smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cccnc1N1CCC[N@@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1	ZINC000058160936	205165855	/nfs/dbraw/zinc/16/58/55/205165855.db2.gz	AEKKPNGUTRYRCG-HXUWFJFHSA-N	1	1	375.476	2.485	50	30		GEEAMO
N#Cc1cccnc1N1CCC[N@H+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1	ZINC000058160936	205165859	/nfs/dbraw/zinc/16/58/59/205165859.db2.gz	AEKKPNGUTRYRCG-HXUWFJFHSA-N	1	1	375.476	2.485	50	30		GEEAMO
C=CCNC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1	ZINC000011998647	518903462	/nfs/dbraw/zinc/90/34/62/518903462.db2.gz	MLGSDUDNPSFINE-FQEVSTJZSA-N	1	1	398.551	2.417	50	30		GEEAMO
C=CCn1cc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)cn1	ZINC000095508428	519278306	/nfs/dbraw/zinc/27/83/06/519278306.db2.gz	WNRXVPPOABPCKM-UHFFFAOYSA-N	1	1	380.496	2.078	50	30		GEEAMO
COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@H](C(=O)OC)[C@@H]1c1ccc(C#N)cc1	ZINC000012402737	570661307	/nfs/dbraw/zinc/66/13/07/570661307.db2.gz	JHENVWNARQZEPC-UXHICEINSA-N	1	1	396.443	2.150	50	30		GEEAMO
C=C(C)Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccc(C)cc2)n(C)c1=O	ZINC000010335958	570978569	/nfs/dbraw/zinc/97/85/69/570978569.db2.gz	DHQOCAKYUJOTJX-UHFFFAOYSA-N	1	1	392.463	2.177	50	30		GEEAMO
C[NH+]1CCN(CC2(CNC(=O)c3ccc(-c4cccc(C#N)n4)cc3)CC2)CC1	ZINC000426661175	530071825	/nfs/dbraw/zinc/07/18/25/530071825.db2.gz	DGCMYUYEBABOKH-UHFFFAOYSA-N	1	1	389.503	2.378	50	30		GEEAMO
C=CCN1C(=O)NC(=O)C(=C(CC)NC2CC[NH+](Cc3ccccc3)CC2)C1=O	ZINC000020290668	518838518	/nfs/dbraw/zinc/83/85/18/518838518.db2.gz	UBSXBSPTCPSYBH-VHEBQXMUSA-N	1	1	396.491	2.169	50	30		GEEAMO
C=CCN1CC[C@]2(CN(Cc3nc4ccccc4n3C)CC[N@H+]2C)CCC1=O	ZINC000092022040	518869443	/nfs/dbraw/zinc/86/94/43/518869443.db2.gz	WBEVCKXWICWAAA-QFIPXVFZSA-N	1	1	381.524	2.258	50	30		GEEAMO
CCOc1cc(C[N@@H+](C)CCC(=O)N(CC#N)CC#N)ccc1OC(F)F	ZINC000058137494	520694933	/nfs/dbraw/zinc/69/49/33/520694933.db2.gz	ILLVFHDDADLBSD-UHFFFAOYSA-N	1	1	380.395	2.384	50	30		GEEAMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1	ZINC000048273778	570226020	/nfs/dbraw/zinc/22/60/20/570226020.db2.gz	CJOTUDOYASBCSS-MRXNPFEDSA-N	1	1	396.532	2.356	50	30		GEEAMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1	ZINC000048273778	570226025	/nfs/dbraw/zinc/22/60/25/570226025.db2.gz	CJOTUDOYASBCSS-MRXNPFEDSA-N	1	1	396.532	2.356	50	30		GEEAMO
COC[C@@H](C)[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000072308096	570525799	/nfs/dbraw/zinc/52/57/99/570525799.db2.gz	GQAFRJMSSXLLIF-IAGOWNOFSA-N	1	1	376.476	2.113	50	30		GEEAMO
COc1ccc2c(c1)OC[C@]1(CO)C[N@H+](Cc3cc(C#CCO)cs3)C[C@H]21	ZINC000095529711	570996565	/nfs/dbraw/zinc/99/65/65/570996565.db2.gz	YTZKTNRQQONPOH-TZIWHRDSSA-N	1	1	385.485	2.071	50	30		GEEAMO
Cc1c(C)n(-c2ccccc2)c(NC(=O)C[NH+]2CCC(C(N)=O)CC2)c1C#N	ZINC000029121322	206053682	/nfs/dbraw/zinc/05/36/82/206053682.db2.gz	RLCGPJKAZLPGOC-UHFFFAOYSA-N	1	1	379.464	2.102	50	30		GEEAMO
C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1	ZINC000019839339	518599289	/nfs/dbraw/zinc/59/92/89/518599289.db2.gz	QCPHFZJUNQTENZ-HXUWFJFHSA-N	1	1	391.556	2.080	50	30		GEEAMO
C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OC[C@H](O)CN2CCN(C)CC2)c1	ZINC000019839339	518599298	/nfs/dbraw/zinc/59/92/98/518599298.db2.gz	QCPHFZJUNQTENZ-HXUWFJFHSA-N	1	1	391.556	2.080	50	30		GEEAMO
C=C(C)C[NH+]1CCN(C(=O)Nc2sc3c(c2C(N)=O)CC(C)(C)OC3)CC1	ZINC000061969177	570551288	/nfs/dbraw/zinc/55/12/88/570551288.db2.gz	XCRCZACAWIVFBE-UHFFFAOYSA-N	1	1	392.525	2.424	50	30		GEEAMO
N#Cc1ccc(C[N@@H+]2CCCN(CC(=O)Nc3ccc4c(c3)OCO4)CC2)cc1	ZINC000039930138	205043777	/nfs/dbraw/zinc/04/37/77/205043777.db2.gz	TUKQTHNAIZZPQF-UHFFFAOYSA-N	1	1	392.459	2.433	50	30		GEEAMO
C=CCN1CC[C@@]2(CN(Cc3nc4ccccc4n3C)CC[N@H+]2C)CCC1=O	ZINC000107420798	570233741	/nfs/dbraw/zinc/23/37/41/570233741.db2.gz	WBEVCKXWICWAAA-JOCHJYFZSA-N	1	1	381.524	2.258	50	30		GEEAMO
COC[C@H](C)[NH+]1CCN([C@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000072308095	570302674	/nfs/dbraw/zinc/30/26/74/570302674.db2.gz	GQAFRJMSSXLLIF-DLBZAZTESA-N	1	1	376.476	2.113	50	30		GEEAMO
COc1ccc(C(=[NH2+])NOC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1OC	ZINC000004914027	570417564	/nfs/dbraw/zinc/41/75/64/570417564.db2.gz	XSLCFCVEMXZLKV-UHFFFAOYSA-N	1	1	375.337	2.098	50	30		GEEAMO
N#Cc1cc2n(n1)CCCN(C(=O)N[C@@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)C2	ZINC000584897263	570892860	/nfs/dbraw/zinc/89/28/60/570892860.db2.gz	CRWKNYVYKQJROI-GOSISDBHSA-N	1	1	396.470	2.474	50	30		GEEAMO
N#Cc1cc2n(n1)CCCN(C(=O)N[C@@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)C2	ZINC000584897263	570892863	/nfs/dbraw/zinc/89/28/63/570892863.db2.gz	CRWKNYVYKQJROI-GOSISDBHSA-N	1	1	396.470	2.474	50	30		GEEAMO
C(=NN=C1C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccc2c(c1)OCO2	ZINC000252597526	571004225	/nfs/dbraw/zinc/00/42/25/571004225.db2.gz	CSAQFGCXKLUFOA-UHFFFAOYSA-N	1	1	388.471	2.389	50	30		GEEAMO
CC[NH+](CC)c1ccc(N2/C(=N/C(C)=O)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000005377129	204129546	/nfs/dbraw/zinc/12/95/46/204129546.db2.gz	WEKXTEOULOHBDB-BOUUCUSLSA-N	1	1	395.550	2.463	50	30		GEEAMO
Cc1cc(N2CCOCC2)nc(N2CC[NH+](Cc3ccccc3)CC2)c1C#N	ZINC000071281401	136165538	/nfs/dbraw/zinc/16/55/38/136165538.db2.gz	BUWXAFPMNPAIHV-UHFFFAOYSA-N	1	1	377.492	2.421	50	30		GEEAMO
C=CCOC[C@H](O)C[N@@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000036159915	518991460	/nfs/dbraw/zinc/99/14/60/518991460.db2.gz	IKSDRTVJABTWLQ-CYBMUJFWSA-N	1	1	377.510	2.249	50	30		GEEAMO
C=CCOC[C@H](O)C[N@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000036159915	518991464	/nfs/dbraw/zinc/99/14/64/518991464.db2.gz	IKSDRTVJABTWLQ-CYBMUJFWSA-N	1	1	377.510	2.249	50	30		GEEAMO
N#CCSc1nn2c(nc3c(c2=O)C[N@@H+](CCc2ccccc2)CC3)s1	ZINC000015414126	526480551	/nfs/dbraw/zinc/48/05/51/526480551.db2.gz	ITINBCHWUZQYBI-UHFFFAOYSA-N	1	1	383.502	2.367	50	30		GEEAMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+](Cc3ccc(F)cc3)C3CC3)CC2)o1	ZINC000031583203	570816480	/nfs/dbraw/zinc/81/64/80/570816480.db2.gz	PNXYOQLNLILVHL-UHFFFAOYSA-N	1	1	397.454	2.307	50	30		GEEAMO
Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](Cc3ccc(F)cc3)C3CC3)CC2)o1	ZINC000031583203	570816481	/nfs/dbraw/zinc/81/64/81/570816481.db2.gz	PNXYOQLNLILVHL-UHFFFAOYSA-N	1	1	397.454	2.307	50	30		GEEAMO
Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)N(CC[N@H+](C)C1CC1)C1CC1	ZINC000170606112	570863725	/nfs/dbraw/zinc/86/37/25/570863725.db2.gz	AUANJFVSQUOBBO-UHFFFAOYSA-N	1	1	380.496	2.236	50	30		GEEAMO
C=CCN1CC[C@]2(CN(CCOc3cccc(OC)c3)CC[N@H+]2C)CCC1=O	ZINC000091474436	570984225	/nfs/dbraw/zinc/98/42/25/570984225.db2.gz	FXELIXCFDASQIF-QFIPXVFZSA-N	1	1	387.524	2.259	50	30		GEEAMO
C=CCN1CC[C@]2(C[N@H+](CCOc3cccc(OC)c3)CCN2C)CCC1=O	ZINC000091474436	570984228	/nfs/dbraw/zinc/98/42/28/570984228.db2.gz	FXELIXCFDASQIF-QFIPXVFZSA-N	1	1	387.524	2.259	50	30		GEEAMO
C=CCN1CC[C@]2(C[N@@H+](CCOc3cccc(OC)c3)CCN2C)CCC1=O	ZINC000091474436	570984231	/nfs/dbraw/zinc/98/42/31/570984231.db2.gz	FXELIXCFDASQIF-QFIPXVFZSA-N	1	1	387.524	2.259	50	30		GEEAMO
C=CCn1cc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)c(C)n1	ZINC000095520244	570996173	/nfs/dbraw/zinc/99/61/73/570996173.db2.gz	MYYUCJCCGLJPER-UHFFFAOYSA-N	1	1	394.523	2.387	50	30		GEEAMO
N#Cc1ccccc1-c1ccc(C(=O)NCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1	ZINC000426640412	231248177	/nfs/dbraw/zinc/24/81/77/231248177.db2.gz	PFVYTBZDDJLPGQ-LJQANCHMSA-N	1	1	376.460	2.152	50	30		GEEAMO
