smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[C@H](CC)C[N@@H+]1CCCC[C@@H]1C[NH2+]C(C)C	ZINC000104449573	186006216	/nfs/dbraw/zinc/00/62/16/186006216.db2.gz	YGNDEVIFCPFKSS-DLBZAZTESA-N	2	2	268.489	4.055	10	0		CIAELP
CCCC[C@H](CC)C[N@H+]1CCCC[C@@H]1C[NH2+]C(C)C	ZINC000104449573	186006217	/nfs/dbraw/zinc/00/62/17/186006217.db2.gz	YGNDEVIFCPFKSS-DLBZAZTESA-N	2	2	268.489	4.055	10	0		CIAELP
CCCC1CCC([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC1	ZINC000020548555	171245767	/nfs/dbraw/zinc/24/57/67/171245767.db2.gz	CODYOSSZKHBEJJ-KVZIAJEVSA-N	2	2	288.479	4.238	10	0		CIAELP
Cc1[nH+]c2ccccc2n1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+]	ZINC000020564517	171253366	/nfs/dbraw/zinc/25/33/66/171253366.db2.gz	JKFXNFVAWMZPDR-GRDNDAEWSA-N	2	2	285.435	4.059	10	0		CIAELP
Cc1[nH+]c2ccccc2n1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+]	ZINC000020564520	171253387	/nfs/dbraw/zinc/25/33/87/171253387.db2.gz	JKFXNFVAWMZPDR-JKIFEVAISA-N	2	2	285.435	4.059	10	0		CIAELP
[NH3+][C@@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCC1	ZINC000021499755	171304520	/nfs/dbraw/zinc/30/45/20/171304520.db2.gz	NUDNOPCBPQXIST-IAGOWNOFSA-N	2	2	266.473	4.083	10	0		CIAELP
CC[C@H](C)C[C@](CC)(C[NH3+])[N@H+](CC)C1CCCCC1	ZINC000035176734	172030182	/nfs/dbraw/zinc/03/01/82/172030182.db2.gz	NKYORAGWJSVATB-DOTOQJQBSA-N	2	2	268.489	4.185	10	0		CIAELP
CC[C@H](C)C[C@](CC)(C[NH3+])[N@@H+](CC)C1CCCCC1	ZINC000035176734	172030184	/nfs/dbraw/zinc/03/01/84/172030184.db2.gz	NKYORAGWJSVATB-DOTOQJQBSA-N	2	2	268.489	4.185	10	0		CIAELP
[NH3+]CCCCCc1[nH]cc(-c2cc(Cl)ccc2Cl)[nH+]1	ZINC000036876743	172772260	/nfs/dbraw/zinc/77/22/60/172772260.db2.gz	ULKZQGBIYJJQRE-UHFFFAOYSA-N	2	2	298.217	4.055	10	0		CIAELP
C[C@@H](C[NH2+]C1CCCCCCCCCCC1)[NH+](C)C	ZINC000103969803	185870935	/nfs/dbraw/zinc/87/09/35/185870935.db2.gz	KIPCLYPCHNQXGH-INIZCTEOSA-N	2	2	268.489	4.199	10	0		CIAELP
CCC[NH2+][C@@H]1CCCCCC[C@@H]1[N@H+](C)C[C@@H](C)CC	ZINC000103972322	185872654	/nfs/dbraw/zinc/87/26/54/185872654.db2.gz	YUCRAMSLGGEKSF-BBWFWOEESA-N	2	2	268.489	4.055	10	0		CIAELP
CCC[NH2+][C@@H]1CCCCCC[C@@H]1[N@@H+](C)C[C@@H](C)CC	ZINC000103972322	185872656	/nfs/dbraw/zinc/87/26/56/185872656.db2.gz	YUCRAMSLGGEKSF-BBWFWOEESA-N	2	2	268.489	4.055	10	0		CIAELP
CCC(CC)C[N@H+](CC)[C@@H](C[NH3+])c1cccc(Cl)c1	ZINC000109679136	186268364	/nfs/dbraw/zinc/26/83/64/186268364.db2.gz	BWAKXXHJDIBAQU-INIZCTEOSA-N	2	2	282.859	4.098	10	0		CIAELP
CCC(CC)C[N@@H+](CC)[C@@H](C[NH3+])c1cccc(Cl)c1	ZINC000109679136	186268366	/nfs/dbraw/zinc/26/83/66/186268366.db2.gz	BWAKXXHJDIBAQU-INIZCTEOSA-N	2	2	282.859	4.098	10	0		CIAELP
