3.073	10	30		AGEERO
C=CCC[NH2+][C@H](C)C1CCC(F)CC1	661997744	409681218	/nfs/dbraw/zinc/68/12/18/409681218.db2.gz	CBLCNEIGALRAGK-VOMCLLRMSA-N	1	0	199.313	3.069	10	30		AGEERO
C=C(C)C[NH2+][C@H](C)C1CCC(F)CC1	662007207	409682077	/nfs/dbraw/zinc/68/20/77/409682077.db2.gz	VCUBKUJTNJGNPU-VOMCLLRMSA-N	1	0	199.313	3.069	10	30		AGEERO
C=C(C)C[N@@H+]1CCC[C@H](C2CCC2)C1	662038897	409682731	/nfs/dbraw/zinc/68/27/31/409682731.db2.gz	NWXMTAHKAKGBLL-ZDUSSCGKSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@@H+]1CCC[C@@H](C2CCC2)C1	662038893	409683009	/nfs/dbraw/zinc/68/30/09/409683009.db2.gz	NWXMTAHKAKGBLL-CYBMUJFWSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[NH2+][C@@H](C)C1CCC(F)CC1	662007204	409683025	/nfs/dbraw/zinc/68/30/25/409683025.db2.gz	VCUBKUJTNJGNPU-UNXYVOJBSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CCC[N@@H+]1CCC[C@@H](C2CCC2)C1	662045896	409685150	/nfs/dbraw/zinc/68/51/50/409685150.db2.gz	WTLITTDOXOTPSJ-CYBMUJFWSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCC[N@@H+]1CCC[C@H](C2CCC2)C1	662045899	409686126	/nfs/dbraw/zinc/68/61/26/409686126.db2.gz	WTLITTDOXOTPSJ-ZDUSSCGKSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2[C@@H](C)CCC	662090148	409689232	/nfs/dbraw/zinc/68/92/32/409689232.db2.gz	KOEYPEYHFWIOCH-RWMBFGLXSA-N	1	0	193.334	3.358	10	30		AGEERO
C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2CCC(C)C	662078391	409689268	/nfs/dbraw/zinc/68/92/68/409689268.db2.gz	BHRMMXUZFHIJMO-BETUJISGSA-N	1	0	193.334	3.216	10	30		AGEERO
C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2CCCCC	662084470	409689467	/nfs/dbraw/zinc/68/94/67/409689467.db2.gz	RRPCMXUWMJMKGZ-BETUJISGSA-N	1	0	193.334	3.360	10	30		AGEERO
C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2C[C@@H](C)CC	662083535	409689612	/nfs/dbraw/zinc/68/96/12/409689612.db2.gz	FNUKHWUPFSKXAI-WCFLWFBJSA-N	1	0	193.334	3.216	10	30		AGEERO
C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2[C@H](C)CCC	662090149	409690181	/nfs/dbraw/zinc/69/01/81/409690181.db2.gz	KOEYPEYHFWIOCH-UPJWGTAASA-N	1	0	193.334	3.358	10	30		AGEERO
C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2C[C@H](C)CC	662083533	409690194	/nfs/dbraw/zinc/69/01/94/409690194.db2.gz	FNUKHWUPFSKXAI-RTXFEEFZSA-N	1	0	193.334	3.216	10	30		AGEERO
C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2CC=C(C)C	662082761	409690247	/nfs/dbraw/zinc/69/02/47/409690247.db2.gz	XPDUSBOLTVYQHR-BETUJISGSA-N	1	0	191.318	3.136	10	30		AGEERO
C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2C1CCCC1	662088071	409690329	/nfs/dbraw/zinc/69/03/29/409690329.db2.gz	VCBSTPGFOIVDGW-BETUJISGSA-N	1	0	191.318	3.112	10	30		AGEERO
C=C1C[C@@H]2CC[C@H](C1)[N@@H+]2CC(=C)CC	662090791	409690437	/nfs/dbraw/zinc/69/04/37/409690437.db2.gz	ROYRLRAEEZVYAX-BETUJISGSA-N	1	0	191.318	3.136	10	30		AGEERO
CC#CCC[N@H+]1[C@@H](C)CCC[C@H]1CC	662159661	409692880	/nfs/dbraw/zinc/69/28/80/409692880.db2.gz	BKIFHWCTDGTKCP-QWHCGFSZSA-N	1	0	193.334	3.053	10	30		AGEERO
C=C(C)C[N@H+]1[C@@H](C)CCC[C@H]1CC	662156621	409694961	/nfs/dbraw/zinc/69/49/61/409694961.db2.gz	ARDVPCMDIBBUNV-NWDGAFQWSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCC[N@H+](CCC1CC1)CC1CC1	662180297	409696737	/nfs/dbraw/zinc/69/67/37/409696737.db2.gz	RAHPFIYODKQONH-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)C[N@H+](CCC1CC1)CC1CC1	662179539	409698507	/nfs/dbraw/zinc/69/85/07/409698507.db2.gz	QBQMWVJZGSAYPB-UHFFFAOYSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCC[N@@H+]1Cc2ccccc2[C@H]1C	662286361	409710935	/nfs/dbraw/zinc/71/09/35/409710935.db2.gz	ZVTIOPPYIHFXCI-LLVKDONJSA-N	1	0	187.286	3.139	10	30		AGEERO
C=C(C)C[N@@H+]1Cc2ccccc2[C@H]1C	662288070	409711351	/nfs/dbraw/zinc/71/13/51/409711351.db2.gz	BEQVTXLTMUNHAF-LLVKDONJSA-N	1	0	187.286	3.139	10	30		AGEERO
C=CCCC[C@@H](C)[N@H+]1CC[C@H]1CC	308422889	409721987	/nfs/dbraw/zinc/72/19/87/409721987.db2.gz	UMNOQAUVQLRKMP-VXGBXAGGSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[C@H](C)[N@H+]1CC[C@@H]1CC	308422888	409722008	/nfs/dbraw/zinc/72/20/08/409722008.db2.gz	UMNOQAUVQLRKMP-RYUDHWBXSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[C@H](C)[N@H+]1CC[C@H]1CC	308422887	409722720	/nfs/dbraw/zinc/72/27/20/409722720.db2.gz	UMNOQAUVQLRKMP-NWDGAFQWSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCC[C@@H](C)[N@H+]1CC[C@@H]1CC	308422886	409724048	/nfs/dbraw/zinc/72/40/48/409724048.db2.gz	UMNOQAUVQLRKMP-NEPJUHHUSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCCCC[N@H+]1CC2CC1(C)C2	662385587	409728282	/nfs/dbraw/zinc/72/82/82/409728282.db2.gz	XINDOFOTOWDYJV-UHFFFAOYSA-N	1	0	193.334	3.217	10	30		AGEERO
C=C(CC)C[NH2+][C@H]1CC2CCC1CC2	308510347	409730028	/nfs/dbraw/zinc/73/00/28/409730028.db2.gz	JDSRKVBVXHUCEE-BPCQOVAHSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(CC)C[NH2+][C@@H]1CC2CCC1CC2	308510348	409730895	/nfs/dbraw/zinc/73/08/95/409730895.db2.gz	JDSRKVBVXHUCEE-WXRRBKDZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[C@@H]1C	310173817	409775321	/nfs/dbraw/zinc/77/53/21/409775321.db2.gz	QNZILNQPVNXVHD-SDDRHHMPSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC(C)(C)C[NH2+][C@@H]1C[C@H](C)[C@H]1C	310173816	409775501	/nfs/dbraw/zinc/77/55/01/409775501.db2.gz	QNZILNQPVNXVHD-QJPTWQEYSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[C@H]1C	310173815	409775643	/nfs/dbraw/zinc/77/56/43/409775643.db2.gz	QNZILNQPVNXVHD-IJLUTSLNSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[C@@H]1C	310173814	409775845	/nfs/dbraw/zinc/77/58/45/409775845.db2.gz	QNZILNQPVNXVHD-GRYCIOLGSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]CC[C@H](C)F	378872336	409811777	/nfs/dbraw/zinc/81/17/77/409811777.db2.gz	QXOGIEAJLSSRIB-QWRGUYRKSA-N	1	0	187.302	3.069	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]CC[C@H](C)F	378872337	409811845	/nfs/dbraw/zinc/81/18/45/409811845.db2.gz	QXOGIEAJLSSRIB-WDEREUQCSA-N	1	0	187.302	3.069	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]CC[C@@H](C)F	378872334	409811916	/nfs/dbraw/zinc/81/19/16/409811916.db2.gz	QXOGIEAJLSSRIB-GHMZBOCLSA-N	1	0	187.302	3.069	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]CC[C@@H](C)F	378872335	409813620	/nfs/dbraw/zinc/81/36/20/409813620.db2.gz	QXOGIEAJLSSRIB-MNOVXSKESA-N	1	0	187.302	3.069	10	30		AGEERO
C=CC[C@H](C)[NH2+]Cc1csc(C)c1	379368527	409834730	/nfs/dbraw/zinc/83/47/30/409834730.db2.gz	OCSVYLDYYVWTHW-VIFPVBQESA-N	1	0	195.331	3.111	10	30		AGEERO
C=CC[C@@H](C)[NH2+]Cc1csc(C)c1	379368526	409834737	/nfs/dbraw/zinc/83/47/37/409834737.db2.gz	OCSVYLDYYVWTHW-SECBINFHSA-N	1	0	195.331	3.111	10	30		AGEERO
C=CCCCCC[N@H+]1CC[C@H]1CC	379369031	409834798	/nfs/dbraw/zinc/83/47/98/409834798.db2.gz	ZXWDRMRSYYQVLI-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCCC[N@H+]1CC[C@@H]1CC	379369032	409835096	/nfs/dbraw/zinc/83/50/96/409835096.db2.gz	ZXWDRMRSYYQVLI-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=C(C)CC[N@@H+](CC)C1CC(C)(C)C1	665249866	409860157	/nfs/dbraw/zinc/86/01/57/409860157.db2.gz	WJRHOGPYTATXEA-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=C(C)C[N@@H+](CC)C1CC(C)(C)C1	665248638	409861308	/nfs/dbraw/zinc/86/13/08/409861308.db2.gz	KNODBLWCWIAVJS-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[N@@H+](CC)C1CC(C)(C)C1	665249108	409861597	/nfs/dbraw/zinc/86/15/97/409861597.db2.gz	CPFJFSFQSLABTG-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[NH2+][C@H]1CC2CCC1CC2	379644864	409863432	/nfs/dbraw/zinc/86/34/32/409863432.db2.gz	XJBUFNRVHURINW-BPCQOVAHSA-N	1	0	193.334	3.121	10	30		AGEERO
C=C(C)CC[NH2+][C@@H]1CC2CCC1CC2	379644865	409864487	/nfs/dbraw/zinc/86/44/87/409864487.db2.gz	XJBUFNRVHURINW-WXRRBKDZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC(C)(C)C[NH2+]CC1(C)CCC1	379873312	409866877	/nfs/dbraw/zinc/86/68/77/409866877.db2.gz	ZTRGWUMGNDFRRL-UHFFFAOYSA-N	1	0	195.350	3.369	10	30		AGEERO
C=CCCC[N@@H+]1CC[C@H](C2CCC2)C1	665285962	409867812	/nfs/dbraw/zinc/86/78/12/409867812.db2.gz	BIPUFLBCVUMEAE-ZDUSSCGKSA-N	1	0	193.334	3.075	10	30		AGEERO