CCCCc1nc(NCCn2ccc3[nH]c(=O)c(C#N)cc3c2=O)cc(C)[nH+]1	ZINC000067431656	205246941	/nfs/dbraw/zinc/24/69/41/205246941.db2.gz	IJOYAUBHXVCJBC-UHFFFAOYSA-N	1	1	378.436	2.115	50	30		GEEAMO
CCOc1ccccc1[C@@H](C#Cc1ccc(N)nc1)[NH+]1CCC(C(N)=O)CC1	ZINC000095531442	521570974	/nfs/dbraw/zinc/57/09/74/521570974.db2.gz	OAYRFRDLEATTIJ-LJQANCHMSA-N	1	1	378.476	2.353	50	30		GEEAMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nnc(CNC(=O)[C@H]4CCOC4)n3CC2)CC1	ZINC000011881678	570234249	/nfs/dbraw/zinc/23/42/49/570234249.db2.gz	VIDPYZJWXTZZGJ-MOPGFXCFSA-N	1	1	399.539	2.092	50	30		GEEAMO
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([N@@H+](CC)CCN(CC)CC)C2	ZINC000023354096	570300300	/nfs/dbraw/zinc/30/03/00/570300300.db2.gz	MKXFBMUDFMBSCC-QGZVFWFLSA-N	1	1	375.561	2.292	50	30		GEEAMO
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@@H]([N@H+](CC)CCN(CC)CC)C2	ZINC000023354096	570300301	/nfs/dbraw/zinc/30/03/01/570300301.db2.gz	MKXFBMUDFMBSCC-QGZVFWFLSA-N	1	1	375.561	2.292	50	30		GEEAMO
C[N@H+]1CCN(CCCNS(=O)(=O)c2ccc(C#N)cc2)[C@@H](c2ccccc2)C1	ZINC000026873888	570449616	/nfs/dbraw/zinc/44/96/16/570449616.db2.gz	BZOAQWFPODSEGH-OAQYLSRUSA-N	1	1	398.532	2.215	50	30		GEEAMO
C#CCOC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C	ZINC000036156981	570554193	/nfs/dbraw/zinc/55/41/93/570554193.db2.gz	WCDULTWVGUBPHO-CQSZACIVSA-N	1	1	389.521	2.085	50	30		GEEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C	ZINC000036156981	570554194	/nfs/dbraw/zinc/55/41/94/570554194.db2.gz	WCDULTWVGUBPHO-CQSZACIVSA-N	1	1	389.521	2.085	50	30		GEEAMO
Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)c3ccc(C#N)cc3)CC2)c1	ZINC000032825853	570839748	/nfs/dbraw/zinc/83/97/48/570839748.db2.gz	LANDTCDQJSOVCT-UHFFFAOYSA-N	1	1	398.532	2.357	50	30		GEEAMO
Cc1ccc(S(=O)(=O)N(C)CCCC(=O)ONC(=[NH2+])c2ccccc2)cc1	ZINC000005047647	204107231	/nfs/dbraw/zinc/10/72/31/204107231.db2.gz	DIGMSJVUFSRKRO-UHFFFAOYSA-N	1	1	389.477	2.259	50	30		GEEAMO
Cc1cccc(C[NH+]2CCN(C(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)CC2)c1	ZINC000012756224	204444316	/nfs/dbraw/zinc/44/43/16/204444316.db2.gz	QKWKOJDPMAOLIW-UHFFFAOYSA-N	1	1	392.503	2.449	50	30		GEEAMO
COC(=O)c1ccc(NC(=O)CC[N@H+]2CCc3c(cnc(C)c3C#N)C2)cc1	ZINC000065536433	205238343	/nfs/dbraw/zinc/23/83/43/205238343.db2.gz	DJCGAVPYOBXZNT-UHFFFAOYSA-N	1	1	378.432	2.435	50	30		GEEAMO
COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@H+](Cc1cc(C#N)n(C)c1)C2	ZINC000072163478	205314586	/nfs/dbraw/zinc/31/45/86/205314586.db2.gz	GNFMDBYEFAWDOI-SJBKTWHCSA-N	1	1	386.540	2.236	50	30		GEEAMO
COC[C@@]12CC[C@@H](N3CCOCC3)C[C@H]1CC[N@@H+](Cc1cc(C#N)n(C)c1)C2	ZINC000072163478	205314589	/nfs/dbraw/zinc/31/45/89/205314589.db2.gz	GNFMDBYEFAWDOI-SJBKTWHCSA-N	1	1	386.540	2.236	50	30		GEEAMO
Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)c3cccc(C#N)c3)CC2)c1	ZINC000032825855	206092931	/nfs/dbraw/zinc/09/29/31/206092931.db2.gz	OLIKCUPZCFOAFJ-UHFFFAOYSA-N	1	1	398.532	2.357	50	30		GEEAMO
C=CCN(Cc1ccccc1OC)C(=O)c1cnc(N2CC[NH+](C)CC2)nc1C	ZINC000055108851	518788049	/nfs/dbraw/zinc/78/80/49/518788049.db2.gz	UOWGAFSEVCARNS-UHFFFAOYSA-N	1	1	395.507	2.374	50	30		GEEAMO
N#CC1(NC(=O)C[NH+]2CCC(NC(=O)CCc3ccccc3)CC2)CCCC1	ZINC000047895038	570216900	/nfs/dbraw/zinc/21/69/00/570216900.db2.gz	LAOSGCCIUNYIKX-UHFFFAOYSA-N	1	1	382.508	2.152	50	30		GEEAMO
C=CCN1CC[C@]2(CN(C(=O)NCc3cccs3)CC[N@@H+]2C)CCC1=O	ZINC000091604117	570984211	/nfs/dbraw/zinc/98/42/11/570984211.db2.gz	KMYBKQAHTVZKBN-IBGZPJMESA-N	1	1	376.526	2.142	50	30		GEEAMO
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC#CC[N@@H+]1CCc2ccccc2C1	ZINC000077197643	205034395	/nfs/dbraw/zinc/03/43/95/205034395.db2.gz	YYRVRSQOXNTYDT-HTAPYJJXSA-N	1	1	376.456	2.393	50	30		GEEAMO
C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCC#CC[N@H+]1CCc2ccccc2C1	ZINC000077197643	205034398	/nfs/dbraw/zinc/03/43/98/205034398.db2.gz	YYRVRSQOXNTYDT-HTAPYJJXSA-N	1	1	376.456	2.393	50	30		GEEAMO
C[N@H+]1CCN(CCCNS(=O)(=O)c2ccc(C#N)cc2)[C@H](c2ccccc2)C1	ZINC000046813062	205107966	/nfs/dbraw/zinc/10/79/66/205107966.db2.gz	BZOAQWFPODSEGH-NRFANRHFSA-N	1	1	398.532	2.215	50	30		GEEAMO
COc1ccc(-n2c(C)c(C)c(C#N)c2NC(=O)CN2CC[NH+](C)CC2)cc1	ZINC000022924051	570574592	/nfs/dbraw/zinc/57/45/92/570574592.db2.gz	BQZZIWITHBMELD-UHFFFAOYSA-N	1	1	381.480	2.160	50	30		GEEAMO
COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@@H](C(=O)OC)[C@H]1c1ccc(C#N)cc1	ZINC000012402734	570661348	/nfs/dbraw/zinc/66/13/48/570661348.db2.gz	JHENVWNARQZEPC-VQTJNVASSA-N	1	1	396.443	2.150	50	30		GEEAMO
C=CCn1ncc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)C2CC2)c1C	ZINC000095517110	570996098	/nfs/dbraw/zinc/99/60/98/570996098.db2.gz	FNBDIUKQNXPQDU-UHFFFAOYSA-N	1	1	394.523	2.387	50	30		GEEAMO
CN(C)C1(CNC(=O)c2ccc(-c3ccc(C#N)nc3)cc2)CC[NH+](C)CC1	ZINC000426420451	231217722	/nfs/dbraw/zinc/21/77/22/231217722.db2.gz	CWLDMWOSJXZJFY-UHFFFAOYSA-N	1	1	377.492	2.376	50	30		GEEAMO
C=CCNC(=O)C[C@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1	ZINC000012714231	206245812	/nfs/dbraw/zinc/24/58/12/206245812.db2.gz	LJIZHNDHWHAKPJ-NRFANRHFSA-N	1	1	377.488	2.311	50	30		GEEAMO
Cc1c(C#N)c2nc3ccccc3n2c(O)c1CCC(=O)N1CC[NH+](C)CC1	ZINC000020426484	207191482	/nfs/dbraw/zinc/19/14/82/207191482.db2.gz	IUYVGYGBNABUCG-UHFFFAOYSA-N	1	1	377.448	2.080	50	30		GEEAMO
COc1cc(C[N@@H+]2CCN(c3ncccc3C#N)C[C@@H]2CCO)cc(OC)c1	ZINC000072419142	136169716	/nfs/dbraw/zinc/16/97/16/136169716.db2.gz	NASHDHYAEHAPAC-SFHVURJKSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cc(C[N@H+]2CCN(c3ncccc3C#N)C[C@@H]2CCO)cc(OC)c1	ZINC000072419142	136169717	/nfs/dbraw/zinc/16/97/17/136169717.db2.gz	NASHDHYAEHAPAC-SFHVURJKSA-N	1	1	382.464	2.044	50	30		GEEAMO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1	ZINC000124435862	136192386	/nfs/dbraw/zinc/19/23/86/136192386.db2.gz	NCLWURSNPMATCF-INIZCTEOSA-N	1	1	395.488	2.125	50	30		GEEAMO
C=CCN1CC[C@]2(CN(c3ccc(-c4nc(C)no4)cn3)CC[N@@H+]2C)CCC1=O	ZINC000095382108	518869956	/nfs/dbraw/zinc/86/99/56/518869956.db2.gz	GMYHIUVJPNAEKD-NRFANRHFSA-N	1	1	396.495	2.129	50	30		GEEAMO
COc1nccc(N2CCC([N@H+]3CCC[C@H](C(=O)N4CCCC4)C3)CC2)c1C#N	ZINC000071753887	570282802	/nfs/dbraw/zinc/28/28/02/570282802.db2.gz	ZSPDNTGVWIKUAT-KRWDZBQOSA-N	1	1	397.523	2.265	50	30		GEEAMO
COc1nccc(N2CCC([N@H+]3CCC[C@@H](C(=O)N4CCCC4)C3)CC2)c1C#N	ZINC000071753888	570282836	/nfs/dbraw/zinc/28/28/36/570282836.db2.gz	ZSPDNTGVWIKUAT-QGZVFWFLSA-N	1	1	397.523	2.265	50	30		GEEAMO
N#CC1(NC(=O)C[NH+]2CCC(C(=O)Nc3ccc4c(c3)OCO4)CC2)CCCC1	ZINC000007875172	570345031	/nfs/dbraw/zinc/34/50/31/570345031.db2.gz	NKTCZGNLQGMXBW-UHFFFAOYSA-N	1	1	398.463	2.018	50	30		GEEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C	ZINC000036156977	570554048	/nfs/dbraw/zinc/55/40/48/570554048.db2.gz	WCDULTWVGUBPHO-AWEZNQCLSA-N	1	1	389.521	2.085	50	30		GEEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(C)C	ZINC000036156977	570554053	/nfs/dbraw/zinc/55/40/53/570554053.db2.gz	WCDULTWVGUBPHO-AWEZNQCLSA-N	1	1	389.521	2.085	50	30		GEEAMO
N#Cc1ccccc1-c1ccc(C(=O)NCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1	ZINC000426640411	231247626	/nfs/dbraw/zinc/24/76/26/231247626.db2.gz	PFVYTBZDDJLPGQ-IBGZPJMESA-N	1	1	376.460	2.152	50	30		GEEAMO
C=CCn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3Cc2ccccc2)n(C)c1=O	ZINC000010335231	206245040	/nfs/dbraw/zinc/24/50/40/206245040.db2.gz	LDJKDXFNRPAWRC-CQSZACIVSA-N	1	1	378.436	2.040	50	30		GEEAMO