CCCC[NH+](CCCC)C1(C[NH3+])CCCCCCC1	ZINC000020484899	171224618	/nfs/dbraw/zinc/22/46/18/171224618.db2.gz	QSSYYPLBIKNIEE-UHFFFAOYSA-N	2	2	268.489	4.330	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@@H+]2CCC[C@@H](C)C2)CC1	ZINC000021012450	171287884	/nfs/dbraw/zinc/28/78/84/171287884.db2.gz	QUYVSBXAFCZFBX-KLHKWILBSA-N	2	2	280.500	4.042	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@H+]2CCC[C@@H](C)C2)CC1	ZINC000021012450	171287886	/nfs/dbraw/zinc/28/78/86/171287886.db2.gz	QUYVSBXAFCZFBX-KLHKWILBSA-N	2	2	280.500	4.042	10	0		CIAELP
CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1	ZINC000021049907	171294744	/nfs/dbraw/zinc/29/47/44/171294744.db2.gz	PAJGWFTXZIOGIC-NEWSRXKRSA-N	2	2	288.479	4.238	10	0		CIAELP
CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1	ZINC000021500939	171305393	/nfs/dbraw/zinc/30/53/93/171305393.db2.gz	VAFMQUQBBSWEHB-UHOSZYNNSA-N	2	2	288.479	4.238	10	0		CIAELP
Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)c2cccs2)c(C)[nH+]1	ZINC000037235390	173053245	/nfs/dbraw/zinc/05/32/45/173053245.db2.gz	XUSPGNIGOLZIKI-JSGCOSHPSA-N	2	2	274.433	4.480	10	0		CIAELP
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1	ZINC000151717209	261054282	/nfs/dbraw/zinc/05/42/82/261054282.db2.gz	VHGDMELZXRYENM-LSDHHAIUSA-N	2	2	295.386	4.186	10	0		CIAELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1	ZINC000173698658	261169412	/nfs/dbraw/zinc/16/94/12/261169412.db2.gz	NYSQSYUVJKAKRS-WMZOPIPTSA-N	2	2	297.446	4.152	10	0		CIAELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1	ZINC000173698658	261169415	/nfs/dbraw/zinc/16/94/15/261169415.db2.gz	NYSQSYUVJKAKRS-WMZOPIPTSA-N	2	2	297.446	4.152	10	0		CIAELP
CCCCC[N@H+](C)[C@@H](C[NH3+])c1csc2ccccc21	ZINC000054464058	520155426	/nfs/dbraw/zinc/15/54/26/520155426.db2.gz	BVHPGQCUXAPLGF-HNNXBMFYSA-N	2	2	276.449	4.023	10	0		CIAELP
CCCCC[N@@H+](C)[C@@H](C[NH3+])c1csc2ccccc21	ZINC000054464058	520155434	/nfs/dbraw/zinc/15/54/34/520155434.db2.gz	BVHPGQCUXAPLGF-HNNXBMFYSA-N	2	2	276.449	4.023	10	0		CIAELP
Cc1[nH+]c2ccccc2n1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1[NH3+]	ZINC000020564519	171253464	/nfs/dbraw/zinc/25/34/64/171253464.db2.gz	JKFXNFVAWMZPDR-ZQIUZPCESA-N	2	2	285.435	4.059	10	0		CIAELP
C[N@H+]([C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1)C1CCCCC1	ZINC000021011916	171287708	/nfs/dbraw/zinc/28/77/08/171287708.db2.gz	YAYVYKTWPSEVNU-SFHVURJKSA-N	2	2	288.479	4.248	10	0		CIAELP
C[N@@H+]([C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1)C1CCCCC1	ZINC000021011916	171287710	/nfs/dbraw/zinc/28/77/10/171287710.db2.gz	YAYVYKTWPSEVNU-SFHVURJKSA-N	2	2	288.479	4.248	10	0		CIAELP
CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1	ZINC000021049901	171294880	/nfs/dbraw/zinc/29/48/80/171294880.db2.gz	PAJGWFTXZIOGIC-BHIYHBOVSA-N	2	2	288.479	4.238	10	0		CIAELP
