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+](C)[C@@H](C)CC(c1ccccc1)(c1ccccc1)[C@@H](CC)OC(C)=O	ZINC000028011691	209180856	/nfs/dbraw/zinc/18/08/56/209180856.db2.gz	MFVMWISSDSWSGI-GBXCKJPGSA-N	1	0	379.544	5.211	1	30		GKEFRO
Cc1csc(NC(=NC2CCCCC2)Nc2cc(C)[nH+]c3ccccc23)n1	ZINC000026153500	212157711	/nfs/dbraw/zinc/15/77/11/212157711.db2.gz	XVALUKKBZIHILV-UHFFFAOYSA-N	1	0	379.533	5.330	1	30		GKEFRO
Cc1cc(NC(=NC2CCCCCCC2)Nc2nccs2)c2ccccc2[nH+]1	ZINC000095787424	212153166	/nfs/dbraw/zinc/15/31/66/212153166.db2.gz	IGVDAIQOVHTBCQ-UHFFFAOYSA-N	1	0	393.560	5.802	1	30		GKEFRO
C=C1CC[C@H]([NH3+])C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C	ZINC000082149741	212149516	/nfs/dbraw/zinc/14/95/16/212149516.db2.gz	KBTODVOGUWIIOU-YRZJJWOYSA-N	1	0	383.664	7.585	1	30		GKEFRO
C=CC[N@@H+](C)[C@H](C)CC(c1ccccc1)(c1ccccc1)[C@H](CC)OC(C)=O	ZINC000028011688	212108578	/nfs/dbraw/zinc/10/85/78/212108578.db2.gz	MFVMWISSDSWSGI-YKSBVNFPSA-N	1	0	379.544	5.211	1	30		GKEFRO
CCCCCCC[n+]1c(/C=C/c2ccc(N(C)C)cc2)sc2ccccc21	ZINC000038142960	205035586	/nfs/dbraw/zinc/03/55/86/205035586.db2.gz	IBPXFSDEYMBACG-UHFFFAOYSA-N	1	0	379.593	6.396	1	30		GKEFRO
CCCCCCC[N+]12CCC(CC1)C(=O)[C@H]2CCCc1ccc(Cl)cc1	ZINC000043260536	205081393	/nfs/dbraw/zinc/08/13/93/205081393.db2.gz	KPZIEEKDZJQRSO-YAQMXYOYSA-N	1	0	376.992	5.811	1	30		GKEFRO
CCCCCCCCCCCCCC[C@@H](CO)[NH2+]CCCCCCCCCC	ZINC000043552561	205083430	/nfs/dbraw/zinc/08/34/30/205083430.db2.gz	JTKSGKBGLRNWKD-SANMLTNESA-N	1	0	397.732	8.169	1	30		GKEFRO
CC1C[C@H]2C(=NO)[C@@H](C1)[C@@H](c1ccc(Cl)cc1)[NH2+][C@@H]2c1ccc(Cl)cc1	ZINC000049033708	205125299	/nfs/dbraw/zinc/12/52/99/205125299.db2.gz	WQMRPCPDTDGHQH-HCLOSCIASA-N	1	0	389.326	5.872	1	30		GKEFRO
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1ccc(Cl)cc1)[NH2+][C@H]2c1ccc(Cl)cc1	ZINC000071318956	205280733	/nfs/dbraw/zinc/28/07/33/205280733.db2.gz	UELIZAHUQSLFEK-JVSBHGNQSA-N	1	0	389.326	5.798	1	30		GKEFRO
C/C(=N\OCC[NH3+])c1ccc(Nc2c3c(Cl)coc3nc3ccccc32)cc1	ZINC000072109227	205305351	/nfs/dbraw/zinc/30/53/51/205305351.db2.gz	SGHMFOPFSUYWJH-LGJNPRDNSA-N	1	0	394.862	5.077	1	30		GKEFRO
CCCCCCCCCCCCCCCCCCOC(=O)CN(C)C(N)=[NH2+]	ZINC000096908714	205575625	/nfs/dbraw/zinc/57/56/25/205575625.db2.gz	UOQVQYQQNGJRJM-UHFFFAOYSA-N	1	0	383.621	5.616	1	30		GKEFRO
CC1C[C@H]2C(=NO)[C@@H](C1)[C@@H](c1ccc(Cl)cc1)[NH2+][C@H]2c1ccc(Cl)cc1	ZINC000169670780	205831877	/nfs/dbraw/zinc/83/18/77/205831877.db2.gz	WQMRPCPDTDGHQH-HMFFIGPNSA-N	1	0	389.326	5.872	1	30		GKEFRO
CCCCCC#CC[n+]1ccn(CCCCCCCCC[Si](C)(C)C)c1C	ZINC000195396108	206226558	/nfs/dbraw/zinc/22/65/58/206226558.db2.gz	UXZVVHMEQIYWJC-UHFFFAOYSA-N	1	0	389.724	6.737	1	30		GKEFRO
CCCCCCCCCCCCCC[C@H](C[NH2+]CC)NC(=O)OC(C)(C)C	ZINC000038152007	207557401	/nfs/dbraw/zinc/55/74/01/207557401.db2.gz	DXLPUAFXMFCWAA-OAQYLSRUSA-N	1	0	384.649	6.580	1	30		GKEFRO
Cc1c2cc[nH]c2ccc1Nc1c(C#N)cncc1-c1ccc(C[NH+](C)C)cc1	ZINC000045323181	207653910	/nfs/dbraw/zinc/65/39/10/207653910.db2.gz	DEAHYBLYNUJAIJ-UHFFFAOYSA-N	1	0	381.483	5.215	1	30		GKEFRO
CCCCCCC[n+]1ccc(/C=C/c2c(C)[nH]c3ccccc23)c2ccccc21	ZINC000072121401	207975967	/nfs/dbraw/zinc/97/59/67/207975967.db2.gz	GQKYDQANSJEMTD-UHFFFAOYSA-O	1	0	383.559	7.058	1	30		GKEFRO
CCCCCCCCCCCCCCCC[n+]1ccc(-c2ccncc2)cc1	ZINC000084687634	208096062	/nfs/dbraw/zinc/09/60/62/208096062.db2.gz	DJHSSLQDJMQTFV-UHFFFAOYSA-N	1	0	381.628	7.517	1	30		GKEFRO
CC(C)C[P+](Cc1ccc(C(=O)c2ccccc2)cc1)(CC(C)C)CC(C)C	ZINC000084709186	208098057	/nfs/dbraw/zinc/09/80/57/208098057.db2.gz	JMLDHYQQRQJRMU-UHFFFAOYSA-N	1	0	397.563	7.403	1	30		GKEFRO
CCCCCCCCCCCCCC[C@H](CO)[NH2+]CCCCCCCCCC	ZINC000043552563	221949236	/nfs/dbraw/zinc/94/92/36/221949236.db2.gz	JTKSGKBGLRNWKD-AREMUKBSSA-N	1	0	397.732	8.169	1	30		GKEFRO
C[C@@]12CCC[C@@H](/C1=N\O)[C@@H](c1ccc(Cl)cc1)[NH2+][C@@H]2c1ccc(Cl)cc1	ZINC000058537954	222053607	/nfs/dbraw/zinc/05/36/07/222053607.db2.gz	NRZOLJOHWDCBKY-QBVSUAIGSA-N	1	0	389.326	6.016	1	30		GKEFRO
CCCCCCCCCCCn1c(N)[nH+]cc1-c1ccc(-c2ccccc2)cc1	ZINC000066113382	222137105	/nfs/dbraw/zinc/13/71/05/222137105.db2.gz	GPLVONGJNMXTEQ-UHFFFAOYSA-N	1	0	389.587	7.330	1	30		GKEFRO
CCCCCCCCCCCCc1ccc(C(=O)N2CCC[C@H]2C(N)=[NH2+])cc1	ZINC000068249031	222171503	/nfs/dbraw/zinc/17/15/03/222171503.db2.gz	DHYWGRWKWDDFMU-QFIPXVFZSA-N	1	0	385.596	5.691	1	30		GKEFRO
CCCCCCC[N+](CC)(CC)C/C=C\Cc1ccc(Br)cc1	ZINC000043705780	717129442	/nfs/dbraw/zinc/12/94/42/717129442.db2.gz	ONFVZFLVMZSBPU-BENRWUELSA-N	1	0	381.422	6.375	1	30		GKEFRO