C#CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000048332507	518271362	/nfs/dbraw/zinc/27/13/62/518271362.db2.gz	TUULWUXMRLGJRK-OAQYLSRUSA-N	1	1	399.510	2.477	50	30		GEEAMO
C#CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000048332507	518271368	/nfs/dbraw/zinc/27/13/68/518271368.db2.gz	TUULWUXMRLGJRK-OAQYLSRUSA-N	1	1	399.510	2.477	50	30		GEEAMO
C=CCNC(=O)N1CC[NH+]([C@H](C(=O)N2CCCC[C@@H]2C)C2CCCC2)CC1	ZINC000036310803	518905007	/nfs/dbraw/zinc/90/50/07/518905007.db2.gz	GAZFECPSAQCEID-HKUYNNGSSA-N	1	1	376.545	2.459	50	30		GEEAMO
COc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CC[NH3+])cc1OC	ZINC000019848386	525389973	/nfs/dbraw/zinc/38/99/73/525389973.db2.gz	JAYFDPAOMSETEX-SFHVURJKSA-N	1	1	382.416	2.241	50	30		GEEAMO
C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1	ZINC000048273780	570226139	/nfs/dbraw/zinc/22/61/39/570226139.db2.gz	CJOTUDOYASBCSS-INIZCTEOSA-N	1	1	396.532	2.356	50	30		GEEAMO
C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H](CN(C(=O)OC(C)(C)C)C(C)C)C1	ZINC000048273780	570226141	/nfs/dbraw/zinc/22/61/41/570226141.db2.gz	CJOTUDOYASBCSS-INIZCTEOSA-N	1	1	396.532	2.356	50	30		GEEAMO
N#Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@H](C(=O)NC4CC4)C3)CC2)cc1	ZINC000071738829	570280829	/nfs/dbraw/zinc/28/08/29/570280829.db2.gz	FRVDDXZBBRNOJD-SFHVURJKSA-N	1	1	380.492	2.153	50	30		GEEAMO
COc1cc(N(C)C)c([N+](=O)[O-])cc1C(=O)ON=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000004455840	570375594	/nfs/dbraw/zinc/37/55/94/570375594.db2.gz	GYQMOMSUCSNDRP-BETUJISGSA-N	1	1	376.413	2.439	50	30		GEEAMO
C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000012979146	570386028	/nfs/dbraw/zinc/38/60/28/570386028.db2.gz	KWXFXJZPLMUZBC-QGZVFWFLSA-N	1	1	379.460	2.474	50	30		GEEAMO
CC[NH+](CC)c1ccc(N2/C(=N/C(C)=O)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000005377132	570569815	/nfs/dbraw/zinc/56/98/15/570569815.db2.gz	WEKXTEOULOHBDB-BQLSZWSRSA-N	1	1	395.550	2.463	50	30		GEEAMO
Cc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH2+]CCO)[C@H]2c2cccs2)cc1	ZINC000015079956	570879303	/nfs/dbraw/zinc/87/93/03/570879303.db2.gz	ANMCSJCVOHXCEF-KRWDZBQOSA-N	1	1	386.473	2.217	50	30		GEEAMO
C=C(C)Cn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3Cc2ccccc2)n(C)c1=O	ZINC000008709886	206244031	/nfs/dbraw/zinc/24/40/31/206244031.db2.gz	BZYGSWMVJFKULO-HNNXBMFYSA-N	1	1	392.463	2.430	50	30		GEEAMO
C=C(C)Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccc(F)cc2)n(C)c1=O	ZINC000008725102	206245307	/nfs/dbraw/zinc/24/53/07/206245307.db2.gz	PBYRWHVJWITMLH-UHFFFAOYSA-N	1	1	396.426	2.008	50	30		GEEAMO
COCCNC(=O)CN1CC[NH+](Cc2ccc(-c3ccccc3C#N)cc2)CC1	ZINC000022933596	207265856	/nfs/dbraw/zinc/26/58/56/207265856.db2.gz	GFTWMIIMUXEMOQ-UHFFFAOYSA-N	1	1	392.503	2.105	50	30		GEEAMO
COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@H](C(=O)OC)[C@H]1c1ccc(C#N)cc1	ZINC000012402736	207305256	/nfs/dbraw/zinc/30/52/56/207305256.db2.gz	JHENVWNARQZEPC-PMACEKPBSA-N	1	1	396.443	2.150	50	30		GEEAMO
C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2)C[C@@]12CCC(=O)N(CC1CC1)CC2	ZINC000095355177	208156788	/nfs/dbraw/zinc/15/67/88/208156788.db2.gz	VRZRYFCZILKJBG-QFIPXVFZSA-N	1	1	380.492	2.107	50	30		GEEAMO
Cc1cc(C)c(C#N)c(N2CC[N@H+](C)[C@@]3(C2)CCC(=O)N(CC2CC2)CC3)n1	ZINC000092107499	136177675	/nfs/dbraw/zinc/17/76/75/136177675.db2.gz	DXBTYXPSFBUNBZ-QFIPXVFZSA-N	1	1	381.524	2.483	50	30		GEEAMO
C#CCSc1nn2c(nc3c(c2=O)C[N@@H+](CCc2ccccc2)CC3)s1	ZINC000015414124	518339621	/nfs/dbraw/zinc/33/96/21/518339621.db2.gz	JTUBSSUSNOHKBX-UHFFFAOYSA-N	1	1	382.514	2.477	50	30		GEEAMO
CCCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CC[NH+](CC)CC1	ZINC000002323942	520663795	/nfs/dbraw/zinc/66/37/95/520663795.db2.gz	NPGIUMUGNVCOMA-MRXNPFEDSA-N	1	1	380.496	2.295	50	30		GEEAMO
Cc1ccc(S(=O)(=O)N(C)CC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)cc1	ZINC000005059593	525495071	/nfs/dbraw/zinc/49/50/71/525495071.db2.gz	QLALUNPQZHRNGT-UHFFFAOYSA-N	1	1	395.868	2.133	50	30		GEEAMO
CCN1CC[NH+](CCCNC(=O)c2cc(NC(=O)OC(C)(C)C)on2)CC1	ZINC000328592727	529141885	/nfs/dbraw/zinc/14/18/85/529141885.db2.gz	WBBLZFHYOJRNRT-UHFFFAOYSA-N	1	1	381.477	2.354	50	30		GEEAMO
C#CCOC[C@@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1	ZINC000036098502	570536694	/nfs/dbraw/zinc/53/66/94/570536694.db2.gz	GHZLKJJMLZGCFM-IBGZPJMESA-N	1	1	383.444	2.437	50	30		GEEAMO
N#Cc1ccc(OC[C@@H](O)C[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1	ZINC000022912799	207263075	/nfs/dbraw/zinc/26/30/75/207263075.db2.gz	AJLKFRCXOCHGSX-NRFANRHFSA-N	1	1	393.487	2.051	50	30		GEEAMO
O[C@H](CO/N=C/C1=C(Cl)c2cc(Cl)ccc2OC1)C[NH+]1CCOCC1	ZINC000020223849	526284402	/nfs/dbraw/zinc/28/44/02/526284402.db2.gz	ONBKQGRWQDGDHL-CSLHCHJMSA-N	1	1	387.263	2.378	50	30		GEEAMO
Cc1ccc(C(=O)C2C(=O)C(=O)N(CC[NH2+]CCO)[C@@H]2c2cccs2)cc1	ZINC000015079951	570879477	/nfs/dbraw/zinc/87/94/77/570879477.db2.gz	ANMCSJCVOHXCEF-QGZVFWFLSA-N	1	1	386.473	2.217	50	30		GEEAMO
COC(=O)C1=C(C)C=C([NH+]2CCOCC2)[C@@H](C(=O)OC)[C@@H]1c1ccc(C#N)cc1	ZINC000012402735	207305377	/nfs/dbraw/zinc/30/53/77/207305377.db2.gz	JHENVWNARQZEPC-WOJBJXKFSA-N	1	1	396.443	2.150	50	30		GEEAMO
N#Cc1ccccc1-c1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)o1	ZINC000091351203	208116485	/nfs/dbraw/zinc/11/64/85/208116485.db2.gz	JDBJJYURPWVRBN-RTBURBONSA-N	1	1	381.476	2.191	50	30		GEEAMO
N#Cc1cccnc1N1CC[NH+](CCC(=O)N2CCCc3ccccc32)CC1	ZINC000065527863	136164171	/nfs/dbraw/zinc/16/41/71/136164171.db2.gz	NQJNQSIQGYBDEE-UHFFFAOYSA-N	1	1	375.476	2.445	50	30		GEEAMO
C=CCN1CC[C@]2(CN(Cc3ccc4nsnc4c3)CC[N@@H+]2C)CCC1=O	ZINC000095368252	518869388	/nfs/dbraw/zinc/86/93/88/518869388.db2.gz	SWZGXBWAPQDCFJ-FQEVSTJZSA-N	1	1	385.537	2.376	50	30		GEEAMO
C=CCn1nc(C)c(C[N@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)c1C	ZINC000221314540	527390256	/nfs/dbraw/zinc/39/02/56/527390256.db2.gz	OXJAUTGLNDCTKM-OAQYLSRUSA-N	1	1	395.511	2.104	50	30		GEEAMO
C=CCn1nc(C)c(C[N@@H+]2CCCn3nc([C@@H](O)c4ccnn4C)cc3C2)c1C	ZINC000221314540	527390262	/nfs/dbraw/zinc/39/02/62/527390262.db2.gz	OXJAUTGLNDCTKM-OAQYLSRUSA-N	1	1	395.511	2.104	50	30		GEEAMO
C=CCN1CC[C@@]2(CN(c3ccc(-c4nc(C)no4)cn3)CC[N@@H+]2C)CCC1=O	ZINC000108035801	570235003	/nfs/dbraw/zinc/23/50/03/570235003.db2.gz	GMYHIUVJPNAEKD-OAQYLSRUSA-N	1	1	396.495	2.129	50	30		GEEAMO
CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)CC1	ZINC000023375503	570300095	/nfs/dbraw/zinc/30/00/95/570300095.db2.gz	SPXPOFOOEUGAKO-JOCHJYFZSA-N	1	1	399.535	2.159	50	30		GEEAMO
COC[C@H](C)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000072308093	570525846	/nfs/dbraw/zinc/52/58/46/570525846.db2.gz	GQAFRJMSSXLLIF-IRXDYDNUSA-N	1	1	376.476	2.113	50	30		GEEAMO
C=CCN1C(=O)[C@]2(C[N@H+](C)C[C@@]23c2cc(Cl)ccc2NC3=O)SC1=S	ZINC000097944011	570745490	/nfs/dbraw/zinc/74/54/90/570745490.db2.gz	YVMVNEKNBKXNJB-IRXDYDNUSA-N	1	1	393.921	2.260	50	30		GEEAMO
C#CCC[NH+]1CCN(C(=O)C2CCN(C(=O)/C=C\c3ccccc3)CC2)CC1	ZINC000096401894	518249138	/nfs/dbraw/zinc/24/91/38/518249138.db2.gz	WMZAFJWEOFZSBH-KTKRTIGZSA-N	1	1	379.504	2.106	50	30		GEEAMO
C=CCNC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1	ZINC000011998644	518903165	/nfs/dbraw/zinc/90/31/65/518903165.db2.gz	MLGSDUDNPSFINE-HXUWFJFHSA-N	1	1	398.551	2.417	50	30		GEEAMO