C[C@@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC(C)(C)C1	ZINC000021511483	171310489	/nfs/dbraw/zinc/31/04/89/171310489.db2.gz	PLDYPEKRFIZVHB-NJAFHUGGSA-N	2	2	288.479	4.094	10	0		CIAELP
C[C@@H]1C[C@@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC(C)(C)C1	ZINC000021511480	171310701	/nfs/dbraw/zinc/31/07/01/171310701.db2.gz	PLDYPEKRFIZVHB-NXHRZFHOSA-N	2	2	288.479	4.094	10	0		CIAELP
CCCC[N@H+](CC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+]	ZINC000021520798	171316057	/nfs/dbraw/zinc/31/60/57/171316057.db2.gz	OFRGEZCECMPCSU-HRCADAONSA-N	2	2	268.489	4.041	10	0		CIAELP
CCCC[N@@H+](CC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+]	ZINC000021520798	171316059	/nfs/dbraw/zinc/31/60/59/171316059.db2.gz	OFRGEZCECMPCSU-HRCADAONSA-N	2	2	268.489	4.041	10	0		CIAELP
CCCCCC[C@](C)(C[NH3+])[N@H+](CC)C1CCCCC1	ZINC000035176754	172029809	/nfs/dbraw/zinc/02/98/09/172029809.db2.gz	CFNPBEGMMLXUNA-QGZVFWFLSA-N	2	2	268.489	4.329	10	0		CIAELP
CCCCCC[C@](C)(C[NH3+])[N@@H+](CC)C1CCCCC1	ZINC000035176754	172029811	/nfs/dbraw/zinc/02/98/11/172029811.db2.gz	CFNPBEGMMLXUNA-QGZVFWFLSA-N	2	2	268.489	4.329	10	0		CIAELP
CC(C)c1ccc([C@@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1	ZINC000020226078	171090646	/nfs/dbraw/zinc/09/06/46/171090646.db2.gz	UINFYOUHFSOIMR-LJQANCHMSA-N	2	2	288.479	4.322	10	0		CIAELP
CC(C)c1ccc([C@@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1	ZINC000020226078	171090649	/nfs/dbraw/zinc/09/06/49/171090649.db2.gz	UINFYOUHFSOIMR-LJQANCHMSA-N	2	2	288.479	4.322	10	0		CIAELP
CC(C)c1ccc([C@H](C[NH3+])[N@H+](C)CC2CCCCC2)cc1	ZINC000020226079	171090673	/nfs/dbraw/zinc/09/06/73/171090673.db2.gz	UINFYOUHFSOIMR-IBGZPJMESA-N	2	2	288.479	4.322	10	0		CIAELP
CC(C)c1ccc([C@H](C[NH3+])[N@@H+](C)CC2CCCCC2)cc1	ZINC000020226079	171090675	/nfs/dbraw/zinc/09/06/75/171090675.db2.gz	UINFYOUHFSOIMR-IBGZPJMESA-N	2	2	288.479	4.322	10	0		CIAELP
CC[NH+](CC)[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1	ZINC000021500943	171305495	/nfs/dbraw/zinc/30/54/95/171305495.db2.gz	VAFMQUQBBSWEHB-WDSOQIARSA-N	2	2	288.479	4.238	10	0		CIAELP
CC[N@H+](C1CCCCC1)C1(C[NH3+])CCCCCCC1	ZINC000035176728	172029981	/nfs/dbraw/zinc/02/99/81/172029981.db2.gz	TWOSMGYYLSYWEK-UHFFFAOYSA-N	2	2	266.473	4.083	10	0		CIAELP
CC[N@@H+](C1CCCCC1)C1(C[NH3+])CCCCCCC1	ZINC000035176728	172029984	/nfs/dbraw/zinc/02/99/84/172029984.db2.gz	TWOSMGYYLSYWEK-UHFFFAOYSA-N	2	2	266.473	4.083	10	0		CIAELP
CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@H+](CC)C1CCCCC1	ZINC000035176731	172030123	/nfs/dbraw/zinc/03/01/23/172030123.db2.gz	NKYORAGWJSVATB-WBVHZDCISA-N	2	2	268.489	4.185	10	0		CIAELP
CC[C@@H](C)C[C@@](CC)(C[NH3+])[N@@H+](CC)C1CCCCC1	ZINC000035176731	172030126	/nfs/dbraw/zinc/03/01/26/172030126.db2.gz	NKYORAGWJSVATB-WBVHZDCISA-N	2	2	268.489	4.185	10	0		CIAELP