C=CCCC[N@@H+]1CC[C@@H](C2CCC2)C1	665285961	409868669	/nfs/dbraw/zinc/86/86/69/409868669.db2.gz	BIPUFLBCVUMEAE-CYBMUJFWSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)CC[N@@H+]1CC[C@H](C2CCC2)C1	665289949	409869810	/nfs/dbraw/zinc/86/98/10/409869810.db2.gz	CQXYLFRDUYHCRF-ZDUSSCGKSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(C)CC[N@@H+]1CC[C@@H](C2CCC2)C1	665289948	409870836	/nfs/dbraw/zinc/87/08/36/409870836.db2.gz	CQXYLFRDUYHCRF-CYBMUJFWSA-N	1	0	193.334	3.075	10	30		AGEERO
C=C(CC)C[NH2+]Cc1csc(C)c1	381147471	409878748	/nfs/dbraw/zinc/87/87/48/409878748.db2.gz	KTRYSDCPVVASQS-UHFFFAOYSA-N	1	0	195.331	3.112	10	30		AGEERO
C=C(C)CC[NH2+]Cc1csc(C)c1	381140441	409879099	/nfs/dbraw/zinc/87/90/99/409879099.db2.gz	JDZQEVQSZIUOTD-UHFFFAOYSA-N	1	0	195.331	3.112	10	30		AGEERO
C=CCCC[NH2+][C@@H]1CC2CCC1CC2	381630765	409885680	/nfs/dbraw/zinc/88/56/80/409885680.db2.gz	VGHQMXCDMNACHX-WXRRBKDZSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCC[NH2+][C@H]1CC2CCC1CC2	381630763	409885877	/nfs/dbraw/zinc/88/58/77/409885877.db2.gz	VGHQMXCDMNACHX-BPCQOVAHSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCC[C@H]([NH2+]CC[C@@H](C)F)C1CC1	382345237	409902680	/nfs/dbraw/zinc/90/26/80/409902680.db2.gz	DRKHORGSXMXNNE-PWSUYJOCSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC[C@@H](C)F)C1CC1	382345238	409903064	/nfs/dbraw/zinc/90/30/64/409903064.db2.gz	DRKHORGSXMXNNE-ZYHUDNBSSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CCCCCC[N@H+]1C[C@@H](C)[C@@H]1C	382341555	409903806	/nfs/dbraw/zinc/90/38/06/409903806.db2.gz	CFPINFQWNANEMN-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCCC[N@H+]1C[C@@H](C)[C@H]1C	382341561	409903717	/nfs/dbraw/zinc/90/37/17/409903717.db2.gz	CFPINFQWNANEMN-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCCC[N@H+]1C[C@H](C)[C@H]1C	382341558	409903748	/nfs/dbraw/zinc/90/37/48/409903748.db2.gz	CFPINFQWNANEMN-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCCC[N@H+]1C[C@H](C)[C@@H]1C	382341559	409904102	/nfs/dbraw/zinc/90/41/02/409904102.db2.gz	CFPINFQWNANEMN-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@H]([NH2+]CC[C@H](C)F)C1CC1	382345227	409904546	/nfs/dbraw/zinc/90/45/46/409904546.db2.gz	DRKHORGSXMXNNE-JQWIXIFHSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC[C@H](C)F)C1CC1	382345216	409904657	/nfs/dbraw/zinc/90/46/57/409904657.db2.gz	DRKHORGSXMXNNE-CMPLNLGQSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC(C)(C)C[NH2+]C1CC(C(C)C)C1	384915106	409918408	/nfs/dbraw/zinc/91/84/08/409918408.db2.gz	CYPNAZIYYCWFMW-UHFFFAOYSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)C[NH2+]C[C@@H](C)CCC	385013413	409921447	/nfs/dbraw/zinc/92/14/47/409921447.db2.gz	YKSJFTPOHCSYBW-NSHDSACASA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC(C)(C)C[NH2+]C[C@H](C)CCC	385013412	409922886	/nfs/dbraw/zinc/92/28/86/409922886.db2.gz	YKSJFTPOHCSYBW-LLVKDONJSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CCCCC[NH2+][C@H](C)C(C)(C)C	388582168	409957209	/nfs/dbraw/zinc/95/72/09/409957209.db2.gz	FQLCQMRKFQKTGK-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]CCCCF)C1CC1	389288580	409968811	/nfs/dbraw/zinc/96/88/11/409968811.db2.gz	XOJOBCQJECPPAA-LBPRGKRZSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CCC[C@@H]([NH2+]CCCCF)C1CC1	389288579	409969244	/nfs/dbraw/zinc/96/92/44/409969244.db2.gz	XOJOBCQJECPPAA-GFCCVEGCSA-N	1	0	199.313	3.071	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[C@H]21	393948429	409996590	/nfs/dbraw/zinc/99/65/90/409996590.db2.gz	UYDCXNSQICQXMY-WUHRBBMRSA-N	1	0	193.334	3.119	10	30		AGEERO
C=CCCCC[N@@H+](C)CCCC	649224034	410176566	/nfs/dbraw/zinc/17/65/66/410176566.db2.gz	HFIBJINOIOOJAP-UHFFFAOYSA-N	1	0	169.312	3.075	10	30		AGEERO
C=CCCCC[N@@H+](C)[C@H](C)C(C)C	649235627	410177035	/nfs/dbraw/zinc/17/70/35/410177035.db2.gz	HRUMHLGUAWPWAJ-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCCCC[N@@H+](C)[C@@H](C)C1CC1	649235953	410177473	/nfs/dbraw/zinc/17/74/73/410177473.db2.gz	HVZIKGVAEFZFJV-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[N@@H+](C)[C@H](C)C1CC1	649235952	410177690	/nfs/dbraw/zinc/17/76/90/410177690.db2.gz	HVZIKGVAEFZFJV-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCCC[N@@H+](C)[C@@H](C)C(C)C	649235628	410178477	/nfs/dbraw/zinc/17/84/77/410178477.db2.gz	HRUMHLGUAWPWAJ-LBPRGKRZSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CCCCC[N@@H+](C)Cc1ccoc1	649254578	410179810	/nfs/dbraw/zinc/17/98/10/410179810.db2.gz	DYYCQEOQNCQIFV-UHFFFAOYSA-N	1	0	193.290	3.068	10	30		AGEERO
C=CCCCC[NH+](CC=C)CC=C	649245255	410179821	/nfs/dbraw/zinc/17/98/21/410179821.db2.gz	IALBXDTYOCXTHZ-UHFFFAOYSA-N	1	0	179.307	3.017	10	30		AGEERO
C=CCCCC[N@H+]1CCCC[C@H]1C	649239278	410179858	/nfs/dbraw/zinc/17/98/58/410179858.db2.gz	DKNQIGLOSICOQN-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCC[N@H+]1CCCC[C@@H]1C	649239279	410179991	/nfs/dbraw/zinc/17/99/91/410179991.db2.gz	DKNQIGLOSICOQN-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCC[N@@H+](CC)CC(=C)C	649239234	410180116	/nfs/dbraw/zinc/18/01/16/410180116.db2.gz	AAJDRTIXUJCULV-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@@H]1CC	649282514	410183729	/nfs/dbraw/zinc/18/37/29/410183729.db2.gz	DMZBGSODTFZCFN-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCC[N@H+]1CCCC1(C)C	649283993	410184054	/nfs/dbraw/zinc/18/40/54/410184054.db2.gz	XFKGKXVXAXKEKB-UHFFFAOYSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCC[N@H+]1CCC[C@H]1CC	649282513	410184368	/nfs/dbraw/zinc/18/43/68/410184368.db2.gz	DMZBGSODTFZCFN-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCCCC[NH+]1[C@H](C)CC[C@H]1C	649349932	410191388	/nfs/dbraw/zinc/19/13/88/410191388.db2.gz	FWEHZLJRMZGTFW-VXGBXAGGSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCCC[N@@H+](C)CCCC=C	649317436	410187505	/nfs/dbraw/zinc/18/75/05/410187505.db2.gz	XUOCIZGSQIKTOZ-UHFFFAOYSA-N	1	0	181.323	3.241	10	30		AGEERO
C=CCCCC[N@@H+](CC)CC1CC1	649309626	410188093	/nfs/dbraw/zinc/18/80/93/410188093.db2.gz	BMFLGXIHYODOMV-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C1CC[NH+](CC2=CCCCC2)CC1	649303457	410188151	/nfs/dbraw/zinc/18/81/51/410188151.db2.gz	ZLDOMIMCUSPJTO-UHFFFAOYSA-N	1	0	191.318	3.139	10	30		AGEERO
C=CCCCC[N@@H+]1[C@@H](C)CC[C@H]1C	649349931	410191572	/nfs/dbraw/zinc/19/15/72/410191572.db2.gz	FWEHZLJRMZGTFW-TXEJJXNPSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCCC[NH+]1[C@@H](C)CC[C@@H]1C	649349930	410191594	/nfs/dbraw/zinc/19/15/94/410191594.db2.gz	FWEHZLJRMZGTFW-RYUDHWBXSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCCCC[N@@H+](C)C(C)(C)CC	649381815	410192658	/nfs/dbraw/zinc/19/26/58/410192658.db2.gz	DPYNZPYWMZGSEY-UHFFFAOYSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](C)[C@H](F)C1	649416418	410195798	/nfs/dbraw/zinc/19/57/98/410195798.db2.gz	WOUFGELSEBIJTE-VXGBXAGGSA-N	1	0	199.313	3.023	10	30		AGEERO
C=CCCCC[NH+]1CCC2(CC1)CC2	649399943	410194291	/nfs/dbraw/zinc/19/42/91/410194291.db2.gz	BJUQZFODFVBVPO-UHFFFAOYSA-N	1	0	193.334	3.219	10	30		AGEERO
C=CCCCC[N@@H+](C)CCC1CC1	649391465	410194479	/nfs/dbraw/zinc/19/44/79/410194479.db2.gz	DYWVJQWXXXAVFL-UHFFFAOYSA-N	1	0	181.323	3.075	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@@H](C)[C@@H](F)C1	649416415	410196099	/nfs/dbraw/zinc/19/60/99/410196099.db2.gz	WOUFGELSEBIJTE-NEPJUHHUSA-N	1	0	199.313	3.023	10	30		AGEERO
C=C(C)C[N@H+](C)CCC1=CCCCC1	649416295	410197162	/nfs/dbraw/zinc/19/71/62/410197162.db2.gz	GBFMTSZOEHJSCS-UHFFFAOYSA-N	1	0	193.334	3.385	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](C)[C@H](F)C1	649416416	410197205	/nfs/dbraw/zinc/19/72/05/410197205.db2.gz	WOUFGELSEBIJTE-NWDGAFQWSA-N	1	0	199.313	3.023	10	30		AGEERO
C=CCCCC[N@H+]1CC[C@H](C)[C@@H](F)C1	649416417	410197551	/nfs/dbraw/zinc/19/75/51/410197551.db2.gz	WOUFGELSEBIJTE-RYUDHWBXSA-N	1	0	199.313	3.023	10	30		AGEERO
C=CCCCC[NH2+]C1(C(C)C)CC1	649651171	410221596	/nfs/dbraw/zinc/22/15/96/410221596.db2.gz	RXHIEQHPLBNYJO-UHFFFAOYSA-N	1	0	181.323	3.121	10	30		AGEERO
C=CCCCC[N@@H+]1CCC12CCCC2	649658825	410222937	/nfs/dbraw/zinc/22/29/37/410222937.db2.gz	ZUCKHNCRGFEVGD-UHFFFAOYSA-N	1	0	193.334	3.361	10	30		AGEERO