CCOc1ccccc1[C@H](C#Cc1ccc(N)nc1)[NH+]1CCC(C(N)=O)CC1	ZINC000095531443	521581425	/nfs/dbraw/zinc/58/14/25/521581425.db2.gz	OAYRFRDLEATTIJ-IBGZPJMESA-N	1	1	378.476	2.353	50	30		GEEAMO
C=C(C)CN1[NH+]=C(C(C)(C)C)Cn2c1nc1c2c(=O)n(CC(=C)C)c(=O)n1C	ZINC000005148199	570427632	/nfs/dbraw/zinc/42/76/32/570427632.db2.gz	YPZCLCKNMCAKNS-UHFFFAOYSA-N	1	1	384.484	2.271	50	30		GEEAMO
C=CCn1cc(C[N@@H+]2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)c(C)n1	ZINC000072429970	570972002	/nfs/dbraw/zinc/97/20/02/570972002.db2.gz	JYBVCXUWPHIXIX-GOSISDBHSA-N	1	1	383.544	2.481	50	30		GEEAMO
COc1ccc(C)cc1CN1CC[NH+](C[C@@H](O)COc2ccc(C#N)cc2)CC1	ZINC000022777076	207261745	/nfs/dbraw/zinc/26/17/45/207261745.db2.gz	XMTLVYHVKGAZFZ-OAQYLSRUSA-N	1	1	395.503	2.433	50	30		GEEAMO
C=CCN1CC[C@@]2(CN(C(=O)CCc3ccsc3)CC[N@@H+]2C)CCC1=O	ZINC000095378403	518867700	/nfs/dbraw/zinc/86/77/00/518867700.db2.gz	RCJOSSJLVKRGMI-HXUWFJFHSA-N	1	1	375.538	2.392	50	30		GEEAMO
C=CCN1CC[C@]2(CN(Cc3snnc3C(C)C)CC[N@H+]2C)CCC1=O	ZINC000091893946	518870725	/nfs/dbraw/zinc/87/07/25/518870725.db2.gz	JPRJYWAJNOZIMC-IBGZPJMESA-N	1	1	377.558	2.346	50	30		GEEAMO
C=CCNC(=O)N1CC[NH+]([C@@H](C(=O)N2CCCC[C@H]2C)C2CCCC2)CC1	ZINC000036310800	518905391	/nfs/dbraw/zinc/90/53/91/518905391.db2.gz	GAZFECPSAQCEID-IEBWSBKVSA-N	1	1	376.545	2.459	50	30		GEEAMO
C=CCNC(=O)c1sc2ncnc(NCCC[NH+]3CCOCC3)c2c1C	ZINC000019852009	518947449	/nfs/dbraw/zinc/94/74/49/518947449.db2.gz	OLRRWTMNLPSRCY-UHFFFAOYSA-N	1	1	375.498	2.050	50	30		GEEAMO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccco1)C2	ZINC000014732154	570245697	/nfs/dbraw/zinc/24/56/97/570245697.db2.gz	SJEXFFXTTRIQKQ-MRXNPFEDSA-N	1	1	384.480	2.124	50	30		GEEAMO
C=C(C)C[N@@H+](CC)Cc1cccc(OC[C@H](O)CN2CCN(CC)CC2)c1	ZINC000020539997	570283511	/nfs/dbraw/zinc/28/35/11/570283511.db2.gz	ZTPCWTKGTFUBBV-OAQYLSRUSA-N	1	1	375.557	2.462	50	30		GEEAMO
C=C(C)C[N@H+](CC)Cc1cccc(OC[C@H](O)CN2CCN(CC)CC2)c1	ZINC000020539997	570283514	/nfs/dbraw/zinc/28/35/14/570283514.db2.gz	ZTPCWTKGTFUBBV-OAQYLSRUSA-N	1	1	375.557	2.462	50	30		GEEAMO
COC[C@@H](C)[NH+]1CCN([C@@H](C)C(=O)N(CCC#N)c2ccc(F)cc2)CC1	ZINC000072308094	570302539	/nfs/dbraw/zinc/30/25/39/570302539.db2.gz	GQAFRJMSSXLLIF-SJORKVTESA-N	1	1	376.476	2.113	50	30		GEEAMO
C=C(C)CN1[NH+]=C(C)Cn2c1nc1c2c(=O)n(Cc2ccc(C)cc2)c(=O)n1C	ZINC000008706196	221050531	/nfs/dbraw/zinc/05/05/31/221050531.db2.gz	ZOYWGBRLMMQTHB-UHFFFAOYSA-N	1	1	392.463	2.025	50	30		GEEAMO
COc1cc(C[N@@H+]2CCN(c3cccc(C#N)n3)C[C@@H]2CCO)cc(OC)c1	ZINC000072475918	136171356	/nfs/dbraw/zinc/17/13/56/136171356.db2.gz	BVZIAUBJHFLSHA-SFHVURJKSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cc(C[N@H+]2CCN(c3cccc(C#N)n3)C[C@@H]2CCO)cc(OC)c1	ZINC000072475918	136171357	/nfs/dbraw/zinc/17/13/57/136171357.db2.gz	BVZIAUBJHFLSHA-SFHVURJKSA-N	1	1	382.464	2.044	50	30		GEEAMO
CC(=O)Nc1ccc(S(=O)(=O)NCC#CC[N@H+](C)Cc2ccccc2)cc1	ZINC000090590661	519731017	/nfs/dbraw/zinc/73/10/17/519731017.db2.gz	XOYWPNSQQYGEAE-UHFFFAOYSA-N	1	1	385.489	2.059	50	30		GEEAMO
COc1ccc(C(=[NH2+])NOC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC	ZINC000004553345	523371501	/nfs/dbraw/zinc/37/15/01/523371501.db2.gz	PFYWCUYTYMMYSJ-UHFFFAOYSA-N	1	1	390.392	2.207	50	30		GEEAMO
O=C(/C=C/c1ccc(F)c(F)c1)c1cccc(S(=O)(=O)N2CC[NH2+]CC2)c1	ZINC000036403715	527610513	/nfs/dbraw/zinc/61/05/13/527610513.db2.gz	HBMKVSAVXJXJFG-FNORWQNLSA-N	1	1	392.427	2.455	50	30		GEEAMO
O=C(c1ccccc1)C1C(=O)C(=O)N(CCC[NH2+]CCO)[C@H]1c1ccccc1	ZINC000019932464	527672648	/nfs/dbraw/zinc/67/26/48/527672648.db2.gz	AGDGUZBFINILBQ-IBGZPJMESA-N	1	1	380.444	2.237	50	30		GEEAMO
CCOC(=O)N1CCN([C@H]2CCC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)CC1	ZINC000023375505	570300025	/nfs/dbraw/zinc/30/00/25/570300025.db2.gz	SPXPOFOOEUGAKO-QFIPXVFZSA-N	1	1	399.535	2.159	50	30		GEEAMO
N#Cc1ccccc1N1CCC[N@@H+](CC(=O)NC(=O)NC2CCCCC2)CC1	ZINC000052801015	570908269	/nfs/dbraw/zinc/90/82/69/570908269.db2.gz	URDMWAMGTMOTPH-UHFFFAOYSA-N	1	1	383.496	2.229	50	30		GEEAMO
N#Cc1ccccc1N1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)CC1	ZINC000052801015	570908272	/nfs/dbraw/zinc/90/82/72/570908272.db2.gz	URDMWAMGTMOTPH-UHFFFAOYSA-N	1	1	383.496	2.229	50	30		GEEAMO
N#Cc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1	ZINC000017178532	570929082	/nfs/dbraw/zinc/92/90/82/570929082.db2.gz	UZRHOCYFAJVYSO-HXUWFJFHSA-N	1	1	392.459	2.077	50	30		GEEAMO
N#Cc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1	ZINC000017178532	570929085	/nfs/dbraw/zinc/92/90/85/570929085.db2.gz	UZRHOCYFAJVYSO-HXUWFJFHSA-N	1	1	392.459	2.077	50	30		GEEAMO
C=CCNC(=O)NC(=O)C[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1	ZINC000008881778	209161210	/nfs/dbraw/zinc/16/12/10/209161210.db2.gz	PYONGSNYZOLYIS-UHFFFAOYSA-N	1	1	383.395	2.273	50	30		GEEAMO
C=CCNC(=O)NC(=O)C[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1	ZINC000008881778	209161214	/nfs/dbraw/zinc/16/12/14/209161214.db2.gz	PYONGSNYZOLYIS-UHFFFAOYSA-N	1	1	383.395	2.273	50	30		GEEAMO
C=C(C)Cn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2ccccc2C)n(C)c1=O	ZINC000008725032	221052458	/nfs/dbraw/zinc/05/24/58/221052458.db2.gz	ONTZFYUXKSIBFM-UHFFFAOYSA-N	1	1	392.463	2.177	50	30		GEEAMO
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CC[NH2+]CC2)[C@H]1c1ccccc1	ZINC000019898603	527671729	/nfs/dbraw/zinc/67/17/29/527671729.db2.gz	VMSZINFOPYWGLL-FQEVSTJZSA-N	1	1	391.471	2.170	50	30		GEEAMO
C#CCC[NH+]1CCN(C(=O)CCc2nc(-c3ccc(OCC)cc3)no2)CC1	ZINC000048286594	570231486	/nfs/dbraw/zinc/23/14/86/570231486.db2.gz	MORACJQCYSSOCZ-UHFFFAOYSA-N	1	1	382.464	2.235	50	30		GEEAMO
C#CCOC[C@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2	ZINC000036102350	570538894	/nfs/dbraw/zinc/53/88/94/570538894.db2.gz	ANTNSJYXBQYNKD-LJQANCHMSA-N	1	1	383.444	2.437	50	30		GEEAMO
COc1cc2c(cc1OC)C(=[NH+]NC(C)=C1C(=O)C=C(C)OC1=O)NC(C)(C)C2	ZINC000105926634	570700210	/nfs/dbraw/zinc/70/02/10/570700210.db2.gz	LDADVMGRXKMMDL-KCDOPAPYSA-N	1	1	399.447	2.397	50	30		GEEAMO
C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H](c1ccc(C#CCCO)cc1)N[C@]2(CO)c1ccccc1	ZINC000065492037	571001125	/nfs/dbraw/zinc/00/11/25/571001125.db2.gz	ZXWMNGAJPCDWTQ-UEQSERJNSA-N	1	1	376.500	2.130	50	30		GEEAMO
N#Cc1ccc(C(=O)N2CCC([N@H+]3CCC[C@@H](C(=O)NC4CC4)C3)CC2)cc1	ZINC000071738830	211053752	/nfs/dbraw/zinc/05/37/52/211053752.db2.gz	FRVDDXZBBRNOJD-GOSISDBHSA-N	1	1	380.492	2.153	50	30		GEEAMO
COc1ccc2[nH]c(=O)c(C[NH+]3CCN(c4ncccc4C#N)CC3)cc2c1	ZINC000067852502	211025566	/nfs/dbraw/zinc/02/55/66/211025566.db2.gz	MJACQUMDTISHOT-UHFFFAOYSA-N	1	1	375.432	2.126	50	30		GEEAMO
C[N@H+]1CCc2nc(SCC(=O)NCc3ccc4c(c3)OCO4)c(C#N)cc2C1	ZINC000019683187	210281080	/nfs/dbraw/zinc/28/10/80/210281080.db2.gz	SVHLQOSBDIVNCQ-UHFFFAOYSA-N	1	1	396.472	2.078	50	30		GEEAMO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(c3ncnc4ccsc43)CC2)cc1	ZINC000124435710	136192378	/nfs/dbraw/zinc/19/23/78/136192378.db2.gz	NCLWURSNPMATCF-MRXNPFEDSA-N	1	1	395.488	2.125	50	30		GEEAMO
COc1cccc(C[N@@H+]2CCN(c3ccnc(OC)c3C#N)C[C@H]2CCO)c1	ZINC000106978182	136201674	/nfs/dbraw/zinc/20/16/74/136201674.db2.gz	MHQARMPDABPQMI-QGZVFWFLSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cccc(C[N@H+]2CCN(c3ccnc(OC)c3C#N)C[C@H]2CCO)c1	ZINC000106978182	136201675	/nfs/dbraw/zinc/20/16/75/136201675.db2.gz	MHQARMPDABPQMI-QGZVFWFLSA-N	1	1	382.464	2.044	50	30		GEEAMO
CN(CCC[N@@H+](C)CCCNC(=O)c1ccc(/C=N/O)nc1)Cc1ccccc1	ZINC000005025493	522770058	/nfs/dbraw/zinc/77/00/58/522770058.db2.gz	ZGWMOSSZJKBYAW-KOEQRZSOSA-N	1	1	397.523	2.464	50	30		GEEAMO