CCC[NH+](CCC)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424795	173199498	/nfs/dbraw/zinc/19/94/98/173199498.db2.gz	ZTKKNEHYSOHUTE-AWEZNQCLSA-N	2	2	289.250	4.115	10	0		CIAELP
CCC(CC)C[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC	ZINC000020558883	171251240	/nfs/dbraw/zinc/25/12/40/171251240.db2.gz	MPJPLSWKLQVJSH-SFHVURJKSA-N	2	2	276.468	4.095	10	0		CIAELP
[NH3+][C@@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCCC1	ZINC000021517468	171313818	/nfs/dbraw/zinc/31/38/18/171313818.db2.gz	IVLLTKKNYKEQTJ-MSOLQXFVSA-N	2	2	280.500	4.473	10	0		CIAELP
C[C@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccc1Cl	ZINC000021811959	171329424	/nfs/dbraw/zinc/32/94/24/171329424.db2.gz	DVPKISQBJXDLEL-HNNXBMFYSA-N	2	2	294.870	4.113	10	0		CIAELP
CCC[NH+](CCC)[C@H](C[NH3+])c1cccc(Cl)c1Cl	ZINC000022148815	171357471	/nfs/dbraw/zinc/35/74/71/171357471.db2.gz	IDSCJOHDDZCBOQ-CYBMUJFWSA-N	2	2	289.250	4.115	10	0		CIAELP
Cc1cc(C)c([C@H](C)[NH2+][C@H](C)c2cccs2)c(C)[nH+]1	ZINC000037235394	173053594	/nfs/dbraw/zinc/05/35/94/173053594.db2.gz	XUSPGNIGOLZIKI-OCCSQVGLSA-N	2	2	274.433	4.480	10	0		CIAELP
CCC[NH+](CCC)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424796	173199288	/nfs/dbraw/zinc/19/92/88/173199288.db2.gz	ZTKKNEHYSOHUTE-CQSZACIVSA-N	2	2	289.250	4.115	10	0		CIAELP
CC(C)C[N@H+](C(C)C)[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+]	ZINC000043052765	174961045	/nfs/dbraw/zinc/96/10/45/174961045.db2.gz	JDMKDZOZQCQNRJ-CZUORRHYSA-N	2	2	282.859	4.095	10	0		CIAELP
CC(C)C[N@@H+](C(C)C)[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+]	ZINC000043052765	174961046	/nfs/dbraw/zinc/96/10/46/174961046.db2.gz	JDMKDZOZQCQNRJ-CZUORRHYSA-N	2	2	282.859	4.095	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@@H+]2CCCC[C@H]2C)CC1	ZINC000021022151	171290793	/nfs/dbraw/zinc/29/07/93/171290793.db2.gz	AQXVWQQKXNGTHP-KLHKWILBSA-N	2	2	280.500	4.185	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@H+]2CCCC[C@H]2C)CC1	ZINC000021022151	171290794	/nfs/dbraw/zinc/29/07/94/171290794.db2.gz	AQXVWQQKXNGTHP-KLHKWILBSA-N	2	2	280.500	4.185	10	0		CIAELP
CC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(C)(C)CC)CC1	ZINC000021799014	171325502	/nfs/dbraw/zinc/32/55/02/171325502.db2.gz	ADGNFFAZRSLFIN-OFLPRAFFSA-N	2	2	280.500	4.055	10	0		CIAELP
CC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C(C)(C)CC)CC1	ZINC000021799014	171325504	/nfs/dbraw/zinc/32/55/04/171325504.db2.gz	ADGNFFAZRSLFIN-OFLPRAFFSA-N	2	2	280.500	4.055	10	0		CIAELP
CC[NH+](CC)[C@@H](C[NH2+]C1CCCCCC1)c1ccccc1	ZINC000021820005	171334165	/nfs/dbraw/zinc/33/41/65/171334165.db2.gz	MILXSDBRVFARAB-IBGZPJMESA-N	2	2	288.479	4.382	10	0		CIAELP