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc2c(c1)OCO2	ZINC000169337911	717155973	/nfs/dbraw/zinc/15/59/73/717155973.db2.gz	QCURCFTYLWXYJR-UHFFFAOYSA-N	1	0	376.605	6.693	1	30		GKEFRO
CCCCCCCCCCCCCCCCSCCC[N@@+]1(C)C=CC(=O)C1	ZINC000253635089	717166226	/nfs/dbraw/zinc/16/62/26/717166226.db2.gz	BUMIDJQZNWSNQS-VWLOTQADSA-O	1	0	396.705	7.964	1	30		GKEFRO
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@@]2(CCC1CCCC1)[C@@H]([NH3+])C=O	ZINC000085544997	291143292	/nfs/dbraw/zinc/14/32/92/291143292.db2.gz	WUXSKPQNLRGYCH-BYGPWDBASA-N	1	0	397.647	6.288	1	30	biogenic,in-vitro	GKEFRO
CC1=C2C[C@]34CC[C@H]5CCCC[C@]3(CC#CC[C@@H]3CCC[C@@]36C[N@@H+]6C4)[C@@]25CC1	ZINC000085548188	291145978	/nfs/dbraw/zinc/14/59/78/291145978.db2.gz	ZBMKLGHAVKTDIG-DWDJMIJKSA-N	1	0	375.600	6.095	1	30	biogenic,in-vitro	GKEFRO
CC(=O)/C(=C\c1ccccc1)Oc1ccccc1OCC[NH+](C(C)C)C(C)C	ZINC000001846809	212258440	/nfs/dbraw/zinc/25/84/40/212258440.db2.gz	CQPLCYXDSOOQBU-JJIBRWJFSA-N	1	0	381.516	5.193	1	30		GKEFRO
CCc1cc(NC(=NC2CCCCC2)Nc2nccs2)c2ccccc2[nH+]1	ZINC000029568977	212158452	/nfs/dbraw/zinc/15/84/52/212158452.db2.gz	AOJYZUCNDCIVNW-UHFFFAOYSA-N	1	0	379.533	5.466	1	30		GKEFRO
C(#Cc1ccccc1)C[NH+]1CCC(COC(c2ccccc2)c2ccccc2)CC1	ZINC000025996124	209175715	/nfs/dbraw/zinc/17/57/15/209175715.db2.gz	SKNKVBFJWGCXGI-UHFFFAOYSA-N	1	0	395.546	5.556	1	30		GKEFRO
CCCCCCC[NH+]1CCC(CC(=O)Nc2ccnc3ccc(OC)cc32)CC1	ZINC000049722911	205130302	/nfs/dbraw/zinc/13/03/02/205130302.db2.gz	YXYZAMVHEKACCK-UHFFFAOYSA-N	1	0	397.563	5.254	1	30		GKEFRO
CCCCNC(=[NH2+])Nc1cc(C)c2[nH]c3ccc(Br)cc3c2c1C	ZINC000103235141	205643051	/nfs/dbraw/zinc/64/30/51/205643051.db2.gz	GSPDSHPAQRCAJT-UHFFFAOYSA-N	1	0	387.325	5.036	1	30		GKEFRO
CCCCCCCCc1cn(-c2ccc(CC[N+]3(C)CCCCC3)cc2)nn1	ZINC000103275271	205644658	/nfs/dbraw/zinc/64/46/58/205644658.db2.gz	MXEYHHBXLYBWMC-UHFFFAOYSA-N	1	0	383.604	5.343	1	30		GKEFRO
C=CC[N@@H+](C)[C@H](C)CC(c1ccccc1)(c1ccccc1)[C@@H](CC)OC(C)=O	ZINC000028011683	206255719	/nfs/dbraw/zinc/25/57/19/206255719.db2.gz	MFVMWISSDSWSGI-HYBUGGRVSA-N	1	0	379.544	5.211	1	30		GKEFRO
CCCCCCCCCCCCC/C=C(/COCC[N+](C)(C)C)OC(C)=O	ZINC000073331527	211127094	/nfs/dbraw/zinc/12/70/94/211127094.db2.gz	DZLDIUUZEFZTSI-NKFKGCMQSA-N	1	0	384.625	5.857	1	30		GKEFRO
Cc1ccc(NC(=O)c2sc3cc(C(=[NH2+])NC(C)C)ccc3c2Cl)cc1	ZINC000028471790	207342011	/nfs/dbraw/zinc/34/20/11/207342011.db2.gz	PAXMFEXPBDASPC-UHFFFAOYSA-N	1	0	385.920	5.229	1	30		GKEFRO
C[NH+](C)[C@H]1CCN(c2c3cc(C(C)(C)C)oc3c(C#N)cc2-c2ccccc2)C1	ZINC000064527033	207800834	/nfs/dbraw/zinc/80/08/34/207800834.db2.gz	YAEDMLPBRZKGDX-IBGZPJMESA-N	1	0	387.527	5.409	1	30		GKEFRO
CCCCCCCCCCCCn1cc(CCC[N+](C)(C)C)c2ccccc21	ZINC000084728991	208098309	/nfs/dbraw/zinc/09/83/09/208098309.db2.gz	USCCGPHMBAFFNA-UHFFFAOYSA-N	1	0	385.660	7.201	1	30		GKEFRO
CCCCCCCCNC(=[NH2+])c1ccc(N2CCN(c3ccccc3)CC2)cc1	ZINC000073199849	136171455	/nfs/dbraw/zinc/17/14/55/136171455.db2.gz	SIBKPLZJHMBVAO-UHFFFAOYSA-N	1	0	392.591	5.289	1	30		GKEFRO
c1ccc(CON=C2[C@@H]3CCC[C@H]2[C@@H](c2ccccc2)[NH2+][C@@H]3c2ccccc2)cc1	ZINC000058538311	222054291	/nfs/dbraw/zinc/05/42/91/222054291.db2.gz	HLFBNIXRCOXEDP-XDZVQPMWSA-N	1	0	396.534	6.061	1	30		GKEFRO
CCCCCCCCCCCCc1ccc(C(=O)NC2(C(N)=[NH2+])CCC2)cc1	ZINC000071296297	222180627	/nfs/dbraw/zinc/18/06/27/222180627.db2.gz	GUBMHHLXRJCGKC-UHFFFAOYSA-N	1	0	385.596	5.738	1	30		GKEFRO
CON=C1[C@@H]2CCC[C@H]1[C@@H](c1cccc(Cl)c1)[NH2+][C@H]2c1cccc(Cl)c1	ZINC000071315906	222180651	/nfs/dbraw/zinc/18/06/51/222180651.db2.gz	YSWFSKJDEDADNR-JVSBHGNQSA-N	1	0	389.326	5.798	1	30		GKEFRO
CCCCCCCCCC[n+]1ccc(/C=C/c2c(C)[nH]c3ccccc23)cc1	ZINC000072102790	222205246	/nfs/dbraw/zinc/20/52/46/222205246.db2.gz	BRTZIVCNKZVPIA-UHFFFAOYSA-O	1	0	375.580	7.075	1	30		GKEFRO
C[C@H]1C(=NOCc2ccccc2)[C@@H](C)[C@H](c2ccccc2)[NH2+][C@H]1c1ccccc1	ZINC000195502646	222567254	/nfs/dbraw/zinc/56/72/54/222567254.db2.gz	BGAQWBJJHICOJW-KYVQNOJUSA-N	1	0	384.523	5.917	1	30		GKEFRO
CCCCCCCCCC[n+]1cc(Br)cc(Br)c1	ZINC000038142125	520024792	/nfs/dbraw/zinc/02/47/92/520024792.db2.gz	ICIPFLJBHJBMQJ-UHFFFAOYSA-N	1	0	378.172	5.640	1	30		GKEFRO
CCCCCCCCCCCc1ccc(/C=c2\[nH]/c(=C3/C=CC=[NH+]3)cc2OC)[nH]1	ZINC000100303331	520017254	/nfs/dbraw/zinc/01/72/54/520017254.db2.gz	ISFCPXILUVJVOC-KYGJEJSHSA-N	1	0	393.575	5.002	1	30	in-vitro	GKEFRO
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(F)cc1	ZINC000066129098	717133204	/nfs/dbraw/zinc/13/32/04/717133204.db2.gz	IGFHCKWGBWALHX-UHFFFAOYSA-N	1	0	378.640	7.883	3	30		GKEFRO
CCCCCCCCCCCCS(=O)(=O)Nc1ccc([N+](C)(C)C)cc1	ZINC000095596691	717139307	/nfs/dbraw/zinc/13/93/07/717139307.db2.gz	PFKKSIBQJVRCBO-UHFFFAOYSA-N	1	0	383.622	5.546	1	30		GKEFRO