C=C(C)C[N@@H+]1C[C@H](CC)CC[C@@H]1C	650245101	410260974	/nfs/dbraw/zinc/26/09/74/410260974.db2.gz	YBUARBSPFAQQKU-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[N@@H+]1C[C@H](CC)CC[C@@H]1C	650245542	410261036	/nfs/dbraw/zinc/26/10/36/410261036.db2.gz	IUEWYABWKLNXCQ-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@@H+]1[C@H](C)CCC1(C)C	650287639	410264554	/nfs/dbraw/zinc/26/45/54/410264554.db2.gz	IDCKQOHRAZWNCT-LLVKDONJSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(C)CC[N@@H+]1[C@@H](C)CCC1(C)C	650287640	410264577	/nfs/dbraw/zinc/26/45/77/410264577.db2.gz	IDCKQOHRAZWNCT-NSHDSACASA-N	1	0	181.323	3.216	10	30		AGEERO
C=CCC[N@@H+](C(C)C)C1CC(C)(C)C1	650345292	410267593	/nfs/dbraw/zinc/26/75/93/410267593.db2.gz	PRAQFKJCVQXVFU-UHFFFAOYSA-N	1	0	195.350	3.462	10	30		AGEERO
C=C(C)C[N@@H+](C(C)C)C1CC(C)(C)C1	650344781	410267660	/nfs/dbraw/zinc/26/76/60/410267660.db2.gz	JIVUWSDWQNQEJR-UHFFFAOYSA-N	1	0	195.350	3.462	10	30		AGEERO
C=CC[N@@H+](C(C)C)C1CC(C)(C)C1	650344788	410267788	/nfs/dbraw/zinc/26/77/88/410267788.db2.gz	MLBRTWRBEUYDLF-UHFFFAOYSA-N	1	0	181.323	3.071	10	30		AGEERO
C=CC[N+](CC)(CC)c1ccccc1	71778129	717133751	/nfs/dbraw/zinc/13/37/51/717133751.db2.gz	CGDYLEPBUYJHQA-UHFFFAOYSA-N	1	0	190.310	3.220	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@H]1CCC[C@H]1C	300231703	572012238	/nfs/dbraw/zinc/01/22/38/572012238.db2.gz	DPNQAZURTDIKII-WOPDTQHZSA-N	1	0	181.323	3.106	10	30		AGEERO
C=CCCC[C@H]([NH3+])[C@@H]1CCC[C@H]1C	300234348	572016650	/nfs/dbraw/zinc/01/66/50/572016650.db2.gz	NLEYFOBQDCIQIK-UTUOFQBUSA-N	1	0	181.323	3.106	10	30		AGEERO
C#CCC[C@@]1(CCC)CCCCC[NH2+]1	85876229	572830502	/nfs/dbraw/zinc/83/05/02/572830502.db2.gz	YNGBEWFDXAJSMJ-ZDUSSCGKSA-N	1	0	193.334	3.102	10	30		AGEERO
C=C(C)[C@@H](CCCC)[NH2+]CCC	86315547	572916017	/nfs/dbraw/zinc/91/60/17/572916017.db2.gz	KXPQKGHXTZOBAQ-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCCC/C=C/CC(C)(C)[NH3+]	238141509	572946395	/nfs/dbraw/zinc/94/63/95/572946395.db2.gz	UKWABVKZPLAGLR-CMDGGOBGSA-N	1	0	167.296	3.026	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)CC	308208894	572946456	/nfs/dbraw/zinc/94/64/56/572946456.db2.gz	FFQZJFKEZWCDKG-UTUOFQBUSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCCC[C@@H]([NH2+]C)c1coc(C)c1	128767304	573111233	/nfs/dbraw/zinc/11/12/33/573111233.db2.gz	SPYZTFQLTSGMHV-GFCCVEGCSA-N	1	0	193.290	3.205	10	30		AGEERO
C#CC(C)(C)[NH2+]C1CCCCCCC1	69678536	573203031	/nfs/dbraw/zinc/20/30/31/573203031.db2.gz	KUROTRTYSRKNRL-UHFFFAOYSA-N	1	0	193.334	3.101	10	30		AGEERO
C=CCC[C@H]([NH3+])C[C@H](C)C(C)(C)C	129029859	573203550	/nfs/dbraw/zinc/20/35/50/573203550.db2.gz	SHPIQLKIWOXVQO-QWRGUYRKSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CCC[C@@H]([NH2+]CC)C(C)(C)CC	129027644	573205582	/nfs/dbraw/zinc/20/55/82/573205582.db2.gz	HSHNHAUJNTWLBK-LLVKDONJSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH3+])C1(CC)CCCC1	129063255	573212866	/nfs/dbraw/zinc/21/28/66/573212866.db2.gz	UAHQNGZTBGALTQ-NSHDSACASA-N	1	0	181.323	3.250	10	30		AGEERO
C=C[C@@H](C)ON[C@H](C)CC1CCCC1	689840099	573212883	/nfs/dbraw/zinc/21/28/83/573212883.db2.gz	TYSIGGYMQPTVSR-GHMZBOCLSA-N	1	0	197.322	3.051	10	30		AGEERO
CC[C@@H](C)c1ccc([C@H]([NH3+])S)cc1	259603795	573225387	/nfs/dbraw/zinc/22/53/87/573225387.db2.gz	XEVLOSCSNLZHSY-LDYMZIIASA-N	1	0	195.331	3.087	10	30		AGEERO
C=CCC[C@@H]([NH3+])C(CCC)CCC	129094851	573225517	/nfs/dbraw/zinc/22/55/17/573225517.db2.gz	ICWINUIBCILCNO-GFCCVEGCSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCC[C@H]([NH3+])C(CCC)CCC	129095072	573225538	/nfs/dbraw/zinc/22/55/38/573225538.db2.gz	ICWINUIBCILCNO-LBPRGKRZSA-N	1	0	183.339	3.496	10	30		AGEERO
C=CCCC[N@H+](C1CC1)[C@H](C)CC	308312262	573226011	/nfs/dbraw/zinc/22/60/11/573226011.db2.gz	SEOLSPJYPZSLHC-LLVKDONJSA-N	1	0	181.323	3.216	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])C12CCC(CC1)C2	715717263	573239529	/nfs/dbraw/zinc/23/95/29/573239529.db2.gz	BXBIVFHETPWUOK-QCXCNERSSA-N	1	0	193.334	3.106	10	30		AGEERO
C=C(C)[C@@H]([NH3+])c1ccc(C(C)C)cc1	86024936	573239857	/nfs/dbraw/zinc/23/98/57/573239857.db2.gz	MCEAZEUDJJOUQR-CYBMUJFWSA-N	1	0	189.302	3.386	10	30		AGEERO
CCCCCCCC[C@@H]1CC[C@H]1[NH3+]	132237090	573247186	/nfs/dbraw/zinc/24/71/86/573247186.db2.gz	DSIVOHUYVRNDAC-VXGBXAGGSA-N	1	0	183.339	3.474	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])CC(C)(C)CC	715731769	573247358	/nfs/dbraw/zinc/24/73/58/573247358.db2.gz	ICHFEDSRCJPAIG-WDEREUQCSA-N	1	0	183.339	3.352	10	30		AGEERO
C=CC[C@H](C)[C@@H](CC1(C)CC1)[NH2+]CC	715731789	573247500	/nfs/dbraw/zinc/24/75/00/573247500.db2.gz	IFTWVNMIFIDQFT-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
CC#CCCCC[NH2+][C@@H](C)CC(C)C	308523309	573247583	/nfs/dbraw/zinc/24/75/83/573247583.db2.gz	PVHFVHAHKRAIKM-ZDUSSCGKSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C[C@@H](C)[NH2+]C[C@@H](C)C1CCCCC1	308529513	573251935	/nfs/dbraw/zinc/25/19/35/573251935.db2.gz	ZBVTTWYQOJVKPL-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
CCCCCCC[C@H](C)CC[NH3+]	105699276	573271759	/nfs/dbraw/zinc/27/17/59/573271759.db2.gz	LUXFIJNJIQIZBK-NSHDSACASA-N	1	0	171.328	3.332	10	30		AGEERO
C=CC[C@H](C)C1(C[NH3+])CCCCC1	715751469	573273503	/nfs/dbraw/zinc/27/35/03/573273503.db2.gz	CKYXIAIXZQCISV-NSHDSACASA-N	1	0	181.323	3.108	10	30		AGEERO
C=CC[C@H](C)C1([NH3+])CCC(C)(C)CC1	715753644	573273867	/nfs/dbraw/zinc/27/38/67/573273867.db2.gz	BGJOMLTXDXYQTC-NSHDSACASA-N	1	0	195.350	3.496	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[C@@H](C)[NH2+]C(C)C	715755539	573276765	/nfs/dbraw/zinc/27/67/65/573276765.db2.gz	YHGROHONWJRJNF-QJPTWQEYSA-N	1	0	183.339	3.221	10	30		AGEERO
C=CCC[C@@H]([NH2+]C(C)C)c1ccco1	308546463	573313375	/nfs/dbraw/zinc/31/33/75/573313375.db2.gz	VXKRRXJMZTZQFZ-LLVKDONJSA-N	1	0	193.290	3.285	10	30		AGEERO
C=CCCCCCC[NH2+]CCC#CC	308553837	573324546	/nfs/dbraw/zinc/32/45/46/573324546.db2.gz	UEBDKFKLGQPKKG-UHFFFAOYSA-N	1	0	193.334	3.126	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])[C@H]1CCCC[C@H]1C	715770980	573324611	/nfs/dbraw/zinc/32/46/11/573324611.db2.gz	FNHIFBAOHSWMOA-VOAKCMCISA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@@H]([NH3+])CC1CCC(C)(C)CC1	308552797	573324902	/nfs/dbraw/zinc/32/49/02/573324902.db2.gz	YHVQVISVFMVQIB-GFCCVEGCSA-N	1	0	195.350	3.496	10	30		AGEERO
C=CC[C@@H](C)/C=C/CC[NH2+]CC(C)C	715772633	573325022	/nfs/dbraw/zinc/32/50/22/573325022.db2.gz	WGPDFERDMAGCCL-YSKGHYERSA-N	1	0	195.350	3.391	10	30		AGEERO
C=CC[C@H](C)C(C)(C)CC[NH2+]C1CC1	715772562	573325259	/nfs/dbraw/zinc/32/52/59/573325259.db2.gz	JCYBUJOAXAFEHT-NSHDSACASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)/C=C/CC[NH2+]CC(C)C	715772615	573325501	/nfs/dbraw/zinc/32/55/01/573325501.db2.gz	WGPDFERDMAGCCL-PPGNKHEKSA-N	1	0	195.350	3.391	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)CC[NH2+]C(C)C	715772104	573325547	/nfs/dbraw/zinc/32/55/47/573325547.db2.gz	IBRFTEYHNCLQIL-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)CC[NH2+]C(C)C	715772107	573325800	/nfs/dbraw/zinc/32/58/00/573325800.db2.gz	IBRFTEYHNCLQIL-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])[C@@H]1CCCC[C@H]1C	715770984	573326000	/nfs/dbraw/zinc/32/60/00/573326000.db2.gz	FNHIFBAOHSWMOA-XQHKEYJVSA-N	1	0	195.350	3.352	10	30		AGEERO
C=CC[C@@H](C)/C=C\CC[NH2+]CC(C)C	715772608	573326357	/nfs/dbraw/zinc/32/63/57/573326357.db2.gz	WGPDFERDMAGCCL-OYVUYXNMSA-N	1	0	195.350	3.391	10	30		AGEERO
C=CC[C@H](C)C(C)(C)CC[NH2+]CC	715773158	573328765	/nfs/dbraw/zinc/32/87/65/573328765.db2.gz	KXFSDOJBADEODZ-NSHDSACASA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC[C@H](C)[C@H]1CCCC[C@@H]1C[NH2+]C	715777115	573342036	/nfs/dbraw/zinc/34/20/36/573342036.db2.gz	ZDOXAYQRAUJAET-YNEHKIRRSA-N	1	0	195.350	3.224	10	30		AGEERO
C#CCC[NH2+][C@H](CC(C)C)C(C)(C)C	308556003	573342355	/nfs/dbraw/zinc/34/23/55/573342355.db2.gz	ZIUGHXPTXCIABH-GFCCVEGCSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC[C@H](C)[C@@H]1C[C@H](C)CC[C@H]1C[NH3+]	715775430	573342415	/nfs/dbraw/zinc/34/24/15/573342415.db2.gz	SNGHGEDUKYJIMR-VOAKCMCISA-N	1	0	195.350	3.210	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH3+])CC1CCCC1	715776426	573342515	/nfs/dbraw/zinc/34/25/15/573342515.db2.gz	WZCFXHVBYOQTGW-ZYHUDNBSSA-N	1	0	181.323	3.106	10	30		AGEERO
C=C[C@@H](C)C1(C[NH3+])CCC(CC)CC1	308555161	573342567	/nfs/dbraw/zinc/34/25/67/573342567.db2.gz	RURQIMPNOFJUDF-PNESKVBLSA-N	1	0	195.350	3.354	10	30		AGEERO