CC[NH+](CC)[C@H](C[NH2+][C@H](C)CCC(C)C)c1ccccc1	ZINC000022147717	171357377	/nfs/dbraw/zinc/35/73/77/171357377.db2.gz	WYWPHLHELZCHIW-IEBWSBKVSA-N	2	2	290.495	4.484	10	0		CIAELP
CC(C)c1ccc([C@@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1	ZINC000039789043	174173411	/nfs/dbraw/zinc/17/34/11/174173411.db2.gz	MMQNYSUSKZFCLK-RVKKMQEKSA-N	2	2	274.452	4.073	10	0		CIAELP
CC(C)c1ccc([C@@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1	ZINC000039789043	174173412	/nfs/dbraw/zinc/17/34/12/174173412.db2.gz	MMQNYSUSKZFCLK-RVKKMQEKSA-N	2	2	274.452	4.073	10	0		CIAELP
CC[NH+](CC)CCCn1c2ccccc2[nH+]c1C(C)(C)C	ZINC000040389551	174252522	/nfs/dbraw/zinc/25/25/22/174252522.db2.gz	NOSRSKNDRKFBQT-UHFFFAOYSA-N	2	2	287.451	4.066	10	0		CIAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc(C)c2)C1	ZINC000173698643	261169335	/nfs/dbraw/zinc/16/93/35/261169335.db2.gz	NYSQSYUVJKAKRS-FUHWJXTLSA-N	2	2	297.446	4.152	10	0		CIAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)c2cccc(C)c2)C1	ZINC000173698643	261169337	/nfs/dbraw/zinc/16/93/37/261169337.db2.gz	NYSQSYUVJKAKRS-FUHWJXTLSA-N	2	2	297.446	4.152	10	0		CIAELP
C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccs1	ZINC000151672287	525610829	/nfs/dbraw/zinc/61/08/29/525610829.db2.gz	RTMFICJNRCPYIH-UONOGXRCSA-N	2	2	297.427	4.346	10	0		CIAELP
CCCCCC[NH2+]CC1([NH+]2CCCCC2)CCCCC1	ZINC000020361608	171160230	/nfs/dbraw/zinc/16/02/30/171160230.db2.gz	FLKJTMXLSBUPMB-UHFFFAOYSA-N	2	2	280.500	4.345	10	0		CIAELP
CCCC[NH+](CCCC)C(C[NH3+])(CCC)CCC	ZINC000020484924	171224104	/nfs/dbraw/zinc/22/41/04/171224104.db2.gz	USRFHVCXTDQYGZ-UHFFFAOYSA-N	2	2	256.478	4.186	10	0		CIAELP
CCCC[NH+](CCCC)[C@](C)(C[NH3+])CCC(C)C	ZINC000020484904	171224341	/nfs/dbraw/zinc/22/43/41/171224341.db2.gz	VPGVGPOVMVZDMI-INIZCTEOSA-N	2	2	256.478	4.042	10	0		CIAELP
CCCC[N@H+](CC)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1	ZINC000020546818	171244609	/nfs/dbraw/zinc/24/46/09/171244609.db2.gz	FBSYDWHCPWAMDU-KRWDZBQOSA-N	2	2	276.468	4.106	10	0		CIAELP
CCCC[N@@H+](CC)[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1	ZINC000020546818	171244611	/nfs/dbraw/zinc/24/46/11/171244611.db2.gz	FBSYDWHCPWAMDU-KRWDZBQOSA-N	2	2	276.468	4.106	10	0		CIAELP
CCC(CC)C[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC	ZINC000020558881	171251281	/nfs/dbraw/zinc/25/12/81/171251281.db2.gz	MPJPLSWKLQVJSH-GOSISDBHSA-N	2	2	276.468	4.095	10	0		CIAELP
C[N@H+]([C@H](C[NH3+])c1ccc(C(C)(C)C)cc1)C1CCCCC1	ZINC000021011917	171287621	/nfs/dbraw/zinc/28/76/21/171287621.db2.gz	YAYVYKTWPSEVNU-GOSISDBHSA-N	2	2	288.479	4.248	10	0		CIAELP
C[N@@H+]([C@H](C[NH3+])c1ccc(C(C)(C)C)cc1)C1CCCCC1	ZINC000021011917	171287622	/nfs/dbraw/zinc/28/76/22/171287622.db2.gz	YAYVYKTWPSEVNU-GOSISDBHSA-N	2	2	288.479	4.248	10	0		CIAELP