CCCCCCCCCCCCCCCCCC(=O)N1CCC[N+](C)(C)CC1	ZINC000095594837	717139317	/nfs/dbraw/zinc/13/93/17/717139317.db2.gz	YAMGTVQRDSTCCM-UHFFFAOYSA-N	1	0	395.696	6.557	1	30		GKEFRO
CCCCCCCCCCCCCCCC(=O)N(C)CCC[N+](C)(C)CC	ZINC000096906284	717141574	/nfs/dbraw/zinc/14/15/74/717141574.db2.gz	YSCFHUKEOCPVNZ-UHFFFAOYSA-N	1	0	383.685	6.413	1	30		GKEFRO
CCCCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000101548039	717145198	/nfs/dbraw/zinc/14/51/98/717145198.db2.gz	LWVFCAZIUFBONI-MKPDMIMOSA-N	1	0	386.688	7.882	1	30		GKEFRO
CCCCCCCCC#Cc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000103040581	717146120	/nfs/dbraw/zinc/14/61/20/717146120.db2.gz	UOTXEFNGXOLCAH-MKPDMIMOSA-N	1	0	382.656	7.301	1	30		GKEFRO
CCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000102975937	717146142	/nfs/dbraw/zinc/14/61/42/717146142.db2.gz	JFQFBPSCFKLPNX-PFRSKWCLSA-N	1	0	387.591	6.074	1	30		GKEFRO
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCCC4)C[C@H]13)[C@]2([C@@H]([NH3+])C=O)C1CCCCC1	ZINC000085545001	291143300	/nfs/dbraw/zinc/14/33/00/291143300.db2.gz	WEJZVJWSUUPTEU-NVEHXTNMSA-N	1	0	383.620	5.898	1	30	biogenic,in-vitro	GKEFRO
CC(C)Cc1cc(NC(=NC(C)(C)C)Nc2nccs2)c2ccccc2[nH+]1	ZINC000001842103	209229952	/nfs/dbraw/zinc/22/99/52/209229952.db2.gz	OEZLBYGFUZUHJL-UHFFFAOYSA-N	1	0	381.549	5.378	1	30		GKEFRO
C=C(c1ccccc1)[C@@]1(O)CCCC[C@H]1[NH2+]C(c1ccccc1)c1ccccc1	ZINC000001613229	209169795	/nfs/dbraw/zinc/16/97/95/209169795.db2.gz	JHDLRFWEWSYBQD-VPUSJEBWSA-N	1	0	383.535	5.753	1	30		GKEFRO
CC(C)C[C@@H]1CCC[N@@H+]1CCc1ccc2cc(-c3ccc(C#N)cc3)ccc2c1	ZINC000028901257	204883657	/nfs/dbraw/zinc/88/36/57/204883657.db2.gz	RHFSRDCQLJSCGQ-MHZLTWQESA-N	1	0	382.551	6.431	1	30		GKEFRO
CCCCCCCCN1CCc2c1c(NC(=O)C(C)(C)C)c(C)c(C[NH3+])c2C	ZINC000044418773	205084623	/nfs/dbraw/zinc/08/46/23/205084623.db2.gz	PWXXQEOPDLLFCY-UHFFFAOYSA-N	1	0	387.612	5.470	1	30		GKEFRO
C[N@H+]1[C@@H]2CC[C@H]1CC(=NO[C@@H](c1ccccc1)c1ccc(Br)cc1)C2	ZINC000049071192	205125765	/nfs/dbraw/zinc/12/57/65/205125765.db2.gz	AYCKYQZPQHKMFZ-HBMCJLEFSA-N	1	0	399.332	5.168	1	30		GKEFRO
O=C1C(c2ccccc2)=C(c2ccccc2)[C@@H]2C3CCC(CC3)[C@@]12[NH+]1CCCCC1	ZINC000169345557	205830100	/nfs/dbraw/zinc/83/01/00/205830100.db2.gz	UYPGLQLIUCDFLS-GCTYLQHFSA-N	1	0	397.562	5.841	1	30		GKEFRO
C#Cc1ccc(/C(=C(\CC)c2ccccc2)c2ccc(OCC[NH+](C)C)cc2)cc1	ZINC000013740236	206246881	/nfs/dbraw/zinc/24/68/81/206246881.db2.gz	FMIDNPGEFXIEDY-DQSJHHFOSA-N	1	0	395.546	5.977	1	30		GKEFRO
C=CC[N+](C)(C)CCCN(C)C(=O)CCCCCCCCCCCCCCC	ZINC000096906282	211351373	/nfs/dbraw/zinc/35/13/73/211351373.db2.gz	PAHGCZLYLMIQHX-UHFFFAOYSA-N	1	0	395.696	6.579	1	30		GKEFRO
CCOc1ccc([C@@H]2[NH2+][C@H](c3ccc(OCC)cc3)[C@@H](C)C(=NOC)[C@H]2C)cc1	ZINC000073169580	211125891	/nfs/dbraw/zinc/12/58/91/211125891.db2.gz	QZGBZHRDCMCFBY-ZWYOGTPXSA-N	1	0	396.531	5.144	1	30		GKEFRO
CCCCCCCOc1c(OC)cc(N[C@@H](C)CCC[NH3+])c2nccc(C)c21	ZINC000043409484	207629435	/nfs/dbraw/zinc/62/94/35/207629435.db2.gz	JEZOYMOMFCAUNP-SFHVURJKSA-N	1	0	387.568	5.440	1	30		GKEFRO
CCCCCCCCCCCCCCS(=O)(=O)NCCC[N+](C)(C)CC	ZINC000096932777	208328716	/nfs/dbraw/zinc/32/87/16/208328716.db2.gz	WZHHNEPWZHEYMN-UHFFFAOYSA-N	1	0	391.686	5.093	1	30		GKEFRO
C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)Cc2c(-c4ccc(CC#N)cc4)n[nH]c2-3)CC1	ZINC000101106220	208387458	/nfs/dbraw/zinc/38/74/58/208387458.db2.gz	RVPBZENCLAAXGH-VVOJOOEHSA-N	1	0	396.538	5.382	1	30		GKEFRO
CCCCCCCCCCCCCCn1c(N)[nH+]cc1-c1ccc(Cl)cc1	ZINC000066103336	222138062	/nfs/dbraw/zinc/13/80/62/222138062.db2.gz	CIOGMKPOICVPSN-UHFFFAOYSA-N	1	0	390.015	7.487	1	30		GKEFRO
CCCCCC#CC[n+]1ccn(CCCCCCCCCCCCCC)c1C	ZINC000066157413	222138924	/nfs/dbraw/zinc/13/89/24/222138924.db2.gz	PCOCQKWWEMKKOB-UHFFFAOYSA-N	1	0	387.676	7.369	1	30		GKEFRO
CCCCCCCC(=O)c1ncc(CCCCSCCC[N+](C)(C)C)o1	ZINC000073240850	222269257	/nfs/dbraw/zinc/26/92/57/222269257.db2.gz	OPKRCSLXYVBUAL-UHFFFAOYSA-N	1	0	383.622	5.370	1	30		GKEFRO
CCCCCCCCCCCC(=O)c1ncc(CCSCCC[NH+](C)C)o1	ZINC000073224723	222269329	/nfs/dbraw/zinc/26/93/29/222269329.db2.gz	OLOGXUKQTYMKAA-UHFFFAOYSA-N	1	0	396.641	6.006	1	30		GKEFRO
CCCCCCCC(=O)c1ncc(CCCCCCSCCC[NH+](C)C)o1	ZINC000082158092	222311236	/nfs/dbraw/zinc/31/12/36/222311236.db2.gz	YDOUOQIEQWYGHW-UHFFFAOYSA-N	1	0	396.641	6.006	1	30		GKEFRO
N#CC(CC[N@H+]1CC=C(c2ccccc2)CC1)(c1ccccc1)c1ccccc1	ZINC000095558612	222354120	/nfs/dbraw/zinc/35/41/20/222354120.db2.gz	IFQNYCVYXFNQND-UHFFFAOYSA-N	1	0	378.519	5.676	1	30		GKEFRO