C=CCCC[NH2+][C@@H](CC)c1ccco1	308557216	573347777	/nfs/dbraw/zinc/34/77/77/573347777.db2.gz	TWYNAYWXCHEQED-NSHDSACASA-N	1	0	193.290	3.287	10	30		AGEERO
C=CC[N@H+]1CCC[C@H](CCC)CC1	308359367	573347177	/nfs/dbraw/zinc/34/71/77/573347177.db2.gz	LRONOYLRTRLGHS-LBPRGKRZSA-N	1	0	181.323	3.075	10	30		AGEERO
C=C(C[NH2+]C1CC=CC1)c1ccccc1	132905245	573347423	/nfs/dbraw/zinc/34/74/23/573347423.db2.gz	OBBZVXXWQNTGSZ-UHFFFAOYSA-N	1	0	199.297	3.008	10	30		AGEERO
C=CC[N@H+]1CCC[C@@H](CCC)CC1	308359365	573347468	/nfs/dbraw/zinc/34/74/68/573347468.db2.gz	LRONOYLRTRLGHS-GFCCVEGCSA-N	1	0	181.323	3.075	10	30		AGEERO
C#CCCC/C(C)=C/CC[NH2+]CCC	308357786	573347745	/nfs/dbraw/zinc/34/77/45/573347745.db2.gz	UVWQEVDKDQCXMF-JLHYYAGUSA-N	1	0	193.334	3.126	10	30		AGEERO
CCC/[NH+]=C1/CCCc2ccccc21	107106797	573348148	/nfs/dbraw/zinc/34/81/48/573348148.db2.gz	HLDTZXARHQUJQQ-YPKPFQOOSA-N	1	0	187.286	3.222	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+][C@H]1C[C@H]1C	308358922	573348410	/nfs/dbraw/zinc/34/84/10/573348410.db2.gz	LKOZLDJIQCWDPX-WOPDTQHZSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+][C@@H]1C[C@@H]1C	308358919	573348466	/nfs/dbraw/zinc/34/84/66/573348466.db2.gz	LKOZLDJIQCWDPX-SDDRHHMPSA-N	1	0	181.323	3.119	10	30		AGEERO
C=C(C)C[C@]1(C[NH3+])CCC[C@@H](CC)C1	308560932	573357341	/nfs/dbraw/zinc/35/73/41/573357341.db2.gz	VZEZHYFBCGAQPH-CHWSQXEVSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C[C@H](C)[C@@]1(C[NH3+])CCC[C@H](CC)C1	308563341	573361590	/nfs/dbraw/zinc/36/15/90/573361590.db2.gz	XGEWFCLXKFGFQE-AVGNSLFASA-N	1	0	195.350	3.354	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+]CCCF	308368558	573366084	/nfs/dbraw/zinc/36/60/84/573366084.db2.gz	PDQUIWSCROLAGL-NSHDSACASA-N	1	0	187.302	3.071	10	30		AGEERO
C=CCCC1(C[NH3+])CCC(CC)CC1	308564543	573370140	/nfs/dbraw/zinc/37/01/40/573370140.db2.gz	XSAKVDSFJBOLFT-UHFFFAOYSA-N	1	0	195.350	3.498	10	30		AGEERO
C=C(/C=C(\C)C[C@@H]1CCCC[NH2+]1)CC	308371225	573379174	/nfs/dbraw/zinc/37/91/74/573379174.db2.gz	ZSHUDGZJXYKCQD-SRXBQZRASA-N	1	0	193.334	3.431	10	30		AGEERO
C=CCC[C@H]([NH2+][C@H]1C[C@@H]1CC)C1CC1	308568325	573384453	/nfs/dbraw/zinc/38/44/53/573384453.db2.gz	BICCKRYTFIYNTD-DRZSPHRISA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH3+])c1ccccc1F	715787355	573386219	/nfs/dbraw/zinc/38/62/19/573386219.db2.gz	WDPKQKXKTLEVSD-BXKDBHETSA-N	1	0	193.265	3.038	10	30		AGEERO
C=CCC[C@@H](CCC)[NH2+][C@H](C)CC#N	308571112	573399743	/nfs/dbraw/zinc/39/97/43/573399743.db2.gz	BZELWOBABFGONQ-VXGBXAGGSA-N	1	0	194.322	3.013	10	30		AGEERO
C=CCC[C@H](CCC)[NH2+][C@H](C)CC#N	308571109	573399878	/nfs/dbraw/zinc/39/98/78/573399878.db2.gz	BZELWOBABFGONQ-NEPJUHHUSA-N	1	0	194.322	3.013	10	30		AGEERO
C=CCC[C@H](C)[N@@H+]1CC[C@H](CC)C1	308381220	573420022	/nfs/dbraw/zinc/42/00/22/573420022.db2.gz	UTPUFPQSERNSNI-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@H](C)[N@@H+]1CC[C@@H](CC)C1	308381218	573420732	/nfs/dbraw/zinc/42/07/32/573420732.db2.gz	UTPUFPQSERNSNI-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH3+])c1ccc(CC)o1	715818075	573467883	/nfs/dbraw/zinc/46/78/83/573467883.db2.gz	XDAGFCUVULSOJJ-SKDRFNHKSA-N	1	0	193.290	3.054	10	30		AGEERO
C=CC[C@H](C)[C@@H]1CCCC[C@@H]([NH2+]C)C1	715818079	573468230	/nfs/dbraw/zinc/46/82/30/573468230.db2.gz	XIQSVOCABDBJFO-YNEHKIRRSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@@H]([NH3+])c1sccc1F	715814731	573468299	/nfs/dbraw/zinc/46/82/99/573468299.db2.gz	LAIJPPVOJSZIGC-VXNVDRBHSA-N	1	0	199.294	3.099	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])c1ccoc1CC	715818108	573468315	/nfs/dbraw/zinc/46/83/15/573468315.db2.gz	XZNLGDSPIXDDIW-CABZTGNLSA-N	1	0	193.290	3.054	10	30		AGEERO
C#C[C@H]([NH2+]CCC)[C@H](CC)CCCC	130094872	573468675	/nfs/dbraw/zinc/46/86/75/573468675.db2.gz	RZQOGIXNFGKXGU-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@H](C)C[C@@H](C)C[NH2+]CCC	715817271	573469274	/nfs/dbraw/zinc/46/92/74/573469274.db2.gz	ULOZTAYNQCQOEN-NWDGAFQWSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC[C@H](C)CC[C@H](CCC)[NH2+]C	715818070	573469563	/nfs/dbraw/zinc/46/95/63/573469563.db2.gz	XCMTWZGAIPDQJY-RYUDHWBXSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH3+])C1C(C)(C)C1(C)C	715816118	573469823	/nfs/dbraw/zinc/46/98/23/573469823.db2.gz	VJYMNRJWOPUFBK-UWVGGRQHSA-N	1	0	195.350	3.208	10	30		AGEERO
C[C@H](CC#N)[NH2+][C@H](C)CCC(C)(C)C	308584712	573470282	/nfs/dbraw/zinc/47/02/82/573470282.db2.gz	RHIOHFDKCGSDHN-GHMZBOCLSA-N	1	0	196.338	3.093	10	30		AGEERO
C=CC[C@@H](C)CC[C@@H](CCC)[NH2+]C	715818071	573470326	/nfs/dbraw/zinc/47/03/26/573470326.db2.gz	XCMTWZGAIPDQJY-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@H](C)[C@H]([NH2+]C)C1(CCC)CC1	715815223	573470346	/nfs/dbraw/zinc/47/03/46/573470346.db2.gz	QOGFUSKXDHBJSV-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@@H](C)[C@H]([NH3+])C1C(C)(C)C1(C)C	715816126	573470373	/nfs/dbraw/zinc/47/03/73/573470373.db2.gz	VJYMNRJWOPUFBK-ZJUUUORDSA-N	1	0	195.350	3.208	10	30		AGEERO
C=CC[C@H](C)[C@H]1CCCC[C@H]([NH2+]C)C1	715818076	573470429	/nfs/dbraw/zinc/47/04/29/573470429.db2.gz	XIQSVOCABDBJFO-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[C@H]1CCCC[C@@H]([NH2+]C)C1	715818077	573470531	/nfs/dbraw/zinc/47/05/31/573470531.db2.gz	XIQSVOCABDBJFO-RWMBFGLXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)C[C@H](C)C[NH2+]CCC	715817274	573470816	/nfs/dbraw/zinc/47/08/16/573470816.db2.gz	ULOZTAYNQCQOEN-RYUDHWBXSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC[C@@H](C)C[C@H](C)C[NH2+]CCC	715817269	573470908	/nfs/dbraw/zinc/47/09/08/573470908.db2.gz	ULOZTAYNQCQOEN-NEPJUHHUSA-N	1	0	183.339	3.224	10	30		AGEERO
C=CC[C@@H](C)C1(C[NH2+]C2CC2)CCC1	715826919	573473394	/nfs/dbraw/zinc/47/33/94/573473394.db2.gz	FFKXHCLKLNOCAC-LLVKDONJSA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@H](C)[C@H](C[C@@H](C)CC)[NH2+]C	715825426	573473556	/nfs/dbraw/zinc/47/35/56/573473556.db2.gz	BPJWRRMNIKCHGZ-SRVKXCTJSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)[C@H](C[C@H](C)CC)[NH2+]C	715825435	573474108	/nfs/dbraw/zinc/47/41/08/573474108.db2.gz	BPJWRRMNIKCHGZ-WOPDTQHZSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](F)CC	308593864	573474246	/nfs/dbraw/zinc/47/42/46/573474246.db2.gz	LMTKDOGDMBQIPE-UTUOFQBUSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@H](C)[C@@H](C[C@@H](C)CC)[NH2+]C	715825425	573475076	/nfs/dbraw/zinc/47/50/76/573475076.db2.gz	BPJWRRMNIKCHGZ-SDDRHHMPSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@H](C)C1(C[NH2+]C2CC2)CCC1	715826921	573475108	/nfs/dbraw/zinc/47/51/08/573475108.db2.gz	FFKXHCLKLNOCAC-NSHDSACASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](F)CC	308593865	573475226	/nfs/dbraw/zinc/47/52/26/573475226.db2.gz	LMTKDOGDMBQIPE-WOPDTQHZSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](F)CC	308593862	573475778	/nfs/dbraw/zinc/47/57/78/573475778.db2.gz	LMTKDOGDMBQIPE-GRYCIOLGSA-N	1	0	199.313	3.069	10	30		AGEERO
C=CC[C@H](C)[C@@](C)(CC)C[NH2+]C1CC1	715827099	573479294	/nfs/dbraw/zinc/47/92/94/573479294.db2.gz	FYUMODSXJLADBX-AAEUAGOBSA-N	1	0	195.350	3.367	10	30		AGEERO
C#C[C@@H](CCCCCCCCC)[NH2+]C	130194136	573485287	/nfs/dbraw/zinc/48/52/87/573485287.db2.gz	BMTSLJKMJHLKDG-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
C#C[C@H]([NH3+])CCCCCCCCC	130194541	573485911	/nfs/dbraw/zinc/48/59/11/573485911.db2.gz	MPXQNWOKPVCSLE-LBPRGKRZSA-N	1	0	181.323	3.088	10	30		AGEERO
C#C[C@H](CCCCCCCCC)[NH2+]C	130193918	573486020	/nfs/dbraw/zinc/48/60/20/573486020.db2.gz	BMTSLJKMJHLKDG-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C=C[C@@H](C)C[N@@H+](C)CC/C=C\CC	308397852	573500457	/nfs/dbraw/zinc/50/04/57/573500457.db2.gz	FJWFLAOXFXTDSO-QDZRJHCZSA-N	1	0	181.323	3.097	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)CC1CC1	308604192	573519091	/nfs/dbraw/zinc/51/90/91/573519091.db2.gz	BIMQZUYQSCQTNW-SDDRHHMPSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H]([NH3+])C1=CCCCCCC1	236286587	573537658	/nfs/dbraw/zinc/53/76/58/573537658.db2.gz	UGZYQMMVFDORTC-LBPRGKRZSA-N	1	0	179.307	3.170	10	30		AGEERO
C#CC[C@H](C)[NH2+][C@H](CCC)CCCC	308629831	573549752	/nfs/dbraw/zinc/54/97/52/573549752.db2.gz	YNDPROOPDNZNCB-QWHCGFSZSA-N	1	0	195.350	3.347	10	30		AGEERO