O=C(c1ccccc1)C1C(=O)C(=O)N(CCN2CC[NH2+]CC2)[C@@H]1c1ccccc1	ZINC000022872481	527672359	/nfs/dbraw/zinc/67/23/59/527672359.db2.gz	VMSZINFOPYWGLL-HXUWFJFHSA-N	1	1	391.471	2.170	50	30		GEEAMO
C=CCN1CC[C@@]2(CN(Cc3nc(-c4ccco4)no3)CC[N@@H+]2C)CCC1=O	ZINC000107409008	570233175	/nfs/dbraw/zinc/23/31/75/570233175.db2.gz	WJULYYBCJXVYPJ-HXUWFJFHSA-N	1	1	385.468	2.014	50	30		GEEAMO
C#CCOC[C@H](O)C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc(OC)c1	ZINC000036098504	570536363	/nfs/dbraw/zinc/53/63/63/570536363.db2.gz	GHZLKJJMLZGCFM-LJQANCHMSA-N	1	1	383.444	2.437	50	30		GEEAMO
C=CCOC[C@@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)C	ZINC000036159678	120305223	/nfs/dbraw/zinc/30/52/23/120305223.db2.gz	OPTXDYBTVMRHNP-ZDUSSCGKSA-N	1	1	377.510	2.247	50	30		GEEAMO
C=CCOC[C@@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)C	ZINC000036159678	120305225	/nfs/dbraw/zinc/30/52/25/120305225.db2.gz	OPTXDYBTVMRHNP-ZDUSSCGKSA-N	1	1	377.510	2.247	50	30		GEEAMO
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC#CC[N@@H+]1CCc2ccccc2C1	ZINC000077197645	212058983	/nfs/dbraw/zinc/05/89/83/212058983.db2.gz	YYRVRSQOXNTYDT-VGSWGCGISA-N	1	1	376.456	2.393	50	30		GEEAMO
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCC#CC[N@H+]1CCc2ccccc2C1	ZINC000077197645	212058985	/nfs/dbraw/zinc/05/89/85/212058985.db2.gz	YYRVRSQOXNTYDT-VGSWGCGISA-N	1	1	376.456	2.393	50	30		GEEAMO
C=CCN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccc(C)cc1)c3=O	ZINC000008706154	209161566	/nfs/dbraw/zinc/16/15/66/209161566.db2.gz	HEATXXTYBZFRFF-OAHLLOKOSA-N	1	1	392.463	2.196	50	30		GEEAMO
N#Cc1ccsc1NC(=O)CC[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000021904067	210398603	/nfs/dbraw/zinc/39/86/03/210398603.db2.gz	ALVXMIKNJMPLON-UHFFFAOYSA-N	1	1	398.488	2.495	50	30		GEEAMO
C=C(C)C[N@@H+](C)Cc1ccc(OC[C@@H](O)CN2CCN(CC)CC2)c(OC)c1	ZINC000020256232	518588938	/nfs/dbraw/zinc/58/89/38/518588938.db2.gz	SSMWNEBWAWQRFL-FQEVSTJZSA-N	1	1	391.556	2.080	50	30		GEEAMO
C=C(C)C[N@H+](C)Cc1ccc(OC[C@@H](O)CN2CCN(CC)CC2)c(OC)c1	ZINC000020256232	518588945	/nfs/dbraw/zinc/58/89/45/518588945.db2.gz	SSMWNEBWAWQRFL-FQEVSTJZSA-N	1	1	391.556	2.080	50	30		GEEAMO
C=CCn1cc(CN2CC[N@@H+](C)C3(CCN(C(=O)OC(C)C)CC3)C2)cn1	ZINC000067920390	519277096	/nfs/dbraw/zinc/27/70/96/519277096.db2.gz	CLOYCMIZUHLQSU-UHFFFAOYSA-N	1	1	375.517	2.196	50	30		GEEAMO
CN1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cccc(C#CC(C)(C)O)c3)C2)CC1	ZINC000011760219	523767615	/nfs/dbraw/zinc/76/76/15/523767615.db2.gz	QPZIRZOYZIXOON-HXUWFJFHSA-N	1	1	383.536	2.097	50	30		GEEAMO
CN1CCC([N@H+]2CCC[C@@H](NC(=O)c3cccc(C#CC(C)(C)O)c3)C2)CC1	ZINC000011760219	523767619	/nfs/dbraw/zinc/76/76/19/523767619.db2.gz	QPZIRZOYZIXOON-HXUWFJFHSA-N	1	1	383.536	2.097	50	30		GEEAMO
N#CCc1ccc(OC[C@H](O)CN2CC[NH+](CCOc3ccccc3)CC2)cc1	ZINC000025231092	526486408	/nfs/dbraw/zinc/48/64/08/526486408.db2.gz	PZBKTPWIBFZNKI-OAQYLSRUSA-N	1	1	395.503	2.189	50	30		GEEAMO
N#CCc1ccc(OC[C@H](O)C[NH+]2CCN(CCOc3ccccc3)CC2)cc1	ZINC000025231092	526486414	/nfs/dbraw/zinc/48/64/14/526486414.db2.gz	PZBKTPWIBFZNKI-OAQYLSRUSA-N	1	1	395.503	2.189	50	30		GEEAMO
C=C(C)C[N@@H+](CC)Cc1cccc(OC[C@@H](O)CN2CCN(CC)CC2)c1	ZINC000020539999	570283660	/nfs/dbraw/zinc/28/36/60/570283660.db2.gz	ZTPCWTKGTFUBBV-NRFANRHFSA-N	1	1	375.557	2.462	50	30		GEEAMO
C=C(C)C[N@H+](CC)Cc1cccc(OC[C@@H](O)CN2CCN(CC)CC2)c1	ZINC000020539999	570283663	/nfs/dbraw/zinc/28/36/63/570283663.db2.gz	ZTPCWTKGTFUBBV-NRFANRHFSA-N	1	1	375.557	2.462	50	30		GEEAMO
Cc1[nH+]c2cc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)ccc2n1-c1ccccc1	ZINC000012573703	570874886	/nfs/dbraw/zinc/87/48/86/570874886.db2.gz	JDGKBJKMDCQICU-UHFFFAOYSA-N	1	1	386.415	2.347	50	30		GEEAMO
N#Cc1ccccc1NC(=O)CC[N@H+]1CCCN(Cc2noc(C3CC3)n2)CC1	ZINC000106150684	570949366	/nfs/dbraw/zinc/94/93/66/570949366.db2.gz	VTSVJMDTUQLAMZ-UHFFFAOYSA-N	1	1	394.479	2.355	50	30		GEEAMO
C#CCC[NH+]1CCN(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)CC1	ZINC000058378015	570984076	/nfs/dbraw/zinc/98/40/76/570984076.db2.gz	WMZAFJWEOFZSBH-MDZDMXLPSA-N	1	1	379.504	2.106	50	30		GEEAMO
Cc1c(CNCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)cc(C#N)n1C	ZINC000108421131	570988431	/nfs/dbraw/zinc/98/84/31/570988431.db2.gz	WGYNLWHQLXCCTQ-IBGZPJMESA-N	1	1	379.508	2.192	50	30		GEEAMO
Cc1c(CNCc2cccc(C[N@H+]3CCC[C@H](C(N)=O)C3)c2)cc(C#N)n1C	ZINC000108421131	570988434	/nfs/dbraw/zinc/98/84/34/570988434.db2.gz	WGYNLWHQLXCCTQ-IBGZPJMESA-N	1	1	379.508	2.192	50	30		GEEAMO
CN(C)c1ccc(C=NNC(=N)C(=N)N[NH+]=Cc2ccc(N(C)C)cc2)cc1	ZINC000001678867	209337592	/nfs/dbraw/zinc/33/75/92/209337592.db2.gz	HOSCYANUUWEQEX-RNIAWFEPSA-N	1	1	378.484	2.111	50	30		GEEAMO
N#Cc1cccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)N4CCOCC4)C3)CC2)c1	ZINC000067847633	211024424	/nfs/dbraw/zinc/02/44/24/211024424.db2.gz	CSZOKYZLBKLWJK-OAQYLSRUSA-N	1	1	396.535	2.093	50	30		GEEAMO
N#Cc1ccc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)cc1	ZINC000067587682	222149057	/nfs/dbraw/zinc/14/90/57/222149057.db2.gz	WCKVBACVRABSMZ-NRFANRHFSA-N	1	1	396.535	2.093	50	30		GEEAMO
N#CC1CCN(Cc2ccccc2OC[C@H](O)C[NH+]2CCSCC2)CC1	ZINC000095497260	526440103	/nfs/dbraw/zinc/44/01/03/526440103.db2.gz	HJLXIRNGDAFVIC-LJQANCHMSA-N	1	1	375.538	2.211	50	30		GEEAMO
COC(=O)C1=C(CCO)C2=C3C1C(=O)[C@@H]1C[C@H]4[N@@H+](C[C@@H](CCC2=O)[C@@]34C)C[C@H]1C	ZINC000199346626	291115171	/nfs/dbraw/zinc/11/51/71/291115171.db2.gz	VNGVJVLIJHNWFZ-UHCAAFETSA-N	1	1	399.487	2.300	50	30		GEEAMO
C=CCNC(=O)C[C@@H]1C(=O)NCC[N@@H+]1CC(c1ccccc1)c1ccccc1	ZINC000012714236	209165260	/nfs/dbraw/zinc/16/52/60/209165260.db2.gz	LJIZHNDHWHAKPJ-OAQYLSRUSA-N	1	1	377.488	2.311	50	30		GEEAMO
COc1cc(C[N@@H+]2CCN(c3ccc(C#N)cn3)C[C@@H]2CCO)cc(OC)c1	ZINC000072457727	136171083	/nfs/dbraw/zinc/17/10/83/136171083.db2.gz	SSAJUSQQFFNEHF-SFHVURJKSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cc(C[N@H+]2CCN(c3ccc(C#N)cn3)C[C@@H]2CCO)cc(OC)c1	ZINC000072457727	136171084	/nfs/dbraw/zinc/17/10/84/136171084.db2.gz	SSAJUSQQFFNEHF-SFHVURJKSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1ccc2c(c1)OC[C@]1(CO)C[N@H+](Cc3ccc(C#CCO)cc3)C[C@H]21	ZINC000095370469	525569443	/nfs/dbraw/zinc/56/94/43/525569443.db2.gz	IGFFFXJKNIAQPQ-FYYLOGMGSA-N	1	1	379.456	2.010	50	30		GEEAMO
C=CCn1nc(C)c(C[N@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)c1C	ZINC000221314496	527390329	/nfs/dbraw/zinc/39/03/29/527390329.db2.gz	OXJAUTGLNDCTKM-NRFANRHFSA-N	1	1	395.511	2.104	50	30		GEEAMO
C=CCn1nc(C)c(C[N@@H+]2CCCn3nc([C@H](O)c4ccnn4C)cc3C2)c1C	ZINC000221314496	527390334	/nfs/dbraw/zinc/39/03/34/527390334.db2.gz	OXJAUTGLNDCTKM-NRFANRHFSA-N	1	1	395.511	2.104	50	30		GEEAMO
C[NH+]1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NC2CCCCC2)CC1	ZINC000004860026	570349847	/nfs/dbraw/zinc/34/98/47/570349847.db2.gz	ZYJPVFDRANCLQX-QGZVFWFLSA-N	1	1	392.507	2.438	50	30		GEEAMO
CCCCCCCC[n+]1cccc(C(=O)N2c3c(nc(N)[nH]c3=O)NC[C@H]2C)c1	ZINC000135660042	570371667	/nfs/dbraw/zinc/37/16/67/570371667.db2.gz	VCMOOOZSVBOHRO-OAHLLOKOSA-O	1	1	399.519	2.461	50	30		GEEAMO
C=CCN(C(=O)CN1CCC[N@@H+](CC(=O)NC(C)(C)C)CC1)c1ccccc1	ZINC000022913124	570571186	/nfs/dbraw/zinc/57/11/86/570571186.db2.gz	IIDMMRQDZSJJOP-UHFFFAOYSA-N	1	1	386.540	2.128	50	30		GEEAMO
C=CCN(C(=O)CN1CCC[N@H+](CC(=O)NC(C)(C)C)CC1)c1ccccc1	ZINC000022913124	570571189	/nfs/dbraw/zinc/57/11/89/570571189.db2.gz	IIDMMRQDZSJJOP-UHFFFAOYSA-N	1	1	386.540	2.128	50	30		GEEAMO