CCC[C@@H]1/C(=N\O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1	ZINC000103544645	520814392	/nfs/dbraw/zinc/81/43/92/520814392.db2.gz	WETLHCJOVDJFEY-WFNDJXAESA-N	1	0	391.342	6.262	2	30		GKEFRO
C=CC[N+](C)(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21	ZINC000084689330	717135782	/nfs/dbraw/zinc/13/57/82/717135782.db2.gz	HTVVQUNZLYXQBA-UHFFFAOYSA-N	1	0	393.498	5.961	1	30		GKEFRO
CCCCCCCCCCCCCCCCCC[C@]1(O)C[N+](C)(C)CCO1	ZINC000036079857	717125308	/nfs/dbraw/zinc/12/53/08/717125308.db2.gz	AZZJGTYCBVZOKN-XMMPIXPASA-N	1	0	384.669	6.433	1	30		GKEFRO
CCCCCCCCCCCCCCCC(=O)Nc1ccc([N+](C)(C)C)cc1	ZINC000095596084	717139305	/nfs/dbraw/zinc/13/93/05/717139305.db2.gz	BVWHWTLYPYFPSJ-UHFFFAOYSA-O	1	0	389.648	7.303	1	30		GKEFRO
CCCCCCCCCCCCCCCCCCCC[N+](C)(C)CCN(C)C	ZINC000103233689	717146200	/nfs/dbraw/zinc/14/62/00/717146200.db2.gz	IZCQJEWSWIIGBE-UHFFFAOYSA-N	1	0	397.756	7.666	1	30		GKEFRO
CCCCCCCCCCCCCCCCSCCC[N@+]1(C)C=CC(=O)C1	ZINC000253635086	717166427	/nfs/dbraw/zinc/16/64/27/717166427.db2.gz	BUMIDJQZNWSNQS-RUZDIDTESA-O	1	0	396.705	7.964	1	30		GKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC([C@H]3CC[C@H]4CC5(CCCC5)C[C@@]4(C)[NH2+]3)=CC(C)=C2C1	ZINC000085550145	291142883	/nfs/dbraw/zinc/14/28/83/291142883.db2.gz	GUXYBAYFQXLQPS-XTMKUOSQSA-N	1	0	393.659	7.497	1	30	biogenic,in-vitro	GKEFRO
C=C1CC[C@@H]2[C@H]([C@@H]3C[C@@H](C4CCCC4)C[C@H]13)[C@@]2(CCC1CCCC1)[C@@H]([NH3+])C=O	ZINC000085544994	291143302	/nfs/dbraw/zinc/14/33/02/291143302.db2.gz	FBMLSTIGUMNEJF-KJIUSXDCSA-N	1	0	383.620	5.898	1	30	biogenic,in-vitro	GKEFRO
Cc1cc(NC(=NC2CCC(C)CC2)Nc2nccs2)c2ccccc2[nH+]1	ZINC000026167810	209243830	/nfs/dbraw/zinc/24/38/30/209243830.db2.gz	KPOXUTOPFVWFCM-UHFFFAOYSA-N	1	0	379.533	5.268	1	30		GKEFRO
CCSC1(SCC)C[C@@H](Cc2ccc(OC)cc2)N(/C=[NH+]/C(C)(C)C)C1	ZINC000005811219	204153253	/nfs/dbraw/zinc/15/32/53/204153253.db2.gz	CYUAVZNVMAHTLK-IPEVAPCJSA-N	1	0	394.650	5.341	1	30		GKEFRO
C=C[C@H]1C[N@H+](CCCCC)CC[C@H]1CC(=C)C(=O)c1ccnc2ccccc21	ZINC000084672191	205397639	/nfs/dbraw/zinc/39/76/39/205397639.db2.gz	WLMRECBNQGJWBJ-SFTDATJTSA-N	1	0	376.544	5.678	1	30		GKEFRO
C[C@@H]1/C(=N\OCc2ccccc2)C[C@H](c2ccccc2)[N@@H+](C)[C@@H]1c1ccccc1	ZINC000169316317	205826884	/nfs/dbraw/zinc/82/68/84/205826884.db2.gz	KCMBZZIDKUGKLJ-LFSWXEOUSA-N	1	0	384.523	6.013	1	30		GKEFRO
CCCC#Cc1cc(C[NH+]2CCN(c3ccccc3OC)CC2)c2cccccc1-2	ZINC000095561958	206217353	/nfs/dbraw/zinc/21/73/53/206217353.db2.gz	RSTJJQONPRJAIE-UHFFFAOYSA-N	1	0	398.550	5.274	1	30		GKEFRO
C=CC[NH+]1CCC(=C(c2ccccc2)c2ccc(C(=O)N(CC)CC)cc2)CC1	ZINC000013814364	206247698	/nfs/dbraw/zinc/24/76/98/206247698.db2.gz	FLCINJYFGQFRNS-UHFFFAOYSA-N	1	0	388.555	5.252	1	30		GKEFRO
CCCCCCCCCCn1c(N)[nH+]cc1-c1ccc(-c2ccccc2)cc1	ZINC000066113381	211002401	/nfs/dbraw/zinc/00/24/01/211002401.db2.gz	SVBXQQMNBLLUHH-UHFFFAOYSA-N	1	0	375.560	6.940	1	30		GKEFRO
CCCCCCCC[n+]1c(-c2cccc(Br)c2)cn2cccnc21	ZINC000066102630	207877682	/nfs/dbraw/zinc/87/76/82/207877682.db2.gz	KEIFACYISAJERN-UHFFFAOYSA-N	1	0	387.345	5.412	1	30		GKEFRO
COc1cccc2c1C[N@@H+]([C@H]1CC[C@H](c3c[nH]c4ccc(C#N)cc43)CC1)CC2	ZINC000100890125	208382859	/nfs/dbraw/zinc/38/28/59/208382859.db2.gz	XBBDUHCKEUBCPR-BGYRXZFFSA-N	1	0	385.511	5.133	1	30		GKEFRO
CCCCCCCCCCCCCCCCCC[C@@]1(O)C[N+](C)(C)CCO1	ZINC000036079858	717125064	/nfs/dbraw/zinc/12/50/64/717125064.db2.gz	AZZJGTYCBVZOKN-DEOSSOPVSA-N	1	0	384.669	6.433	1	30		GKEFRO
CCCCCCCCCCCCCCS(=O)(=O)N(C)CC[N+](C)(C)CC	ZINC000096932791	717141291	/nfs/dbraw/zinc/14/12/91/717141291.db2.gz	JJHKKRDXLQYDPI-UHFFFAOYSA-N	1	0	391.686	5.045	1	30		GKEFRO
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1Cl	ZINC000169332820	717155434	/nfs/dbraw/zinc/15/54/34/717155434.db2.gz	WNJYNQZMLOENBJ-UHFFFAOYSA-N	1	0	395.095	8.398	1	30		GKEFRO
CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(Cl)cc1	ZINC000169337860	717155883	/nfs/dbraw/zinc/15/58/83/717155883.db2.gz	XWFXRNKKKSEOQT-UHFFFAOYSA-N	1	0	395.095	8.398	1	30		GKEFRO
CCCCCCCCCCc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000254134646	717170308	/nfs/dbraw/zinc/17/03/08/717170308.db2.gz	LWVFCAZIUFBONI-MCZWQBSQSA-N	1	0	386.688	7.882	1	30		GKEFRO
CC(/C=N/OCC[NH+](C)C)=C\[C@H]1CC[C@]2(O)C[C@@H](C3CCCCC3)CC[C@]12C	ZINC000013471899	210063515	/nfs/dbraw/zinc/06/35/15/210063515.db2.gz	BYMTUWAVHQBKNZ-VODRAILWSA-N	1	0	390.612	5.025	1	30		GKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC([C@H]3C=C[C@H]4C5(CCCC5)CC[C@@]4(C)[NH2+]3)=CC(C)=C2C1	ZINC000085550143	291142877	/nfs/dbraw/zinc/14/28/77/291142877.db2.gz	ZEKHVNLKFPFMCE-SMKMGKIVSA-N	1	0	391.643	7.273	1	30	biogenic,in-vitro	GKEFRO