CC#CCCCC[NH2+][C@H](CC)C(C)C	308625116	573568712	/nfs/dbraw/zinc/56/87/12/573568712.db2.gz	VOORBAUELJBEGQ-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[N@@H+](CC)CCC	393536900	573568833	/nfs/dbraw/zinc/56/88/33/573568833.db2.gz	HVKNVCLFNGYWIW-VXGBXAGGSA-N	1	0	183.339	3.319	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[N@@H+](CC)CCC	393536899	573570255	/nfs/dbraw/zinc/57/02/55/573570255.db2.gz	HVKNVCLFNGYWIW-RYUDHWBXSA-N	1	0	183.339	3.319	10	30		AGEERO
CCCC[C@H](C)[N@H+](C)[C@H](CC)CC#N	308636436	573577439	/nfs/dbraw/zinc/57/74/39/573577439.db2.gz	BCTLWHYESTTZNT-NWDGAFQWSA-N	1	0	196.338	3.189	10	30		AGEERO
C=CC[C@H](C)[NH2+][C@@H]1CCC[C@H]1C(C)C	308638422	573583698	/nfs/dbraw/zinc/58/36/98/573583698.db2.gz	DBNPOONFSFMMNL-RWMBFGLXSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@H](C)[NH2+]CC1CCCCCC1	130443674	573583789	/nfs/dbraw/zinc/58/37/89/573583789.db2.gz	DTESWBBMDRGLNK-NSHDSACASA-N	1	0	181.323	3.121	10	30		AGEERO
C#[N+]c1ccc(C(C)(C)C#N)cc1	259520621	573592612	/nfs/dbraw/zinc/59/26/12/573592612.db2.gz	DBIYXNUVRQPREB-UHFFFAOYSA-N	1	0	170.215	3.039	10	30		AGEERO
C=C[C@@H](C[C@@H](C)C(C)(C)C)[NH2+]CC	130493087	573602093	/nfs/dbraw/zinc/60/20/93/573602093.db2.gz	VFHMAHUHZZLBJP-MNOVXSKESA-N	1	0	183.339	3.223	10	30		AGEERO
C=C[C@H]([NH2+]CC)[C@H](CC)CCCC	130561471	573602273	/nfs/dbraw/zinc/60/22/73/573602273.db2.gz	SLQVKJPOTIJNRR-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1c(C)oc(C)c1C	130490271	573602607	/nfs/dbraw/zinc/60/26/07/573602607.db2.gz	JCUWHRWOJMAKAJ-NSHDSACASA-N	1	0	193.290	3.041	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@@H](CC(C)(C)C)C1CC1	308647341	573606875	/nfs/dbraw/zinc/60/68/75/573606875.db2.gz	IJRPDWUKEZXIHS-PWSUYJOCSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C[C@@H]([NH3+])C1CCC(CCCC)CC1	130584908	573607157	/nfs/dbraw/zinc/60/71/57/573607157.db2.gz	WYGFMQNPGNEXMF-WXRRBKDZSA-N	1	0	195.350	3.496	10	30		AGEERO
C=C[C@@H]([NH2+]CCC)c1ccc(C)s1	130578149	573609934	/nfs/dbraw/zinc/60/99/34/573609934.db2.gz	LPHCRTYOVKEHAY-SNVBAGLBSA-N	1	0	195.331	3.283	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1[C@@H](C)CC[C@H]1C	308644242	573622336	/nfs/dbraw/zinc/62/23/36/573622336.db2.gz	GQCNQZXTFMWZRF-XQHKEYJVSA-N	1	0	195.350	3.365	10	30		AGEERO
C=CC[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1C	308658829	573622350	/nfs/dbraw/zinc/62/23/50/573622350.db2.gz	PDUWJYXRCIQGOM-FRRDWIJNSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)C1CC1	308659428	573622724	/nfs/dbraw/zinc/62/27/24/573622724.db2.gz	PKTQAQBYTNXEQS-QJPTWQEYSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H](C)c1ccco1	126681476	573629047	/nfs/dbraw/zinc/62/90/47/573629047.db2.gz	RCYMWBUAGRPQNR-QWRGUYRKSA-N	1	0	193.290	3.285	10	30		AGEERO
C=C[C@@H]([NH2+]CC)c1ccccc1CC	130637775	573629457	/nfs/dbraw/zinc/62/94/57/573629457.db2.gz	STAIILHQJVCFHW-CYBMUJFWSA-N	1	0	189.302	3.086	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1ccccc1CC	130637954	573632606	/nfs/dbraw/zinc/63/26/06/573632606.db2.gz	STAIILHQJVCFHW-ZDUSSCGKSA-N	1	0	189.302	3.086	10	30		AGEERO
C#CC[C@@H](C)[NH2+][C@@H](C)CCC=C(C)C	308652564	573638102	/nfs/dbraw/zinc/63/81/02/573638102.db2.gz	LRCBCSIICQKIFO-OLZOCXBDSA-N	1	0	193.334	3.123	10	30		AGEERO
C=C[C@@H](CCCCC)[NH2+]CCC	130645931	573638230	/nfs/dbraw/zinc/63/82/30/573638230.db2.gz	BVZUDTQOAOUHNQ-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C[C@H]([NH2+]CC)c1ccc(C)c(C)c1	130650946	573638548	/nfs/dbraw/zinc/63/85/48/573638548.db2.gz	PBVKYFBWPNXHRC-ZDUSSCGKSA-N	1	0	189.302	3.140	10	30		AGEERO
CCCCCCCCC(C)(C)[NH3+]	107549271	573638627	/nfs/dbraw/zinc/63/86/27/573638627.db2.gz	FNVKKTKUHFPYAW-UHFFFAOYSA-N	1	0	171.328	3.474	10	30		AGEERO
C#CC[C@H](C)[NH2+][C@H](C)CCC=C(C)C	308652566	573637973	/nfs/dbraw/zinc/63/79/73/573637973.db2.gz	LRCBCSIICQKIFO-QWHCGFSZSA-N	1	0	193.334	3.123	10	30		AGEERO
C=C[C@H](CCCCC)[NH2+]CCC	130645731	573638878	/nfs/dbraw/zinc/63/88/78/573638878.db2.gz	BVZUDTQOAOUHNQ-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
CC#CC[NH2+][C@H](C)C[C@@H](C)CC(C)C	308661092	573668662	/nfs/dbraw/zinc/66/86/62/573668662.db2.gz	PYHSMVKYYNZEFJ-QWHCGFSZSA-N	1	0	195.350	3.060	10	30		AGEERO
CC#CC[NH2+][C@@H](C)C[C@H](C)CC(C)C	308661091	573668754	/nfs/dbraw/zinc/66/87/54/573668754.db2.gz	PYHSMVKYYNZEFJ-OLZOCXBDSA-N	1	0	195.350	3.060	10	30		AGEERO
CC#CC[NH2+][C@@H](C)C[C@@H](C)CC(C)C	308661093	573668879	/nfs/dbraw/zinc/66/88/79/573668879.db2.gz	PYHSMVKYYNZEFJ-STQMWFEESA-N	1	0	195.350	3.060	10	30		AGEERO
C=C(C)C[C@H]([NH3+])CC1CCCCC1	130816234	573682947	/nfs/dbraw/zinc/68/29/47/573682947.db2.gz	QBQPJVAIZVIHCK-LBPRGKRZSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CC[NH2+][C@H](C)c1c(C)cccc1C	308668004	573682627	/nfs/dbraw/zinc/68/26/27/573682627.db2.gz	UFYXCJKPWFEOCD-GFCCVEGCSA-N	1	0	189.302	3.140	10	30		AGEERO
C=C(C)CC1(C[NH2+]C2CC2)CCCC1	317788928	573682687	/nfs/dbraw/zinc/68/26/87/573682687.db2.gz	QJMNNVWUVXNLDR-UHFFFAOYSA-N	1	0	193.334	3.265	10	30		AGEERO
C=C(C)C[C@H]([NH2+]CC)C(CC)CC	130839548	573682794	/nfs/dbraw/zinc/68/27/94/573682794.db2.gz	NTBNZVAGAWETLJ-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CCC[C@H]([NH2+]CC=C)c1ccco1	308670881	573686163	/nfs/dbraw/zinc/68/61/63/573686163.db2.gz	VBJYZGXKQICEPG-NSHDSACASA-N	1	0	191.274	3.063	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1cc(C)oc1C	130845689	573686494	/nfs/dbraw/zinc/68/64/94/573686494.db2.gz	QPAITINKVSAQAJ-GFCCVEGCSA-N	1	0	193.290	3.123	10	30		AGEERO
C=CC[C@H]1CCC[C@@H]1[NH2+]C1CC(C)C1	308671267	573686623	/nfs/dbraw/zinc/68/66/23/573686623.db2.gz	VEJDIWALUKQPML-MVKMKZAISA-N	1	0	193.334	3.119	10	30		AGEERO
C=CC[C@H]([NH3+])c1cc(C)ccc1Cl	238481535	573697076	/nfs/dbraw/zinc/69/70/76/573697076.db2.gz	FLMBHUWYHUATOI-NSHDSACASA-N	1	0	195.693	3.224	10	30		AGEERO
CCCC[P+](=O)CCCC	135962756	573698761	/nfs/dbraw/zinc/69/87/61/573698761.db2.gz	JMCNGFNJWDJIIV-UHFFFAOYSA-N	1	0	161.205	3.414	10	30		AGEERO
C=C(C)C[C@H]([NH3+])[C@@H](CC)CCCC	130789030	573711642	/nfs/dbraw/zinc/71/16/42/573711642.db2.gz	XKNDJAPRKRINQN-RYUDHWBXSA-N	1	0	183.339	3.496	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]CC)[C@H](C)CCC	130952901	573714578	/nfs/dbraw/zinc/71/45/78/573714578.db2.gz	NJEHVKJNOYVEPR-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)C[C@@H]([NH2+]C)c1ccc(CC)o1	130957728	573714988	/nfs/dbraw/zinc/71/49/88/573714988.db2.gz	RROPQYNJEHKWAS-LLVKDONJSA-N	1	0	193.290	3.069	10	30		AGEERO
C=C(C)C[C@@H](CC1CCCC1)[NH2+]C	130976810	573756638	/nfs/dbraw/zinc/75/66/38/573756638.db2.gz	ZAAQDEGUNTXNMI-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(CC)C[C@H]([NH2+]CC)[C@@H]1CC1(C)C	233556828	573756951	/nfs/dbraw/zinc/75/69/51/573756951.db2.gz	FWKAGVGUOZCLCT-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(C)C[C@@H]1CC(C)=CCCC[NH2+]1	238097553	573757085	/nfs/dbraw/zinc/75/70/85/573757085.db2.gz	XSXRNHINOTZBRV-GFCCVEGCSA-N	1	0	179.307	3.041	10	30		AGEERO
C=CC[C@@H](C)[C@@H](C)[NH2+]C(CC)CC	308434865	573773375	/nfs/dbraw/zinc/77/33/75/573773375.db2.gz	VQIRKCCSMLJMHM-GHMZBOCLSA-N	1	0	183.339	3.365	10	30		AGEERO
C=CC[C@@H](C)[C@H](C)[NH2+]C(CC)CC	308434867	573773689	/nfs/dbraw/zinc/77/36/89/573773689.db2.gz	VQIRKCCSMLJMHM-MNOVXSKESA-N	1	0	183.339	3.365	10	30		AGEERO
C=C[C@@H](C)C[N@@H+](C)CCCCCC	308435605	573773787	/nfs/dbraw/zinc/77/37/87/573773787.db2.gz	WFFFCYHXNHDNQR-GFCCVEGCSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[C@H](C)[C@H](C)[NH2+]C(CC)CC	308434868	573775106	/nfs/dbraw/zinc/77/51/06/573775106.db2.gz	VQIRKCCSMLJMHM-QWRGUYRKSA-N	1	0	183.339	3.365	10	30		AGEERO
CCCCCCC[C@@H]([NH3+])CC1CC1	127166053	573782566	/nfs/dbraw/zinc/78/25/66/573782566.db2.gz	LEAUJQSEJRNFHC-GFCCVEGCSA-N	1	0	183.339	3.474	10	30		AGEERO
CC(=CC(C)=[NH+]C(C)C)NC(C)(C)C	100238455	573784142	/nfs/dbraw/zinc/78/41/42/573784142.db2.gz	SOCKGUBDJQAXJQ-BOTKGMRRSA-N	1	0	196.338	3.148	10	30		AGEERO