N#Cc1ccccc1NC(=O)C(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1	ZINC000017178534	570929097	/nfs/dbraw/zinc/92/90/97/570929097.db2.gz	UZRHOCYFAJVYSO-FQEVSTJZSA-N	1	1	392.459	2.077	50	30		GEEAMO
N#Cc1ccccc1NC(=O)C(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1	ZINC000017178534	570929101	/nfs/dbraw/zinc/92/91/01/570929101.db2.gz	UZRHOCYFAJVYSO-FQEVSTJZSA-N	1	1	392.459	2.077	50	30		GEEAMO
C=CCN1CC[C@]2(CN(Cc3nc(-c4ccco4)no3)CC[N@@H+]2C)CCC1=O	ZINC000091637106	570984658	/nfs/dbraw/zinc/98/46/58/570984658.db2.gz	WJULYYBCJXVYPJ-FQEVSTJZSA-N	1	1	385.468	2.014	50	30		GEEAMO
C[N@H+](CC(=O)NC1(C#N)CCCC1)Cc1ccc(C(=O)NCC(F)(F)F)cc1	ZINC000027298319	570991296	/nfs/dbraw/zinc/99/12/96/570991296.db2.gz	PYGXQKLGVDYDMC-UHFFFAOYSA-N	1	1	396.413	2.363	50	30		GEEAMO
C[N@@H+](CC(=O)NC1(C#N)CCCC1)Cc1ccc(C(=O)NCC(F)(F)F)cc1	ZINC000027298319	570991298	/nfs/dbraw/zinc/99/12/98/570991298.db2.gz	PYGXQKLGVDYDMC-UHFFFAOYSA-N	1	1	396.413	2.363	50	30		GEEAMO
C[N@H+]1CCN(C(=O)c2ccc(C#N)cc2)C[C@]12CCC(=O)N(CC1CC1)CC2	ZINC000095355178	211222509	/nfs/dbraw/zinc/22/25/09/211222509.db2.gz	VRZRYFCZILKJBG-JOCHJYFZSA-N	1	1	380.492	2.107	50	30		GEEAMO
C=CCN1CC2(CCC1=O)CC[NH+](CCS(=O)(=O)c1ccccc1)CC2	ZINC000091965105	518859861	/nfs/dbraw/zinc/85/98/61/518859861.db2.gz	XZUNRTWAJXFLEB-UHFFFAOYSA-N	1	1	376.522	2.351	50	30		GEEAMO
CCc1nnc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)s1	ZINC000049936924	570272935	/nfs/dbraw/zinc/27/29/35/570272935.db2.gz	YTQIYSYPLRBZQA-UHFFFAOYSA-N	1	1	376.442	2.397	50	30		GEEAMO
C=CCOC[C@@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccccc2)CC1	ZINC000036340434	120306173	/nfs/dbraw/zinc/30/61/73/120306173.db2.gz	GGFQKJLUBJEFOC-NRFANRHFSA-N	1	1	396.535	2.370	50	30		GEEAMO
C=CCn1c(=O)c2c(nc3n2[C@@H](C)C(C)=[NH+]N3Cc2ccccc2)n(C)c1=O	ZINC000010335238	209162397	/nfs/dbraw/zinc/16/23/97/209162397.db2.gz	LDJKDXFNRPAWRC-AWEZNQCLSA-N	1	1	378.436	2.040	50	30		GEEAMO
CC(C)C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(C#N)nc1)CC2	ZINC000092107702	211217260	/nfs/dbraw/zinc/21/72/60/211217260.db2.gz	BXUHYJKZFSLOQT-UHFFFAOYSA-N	1	1	378.480	2.322	50	30		GEEAMO
Cc1cnc(CN2C[C@]3(CCC[N@H+](Cc4cc(C#N)n(C)c4)C3)CCC2=O)cn1	ZINC000091736510	211206533	/nfs/dbraw/zinc/20/65/33/211206533.db2.gz	CLDYVFKIBGJADB-JOCHJYFZSA-N	1	1	392.507	2.400	50	30		GEEAMO
C=CCN1CC[C@]2(CN(C(=O)CCc3ccsc3)CC[N@@H+]2C)CCC1=O	ZINC000095378402	518867600	/nfs/dbraw/zinc/86/76/00/518867600.db2.gz	RCJOSSJLVKRGMI-FQEVSTJZSA-N	1	1	375.538	2.392	50	30		GEEAMO
CCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](C)CC1	ZINC000002274006	520215519	/nfs/dbraw/zinc/21/55/19/520215519.db2.gz	HTRTWBJHYUVCMS-MRXNPFEDSA-N	1	1	380.496	2.295	50	30		GEEAMO
Cc1ccc(CN2CC[N@H+](Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)o1	ZINC000020204706	524457601	/nfs/dbraw/zinc/45/76/01/524457601.db2.gz	HCSSJRHWUWVVEU-QFIPXVFZSA-N	1	1	382.504	2.391	50	30		GEEAMO
Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)o1	ZINC000020204706	524457613	/nfs/dbraw/zinc/45/76/13/524457613.db2.gz	HCSSJRHWUWVVEU-QFIPXVFZSA-N	1	1	382.504	2.391	50	30		GEEAMO
Cc1ccc(C[N@@H+]2CCN(Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)o1	ZINC000020204706	524457620	/nfs/dbraw/zinc/45/76/20/524457620.db2.gz	HCSSJRHWUWVVEU-QFIPXVFZSA-N	1	1	382.504	2.391	50	30		GEEAMO
Cc1ccc(C[N@H+]2CCN(Cc3ccc(C#CCCO)cc3)C[C@@H]2CCO)o1	ZINC000020204706	524457632	/nfs/dbraw/zinc/45/76/32/524457632.db2.gz	HCSSJRHWUWVVEU-QFIPXVFZSA-N	1	1	382.504	2.391	50	30		GEEAMO
O[C@@H](CO/N=C/C1=C(Cl)c2cc(Cl)ccc2OC1)C[NH+]1CCOCC1	ZINC000020223847	527657181	/nfs/dbraw/zinc/65/71/81/527657181.db2.gz	ONBKQGRWQDGDHL-AVVUEXNVSA-N	1	1	387.263	2.378	50	30		GEEAMO
CCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](C)CC1	ZINC000004857815	570413013	/nfs/dbraw/zinc/41/30/13/570413013.db2.gz	HTRTWBJHYUVCMS-INIZCTEOSA-N	1	1	380.496	2.295	50	30		GEEAMO
CC[NH+](CC)c1ccc(N2/C(=N/C(C)=O)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000005377137	570569850	/nfs/dbraw/zinc/56/98/50/570569850.db2.gz	WEKXTEOULOHBDB-BNIZFGOISA-N	1	1	395.550	2.463	50	30		GEEAMO
COc1cc2c(cc1OC)C(=[NH+]NC(C)=C1C(=O)C=C(C)OC1=O)NC(C)(C)C2	ZINC000105926638	570700184	/nfs/dbraw/zinc/70/01/84/570700184.db2.gz	LDADVMGRXKMMDL-BYWZACNXSA-N	1	1	399.447	2.397	50	30		GEEAMO
Cc1c(CNCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)cc(C#N)n1C	ZINC000108421133	570988331	/nfs/dbraw/zinc/98/83/31/570988331.db2.gz	WGYNLWHQLXCCTQ-LJQANCHMSA-N	1	1	379.508	2.192	50	30		GEEAMO
Cc1c(CNCc2cccc(C[N@H+]3CCC[C@@H](C(N)=O)C3)c2)cc(C#N)n1C	ZINC000108421133	570988333	/nfs/dbraw/zinc/98/83/33/570988333.db2.gz	WGYNLWHQLXCCTQ-LJQANCHMSA-N	1	1	379.508	2.192	50	30		GEEAMO
C=CCn1c(=O)c2c(nc3n2CC(C)=[NH+]N3Cc2cc(C)ccc2C)n(C)c1=O	ZINC000008725121	221052439	/nfs/dbraw/zinc/05/24/39/221052439.db2.gz	JFJAHAZLYOZORG-UHFFFAOYSA-N	1	1	392.463	2.096	50	30		GEEAMO
COc1cccc(C[N@@H+]2CCN(c3ccnc(OC)c3C#N)C[C@@H]2CCO)c1	ZINC000072434412	136170301	/nfs/dbraw/zinc/17/03/01/136170301.db2.gz	MHQARMPDABPQMI-KRWDZBQOSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cccc(C[N@H+]2CCN(c3ccnc(OC)c3C#N)C[C@@H]2CCO)c1	ZINC000072434412	136170302	/nfs/dbraw/zinc/17/03/02/136170302.db2.gz	MHQARMPDABPQMI-KRWDZBQOSA-N	1	1	382.464	2.044	50	30		GEEAMO
Cc1ccc(C[N@@H+]2CC[C@H](CN(C)CC(=O)N(CCC#N)CCC#N)C2)s1	ZINC000328593529	533949315	/nfs/dbraw/zinc/94/93/15/533949315.db2.gz	FFSRLRQSRLAAAN-GOSISDBHSA-N	1	1	387.553	2.466	50	30		GEEAMO
C=C(C)C[N@@H+](C)Cc1ccc(OC[C@H](O)CN2CCN(CC)CC2)c(OC)c1	ZINC000020256229	518592563	/nfs/dbraw/zinc/59/25/63/518592563.db2.gz	SSMWNEBWAWQRFL-HXUWFJFHSA-N	1	1	391.556	2.080	50	30		GEEAMO
C=C(C)C[N@H+](C)Cc1ccc(OC[C@H](O)CN2CCN(CC)CC2)c(OC)c1	ZINC000020256229	518592569	/nfs/dbraw/zinc/59/25/69/518592569.db2.gz	SSMWNEBWAWQRFL-HXUWFJFHSA-N	1	1	391.556	2.080	50	30		GEEAMO
C=CCNC(=O)N1CC[NH+]([C@@H](C(=O)N2CCCC[C@@H]2C)C2CCCC2)CC1	ZINC000036310801	518904478	/nfs/dbraw/zinc/90/44/78/518904478.db2.gz	GAZFECPSAQCEID-PKOBYXMFSA-N	1	1	376.545	2.459	50	30		GEEAMO
O=[N+]([O-])c1cc(/C=N/n2cnnc2)ccc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000055183033	527326270	/nfs/dbraw/zinc/32/62/70/527326270.db2.gz	PLZMUNGGLHLHHW-YDZHTSKRSA-N	1	1	391.435	2.391	50	30		GEEAMO
C=CCN1CC[C@@]2(CN(Cc3snnc3C(C)C)CC[N@H+]2C)CCC1=O	ZINC000107417473	570233568	/nfs/dbraw/zinc/23/35/68/570233568.db2.gz	JPRJYWAJNOZIMC-LJQANCHMSA-N	1	1	377.558	2.346	50	30		GEEAMO
Cc1oc(NC(=O)CN2CC[NH+](CCOc3ccccc3)CC2)c(C#N)c1C	ZINC000036646722	570782364	/nfs/dbraw/zinc/78/23/64/570782364.db2.gz	SFQOLCSUBOHODT-UHFFFAOYSA-N	1	1	382.464	2.403	50	30		GEEAMO
C=CC[N@H+]1CCC[C@H]1C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1	ZINC000065433831	571000650	/nfs/dbraw/zinc/00/06/50/571000650.db2.gz	XXDPJQDRWSQGKI-IBGZPJMESA-N	1	1	379.464	2.128	50	30		GEEAMO
O=[N+]([O-])c1cc(C=Nn2cnnc2)ccc1N1CC[NH+](Cc2ccccc2)CC1	ZINC000252624350	571037662	/nfs/dbraw/zinc/03/76/62/571037662.db2.gz	PLZMUNGGLHLHHW-UHFFFAOYSA-N	1	1	391.435	2.391	50	30		GEEAMO
CC(=C1C(=O)c2ccccc2C1=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1	ZINC000004144996	220687192	/nfs/dbraw/zinc/68/71/92/220687192.db2.gz	IUNYCMGZZLPIHD-UHFFFAOYSA-N	1	1	381.476	2.145	50	30		GEEAMO
C=CCN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1cccc(C)c1)c3=O	ZINC000008706301	221050264	/nfs/dbraw/zinc/05/02/64/221050264.db2.gz	BZJKKKIQDGWFPB-OAHLLOKOSA-N	1	1	392.463	2.196	50	30		GEEAMO
C=CCN1[NH+]=C(C)[C@@H](C)n2c3c(nc21)n(C)c(=O)n(Cc1ccccc1C)c3=O	ZINC000008724575	221052975	/nfs/dbraw/zinc/05/29/75/221052975.db2.gz	OQUMPFIEEVBXQJ-OAHLLOKOSA-N	1	1	392.463	2.196	50	30		GEEAMO
Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)CC(=O)N(CCC#N)CCC#N)C2)s1	ZINC000328593530	533940924	/nfs/dbraw/zinc/94/09/24/533940924.db2.gz	FFSRLRQSRLAAAN-SFHVURJKSA-N	1	1	387.553	2.466	50	30		GEEAMO
COc1ccc(F)cc1S(=O)(=O)NCC#CC[N@@H+](C)Cc1ccccc1	ZINC000090590663	524326949	/nfs/dbraw/zinc/32/69/49/524326949.db2.gz	XZXLCLADPGDVPO-UHFFFAOYSA-N	1	1	376.453	2.248	50	30		GEEAMO
Cc1noc([C@@H]2CCCN2C(=O)NCC2([NH+]3CCOCC3)CCCCC2)n1	ZINC000329431895	570261606	/nfs/dbraw/zinc/26/16/06/570261606.db2.gz	IQOMSSWIPOKOQA-INIZCTEOSA-N	1	1	377.489	2.464	50	30		GEEAMO
C=CC[NH+]1CCN(CCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC1	ZINC000019795198	212106507	/nfs/dbraw/zinc/10/65/07/212106507.db2.gz	KRGDGOQWQAELCO-UHFFFAOYSA-N	1	1	380.488	2.269	50	30		GEEAMO
C=C(C)C[N@@H+](CC)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1	ZINC000019839337	518599738	/nfs/dbraw/zinc/59/97/38/518599738.db2.gz	QCPHFZJUNQTENZ-FQEVSTJZSA-N	1	1	391.556	2.080	50	30		GEEAMO
C=C(C)C[N@H+](CC)Cc1ccc(OC)c(OC[C@@H](O)CN2CCN(C)CC2)c1	ZINC000019839337	518599740	/nfs/dbraw/zinc/59/97/40/518599740.db2.gz	QCPHFZJUNQTENZ-FQEVSTJZSA-N	1	1	391.556	2.080	50	30		GEEAMO
C=CCNC(=O)N1CC[NH+]([C@H](C(=O)N2CCCC[C@H]2C)C2CCCC2)CC1	ZINC000036310802	518905062	/nfs/dbraw/zinc/90/50/62/518905062.db2.gz	GAZFECPSAQCEID-MJGOQNOKSA-N	1	1	376.545	2.459	50	30		GEEAMO
COc1ccc(C(=[NH2+])NOC(=O)c2cc(OC)c(OC)cc2OC)cc1OC	ZINC000004270861	523370722	/nfs/dbraw/zinc/37/07/22/523370722.db2.gz	YKGFRHAIGNQVBZ-UHFFFAOYSA-N	1	1	390.392	2.207	50	30		GEEAMO
C=CCN1CC[C@@]2(CN(CCOc3cccc(OC)c3)CC[N@H+]2C)CCC1=O	ZINC000107404083	570233133	/nfs/dbraw/zinc/23/31/33/570233133.db2.gz	FXELIXCFDASQIF-JOCHJYFZSA-N	1	1	387.524	2.259	50	30		GEEAMO
C=CCN1CC[C@@]2(C[N@H+](CCOc3cccc(OC)c3)CCN2C)CCC1=O	ZINC000107404083	570233136	/nfs/dbraw/zinc/23/31/36/570233136.db2.gz	FXELIXCFDASQIF-JOCHJYFZSA-N	1	1	387.524	2.259	50	30		GEEAMO
C=CCN1CC[C@@]2(C[N@@H+](CCOc3cccc(OC)c3)CCN2C)CCC1=O	ZINC000107404083	570233138	/nfs/dbraw/zinc/23/31/38/570233138.db2.gz	FXELIXCFDASQIF-JOCHJYFZSA-N	1	1	387.524	2.259	50	30		GEEAMO
COc1cccc(C(=O)NCCC(=O)ONC(=[NH2+])c2ccc(Cl)cc2)c1	ZINC000035672003	570411890	/nfs/dbraw/zinc/41/18/90/570411890.db2.gz	MXMPDIXBSFSLDT-UHFFFAOYSA-N	1	1	375.812	2.332	50	30		GEEAMO
N#Cc1ccc(OC[C@H](O)C[NH+]2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1	ZINC000022912796	570567062	/nfs/dbraw/zinc/56/70/62/570567062.db2.gz	AJLKFRCXOCHGSX-OAQYLSRUSA-N	1	1	393.487	2.051	50	30		GEEAMO
N#Cc1cc([N+](=O)[O-])cnc1NCCC[NH+]1CCN(Cc2ccccc2)CC1	ZINC000032830052	570844208	/nfs/dbraw/zinc/84/42/08/570844208.db2.gz	JKPASTKDGQQWGH-UHFFFAOYSA-N	1	1	380.452	2.481	50	30		GEEAMO
N#Cc1cccc(CN2CCC([N@H+]3CCC[C@H](C(=O)N4CCOCC4)C3)CC2)c1	ZINC000067847632	222163488	/nfs/dbraw/zinc/16/34/88/222163488.db2.gz	CSZOKYZLBKLWJK-NRFANRHFSA-N	1	1	396.535	2.093	50	30		GEEAMO
COCCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc(C)cc(C)c3C#N)CC2)C1	ZINC000071751520	222192574	/nfs/dbraw/zinc/19/25/74/222192574.db2.gz	ZQRGVQPNUFFOCQ-SFHVURJKSA-N	1	1	399.539	2.014	50	30		GEEAMO
C=CCOC[C@H](O)C[NH+]1CCN(c2nc(C)nc(C)c2Cc2ccccc2)CC1	ZINC000036340435	518995973	/nfs/dbraw/zinc/99/59/73/518995973.db2.gz	GGFQKJLUBJEFOC-OAQYLSRUSA-N	1	1	396.535	2.370	50	30		GEEAMO
N#Cc1cccc(-c2cccc(C(=O)NCC[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)c1	ZINC000426442529	534800338	/nfs/dbraw/zinc/80/03/38/534800338.db2.gz	KVNFCIALXDFJNK-HXUWFJFHSA-N	1	1	376.460	2.152	50	30		GEEAMO
COc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CC[NH3+])cc1OC	ZINC000019848388	525225670	/nfs/dbraw/zinc/22/56/70/525225670.db2.gz	JAYFDPAOMSETEX-GOSISDBHSA-N	1	1	382.416	2.241	50	30		GEEAMO
Cc1ccc(CN2CC[N@H+](Cc3ccc(C#CCCO)cc3)C[C@H]2CCO)o1	ZINC000104341530	570257350	/nfs/dbraw/zinc/25/73/50/570257350.db2.gz	HCSSJRHWUWVVEU-JOCHJYFZSA-N	1	1	382.504	2.391	50	30		GEEAMO
Cc1ccc(CN2CC[N@@H+](Cc3ccc(C#CCCO)cc3)C[C@H]2CCO)o1	ZINC000104341530	570257354	/nfs/dbraw/zinc/25/73/54/570257354.db2.gz	HCSSJRHWUWVVEU-JOCHJYFZSA-N	1	1	382.504	2.391	50	30		GEEAMO
Cc1ccc(C[N@@H+]2CCN(Cc3ccc(C#CCCO)cc3)C[C@H]2CCO)o1	ZINC000104341530	570257358	/nfs/dbraw/zinc/25/73/58/570257358.db2.gz	HCSSJRHWUWVVEU-JOCHJYFZSA-N	1	1	382.504	2.391	50	30		GEEAMO
Cc1ccc(C[N@H+]2CCN(Cc3ccc(C#CCCO)cc3)C[C@H]2CCO)o1	ZINC000104341530	570257360	/nfs/dbraw/zinc/25/73/60/570257360.db2.gz	HCSSJRHWUWVVEU-JOCHJYFZSA-N	1	1	382.504	2.391	50	30		GEEAMO
C=CC[N@H+]1CCC[C@@H]1C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1	ZINC000065433827	571000733	/nfs/dbraw/zinc/00/07/33/571000733.db2.gz	XXDPJQDRWSQGKI-LJQANCHMSA-N	1	1	379.464	2.128	50	30		GEEAMO
Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)N2CCn3nc(C#N)cc3C2)C1	ZINC000426548454	231239848	/nfs/dbraw/zinc/23/98/48/231239848.db2.gz	FZPWZRQOLMYPJU-QGZVFWFLSA-N	1	1	378.480	2.078	50	30		GEEAMO
Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)N2CCn3nc(C#N)cc3C2)C1	ZINC000426548453	231240321	/nfs/dbraw/zinc/24/03/21/231240321.db2.gz	FZPWZRQOLMYPJU-KRWDZBQOSA-N	1	1	378.480	2.078	50	30		GEEAMO
COc1cc(C[N@@H+]2CCN(c3ccc(C#N)cn3)C[C@H]2CCO)cc(OC)c1	ZINC000106988974	136197004	/nfs/dbraw/zinc/19/70/04/136197004.db2.gz	SSAJUSQQFFNEHF-GOSISDBHSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cc(C[N@H+]2CCN(c3ccc(C#N)cn3)C[C@H]2CCO)cc(OC)c1	ZINC000106988974	136197005	/nfs/dbraw/zinc/19/70/05/136197005.db2.gz	SSAJUSQQFFNEHF-GOSISDBHSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cc(C[N@@H+]2CCN(c3cccc(C#N)n3)C[C@H]2CCO)cc(OC)c1	ZINC000107001852	136197059	/nfs/dbraw/zinc/19/70/59/136197059.db2.gz	BVZIAUBJHFLSHA-GOSISDBHSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cc(C[N@H+]2CCN(c3cccc(C#N)n3)C[C@H]2CCO)cc(OC)c1	ZINC000107001852	136197060	/nfs/dbraw/zinc/19/70/60/136197060.db2.gz	BVZIAUBJHFLSHA-GOSISDBHSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cc(C[N@@H+]2CCN(c3ncccc3C#N)C[C@H]2CCO)cc(OC)c1	ZINC000106944975	136201655	/nfs/dbraw/zinc/20/16/55/136201655.db2.gz	NASHDHYAEHAPAC-GOSISDBHSA-N	1	1	382.464	2.044	50	30		GEEAMO
COc1cc(C[N@H+]2CCN(c3ncccc3C#N)C[C@H]2CCO)cc(OC)c1	ZINC000106944975	136201656	/nfs/dbraw/zinc/20/16/56/136201656.db2.gz	NASHDHYAEHAPAC-GOSISDBHSA-N	1	1	382.464	2.044	50	30		GEEAMO
N#Cc1cc2n(n1)CCC[N@@H+](C[C@]1(O)CCCN(CCC3CCCCC3)C1=O)C2	ZINC000067714860	222156276	/nfs/dbraw/zinc/15/62/76/222156276.db2.gz	VRBYFDHGFGWQGV-JOCHJYFZSA-N	1	1	399.539	2.284	50	30		GEEAMO
N#Cc1cc2n(n1)CCC[N@H+](C[C@]1(O)CCCN(CCC3CCCCC3)C1=O)C2	ZINC000067714860	222156279	/nfs/dbraw/zinc/15/62/79/222156279.db2.gz	VRBYFDHGFGWQGV-JOCHJYFZSA-N	1	1	399.539	2.284	50	30		GEEAMO
C#CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000048332506	518270286	/nfs/dbraw/zinc/27/02/86/518270286.db2.gz	TUULWUXMRLGJRK-NRFANRHFSA-N	1	1	399.510	2.477	50	30		GEEAMO
C#CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C(=O)NCc2ccc(C)c(F)c2)CC1	ZINC000048332506	518270294	/nfs/dbraw/zinc/27/02/94/518270294.db2.gz	TUULWUXMRLGJRK-NRFANRHFSA-N	1	1	399.510	2.477	50	30		GEEAMO
CCC[NH+]1CCN(C(Nc2cccc(C(=O)[O-])c2)=[NH+]CCCOCC)CC1	ZINC000065308258	519855175	/nfs/dbraw/zinc/85/51/75/519855175.db2.gz	WKTXLXHBRRSTFI-UHFFFAOYSA-N	1	1	376.501	2.416	50	30		GEEAMO
CN1CCC([N@@H+]2CCC[C@H](NC(=O)c3cccc(C#CC(C)(C)O)c3)C2)CC1	ZINC000011760226	523770197	/nfs/dbraw/zinc/77/01/97/523770197.db2.gz	QPZIRZOYZIXOON-FQEVSTJZSA-N	1	1	383.536	2.097	50	30		GEEAMO