CCCCCC[C@@H]1CC[C@@H]2CC3=C(CCCCNC(N)=[NH2+])C(=O)C[C@@]31C2(C)C	ZINC000085549668	291148566	/nfs/dbraw/zinc/14/85/66/291148566.db2.gz	VSQFXSLDSMXLGT-GGUMNFRJSA-N	1	0	387.612	5.112	1	30	biogenic,in-vitro	GKEFRO
C=CCOC1(c2ccc(Cl)cc2)CC[NH+](Cc2c[nH]c3ccccc23)CC1	ZINC000028878454	209180501	/nfs/dbraw/zinc/18/05/01/209180501.db2.gz	KOGYKWMOOUGINB-UHFFFAOYSA-N	1	0	380.919	5.515	1	30		GKEFRO
Cc1cc(NC(=N[C@@H]2CCC[C@@H](C)[C@H]2C)Nc2nccs2)c2ccccc2[nH+]1	ZINC000026156994	212157857	/nfs/dbraw/zinc/15/78/57/212157857.db2.gz	VOMKUDXPYCVXAU-QGPMSJSTSA-N	1	0	393.560	5.704	1	30		GKEFRO
CCCC[N@@H+](CC#CCCC(=O)[C@@](O)(c1ccccc1)C1CCCCC1)CCC	ZINC000026831394	212108158	/nfs/dbraw/zinc/10/81/58/212108158.db2.gz	KRXAPJACJRXRGS-AREMUKBSSA-N	1	0	397.603	5.319	1	30		GKEFRO
C=CC[N@H+]1[C@@H]2CC[C@H]1CC(=C(c1ccccc1)c1ccc(C(=O)NCC)cc1)C2	ZINC000026189455	212107787	/nfs/dbraw/zinc/10/77/87/212107787.db2.gz	MEXPGTSLRDTLMA-PSWAGMNNSA-N	1	0	386.539	5.051	1	30		GKEFRO
C=CC[C@@H]([NH2+]Cc1ccc(Cl)cc1)c1cn(C(=O)OCC)c2ccccc12	ZINC000028646649	203785601	/nfs/dbraw/zinc/78/56/01/203785601.db2.gz	JXQCMLLJPQTCRP-HXUWFJFHSA-N	1	0	382.891	5.706	1	30		GKEFRO
CC(C)[NH+](CCCO/N=C1\CCCC\C1=C/c1ccc(Cl)cc1)C(C)C	ZINC000004213147	204032664	/nfs/dbraw/zinc/03/26/64/204032664.db2.gz	BURFYXOPVVMBNO-JZYPHBBUSA-N	1	0	376.972	6.179	1	30	in-man	GKEFRO
CCCCCCCOc1c(OC)cc(N[C@H](C)CCC[NH3+])c2nccc(C)c21	ZINC000043409486	205083374	/nfs/dbraw/zinc/08/33/74/205083374.db2.gz	JEZOYMOMFCAUNP-GOSISDBHSA-N	1	0	387.568	5.440	1	30		GKEFRO
CCCCCCCC1CC[NH+](C[C@H](O)c2ccnc3ccc(OC)cc32)CC1	ZINC000049605493	205129851	/nfs/dbraw/zinc/12/98/51/205129851.db2.gz	MQOMMSAENHQKHD-DEOSSOPVSA-N	1	0	384.564	5.349	1	30		GKEFRO
COc1ccc(C=NNc2c3ccccc3[nH+]c3ccccc32)c2ccccc12	ZINC000064599962	205191611	/nfs/dbraw/zinc/19/16/11/205191611.db2.gz	CQQNMMMRKUUKGI-QQXSKIMKSA-N	1	0	377.447	5.418	1	30		GKEFRO
CCCC[N@@H+](CC#CCCC(=O)[C@](O)(c1ccccc1)C1CCCCC1)CCC	ZINC000026831391	206253524	/nfs/dbraw/zinc/25/35/24/206253524.db2.gz	KRXAPJACJRXRGS-SANMLTNESA-N	1	0	397.603	5.319	1	30		GKEFRO
CCCCCCCCCCCCCCCC(=O)NCC(C)(C)C[N+](C)(C)CC	ZINC000096906288	211350826	/nfs/dbraw/zinc/35/08/26/211350826.db2.gz	UONPLGJVYHPWBT-UHFFFAOYSA-O	1	0	397.712	6.706	1	30		GKEFRO
CCCCCCCCCCCCc1ccc(C(=O)N2CCC[C@@H]2C(N)=[NH2+])cc1	ZINC000071317165	211044989	/nfs/dbraw/zinc/04/49/89/211044989.db2.gz	DHYWGRWKWDDFMU-JOCHJYFZSA-N	1	0	385.596	5.691	1	30		GKEFRO
CCCCCCCCCCCCCC[NH+]=c1ccn(Cc2ccccc2)cc1	ZINC000042989547	210805997	/nfs/dbraw/zinc/80/59/97/210805997.db2.gz	CQOJURAQWRHQHY-UHFFFAOYSA-N	1	0	380.620	7.138	1	30		GKEFRO
COc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CNC(C)=[NH2+])c2cc1OC	ZINC000095559588	208233322	/nfs/dbraw/zinc/23/33/22/208233322.db2.gz	NDIQXJDSSGYWKB-UHFFFAOYSA-N	1	0	391.515	5.094	1	30		GKEFRO
CCCCCCCCn1cc(C[NH+](CC)CC)c2cc(-c3cncnc3)ccc21	ZINC000096258402	208294894	/nfs/dbraw/zinc/29/48/94/208294894.db2.gz	VAOWXFUTILSXBR-UHFFFAOYSA-N	1	0	392.591	6.301	1	30		GKEFRO
COc1cccc2c1CC[N@@H+]([C@H]1CC[C@@H](c3c[nH]c4ccc(C#N)cc43)CC1)C2	ZINC000100803735	208381944	/nfs/dbraw/zinc/38/19/44/208381944.db2.gz	YQSJTZPMJWLLSZ-KESTWPANSA-N	1	0	385.511	5.133	1	30		GKEFRO
CCCCCCCCCCCCCN1c2nccc[n+]2C[C@@]1(O)c1ccccc1	ZINC000072106478	222205918	/nfs/dbraw/zinc/20/59/18/222205918.db2.gz	SXAGDFSHCGXQBL-RUZDIDTESA-N	1	0	396.599	5.345	1	30		GKEFRO
C[N+]1(CCCC#N)[C@@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000084618451	717135739	/nfs/dbraw/zinc/13/57/39/717135739.db2.gz	VFJRFXQSJCPAOG-FISZKFSESA-N	1	0	398.574	5.578	1	30		GKEFRO
CCCCCCCCCCCCCCCC(=O)OCC[N+](CC)(CC)CC	ZINC000042988505	717128245	/nfs/dbraw/zinc/12/82/45/717128245.db2.gz	VZZSESQGGSXJAA-UHFFFAOYSA-N	1	0	384.669	6.887	1	30		GKEFRO
CCCCCCCCCCCCCCCCSCCC[N+]1(C)C=CC(=O)C1	ZINC000043226678	717128494	/nfs/dbraw/zinc/12/84/94/717128494.db2.gz	BUMIDJQZNWSNQS-UHFFFAOYSA-O	1	0	396.705	7.964	1	30		GKEFRO
C=CC[N+]1(CC)CCN(C(=O)CCCCCCCCCCCCCCC)CC1	ZINC000072121449	717133864	/nfs/dbraw/zinc/13/38/64/717133864.db2.gz	LKANHBVEUHYHFG-UHFFFAOYSA-N	1	0	393.680	6.333	1	30		GKEFRO
CCCCCCCCCCCCCCS(=O)(=O)N(C)CCC[N+](C)(C)C	ZINC000096932796	717141341	/nfs/dbraw/zinc/14/13/41/717141341.db2.gz	IDEBKZTXBASKES-UHFFFAOYSA-N	1	0	391.686	5.045	1	30		GKEFRO
CCCCCCCCCC#Cc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000103040315	717146209	/nfs/dbraw/zinc/14/62/09/717146209.db2.gz	FZNGQPMGWQLZSP-HNRBIFIRSA-N	1	0	396.683	7.691	1	30		GKEFRO
CCCCCCCCC#Cc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000253994605	717169598	/nfs/dbraw/zinc/16/95/98/717169598.db2.gz	UOTXEFNGXOLCAH-MCZWQBSQSA-N	1	0	382.656	7.301	1	30		GKEFRO