C=C(C)[C@@H](CC1CCCCC1)[NH2+]C	131237672	573794188	/nfs/dbraw/zinc/79/41/88/573794188.db2.gz	NMALGEHSAYGDHY-GFCCVEGCSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@@H](CCCCCC)[NH2+]C	131233963	573794507	/nfs/dbraw/zinc/79/45/07/573794507.db2.gz	WPBSXWQEBOPKAB-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)[C@@H]([NH3+])C[C@@H](C)CC(C)(C)C	131234430	573794735	/nfs/dbraw/zinc/79/47/35/573794735.db2.gz	CSQLDPPADFGROR-MNOVXSKESA-N	1	0	183.339	3.352	10	30		AGEERO
C#C[C@@H](C)[NH2+]CC[C@@H](CC)CCCC	308729279	573795076	/nfs/dbraw/zinc/79/50/76/573795076.db2.gz	IHWQZJRKAFNTOA-OLZOCXBDSA-N	1	0	195.350	3.204	10	30		AGEERO
C=CCC[C@@H](CC)[NH2+]CC1(F)CCC1	308725896	573795135	/nfs/dbraw/zinc/79/51/35/573795135.db2.gz	GPRVRYQZCVCBTO-LLVKDONJSA-N	1	0	199.313	3.213	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]CC1(F)CCC1	308725897	573795604	/nfs/dbraw/zinc/79/56/04/573795604.db2.gz	GPRVRYQZCVCBTO-NSHDSACASA-N	1	0	199.313	3.213	10	30		AGEERO
C=CC[N@@H+](CC)Cc1sccc1C	308442189	573796052	/nfs/dbraw/zinc/79/60/52/573796052.db2.gz	ZHQBODRDBVDLIH-UHFFFAOYSA-N	1	0	195.331	3.064	10	30		AGEERO
C#C[C@@H](C)[NH2+]CC[C@H](CC)CCCC	308729278	573796163	/nfs/dbraw/zinc/79/61/63/573796163.db2.gz	IHWQZJRKAFNTOA-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)C(CCC)CCC	131267573	573804937	/nfs/dbraw/zinc/80/49/37/573804937.db2.gz	UHPHLYLPBVKXPI-LBPRGKRZSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@H](CCCCC)[NH2+]CC	131276235	573807350	/nfs/dbraw/zinc/80/73/50/573807350.db2.gz	FELJHLOJSHBKJM-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)c1sccc1C	131271492	573807500	/nfs/dbraw/zinc/80/75/00/573807500.db2.gz	QQKUDUHDIIANJI-JTQLQIEISA-N	1	0	195.331	3.283	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)[C@@H](CC)CCCC	131321726	573807610	/nfs/dbraw/zinc/80/76/10/573807610.db2.gz	XMAQRIDYILYUGF-NWDGAFQWSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@H]([NH2+]CCC)[C@H](C)C(C)C	131262546	573807707	/nfs/dbraw/zinc/80/77/07/573807707.db2.gz	DPPWWCCNTXCERV-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(C)[C@H](CC1CCCC1)[NH2+]CC	131304346	573810837	/nfs/dbraw/zinc/81/08/37/573810837.db2.gz	PFIZVKWMYNCDBX-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@@H]([NH2+]C)[C@H](CC)CCCC	131321551	573813973	/nfs/dbraw/zinc/81/39/73/573813973.db2.gz	XMAQRIDYILYUGF-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=C(C)[C@H](C[C@H](C)CC)[NH2+]CCC	131404692	573826436	/nfs/dbraw/zinc/82/64/36/573826436.db2.gz	KEAHXFKBJKHNAQ-NEPJUHHUSA-N	1	0	183.339	3.367	10	30		AGEERO
CC#CCCCC[NH2+][C@H](C)[C@H](C)CC	308751109	573826831	/nfs/dbraw/zinc/82/68/31/573826831.db2.gz	UQMDPVQKWKFBLE-CHWSQXEVSA-N	1	0	195.350	3.204	10	30		AGEERO
CCCCCC[C@H](C)N[C@@H](C#N)CC	43541124	573832461	/nfs/dbraw/zinc/83/24/61/573832461.db2.gz	DJPUYKOUJWCQEZ-NWDGAFQWSA-N	1	0	196.338	3.237	10	30		AGEERO
CC[C@H](C#N)N[C@H](C)CCCC(C)C	43541044	573835751	/nfs/dbraw/zinc/83/57/51/573835751.db2.gz	UYKSQLLRUGQWPG-VXGBXAGGSA-N	1	0	196.338	3.093	10	30		AGEERO
CC[C@@H](C#N)N[C@H](C)CCCC(C)C	43541043	573835787	/nfs/dbraw/zinc/83/57/87/573835787.db2.gz	UYKSQLLRUGQWPG-NEPJUHHUSA-N	1	0	196.338	3.093	10	30		AGEERO
C=C[C@H](C)[N@H+](CCCCC)C(C)C	308448697	573837776	/nfs/dbraw/zinc/83/77/76/573837776.db2.gz	CLFHXRWCNRIAJM-LBPRGKRZSA-N	1	0	183.339	3.462	10	30		AGEERO
C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[C@H]21	308763443	573837806	/nfs/dbraw/zinc/83/78/06/573837806.db2.gz	ZDQVWPUZEATPGX-WUHRBBMRSA-N	1	0	193.334	3.119	10	30		AGEERO
C=C(C)[C@H]([NH2+]C)c1sccc1CC	131322947	573842339	/nfs/dbraw/zinc/84/23/39/573842339.db2.gz	CGGOYFXCFHINLU-JTQLQIEISA-N	1	0	195.331	3.147	10	30		AGEERO
C=C(C)[C@@H]([NH2+]CCC)c1coc(C)c1	131332541	573846606	/nfs/dbraw/zinc/84/66/06/573846606.db2.gz	DOHPQTDMJXJZKL-GFCCVEGCSA-N	1	0	193.290	3.205	10	30		AGEERO
C=C(C)[C@H](CCC1CCCC1)[NH2+]C	131359676	573847333	/nfs/dbraw/zinc/84/73/33/573847333.db2.gz	BCEKTDMBYZTCES-LBPRGKRZSA-N	1	0	181.323	3.121	10	30		AGEERO
C=C(C)[C@H]([NH3+])CCCCCCC	131371814	573858668	/nfs/dbraw/zinc/85/86/68/573858668.db2.gz	RTVRCKAZHJCAAM-LLVKDONJSA-N	1	0	169.312	3.250	10	30		AGEERO
C=C(C)[C@H]([NH3+])[C@H](CC)c1ccccc1	131372688	573859123	/nfs/dbraw/zinc/85/91/23/573859123.db2.gz	QNYIJKVLLICCFI-OLZOCXBDSA-N	1	0	189.302	3.084	10	30		AGEERO
C=C(C)[C@@H]([NH3+])CCCCCCC	131371614	573859212	/nfs/dbraw/zinc/85/92/12/573859212.db2.gz	RTVRCKAZHJCAAM-NSHDSACASA-N	1	0	169.312	3.250	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])C1(C)CCCC1	131513884	573865644	/nfs/dbraw/zinc/86/56/44/573865644.db2.gz	OAQIRYIUIZWNCS-LLVKDONJSA-N	1	0	181.323	3.250	10	30		AGEERO
C=CCC/C=C\CC[NH2+]CC(C)C	211737796	573865671	/nfs/dbraw/zinc/86/56/71/573865671.db2.gz	UJPXFODMRCJOGO-FPLPWBNLSA-N	1	0	181.323	3.145	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C1(C)CCCC1	131513696	573866310	/nfs/dbraw/zinc/86/63/10/573866310.db2.gz	OAQIRYIUIZWNCS-NSHDSACASA-N	1	0	181.323	3.250	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)c1cc(C)oc1C	131380898	573866884	/nfs/dbraw/zinc/86/68/84/573866884.db2.gz	QDUPSHMLXFCEQZ-LBPRGKRZSA-N	1	0	193.290	3.123	10	30		AGEERO
C=C(CC)C[C@@H]([NH2+]C)c1ccc(C)o1	131510483	573867328	/nfs/dbraw/zinc/86/73/28/573867328.db2.gz	KKQBGJNGBAWWIY-LLVKDONJSA-N	1	0	193.290	3.205	10	30		AGEERO
C=C(C)[C@@H](C[C@@H](C)C(C)(C)C)[NH2+]C	131456261	573876290	/nfs/dbraw/zinc/87/62/90/573876290.db2.gz	ICCGPJODPOOYNH-GHMZBOCLSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H](C1CC1)C(C)(C)C	715037781	573876291	/nfs/dbraw/zinc/87/62/91/573876291.db2.gz	FNMMPZNJUCKFQQ-ZYHUDNBSSA-N	1	0	195.350	3.365	10	30		AGEERO
C=C(C)[C@H]([NH2+]CC)C1C(C)(C)C1(C)C	131458766	573878048	/nfs/dbraw/zinc/87/80/48/573878048.db2.gz	WSZOTUBWAWOFFW-JTQLQIEISA-N	1	0	195.350	3.223	10	30		AGEERO
C=C(C)[C@H](C[C@H](C)C(C)(C)C)[NH2+]C	131455684	573878688	/nfs/dbraw/zinc/87/86/88/573878688.db2.gz	ICCGPJODPOOYNH-QWRGUYRKSA-N	1	0	183.339	3.223	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])C[C@H](C)CC	131607882	573891546	/nfs/dbraw/zinc/89/15/46/573891546.db2.gz	GFBUMOZTBBLFLE-MNOVXSKESA-N	1	0	169.312	3.106	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@@H](C(C)C)C1CCC1	715052940	573898717	/nfs/dbraw/zinc/89/87/17/573898717.db2.gz	JTAFGNZFLAUBLB-YPMHNXCESA-N	1	0	195.350	3.365	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])[C@@H](C)CCC	131573896	573901520	/nfs/dbraw/zinc/90/15/20/573901520.db2.gz	WGBFQHTUTFYSSC-QWRGUYRKSA-N	1	0	169.312	3.106	10	30		AGEERO
C=C(CC)C[C@H](C[C@H](C)CC)[NH2+]C	131570261	573903125	/nfs/dbraw/zinc/90/31/25/573903125.db2.gz	YYSWIZCOZNEBFH-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H]1CC12CCCCC2	715054423	573903288	/nfs/dbraw/zinc/90/32/88/573903288.db2.gz	RBEUJYCXJKHXNL-NEPJUHHUSA-N	1	0	193.334	3.263	10	30		AGEERO
C=C(CC)C[C@H]([NH3+])c1ccc(C)s1	131646905	573913864	/nfs/dbraw/zinc/91/38/64/573913864.db2.gz	UXZHNTDVUGDATJ-JTQLQIEISA-N	1	0	195.331	3.413	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1[C@H](C)CCC	308462577	573914611	/nfs/dbraw/zinc/91/46/11/573914611.db2.gz	HZPLOKSAKLHDNQ-VXGBXAGGSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C[C@H]1CCCC[N@H+]1[C@H](C)CCC	308462557	573914742	/nfs/dbraw/zinc/91/47/42/573914742.db2.gz	HZPLOKSAKLHDNQ-NEPJUHHUSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C[C@@H]1CCCC[N@H+]1[C@@H](C)CCC	308462563	573915127	/nfs/dbraw/zinc/91/51/27/573915127.db2.gz	HZPLOKSAKLHDNQ-NWDGAFQWSA-N	1	0	181.323	3.216	10	30		AGEERO
C=C(CC)C[C@@H]([NH3+])c1ccc(C)s1	131647108	573915330	/nfs/dbraw/zinc/91/53/30/573915330.db2.gz	UXZHNTDVUGDATJ-SNVBAGLBSA-N	1	0	195.331	3.413	10	30		AGEERO
C=CC[C@@H](C)[NH2+][C@H]1C=CCCCCC1	308464337	573926889	/nfs/dbraw/zinc/92/68/89/573926889.db2.gz	VJJGNSAIIAJUOF-OLZOCXBDSA-N	1	0	193.334	3.430	10	30		AGEERO
CCCCCC/C=C\CC[NH2+]C	211599168	573934581	/nfs/dbraw/zinc/93/45/81/573934581.db2.gz	BLXGCUUCWIYPFY-HJWRWDBZSA-N	1	0	169.312	3.123	10	30		AGEERO
C#CCC[C@@H]([NH2+]C)C(CCC)CCC	127771624	573937991	/nfs/dbraw/zinc/93/79/91/573937991.db2.gz	ZWBKTXPDSRQBGA-CYBMUJFWSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@H]([NH2+]CCC)[C@H](C)C(C)C	127767508	573937796	/nfs/dbraw/zinc/93/77/96/573937796.db2.gz	XAPKBDFJEAMGGY-OLZOCXBDSA-N	1	0	195.350	3.060	10	30		AGEERO
C#CCC[C@H](CCCCCC)[NH2+]CC	127780092	573941524	/nfs/dbraw/zinc/94/15/24/573941524.db2.gz	WHUHWYBNMPWYIT-CYBMUJFWSA-N	1	0	195.350	3.348	10	30		AGEERO