CN1CCC([N@H+]2CCC[C@H](NC(=O)c3cccc(C#CC(C)(C)O)c3)C2)CC1	ZINC000011760226	523770203	/nfs/dbraw/zinc/77/02/03/523770203.db2.gz	QPZIRZOYZIXOON-FQEVSTJZSA-N	1	1	383.536	2.097	50	30		GEEAMO
N#CCc1ccc(OC[C@@H](O)CN2CC[NH+](CCOc3ccccc3)CC2)cc1	ZINC000025231097	526485576	/nfs/dbraw/zinc/48/55/76/526485576.db2.gz	PZBKTPWIBFZNKI-NRFANRHFSA-N	1	1	395.503	2.189	50	30		GEEAMO
N#CCc1ccc(OC[C@@H](O)C[NH+]2CCN(CCOc3ccccc3)CC2)cc1	ZINC000025231097	526485577	/nfs/dbraw/zinc/48/55/77/526485577.db2.gz	PZBKTPWIBFZNKI-NRFANRHFSA-N	1	1	395.503	2.189	50	30		GEEAMO
O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(C#CCO)s2)C1	ZINC000095355072	526815865	/nfs/dbraw/zinc/81/58/65/526815865.db2.gz	JSODDCBWFJCHGA-IAGOWNOFSA-N	1	1	381.501	2.224	50	30		GEEAMO
C[NH+]1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NC2CCCCC2)CC1	ZINC000004860027	570349853	/nfs/dbraw/zinc/34/98/53/570349853.db2.gz	ZYJPVFDRANCLQX-KRWDZBQOSA-N	1	1	392.507	2.438	50	30		GEEAMO
CCCCCCCC[n+]1cccc(C(=O)N2c3c(nc(N)[nH]c3=O)NC[C@@H]2C)c1	ZINC000135660009	570371534	/nfs/dbraw/zinc/37/15/34/570371534.db2.gz	VCMOOOZSVBOHRO-HNNXBMFYSA-O	1	1	399.519	2.461	50	30		GEEAMO
C#CCOC[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)Cc1ccc2c(c1)OCO2	ZINC000036102348	570538884	/nfs/dbraw/zinc/53/88/84/570538884.db2.gz	ANTNSJYXBQYNKD-IBGZPJMESA-N	1	1	383.444	2.437	50	30		GEEAMO
C=CCN1CC[C@@]2(CN(C(=O)NCc3cccs3)CC[N@@H+]2C)CCC1=O	ZINC000091604120	570984187	/nfs/dbraw/zinc/98/41/87/570984187.db2.gz	KMYBKQAHTVZKBN-LJQANCHMSA-N	1	1	376.526	2.142	50	30		GEEAMO
C=C(C)C[N@@H+](CC)[C@H]1CCc2c(c(C(=O)N3CCCN(C)CC3)nn2CC)C1	ZINC000014743772	212100385	/nfs/dbraw/zinc/10/03/85/212100385.db2.gz	RMLNBOLSMXPTHQ-SFHVURJKSA-N	1	1	387.572	2.436	50	30		GEEAMO
C=C(C)C[N@H+](CC)[C@H]1CCc2c(c(C(=O)N3CCCN(C)CC3)nn2CC)C1	ZINC000014743772	212100389	/nfs/dbraw/zinc/10/03/89/212100389.db2.gz	RMLNBOLSMXPTHQ-SFHVURJKSA-N	1	1	387.572	2.436	50	30		GEEAMO
C=CCn1ncc(C[NH+]2CCC3(CC2)c2[nH]cnc2CCN3C(=O)CC)c1C	ZINC000092037383	519290873	/nfs/dbraw/zinc/29/08/73/519290873.db2.gz	OGSNASGEKNSYQL-UHFFFAOYSA-N	1	1	382.512	2.387	50	30		GEEAMO
N#CCc1c(C#N)c(N)nc(N2CC[NH+](C/C=C\c3ccccc3)CC2)c1C#N	ZINC000035154629	526481284	/nfs/dbraw/zinc/48/12/84/526481284.db2.gz	DFDUPTBCGKNUKR-DAXSKMNVSA-N	1	1	383.459	2.309	50	30		GEEAMO
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([N@@H+](CC)CCN(CC)CC)C2	ZINC000023354099	570299959	/nfs/dbraw/zinc/29/99/59/570299959.db2.gz	MKXFBMUDFMBSCC-KRWDZBQOSA-N	1	1	375.561	2.292	50	30		GEEAMO
C=CCn1nc(C(=O)N(C)C)c2c1CC[C@H]([N@H+](CC)CCN(CC)CC)C2	ZINC000023354099	570299962	/nfs/dbraw/zinc/29/99/62/570299962.db2.gz	MKXFBMUDFMBSCC-KRWDZBQOSA-N	1	1	375.561	2.292	50	30		GEEAMO
C/C(=[NH+]\c1ccc(O)cc1)N(C)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006261814	570353178	/nfs/dbraw/zinc/35/31/78/570353178.db2.gz	AHVWNGGKDHHKKC-CPNJWEJPSA-N	1	1	392.437	2.261	50	30		GEEAMO
C=C(C)Cn1c(=O)c2c(nc3n2[C@H](C)C(C)=[NH+]N3Cc2ccccc2)n(C)c1=O	ZINC000008709885	212096191	/nfs/dbraw/zinc/09/61/91/212096191.db2.gz	BZYGSWMVJFKULO-OAHLLOKOSA-N	1	1	392.463	2.430	50	30		GEEAMO
COCCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc(C)cc(C)c3C#N)CC2)C1	ZINC000071751521	222191904	/nfs/dbraw/zinc/19/19/04/222191904.db2.gz	ZQRGVQPNUFFOCQ-GOSISDBHSA-N	1	1	399.539	2.014	50	30		GEEAMO
C=C(C)[C@@H]1CC=C(C[N@@H+]2CCc3nnc(CNC(=O)[C@@H]4CCOC4)n3CC2)CC1	ZINC000011881677	570234292	/nfs/dbraw/zinc/23/42/92/570234292.db2.gz	VIDPYZJWXTZZGJ-RTBURBONSA-N	1	1	399.539	2.092	50	30		GEEAMO
COc1ccc(C)cc1CN1CC[NH+](C[C@H](O)COc2ccc(C#N)cc2)CC1	ZINC000022777070	570545964	/nfs/dbraw/zinc/54/59/64/570545964.db2.gz	XMTLVYHVKGAZFZ-NRFANRHFSA-N	1	1	395.503	2.433	50	30		GEEAMO
CC[NH+](CC)c1ccc(N2/C(=N/C(C)=O)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000005377142	570569775	/nfs/dbraw/zinc/56/97/75/570569775.db2.gz	WEKXTEOULOHBDB-POSVEHLBSA-N	1	1	395.550	2.463	50	30		GEEAMO
Cc1cnc(CN2C[C@@]3(CCC[N@H+](Cc4cc(C#N)n(C)c4)C3)CCC2=O)cn1	ZINC000091736508	570927405	/nfs/dbraw/zinc/92/74/05/570927405.db2.gz	CLDYVFKIBGJADB-QFIPXVFZSA-N	1	1	392.507	2.400	50	30		GEEAMO
C=CCn1cc(C[N@@H+]2CCC[C@H](c3nnc(CN4CCCC4)n3C)C2)c(C)n1	ZINC000072429968	570972017	/nfs/dbraw/zinc/97/20/17/570972017.db2.gz	JYBVCXUWPHIXIX-SFHVURJKSA-N	1	1	383.544	2.481	50	30		GEEAMO
C=CCOC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)C	ZINC000036159682	518996229	/nfs/dbraw/zinc/99/62/29/518996229.db2.gz	OPTXDYBTVMRHNP-CYBMUJFWSA-N	1	1	377.510	2.247	50	30		GEEAMO
C=CCOC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)C(C)C	ZINC000036159682	518996236	/nfs/dbraw/zinc/99/62/36/518996236.db2.gz	OPTXDYBTVMRHNP-CYBMUJFWSA-N	1	1	377.510	2.247	50	30		GEEAMO
N#Cc1cccc(-c2cccc(C(=O)NCC[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1	ZINC000426442528	534800096	/nfs/dbraw/zinc/80/00/96/534800096.db2.gz	KVNFCIALXDFJNK-FQEVSTJZSA-N	1	1	376.460	2.152	50	30		GEEAMO
N#CC1CCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1	ZINC000095497261	526440661	/nfs/dbraw/zinc/44/06/61/526440661.db2.gz	HJLXIRNGDAFVIC-IBGZPJMESA-N	1	1	375.538	2.211	50	30		GEEAMO
O=C(c1ccccc1)C1C(=O)C(=O)N(CCC[NH2+]CCO)[C@@H]1c1ccccc1	ZINC000019932467	527670901	/nfs/dbraw/zinc/67/09/01/527670901.db2.gz	AGDGUZBFINILBQ-LJQANCHMSA-N	1	1	380.444	2.237	50	30		GEEAMO
N#Cc1cc2n(n1)CCCN(C(=O)N[C@H]1CCC[N@@H+](Cc3ccc(F)cc3)C1)C2	ZINC000584897264	570893492	/nfs/dbraw/zinc/89/34/92/570893492.db2.gz	CRWKNYVYKQJROI-SFHVURJKSA-N	1	1	396.470	2.474	50	30		GEEAMO
N#Cc1cc2n(n1)CCCN(C(=O)N[C@H]1CCC[N@H+](Cc3ccc(F)cc3)C1)C2	ZINC000584897264	570893493	/nfs/dbraw/zinc/89/34/93/570893493.db2.gz	CRWKNYVYKQJROI-SFHVURJKSA-N	1	1	396.470	2.474	50	30		GEEAMO
C[C@H](Oc1ccc(C#N)cc1)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1	ZINC000012979149	221252186	/nfs/dbraw/zinc/25/21/86/221252186.db2.gz	KWXFXJZPLMUZBC-KRWDZBQOSA-N	1	1	379.460	2.474	50	30		GEEAMO
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC#CC[N@@H+]1CCc2ccccc2C1	ZINC000077197648	222275038	/nfs/dbraw/zinc/27/50/38/222275038.db2.gz	YYRVRSQOXNTYDT-JTSKRJEESA-N	1	1	376.456	2.393	50	30		GEEAMO
C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCC#CC[N@H+]1CCc2ccccc2C1	ZINC000077197648	222275041	/nfs/dbraw/zinc/27/50/41/222275041.db2.gz	YYRVRSQOXNTYDT-JTSKRJEESA-N	1	1	376.456	2.393	50	30		GEEAMO
C=C(C)C[NH+]1CCN(C(=O)c2cc3cc([N+](=O)[O-])cc(OC)c3oc2=O)CC1	ZINC000054178073	518605147	/nfs/dbraw/zinc/60/51/47/518605147.db2.gz	HXPCRNXEVXIHMA-UHFFFAOYSA-N	1	1	387.392	2.044	50	30		GEEAMO
C=CCOC(=O)c1c(N)n(CCC[NH+]2CCOCC2)c2nc3ccccc3nc21	ZINC000020057938	518977739	/nfs/dbraw/zinc/97/77/39/518977739.db2.gz	JCRMABIDOVADEV-UHFFFAOYSA-N	1	1	395.463	2.232	50	30		GEEAMO
C=CCOC[C@@H](O)C[N@@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000036159911	518982841	/nfs/dbraw/zinc/98/28/41/518982841.db2.gz	IKSDRTVJABTWLQ-ZDUSSCGKSA-N	1	1	377.510	2.249	50	30		GEEAMO
C=CCOC[C@@H](O)C[N@H+](CCC)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000036159911	518982846	/nfs/dbraw/zinc/98/28/46/518982846.db2.gz	IKSDRTVJABTWLQ-ZDUSSCGKSA-N	1	1	377.510	2.249	50	30		GEEAMO
CCCCCCCCNc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1	ZINC000100339392	528130919	/nfs/dbraw/zinc/13/09/19/528130919.db2.gz	ZIYSVQNVFRGYSP-UHFFFAOYSA-N	1	1	378.521	2.317	50	30		GEEAMO
C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H]([N@@H+](C)Cc1ccco1)C2	ZINC000014732155	570245544	/nfs/dbraw/zinc/24/55/44/570245544.db2.gz	SJEXFFXTTRIQKQ-INIZCTEOSA-N	1	1	384.480	2.124	50	30		GEEAMO