CC#Cc1ccc(-c2ccc(C(=O)C3CCC(C[NH2+]CCC)CC3)s2)s1	ZINC000085592366	291144093	/nfs/dbraw/zinc/14/40/93/291144093.db2.gz	WVZPLMAMFBALPX-UHFFFAOYSA-N	1	0	385.598	5.837	1	30	biogenic,in-vitro	GKEFRO
C=C(C)[C@@H]1CC[C@@]2(C)CC([C@@H]3CC[C@H]4CC[C@H](CCCO)[C@@]4(C)[NH2+]3)=CC(C)=C2C1	ZINC000085550089	291142882	/nfs/dbraw/zinc/14/28/82/291142882.db2.gz	FWQQYBHOCNJCRT-HLVHGCLLSA-N	1	0	397.647	6.325	1	30	biogenic,in-vitro	GKEFRO
Cc1cc(NC(=N[C@@H]2CCC[C@H](C)[C@H]2C)Nc2nccs2)c2ccccc2[nH+]1	ZINC000026157002	209242300	/nfs/dbraw/zinc/24/23/00/209242300.db2.gz	VOMKUDXPYCVXAU-YXJHDRRASA-N	1	0	393.560	5.704	1	30		GKEFRO
C=C(C)c1c(OC)ccc2cc([C@@H]3C[C@H]4CC[C@@H]([C@@H]3C(=O)CC)[N@H+]4C)ccc21	ZINC000169306554	209184027	/nfs/dbraw/zinc/18/40/27/209184027.db2.gz	HNDBRFIOUNWISY-FKRYTKDZSA-N	1	0	377.528	5.427	1	30		GKEFRO
C=CC[C@H]([NH2+]Cc1ccc(Cl)cc1)c1cn(C(=O)OCC)c2ccccc12	ZINC000028646652	209180534	/nfs/dbraw/zinc/18/05/34/209180534.db2.gz	JXQCMLLJPQTCRP-FQEVSTJZSA-N	1	0	382.891	5.706	1	30		GKEFRO
NC(=[NH2+])c1ccc2cc(C#Cc3cccc(OCc4ccccc4)c3)ccc2c1	ZINC000028975681	209180422	/nfs/dbraw/zinc/18/04/22/209180422.db2.gz	VSJIPBGSHMTXOW-UHFFFAOYSA-N	1	0	376.459	5.103	1	30		GKEFRO
C#CC[N+](C)(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21	ZINC000084688523	212148960	/nfs/dbraw/zinc/14/89/60/212148960.db2.gz	IYPZJWMNZOEHPC-UHFFFAOYSA-N	1	0	391.482	5.408	1	30		GKEFRO
CCCCCCCCCCCCCCCCc1cccc([C@@H](O)[C@@H]([NH3+])CO)n1	ZINC000036079863	205003775	/nfs/dbraw/zinc/00/37/75/205003775.db2.gz	XKNYHAVTIFPMNE-UPVQGACJSA-N	1	0	392.628	5.458	1	30		GKEFRO
CCCCCCCCCCCCCCCCSC[C@H](C[N+](C)(C)C)OC	ZINC000038143143	205036315	/nfs/dbraw/zinc/03/63/15/205036315.db2.gz	DCISCKQCMJTAKV-QHCPKHFHSA-N	1	0	388.726	6.922	1	30		GKEFRO
CCCCCCCCOc1c(OC)cc(N[C@@H](C)CCC[NH3+])c2ncccc21	ZINC000043649159	205083093	/nfs/dbraw/zinc/08/30/93/205083093.db2.gz	PNVCABWMSAVFRJ-SFHVURJKSA-N	1	0	387.568	5.522	1	30		GKEFRO
CCCCCCCCCCCCCCCCCCCCNC(=O)[C@@H]([NH3+])CO	ZINC000043462871	205084208	/nfs/dbraw/zinc/08/42/08/205084208.db2.gz	ACEIWGYMYXVDAI-QFIPXVFZSA-N	1	0	384.649	5.464	1	30		GKEFRO
N#Cc1ccc(C(=O)Nc2ccc(-c3cccc(C[NH+]4CCCC4)c3)cc2)cc1	ZINC000045335147	205096616	/nfs/dbraw/zinc/09/66/16/205096616.db2.gz	ATJITOKKCGUUBU-UHFFFAOYSA-N	1	0	381.479	5.073	1	30		GKEFRO
C=C[C@@H](OC[C@H](O)C[NH2+]C(C)(C)Cc1ccc2ccccc2c1)c1ccccc1	ZINC000049036369	206208723	/nfs/dbraw/zinc/20/87/23/206208723.db2.gz	OAIQMVJUJXKRRX-JWQCQUIFSA-N	1	0	389.539	5.055	1	30		GKEFRO
C=CCCOC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CC)CC	ZINC000066112243	206225326	/nfs/dbraw/zinc/22/53/26/206225326.db2.gz	YBZXTUFIYJLTAR-UHFFFAOYSA-N	1	0	384.524	5.581	1	30		GKEFRO
CCSC1(SCC)C[C@H](Cc2ccc(OC)cc2)N(/C=[NH+]/C(C)(C)C)C1	ZINC000001629153	206387575	/nfs/dbraw/zinc/38/75/75/206387575.db2.gz	CYUAVZNVMAHTLK-RMDTYCCRSA-N	1	0	394.650	5.341	1	30		GKEFRO
CCCCCCCCCCCCCCCC(=O)N(C)CC[N+](CC)(CC)CC	ZINC000096906279	208328141	/nfs/dbraw/zinc/32/81/41/208328141.db2.gz	CUDWCSUNIYNORA-UHFFFAOYSA-N	1	0	397.712	6.803	1	30		GKEFRO
N#CC(CCC[NH2+]C12CC3CC(CC(C3)C1)C2)(c1ccccc1)c1ccccc1	ZINC000013556945	221273488	/nfs/dbraw/zinc/27/34/88/221273488.db2.gz	WKTIWRVCHRGRGW-UHFFFAOYSA-N	1	0	384.567	5.835	1	30		GKEFRO
C[N@H+]1[C@@H]2CC[C@H]1CC(=NO[C@@H](c1ccccc1)c1ccc(C(F)(F)F)cc1)C2	ZINC000049071516	221996027	/nfs/dbraw/zinc/99/60/27/221996027.db2.gz	XNSCEIAPPDROEG-HBMCJLEFSA-N	1	0	388.433	5.424	1	30		GKEFRO
CCc1ccc([C@@H]2[NH2+][C@H](c3ccc(CC)cc3)[C@@H]3CCC[C@H]2C3=NOC)cc1	ZINC000071329944	222182258	/nfs/dbraw/zinc/18/22/58/222182258.db2.gz	JEBRIJKLISYTST-NVPYSNMXSA-N	1	0	376.544	5.616	1	30		GKEFRO
CCCCCCC[N+]12CCC(CC1)C(=O)[C@@H]2CCCc1ccc(Cl)cc1	ZINC000043260531	717128523	/nfs/dbraw/zinc/12/85/23/717128523.db2.gz	KPZIEEKDZJQRSO-CVCZCXRASA-N	1	0	376.992	5.811	1	30		GKEFRO
C=CC[N+](CC)(CC)CCN(C)C(=O)CCCCCCCCCCCCC	ZINC000096906269	717141506	/nfs/dbraw/zinc/14/15/06/717141506.db2.gz	NOELMPNAVZDDHG-UHFFFAOYSA-N	1	0	381.669	6.189	1	30		GKEFRO
CCN(CC)C(=S)SC/C(Nc1ccc(C)cc1)=[NH+]/c1ccc(C)cc1	ZINC000001846885	209341142	/nfs/dbraw/zinc/34/11/42/209341142.db2.gz	FWLCYOBOLHJMCL-UHFFFAOYSA-N	1	0	385.602	5.805	1	30		GKEFRO
C[N@H+](C/C=C/C#CC(C)(C)C)Cc1cccc2c(Br)csc21	ZINC000027766290	209243944	/nfs/dbraw/zinc/24/39/44/209243944.db2.gz	DAZRNHYOEJNLNI-FNORWQNLSA-N	1	0	376.363	5.701	1	30		GKEFRO
Cc1nc(NC(=NC2CCCCC2)Nc2cc(C)[nH+]c3ccccc23)sc1C	ZINC000029570336	212157411	/nfs/dbraw/zinc/15/74/11/212157411.db2.gz	VRDSDSOADAUDMD-UHFFFAOYSA-N	1	0	393.560	5.638	1	30		GKEFRO