C=C(C)C[N@H+](C1CC1)[C@@H](C)CCC	308469179	573941611	/nfs/dbraw/zinc/94/16/11/573941611.db2.gz	JYYKHCBLJKGWDG-NSHDSACASA-N	1	0	181.323	3.216	10	30		AGEERO
C=CC[N@H+](CC)CCC(C)(C)CC	308468915	573941632	/nfs/dbraw/zinc/94/16/32/573941632.db2.gz	JVQAFOXLPYKXHL-UHFFFAOYSA-N	1	0	183.339	3.321	10	30		AGEERO
C=CC[C@@H](CC)[NH2+]CC[C@H](C)CC	394415874	573955931	/nfs/dbraw/zinc/95/59/31/573955931.db2.gz	ZGONPJVXKKCUCD-VXGBXAGGSA-N	1	0	183.339	3.367	10	30		AGEERO
CCCCC#C[C@@H]([NH3+])C1CCCCC1	238216132	573963310	/nfs/dbraw/zinc/96/33/10/573963310.db2.gz	HRDQIDVPQISABF-CYBMUJFWSA-N	1	0	193.334	3.088	10	30		AGEERO
C=CCC(C)(C)[C@@H]([NH3+])CCCC	238216191	573963479	/nfs/dbraw/zinc/96/34/79/573963479.db2.gz	GEMGQZQCEYGRLC-JTQLQIEISA-N	1	0	169.312	3.106	10	30		AGEERO
C=C1CCC[C@@H]2[NH2+][C@H](CCC)CC[C@@H]12	238216768	573963492	/nfs/dbraw/zinc/96/34/92/573963492.db2.gz	HKQGXMNYEYQBTM-AGIUHOORSA-N	1	0	193.334	3.263	10	30		AGEERO
C#CCC[C@@H](C[C@@H](C)CC)[NH2+]CCC	127892189	573963642	/nfs/dbraw/zinc/96/36/42/573963642.db2.gz	GZFQXCSMDBXNDJ-STQMWFEESA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@H](C[C@@H](C)CC)[NH2+]CCC	127892406	573963821	/nfs/dbraw/zinc/96/38/21/573963821.db2.gz	GZFQXCSMDBXNDJ-QWHCGFSZSA-N	1	0	195.350	3.204	10	30		AGEERO
C#CCC[C@@H](CCCCC)[NH2+]CCC	127897393	573965661	/nfs/dbraw/zinc/96/56/61/573965661.db2.gz	HFAMQRGEWIUVHT-ZDUSSCGKSA-N	1	0	195.350	3.348	10	30		AGEERO
CC[C@H](CC#N)[N@H+](CC(C)C)C(C)C	42582768	573984098	/nfs/dbraw/zinc/98/40/98/573984098.db2.gz	IAPFGFBNFRNQDL-GFCCVEGCSA-N	1	0	196.338	3.045	10	30		AGEERO
CC[C@H](CC#N)[N@H+](C)[C@@H](C)CC(C)C	42582526	573984580	/nfs/dbraw/zinc/98/45/80/573984580.db2.gz	JZIOQEMQHMDGJY-NWDGAFQWSA-N	1	0	196.338	3.045	10	30		AGEERO
C#CCC[C@@H](C[C@@H](C)C(C)(C)C)[NH2+]C	127936472	573995793	/nfs/dbraw/zinc/99/57/93/573995793.db2.gz	GNFZZFAMTLDYKO-NEPJUHHUSA-N	1	0	195.350	3.060	10	30		AGEERO
C=CC[C@@H]([NH3+])c1cc(Cl)ccc1C	104484004	574001087	/nfs/dbraw/zinc/00/10/87/574001087.db2.gz	UZIGMZCNGXZHNB-LLVKDONJSA-N	1	0	195.693	3.224	10	30		AGEERO
CCCCCCC[C@@H]1CC[C@H]([NH3+])C1	112582504	574039507	/nfs/dbraw/zinc/03/95/07/574039507.db2.gz	NMVFDTUPDGUERL-NEPJUHHUSA-N	1	0	183.339	3.474	10	30		AGEERO
CCCCCCCC[C@@H]1CCC[NH2+]1	3732264	517554402	/nfs/dbraw/zinc/55/44/02/517554402.db2.gz	UOWQMLWCCWFHGB-GFCCVEGCSA-N	1	0	183.339	3.489	10	30		AGEERO
CCCCCC[N@H+](CCC#N)C(C)C	42530764	517553322	/nfs/dbraw/zinc/55/33/22/517553322.db2.gz	LUOAWJKNBWUYNK-UHFFFAOYSA-N	1	0	196.338	3.191	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@@H](C)[C@H]1CC	388577932	538433208	/nfs/dbraw/zinc/43/32/08/538433208.db2.gz	COINJTPPINGFHL-VXGBXAGGSA-N	1	0	181.323	3.073	10	30		AGEERO
C=C(C)CC[N@H+](CC1CC1)C(C)C	388722605	538436638	/nfs/dbraw/zinc/43/66/38/538436638.db2.gz	SQKSOKORIHIPKI-UHFFFAOYSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[NH2+][C@H]1CCC[C@H]1CCF	389348457	538440971	/nfs/dbraw/zinc/44/09/71/538440971.db2.gz	NBQBNBMTPAAVAY-RYUDHWBXSA-N	1	0	199.313	3.071	10	30		AGEERO
CCCCCCC[N@H+](CC)CCC#N	88239363	629822182	/nfs/dbraw/zinc/82/21/82/629822182.db2.gz	CTPXUIKZGNKZMQ-UHFFFAOYSA-N	1	0	196.338	3.192	10	30		AGEERO
C=CCC[C@H](CC)[NH2+]C1CC=CC1	394314989	629983441	/nfs/dbraw/zinc/98/34/41/629983441.db2.gz	AAOSTHTWCMPFEL-NSHDSACASA-N	1	0	179.307	3.039	10	30		AGEERO
C=CC[N@@H+](C[C@H](C)CCC)C(C)C	308172333	629992655	/nfs/dbraw/zinc/99/26/55/629992655.db2.gz	BSROWCPHHJGLAF-GFCCVEGCSA-N	1	0	183.339	3.319	10	30		AGEERO
CCCCCCC[N@H+](C)C1CCC1	308169831	629994100	/nfs/dbraw/zinc/99/41/00/629994100.db2.gz	AYHYXARYWHJULF-UHFFFAOYSA-N	1	0	183.339	3.441	10	30		AGEERO
CCCCCCC[N@@H+]1CC[C@@H]1CC	308247678	630003229	/nfs/dbraw/zinc/00/32/29/630003229.db2.gz	XZYWBENTCWFMNM-LBPRGKRZSA-N	1	0	183.339	3.441	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@H](C)C1(C)CC1	308332887	630010452	/nfs/dbraw/zinc/01/04/52/630010452.db2.gz	LTHWAJGCIFCKNU-WDEREUQCSA-N	1	0	181.323	3.119	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H](C)C1(C)CC1	308332885	630010521	/nfs/dbraw/zinc/01/05/21/630010521.db2.gz	LTHWAJGCIFCKNU-QWRGUYRKSA-N	1	0	181.323	3.119	10	30		AGEERO
CCCCCCC[N@H+]1CC=CCC1	308449305	630011920	/nfs/dbraw/zinc/01/19/20/630011920.db2.gz	CPCZPBAWIILYAD-UHFFFAOYSA-N	1	0	181.323	3.219	10	30		AGEERO
C#CCCCC[NH2+][C@@H](CC)C(C)(C)C	308609883	630017911	/nfs/dbraw/zinc/01/79/11/630017911.db2.gz	QIPPOILNUJYNMT-LBPRGKRZSA-N	1	0	195.350	3.204	10	30		AGEERO
CCCC[C@H](CC)CC[NH2+]CCC#N	308745422	630021390	/nfs/dbraw/zinc/02/13/90/630021390.db2.gz	RAPBMSBNOKHSPE-LBPRGKRZSA-N	1	0	196.338	3.096	10	30		AGEERO
C=C[C@H](C)[NH2+][C@@H](C)CCCCC	157217125	630194470	/nfs/dbraw/zinc/19/44/70/630194470.db2.gz	CIOFYHXIWNUYSH-QWRGUYRKSA-N	1	0	169.312	3.119	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@@H](C)CCCCC	157217435	630195797	/nfs/dbraw/zinc/19/57/97/630195797.db2.gz	CIOFYHXIWNUYSH-MNOVXSKESA-N	1	0	169.312	3.119	10	30		AGEERO
C=CCC[C@@H](C)[NH2+]C[C@@]12CCC[C@@H]1C2	927120470	630508303	/nfs/dbraw/zinc/50/83/03/630508303.db2.gz	FLXRVBMHTRNKOC-UPJWGTAASA-N	1	0	193.334	3.121	10	30		AGEERO
C=CCCCCC[NH2+]Cc1ccoc1	232579914	630749294	/nfs/dbraw/zinc/74/92/94/630749294.db2.gz	CRVDKRIYSZOFFM-UHFFFAOYSA-N	1	0	193.290	3.116	10	30		AGEERO
C=C[C@@H](C)[NH2+][C@H](C)CCCCC	157217288	630846915	/nfs/dbraw/zinc/84/69/15/630846915.db2.gz	CIOFYHXIWNUYSH-GHMZBOCLSA-N	1	0	169.312	3.119	10	30		AGEERO
C=C[C@H](C)[NH2+][C@H](C)CCCCC	157216955	630846987	/nfs/dbraw/zinc/84/69/87/630846987.db2.gz	CIOFYHXIWNUYSH-WDEREUQCSA-N	1	0	169.312	3.119	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@H]1CC[C@H]1C(C)C	824789458	630941936	/nfs/dbraw/zinc/94/19/36/630941936.db2.gz	BOWJVBXMAYQMJO-RYUDHWBXSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@@H]1CC[C@@H]1C(C)C	824789460	630941983	/nfs/dbraw/zinc/94/19/83/630941983.db2.gz	BOWJVBXMAYQMJO-VXGBXAGGSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@@H]1CC[C@H]1C(C)C	824789457	630942618	/nfs/dbraw/zinc/94/26/18/630942618.db2.gz	BOWJVBXMAYQMJO-NWDGAFQWSA-N	1	0	195.350	3.223	10	30		AGEERO
C=CC(C)(C)C[NH2+][C@H]1CC[C@@H]1C(C)C	824789450	630942788	/nfs/dbraw/zinc/94/27/88/630942788.db2.gz	BOWJVBXMAYQMJO-NEPJUHHUSA-N	1	0	195.350	3.223	10	30		AGEERO
C=C/C=C\CC[N@H+]1CC[C@H](CC=C)C1	879032286	631011104	/nfs/dbraw/zinc/01/11/04/631011104.db2.gz	QQCKGMRRZZJENJ-SZZPACECSA-N	1	0	191.318	3.017	10	30		AGEERO
C=C/C=C/CC[N@H+]1CC[C@H](CC=C)C1	879032285	631011286	/nfs/dbraw/zinc/01/12/86/631011286.db2.gz	QQCKGMRRZZJENJ-GFUIURDCSA-N	1	0	191.318	3.017	10	30		AGEERO
C=C/C=C/CC[N@H+]1CC[C@@H](CC=C)C1	879032287	631011412	/nfs/dbraw/zinc/01/14/12/631011412.db2.gz	QQCKGMRRZZJENJ-URWSZGRFSA-N	1	0	191.318	3.017	10	30		AGEERO
C=C/C=C\CC[N@H+]1CC[C@@H](CC=C)C1	879032284	631011573	/nfs/dbraw/zinc/01/15/73/631011573.db2.gz	QQCKGMRRZZJENJ-CFHLNLSMSA-N	1	0	191.318	3.017	10	30		AGEERO
C=C(Cl)C[NH2+]C1(CCCC)CC1	934203414	631144679	/nfs/dbraw/zinc/14/46/79/631144679.db2.gz	JJCBCQCYFDEVSA-UHFFFAOYSA-N	1	0	187.714	3.051	10	30		AGEERO
C=CC[C@H](C)[NH2+]C1(CCCC)CC1	934199957	631145008	/nfs/dbraw/zinc/14/50/08/631145008.db2.gz	DBYMWYGWRMSJJA-NSHDSACASA-N	1	0	181.323	3.263	10	30		AGEERO
C=C(C)CC[NH2+]C1(CCCC)CC1	934202337	631145025	/nfs/dbraw/zinc/14/50/25/631145025.db2.gz	IXFXCMKVIFYGGS-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CC[C@@H](C)[NH2+]C1(CCCC)CC1	934199955	631145195	/nfs/dbraw/zinc/14/51/95/631145195.db2.gz	DBYMWYGWRMSJJA-LLVKDONJSA-N	1	0	181.323	3.263	10	30		AGEERO
C=CCC[C@H](C)[NH2+][C@@H]1CC=CC[C@H]1C	934620900	631147427	/nfs/dbraw/zinc/14/74/27/631147427.db2.gz	KVVCDDLKTRJGSP-FRRDWIJNSA-N	1	0	193.334	3.285	10	30		AGEERO
C=CCC[C@@H](C)[NH2+][C@@H]1CC=CC[C@H]1C	934620901	631148181	/nfs/dbraw/zinc/14/81/81/631148181.db2.gz	KVVCDDLKTRJGSP-JHJVBQTASA-N	1	0	193.334	3.285	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@H](C)C1CC1	934647622	631148686	/nfs/dbraw/zinc/14/86/86/631148686.db2.gz	QAOLHEQRXCCXKK-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@@H+](CC)C/C=C/Cl	934645076	631148886	/nfs/dbraw/zinc/14/88/86/631148886.db2.gz	AVHDAZWNCVYLIV-BQYQJAHWSA-N	1	0	187.714	3.027	10	30		AGEERO