C[C@H]([NH2+]CCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1Cl	ZINC000021060517	171296840	/nfs/dbraw/zinc/29/68/40/171296840.db2.gz	MGPQNZOUZAMPOM-GJZGRUSLSA-N	2	2	294.870	4.255	10	0		CIAELP
C[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccccc1Cl	ZINC000021060517	171296841	/nfs/dbraw/zinc/29/68/41/171296841.db2.gz	MGPQNZOUZAMPOM-GJZGRUSLSA-N	2	2	294.870	4.255	10	0		CIAELP
CCCC[N@H+](C)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000021062668	171297505	/nfs/dbraw/zinc/29/75/05/171297505.db2.gz	WLZUPZGQJWQLBT-DLBZAZTESA-N	2	2	268.489	4.329	10	0		CIAELP
CCCC[N@@H+](C)[C@@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000021062668	171297507	/nfs/dbraw/zinc/29/75/07/171297507.db2.gz	WLZUPZGQJWQLBT-DLBZAZTESA-N	2	2	268.489	4.329	10	0		CIAELP
CCC[NH+](CCC)[C@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+]	ZINC000021511052	171310036	/nfs/dbraw/zinc/31/00/36/171310036.db2.gz	OCPYSDPGVAOKNM-JYJNAYRXSA-N	2	2	268.489	4.041	10	0		CIAELP
C[C@H]1C[C@@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC(C)(C)C1	ZINC000021511481	171310655	/nfs/dbraw/zinc/31/06/55/171310655.db2.gz	PLDYPEKRFIZVHB-JQHSSLGASA-N	2	2	288.479	4.094	10	0		CIAELP
CC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C(C)(C)CC)CC1	ZINC000021799018	171325457	/nfs/dbraw/zinc/32/54/57/171325457.db2.gz	ADGNFFAZRSLFIN-JCYILVPMSA-N	2	2	280.500	4.055	10	0		CIAELP
CC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C(C)(C)CC)CC1	ZINC000021799018	171325458	/nfs/dbraw/zinc/32/54/58/171325458.db2.gz	ADGNFFAZRSLFIN-JCYILVPMSA-N	2	2	280.500	4.055	10	0		CIAELP
CCCCCC(CCCCC)[NH2+]CC[NH+]1CCCC1	ZINC000037228686	173049536	/nfs/dbraw/zinc/04/95/36/173049536.db2.gz	GYQZDWJKIPSUBZ-UHFFFAOYSA-N	2	2	268.489	4.201	10	0		CIAELP
Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)c2cccs2)c(C)[nH+]1	ZINC000037235388	173053628	/nfs/dbraw/zinc/05/36/28/173053628.db2.gz	XUSPGNIGOLZIKI-GXTWGEPZSA-N	2	2	274.433	4.480	10	0		CIAELP
C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)s1	ZINC000227537194	333285353	/nfs/dbraw/zinc/28/53/53/333285353.db2.gz	MXZAMYXKGXKNDF-BIMULSAOSA-N	2	2	292.835	4.197	10	0		CIAELP
CC(C)[C@H](C[NH2+]C(C)(C)C)[N@H+](C)[C@@H](C)c1cccs1	ZINC000052506406	519815783	/nfs/dbraw/zinc/81/57/83/519815783.db2.gz	HMJACECPKMCXFA-KBPBESRZSA-N	2	2	282.497	4.154	10	0		CIAELP
CC(C)[C@H](C[NH2+]C(C)(C)C)[N@@H+](C)[C@@H](C)c1cccs1	ZINC000052506406	519815784	/nfs/dbraw/zinc/81/57/84/519815784.db2.gz	HMJACECPKMCXFA-KBPBESRZSA-N	2	2	282.497	4.154	10	0		CIAELP
C[C@@H]([NH2+][C@@H](C)c1cccs1)c1cccc(-n2cc[nH+]c2)c1	ZINC000151672217	525615901	/nfs/dbraw/zinc/61/59/01/525615901.db2.gz	RTMFICJNRCPYIH-KGLIPLIRSA-N	2	2	297.427	4.346	10	0		CIAELP
Cc1[nH+]c2ccccc2n1[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1[NH3+]	ZINC000020564522	171253448	/nfs/dbraw/zinc/25/34/48/171253448.db2.gz	JKFXNFVAWMZPDR-KEYYUXOJSA-N	2	2	285.435	4.059	10	0		CIAELP