C=C[C@H](OC[C@H](O)C[NH2+]C(C)(C)Cc1ccc2ccccc2c1)c1ccccc1	ZINC000049036367	212057753	/nfs/dbraw/zinc/05/77/53/212057753.db2.gz	OAIQMVJUJXKRRX-RPBOFIJWSA-N	1	0	389.539	5.055	1	30		GKEFRO
C[NH2+][C@H]1CC[C@H](OCC#Cc2c3ccccc3sc2-c2ccccc2)O[C@H]1C	ZINC000071341284	212057064	/nfs/dbraw/zinc/05/70/64/212057064.db2.gz	NTJCWUOEUMRMHM-JWNTYJGQSA-N	1	0	391.536	5.049	1	30		GKEFRO
Fc1ccc(Nc2ncnc3ccc(C#CC[NH+]4CCCCC4)cc32)cc1Cl	ZINC000028951156	209179280	/nfs/dbraw/zinc/17/92/80/209179280.db2.gz	VVYBHXQAVZOHKY-UHFFFAOYSA-N	1	0	394.881	5.003	1	30		GKEFRO
Cc1cc(NC(=N[C@@H]2CCC[C@@H](C)[C@@H]2C)Nc2nccs2)c2ccccc2[nH+]1	ZINC000033865796	203836853	/nfs/dbraw/zinc/83/68/53/203836853.db2.gz	VOMKUDXPYCVXAU-UWWQBHOKSA-N	1	0	393.560	5.514	1	30		GKEFRO
CCCCCC/C=C(\c1ccc(O)cc1)c1ccc(OCC[NH+](CC)CC)cc1	ZINC000036748773	205021527	/nfs/dbraw/zinc/02/15/27/205021527.db2.gz	NLUMLXMYTSTSKI-KBKYJPHKSA-N	1	0	395.587	6.515	1	30		GKEFRO
CCCCCCCCCCCCCC[C@@H](C[NH2+]CC)NC(=O)OC(C)(C)C	ZINC000038152006	205036033	/nfs/dbraw/zinc/03/60/33/205036033.db2.gz	DXLPUAFXMFCWAA-NRFANRHFSA-N	1	0	384.649	6.580	1	30		GKEFRO
C[C@@H]1C(=NOCc2ccccc2)[C@@H](C)[C@@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1	ZINC000043062013	205082135	/nfs/dbraw/zinc/08/21/35/205082135.db2.gz	BGAQWBJJHICOJW-RGOSMPGBSA-N	1	0	384.523	5.917	1	30		GKEFRO
Cc1ccc([C@H]2C/C(=N\OCc3ccccc3)[C@@H](C)[C@H](c3ccc(C)cc3)[NH2+]2)cc1	ZINC000043120428	205082643	/nfs/dbraw/zinc/08/26/43/205082643.db2.gz	DXXNLEIMZJWKNX-AEQCMLFTSA-N	1	0	398.550	6.288	1	30		GKEFRO
Cc1ccc([C@@H]2c3c(N)c4c([nH+]c3NC3=C2C(=O)CC(C)(C)C3)CCCC4)cc1	ZINC000040876769	205074265	/nfs/dbraw/zinc/07/42/65/205074265.db2.gz	YHCILCVEQLWROP-FQEVSTJZSA-N	1	0	387.527	5.052	1	30		GKEFRO
CCCCCCCCCCCCCCCC(=O)NCC[N+](CC)(CC)CC	ZINC000042920019	221945729	/nfs/dbraw/zinc/94/57/29/221945729.db2.gz	VLCWKOMGSDGMFK-UHFFFAOYSA-O	1	0	383.685	6.460	1	30		GKEFRO
N#CC(CC[NH+]1CCC(c2ccccc2)CC1)(c1ccccc1)c1ccccc1	ZINC000095560931	222355250	/nfs/dbraw/zinc/35/52/50/222355250.db2.gz	VEFWRMMQEHDNJT-UHFFFAOYSA-N	1	0	380.535	5.766	1	30		GKEFRO
CCC[C@H]1/C(=N\O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@@H]1c1ccc(Cl)cc1	ZINC000103544638	521197148	/nfs/dbraw/zinc/19/71/48/521197148.db2.gz	WETLHCJOVDJFEY-QSGMLLPESA-N	1	0	391.342	6.262	2	30		GKEFRO
C[N+](C)(CCCNC(=O)CCCCCCCCCCS)Cc1ccccc1	ZINC000040917022	717127913	/nfs/dbraw/zinc/12/79/13/717127913.db2.gz	VYSJEPUEEMQGLQ-UHFFFAOYSA-O	1	0	393.661	5.210	1	30		GKEFRO
C=CC[N+]1(C)CCN(C(=O)CCCCCCCCCCCCCCC)CC1	ZINC000072105236	717133595	/nfs/dbraw/zinc/13/35/95/717133595.db2.gz	FDEGZHQVRACTCU-UHFFFAOYSA-N	1	0	379.653	5.943	1	30		GKEFRO
C[N+]1(CCCC#N)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505085	717145192	/nfs/dbraw/zinc/14/51/92/717145192.db2.gz	VFJRFXQSJCPAOG-IERGYTGCSA-N	1	0	398.574	5.578	1	30		GKEFRO
CCCCCCCCCCCCCC/C(=C/OCC[N+](C)(C)C)OC(C)=O	ZINC000102938826	717146203	/nfs/dbraw/zinc/14/62/03/717146203.db2.gz	LCBVSYGPLBXDDT-LNVKXUELSA-N	1	0	384.625	6.205	1	30		GKEFRO
CCCCCCCCCC#Cc1ccc([C@H]2CC[C@H]([N+](C)(C)CCC)CC2)cc1	ZINC000254133931	717170247	/nfs/dbraw/zinc/17/02/47/717170247.db2.gz	FZNGQPMGWQLZSP-QVYRIUEQSA-N	1	0	396.683	7.691	1	30		GKEFRO
CC1=C2C[C@@]34C[N@H+]5C[C@@]56CCC[C@H]6CC#CC[C@]35CCC[C@H]4C[C@@H](C)[C@]25CC1	ZINC000085548163	291145955	/nfs/dbraw/zinc/14/59/55/291145955.db2.gz	JOEZJAIALYZALF-ITNZUFPXSA-N	1	0	375.600	5.951	1	30	biogenic,in-vitro	GKEFRO
C=C(C)c1c(OC)ccc2cc([C@H]3C[C@@H]4CC[C@H]([C@@H]3C(=O)CC)[N@H+]4C)ccc21	ZINC000029321236	212109880	/nfs/dbraw/zinc/10/98/80/212109880.db2.gz	HNDBRFIOUNWISY-FXWJEBAPSA-N	1	0	377.528	5.427	1	30		GKEFRO
C=C1CC[C@@H]([NH3+])C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C	ZINC000073200485	212059492	/nfs/dbraw/zinc/05/94/92/212059492.db2.gz	KBTODVOGUWIIOU-YHJXBONMSA-N	1	0	383.664	7.585	1	30		GKEFRO
CCC[C@@H]1/C(=N\O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1	ZINC000004478263	204047349	/nfs/dbraw/zinc/04/73/49/204047349.db2.gz	WETLHCJOVDJFEY-UNVHVKCHSA-N	1	0	391.342	6.262	2	30		GKEFRO
CC(=O)/C(=C\c1ccccc1)Oc1ccccc1OCCC[NH+](C(C)C)C(C)C	ZINC000005442031	204132479	/nfs/dbraw/zinc/13/24/79/204132479.db2.gz	NHRXBAWIRXVUEH-XIEYBQDHSA-N	1	0	395.543	5.583	1	30		GKEFRO
CCCCCCCC[NH+]1CCC(COC(c2ccccc2)c2ccccc2)CC1	ZINC000038150507	205035984	/nfs/dbraw/zinc/03/59/84/205035984.db2.gz	HTUNXPCPSTUPRX-UHFFFAOYSA-N	1	0	393.615	6.865	1	30		GKEFRO
N#Cc1ccc2[nH]cc(C3=CC[N@@H+]([C@H]4Cc5cccc6cccc4c56)CC3)c2c1	ZINC000040565338	205067916	/nfs/dbraw/zinc/06/79/16/205067916.db2.gz	WRIFEQYWHAWZRY-VWLOTQADSA-N	1	0	375.475	5.579	1	30		GKEFRO