C=CCCC[N@@H+](CC)[C@@H](C)C1CC1	934647623	631149442	/nfs/dbraw/zinc/14/94/42/631149442.db2.gz	QAOLHEQRXCCXKK-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@H+](CC)CCCCF	934645575	631149549	/nfs/dbraw/zinc/14/95/49/631149549.db2.gz	UJEIDIHHDVGYRZ-UHFFFAOYSA-N	1	0	187.302	3.024	10	30		AGEERO
C=CCCC[N@@H+](CC)C/C=C\Cl	934645077	631149699	/nfs/dbraw/zinc/14/96/99/631149699.db2.gz	AVHDAZWNCVYLIV-FPLPWBNLSA-N	1	0	187.714	3.027	10	30		AGEERO
C#CCCC[N@H+]1CCCCC[C@H]1CC	159060699	631154046	/nfs/dbraw/zinc/15/40/46/631154046.db2.gz	KFHOLPMPCKZVAQ-CYBMUJFWSA-N	1	0	193.334	3.054	10	30		AGEERO
C#CCCC[N@H+]1CCCCC[C@@H]1CC	159060833	631154320	/nfs/dbraw/zinc/15/43/20/631154320.db2.gz	KFHOLPMPCKZVAQ-ZDUSSCGKSA-N	1	0	193.334	3.054	10	30		AGEERO
C=CC[NH2+][C@@H](CCC)CCCC	219287398	1224219398	/nfs/dbraw/zinc/21/93/98/1224219398.db2.gz	NGGOEZYVRATTAS-NSHDSACASA-N	1	0	169.312	3.121	10	30		AGEERO
C=CC[NH2+][C@H](CCC)CCCC	219287434	1224220300	/nfs/dbraw/zinc/22/03/00/1224220300.db2.gz	NGGOEZYVRATTAS-LLVKDONJSA-N	1	0	169.312	3.121	10	30		AGEERO
C=CCC[C@H](C)[N@@H+](CC)CCCC	308355835	1224299044	/nfs/dbraw/zinc/29/90/44/1224299044.db2.gz	KQIATCMMQDHWFL-LBPRGKRZSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCC[C@@H](C)[N@@H+](CC)CCCC	308355834	1224299614	/nfs/dbraw/zinc/29/96/14/1224299614.db2.gz	KQIATCMMQDHWFL-GFCCVEGCSA-N	1	0	183.339	3.463	10	30		AGEERO
C=CCCC[N@H+]1CC[C@@H](C)C[C@@H]1C	379386032	1224310516	/nfs/dbraw/zinc/31/05/16/1224310516.db2.gz	WEHKDNGGKPJWDT-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@H+]1CC[C@H](C)C[C@@H]1C	379386034	1224310840	/nfs/dbraw/zinc/31/08/40/1224310840.db2.gz	WEHKDNGGKPJWDT-RYUDHWBXSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCCC[N@H+]1CC[C@H](C)C[C@H]1C	379386033	1224310891	/nfs/dbraw/zinc/31/08/91/1224310891.db2.gz	WEHKDNGGKPJWDT-NWDGAFQWSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CCC[C@H](C)[NH+]1CCCCCC1	388885701	1224328516	/nfs/dbraw/zinc/32/85/16/1224328516.db2.gz	JVFZVANIVJOQCD-LBPRGKRZSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CCC[C@@H](C)[NH+]1CCCCCC1	388885700	1224329188	/nfs/dbraw/zinc/32/91/88/1224329188.db2.gz	JVFZVANIVJOQCD-GFCCVEGCSA-N	1	0	181.323	3.217	10	30		AGEERO
C=CC[NH2+][C@@H](C)C[C@H](C)CC(C)C	388921660	1224329788	/nfs/dbraw/zinc/32/97/88/1224329788.db2.gz	RUXLCXFGMAQBMA-NEPJUHHUSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[NH2+][C@H](C)C[C@@H](C)CC(C)C	388921661	1224330049	/nfs/dbraw/zinc/33/00/49/1224330049.db2.gz	RUXLCXFGMAQBMA-NWDGAFQWSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[NH2+][C@@H](C)C[C@@H](C)CC(C)C	388921666	1224330156	/nfs/dbraw/zinc/33/01/56/1224330156.db2.gz	RUXLCXFGMAQBMA-RYUDHWBXSA-N	1	0	183.339	3.223	10	30		AGEERO
C=CC[NH2+][C@H](C)C[C@H](C)CC(C)C	388921668	1224330247	/nfs/dbraw/zinc/33/02/47/1224330247.db2.gz	RUXLCXFGMAQBMA-VXGBXAGGSA-N	1	0	183.339	3.223	10	30		AGEERO
CCCCCCC[NH2+][C@H]1C[C@@H]2C[C@@H]2C1	397730951	1224337441	/nfs/dbraw/zinc/33/74/41/1224337441.db2.gz	DCBHLDHREQQQBW-CLLJXQQHSA-N	1	0	195.350	3.345	10	30		AGEERO
C=C(CC)C[NH2+][C@H](CC)[C@H]1CC1(C)C	397752633	1224337522	/nfs/dbraw/zinc/33/75/22/1224337522.db2.gz	JLZCRVJLJIIKLO-VXGBXAGGSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@@H](CC)[C@H]1CC1(C)C	397752629	1224337645	/nfs/dbraw/zinc/33/76/45/1224337645.db2.gz	JLZCRVJLJIIKLO-NEPJUHHUSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@@H](CC)[C@@H]1CC1(C)C	397752632	1224337706	/nfs/dbraw/zinc/33/77/06/1224337706.db2.gz	JLZCRVJLJIIKLO-RYUDHWBXSA-N	1	0	195.350	3.367	10	30		AGEERO
C=C(CC)C[NH2+][C@H](CC)[C@@H]1CC1(C)C	397752631	1224337824	/nfs/dbraw/zinc/33/78/24/1224337824.db2.gz	JLZCRVJLJIIKLO-NWDGAFQWSA-N	1	0	195.350	3.367	10	30		AGEERO
C=CC[C@H](C)[NH+]1CCC(C)(C)CC1	1559516875	1224487402	/nfs/dbraw/zinc/48/74/02/1224487402.db2.gz	FFAJVARUDHLAQX-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@H](C)[N@H+](C)CC1CCCC1	1559502493	1224487144	/nfs/dbraw/zinc/48/71/44/1224487144.db2.gz	KZTVVIKSPQTWLL-NSHDSACASA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[NH+]1CCC(C)(C)CC1	1559516874	1224487873	/nfs/dbraw/zinc/48/78/73/1224487873.db2.gz	FFAJVARUDHLAQX-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[C@@H](C)[N@H+](C)CC1CCCC1	1559502485	1224488030	/nfs/dbraw/zinc/48/80/30/1224488030.db2.gz	KZTVVIKSPQTWLL-LLVKDONJSA-N	1	0	181.323	3.073	10	30		AGEERO
C#CCCCCCC[N@@H+](CC)C(C)C	1559492401	1224488041	/nfs/dbraw/zinc/48/80/41/1224488041.db2.gz	OJCYBPWWENAMKX-UHFFFAOYSA-N	1	0	195.350	3.300	10	30		AGEERO
C=C(C)CC[N@H+]1CC[C@@H](C)[C@@H]1CC	388577928	538433346	/nfs/dbraw/zinc/43/33/46/538433346.db2.gz	COINJTPPINGFHL-NEPJUHHUSA-N	1	0	181.323	3.073	10	30		AGEERO
C=CC[N@@H+](CCCC1CCC1)C(C)C	1615303772	1224501292	/nfs/dbraw/zinc/50/12/92/1224501292.db2.gz	WUNKHMQTIIIZSS-UHFFFAOYSA-N	1	0	195.350	3.463	10	30		AGEERO
C=CCCCC[C@H](C)[NH2+]C[C@@H]1C[C@@H]1C	389276239	538440276	/nfs/dbraw/zinc/44/02/76/538440276.db2.gz	PABJCAHJZUBTPW-AVGNSLFASA-N	1	0	195.350	3.367	10	30		AGEERO
C=CCCCC[N@@H+]1CCCC[C@H]1C=C	1645463636	1224514199	/nfs/dbraw/zinc/51/41/99/1224514199.db2.gz	MRFYGAXXJJHDCO-CYBMUJFWSA-N	1	0	193.334	3.383	10	30		AGEERO
C=C(CC)C[N@H+]1CCC[C@H](CC)CC1	1644594410	1224512660	/nfs/dbraw/zinc/51/26/60/1224512660.db2.gz	HDZGWBZVNXXGIW-ZDUSSCGKSA-N	1	0	195.350	3.465	10	30		AGEERO
C=C(CC)C[N@H+]1CCC[C@@H](CC)CC1	1644594409	1224512704	/nfs/dbraw/zinc/51/27/04/1224512704.db2.gz	HDZGWBZVNXXGIW-CYBMUJFWSA-N	1	0	195.350	3.465	10	30		AGEERO
C=CC[C@@H](C)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1	1644556706	1224512727	/nfs/dbraw/zinc/51/27/27/1224512727.db2.gz	ATSBUEWCZBOAEW-JHJVBQTASA-N	1	0	195.350	3.319	10	30		AGEERO
CCC#C[C@H](C)[N@H+](CCC)CC(C)C	1644456335	1224512899	/nfs/dbraw/zinc/51/28/99/1224512899.db2.gz	IOTSKBYGXBUFGA-ZDUSSCGKSA-N	1	0	195.350	3.156	10	30		AGEERO
C=CC[C@H](C)[N@@H+]1CC[C@@H](C)C[C@@H](C)C1	1644556707	1224513305	/nfs/dbraw/zinc/51/33/05/1224513305.db2.gz	ATSBUEWCZBOAEW-UPJWGTAASA-N	1	0	195.350	3.319	10	30		AGEERO
CCC#C[C@@H](C)[N@H+](CCC)CC(C)C	1644456333	1224513349	/nfs/dbraw/zinc/51/33/49/1224513349.db2.gz	IOTSKBYGXBUFGA-CYBMUJFWSA-N	1	0	195.350	3.156	10	30		AGEERO
C#C[C@@H](C)[N@@H+](C)CCCCCCCC	1645452957	1224513614	/nfs/dbraw/zinc/51/36/14/1224513614.db2.gz	AZOKAVOLXVIACI-CYBMUJFWSA-N	1	0	195.350	3.300	10	30		AGEERO
C=CCCCC[N@@H+]1CCCC[C@@H]1C=C	1645463637	1224513874	/nfs/dbraw/zinc/51/38/74/1224513874.db2.gz	MRFYGAXXJJHDCO-ZDUSSCGKSA-N	1	0	193.334	3.383	10	30		AGEERO
C=CC[C@H]1[N@H+](CCC)CCCC1(C)C	1645454066	1224513908	/nfs/dbraw/zinc/51/39/08/1224513908.db2.gz	ZCFAUMURRPAPKS-GFCCVEGCSA-N	1	0	195.350	3.463	10	30		AGEERO
C#C[C@H](C)[N@@H+](C)CCCCCCCC	1645452958	1224514132	/nfs/dbraw/zinc/51/41/32/1224514132.db2.gz	AZOKAVOLXVIACI-ZDUSSCGKSA-N	1	0	195.350	3.300	10	30		AGEERO
C=CC[C@@H]1[N@H+](CCC)CCCC1(C)C	1645454067	1224514189	/nfs/dbraw/zinc/51/41/89/1224514189.db2.gz	ZCFAUMURRPAPKS-LBPRGKRZSA-N	1	0	195.350	3.463	10	30		AGEERO
C#CC[N@@H+](CCCCCC=C)C(C)C	1655667555	1224514971	/nfs/dbraw/zinc/51/49/71/1224514971.db2.gz	REQKYWMQVRSDML-UHFFFAOYSA-N	1	0	193.334	3.076	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1C[C@H](C)C(C)(C)C	1655818582	1224515694	/nfs/dbraw/zinc/51/56/94/1224515694.db2.gz	FNGOYCVDMSSAMX-RYUDHWBXSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCCC[NH2+]C1(CCCC)CC1	1655834952	1224515811	/nfs/dbraw/zinc/51/58/11/1224515811.db2.gz	RIRKZWDUAPXYFV-UHFFFAOYSA-N	1	0	181.323	3.265	10	30		AGEERO
C=CCC[C@@H]1CCC[N@@H+]1CCC1CC1	1655794498	1224515818	/nfs/dbraw/zinc/51/58/18/1224515818.db2.gz	NSVGGWCGHHPRGH-CYBMUJFWSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1C[C@H](C)C(C)(C)C	1655818581	1224515834	/nfs/dbraw/zinc/51/58/34/1224515834.db2.gz	FNGOYCVDMSSAMX-NWDGAFQWSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CCC[C@H]1CCC[N@@H+]1CCC1CC1	1655794499	1224516116	/nfs/dbraw/zinc/51/61/16/1224516116.db2.gz	NSVGGWCGHHPRGH-ZDUSSCGKSA-N	1	0	193.334	3.217	10	30		AGEERO
C=CC[C@@H]1CC[N@H+]1C[C@@H](C)C(C)(C)C	1655818583	1224516221	/nfs/dbraw/zinc/51/62/21/1224516221.db2.gz	FNGOYCVDMSSAMX-VXGBXAGGSA-N	1	0	195.350	3.319	10	30		AGEERO
C=CC[C@H]1CC[N@H+]1C[C@@H](C)C(C)(C)C	1655818580	1224516380	/nfs/dbraw/zinc/51/63/80/1224516380.db2.gz	FNGOYCVDMSSAMX-NEPJUHHUSA-N	1	0	195.350	3.319	10	30		AGEERO