CSC(=[NH2+])Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1	ZINC000040877634	205073795	/nfs/dbraw/zinc/07/37/95/205073795.db2.gz	RDLXQWSXSUYJPA-UHFFFAOYSA-N	1	0	375.497	5.183	1	30		GKEFRO
Cc1ccc([C@H]2c3c(N)c4c([nH+]c3NC3=C2C(=O)CC(C)(C)C3)CCCC4)cc1	ZINC000040876772	205074067	/nfs/dbraw/zinc/07/40/67/205074067.db2.gz	YHCILCVEQLWROP-HXUWFJFHSA-N	1	0	387.527	5.052	1	30		GKEFRO
CC(C)(C)c1cc(-c2nsc(C[N+](=O)C(C)(C)C)n2)cc(C(C)(C)C)c1O	ZINC000040972261	205076612	/nfs/dbraw/zinc/07/66/12/205076612.db2.gz	GOPCJWZPWQAJQU-MSXFZWOLSA-N	1	0	389.565	5.233	1	30		GKEFRO
C=C[C@H]1C[N@H+](CCCCCC)CC[C@H]1CCC(=O)c1ccnc2ccccc21	ZINC000084687888	206296447	/nfs/dbraw/zinc/29/64/47/206296447.db2.gz	UDAODPSIHVTODE-LEWJYISDSA-N	1	0	378.560	5.902	1	30		GKEFRO
Cc1ccc2[nH+]c(C)cc(NC(=NC3CCCCC3)Nc3nccs3)c2c1	ZINC000029570395	206303889	/nfs/dbraw/zinc/30/38/89/206303889.db2.gz	BJWOZINCPBINPD-UHFFFAOYSA-N	1	0	379.533	5.521	1	30		GKEFRO
CCCCCCCCCCCCCCCCCC(=O)N(C)CC[N+](C)(C)C	ZINC000096906285	211350496	/nfs/dbraw/zinc/35/04/96/211350496.db2.gz	NDYZIEWXZICYJK-UHFFFAOYSA-N	1	0	383.685	6.413	1	30		GKEFRO
FC(F)(F)c1ccc([C@@H]2CC[NH2+]C/C2=N/OCc2ccccc2Cl)cc1	ZINC000066114008	211002755	/nfs/dbraw/zinc/00/27/55/211002755.db2.gz	RIISFISZNKVXOC-FLARGELVSA-N	1	0	382.813	5.009	1	30		GKEFRO
CCCCCCC[NH+]1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1	ZINC000066078494	211000175	/nfs/dbraw/zinc/00/01/75/211000175.db2.gz	DJJGUBUFSOKYKD-UHFFFAOYSA-N	1	0	394.559	6.337	1	30		GKEFRO
CCc1cccc(N(C)C(=[NH2+])Nc2cc(Cl)cc(C(F)(F)F)c2Cl)c1	ZINC000027427907	207325661	/nfs/dbraw/zinc/32/56/61/207325661.db2.gz	CIGRDHMRYUGRPO-UHFFFAOYSA-N	1	0	390.236	5.657	1	30		GKEFRO
COc1ccc2c(c1)C[N@H+]([C@H]1CC[C@@H](c3c[nH]c4ccc(C#N)cc43)CC1)CC2	ZINC000100804247	208380967	/nfs/dbraw/zinc/38/09/67/208380967.db2.gz	NJOFHKOATSZZIA-XUTJKUGGSA-N	1	0	385.511	5.133	1	30		GKEFRO
C[N@@H+]1C[C@@H]2[C@@H](c3ccccc3)C3(c4ccc(C#N)cc4)CC2(C3)[C@H]1c1ccccc1	ZINC000013660936	221279809	/nfs/dbraw/zinc/27/98/09/221279809.db2.gz	BRGCYPGKUKJPHW-MGDIVGHDSA-N	1	0	390.530	5.677	3	30		GKEFRO
C[N+](C)(CC#N)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21	ZINC000084672322	136175153	/nfs/dbraw/zinc/17/51/53/136175153.db2.gz	LMMYMXFBIPQUCV-UHFFFAOYSA-N	1	0	392.470	5.298	1	30		GKEFRO
FC(F)(F)c1ccc([C@@H]2CC[NH2+]C/C2=N\OCc2ccccc2Cl)cc1	ZINC000066114011	222138129	/nfs/dbraw/zinc/13/81/29/222138129.db2.gz	RIISFISZNKVXOC-CZAKTJCCSA-N	1	0	382.813	5.009	1	30		GKEFRO
CCCCCCCC(=O)c1ncc(CCCCCSCCC[NH+](C)C)o1	ZINC000082158091	222311374	/nfs/dbraw/zinc/31/13/74/222311374.db2.gz	XAZDHTOBMCSNOA-UHFFFAOYSA-N	1	0	382.614	5.616	1	30		GKEFRO
CCC[C@H]1/C(=N\O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)[NH2+][C@H]1c1ccc(Cl)cc1	ZINC000004478262	570376863	/nfs/dbraw/zinc/37/68/63/570376863.db2.gz	WETLHCJOVDJFEY-DDRSWZFFSA-N	1	0	391.342	6.262	2	30		GKEFRO
C[N+]1(CC2CC2)[C@@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000084616276	717135855	/nfs/dbraw/zinc/13/58/55/717135855.db2.gz	AINYDMAWYSRABK-OEBQSKJWSA-N	1	0	385.575	5.684	1	30		GKEFRO
CCCCCCCCCCCCCCCCSC[C@@H](C[N+](C)(C)C)OC	ZINC000038143142	717125689	/nfs/dbraw/zinc/12/56/89/717125689.db2.gz	DCISCKQCMJTAKV-HSZRJFAPSA-N	1	0	388.726	6.922	1	30		GKEFRO
C[N+]1(CC2CC2)[C@@H]2CC[C@H]1C[C@@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505041	717145160	/nfs/dbraw/zinc/14/51/60/717145160.db2.gz	AINYDMAWYSRABK-PFRSKWCLSA-N	1	0	385.575	5.684	1	30		GKEFRO
C[N+]1(CC2CC2)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505043	717145170	/nfs/dbraw/zinc/14/51/70/717145170.db2.gz	AINYDMAWYSRABK-WCDSPCNUSA-N	1	0	385.575	5.684	1	30		GKEFRO
C[N+]1(CCCC#N)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000101505086	717145174	/nfs/dbraw/zinc/14/51/74/717145174.db2.gz	VFJRFXQSJCPAOG-LGNBWVINSA-N	1	0	398.574	5.578	1	30		GKEFRO
CCCC[N+]1(C)[C@@H]2CC[C@H]1C[C@H](CC(C#N)(c1ccccc1)c1ccccc1)C2	ZINC000102975941	717146204	/nfs/dbraw/zinc/14/62/04/717146204.db2.gz	JFQFBPSCFKLPNX-WCDSPCNUSA-N	1	0	387.591	6.074	1	30		GKEFRO
CCCCCCCCCCCCCC[N+](C)(C)Cc1ccc(OC)c(OC)c1	ZINC000169337902	717156005	/nfs/dbraw/zinc/15/60/05/717156005.db2.gz	UHPSAFNPJVADGL-UHFFFAOYSA-N	1	0	392.648	6.981	1	30		GKEFRO
C[N+](C)(C)c1ccc(C/N=N/c2nc(Cl)c(C#N)c(Cl)c2Cl)cc1	ZINC000169688377	717156785	/nfs/dbraw/zinc/15/67/85/717156785.db2.gz	WRCWKJAYAPCBDN-XTQSDGFTSA-N	1	0	383.690	5.394	1	30		GKEFRO
CCCCC1(O)CC[NH+](CCCC(C#N)(c2ccccc2)c2ccccc2)CC1	ZINC000013674273	210077763	/nfs/dbraw/zinc/07/77/63/210077763.db2.gz	XQJJPORTUWZGIY-UHFFFAOYSA-N	1	0	390.571	5.294	1	30		GKEFRO