C1C[NH+]2CCC1[C@H]([NH2+]C1CCCCCCCCCCC1)C2	ZINC000021520730	171316134	/nfs/dbraw/zinc/31/61/34/171316134.db2.gz	MJWPNGGRTQNBCS-LJQANCHMSA-N	2	2	292.511	4.344	10	0		CIAELP
C[C@@H]([NH2+]CCC[NH+]1CCC(C)CC1)c1ccccc1Cl	ZINC000021811960	171329454	/nfs/dbraw/zinc/32/94/54/171329454.db2.gz	DVPKISQBJXDLEL-OAHLLOKOSA-N	2	2	294.870	4.113	10	0		CIAELP
CCC[NH+](CCC)[C@@H](C[NH3+])c1cccc(Cl)c1Cl	ZINC000022148812	171357583	/nfs/dbraw/zinc/35/75/83/171357583.db2.gz	IDSCJOHDDZCBOQ-ZDUSSCGKSA-N	2	2	289.250	4.115	10	0		CIAELP
C[N@H+](C1CCCCC1)C1(C[NH3+])CCC(C(C)(C)C)CC1	ZINC000035176690	172030437	/nfs/dbraw/zinc/03/04/37/172030437.db2.gz	BNMOTDWVLPDVSE-UHFFFAOYSA-N	2	2	280.500	4.185	10	0		CIAELP
C[N@@H+](C1CCCCC1)C1(C[NH3+])CCC(C(C)(C)C)CC1	ZINC000035176690	172030440	/nfs/dbraw/zinc/03/04/40/172030440.db2.gz	BNMOTDWVLPDVSE-UHFFFAOYSA-N	2	2	280.500	4.185	10	0		CIAELP
C[C@H](c1ccc(Cl)cc1Cl)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000040749115	174393734	/nfs/dbraw/zinc/39/37/34/174393734.db2.gz	FOJWWJAXGQTGJL-NSNUZPRRSA-N	2	2	299.245	4.009	10	0		CIAELP
C[C@H](c1ccc(Cl)cc1Cl)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000040749115	174393735	/nfs/dbraw/zinc/39/37/35/174393735.db2.gz	FOJWWJAXGQTGJL-NSNUZPRRSA-N	2	2	299.245	4.009	10	0		CIAELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1	ZINC000106212499	330333830	/nfs/dbraw/zinc/33/38/30/330333830.db2.gz	FTVYVGAVQSGWHL-ROUUACIJSA-N	2	2	297.446	4.234	10	0		CIAELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](CC)c2ccccc2)C1	ZINC000106212499	330333831	/nfs/dbraw/zinc/33/38/31/330333831.db2.gz	FTVYVGAVQSGWHL-ROUUACIJSA-N	2	2	297.446	4.234	10	0		CIAELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1	ZINC000247527587	334284274	/nfs/dbraw/zinc/28/42/74/334284274.db2.gz	NYSQSYUVJKAKRS-AEFFLSMTSA-N	2	2	297.446	4.152	10	0		CIAELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)C1	ZINC000247527587	334284275	/nfs/dbraw/zinc/28/42/75/334284275.db2.gz	NYSQSYUVJKAKRS-AEFFLSMTSA-N	2	2	297.446	4.152	10	0		CIAELP
CC(C)C[NH2+]C[C@@H](C(C)C)[N@H+](C)[C@@H](C)c1cccs1	ZINC000052506409	519744633	/nfs/dbraw/zinc/74/46/33/519744633.db2.gz	MDOGIIAWRXORIP-GJZGRUSLSA-N	2	2	282.497	4.011	10	0		CIAELP
CC(C)C[NH2+]C[C@@H](C(C)C)[N@@H+](C)[C@@H](C)c1cccs1	ZINC000052506409	519744635	/nfs/dbraw/zinc/74/46/35/519744635.db2.gz	MDOGIIAWRXORIP-GJZGRUSLSA-N	2	2	282.497	4.011	10	0		CIAELP
CCC(CC)C[N@H+](CC)[C@H](C[NH3+])c1cccc(Cl)c1	ZINC000109679139	186268634	/nfs/dbraw/zinc/26/86/34/186268634.db2.gz	BWAKXXHJDIBAQU-MRXNPFEDSA-N	2	2	282.859	4.098	10	0		CIAELP
CCC(CC)C[N@@H+](CC)[C@H](C[NH3+])c1cccc(Cl)c1	ZINC000109679139	186268636	/nfs/dbraw/zinc/26/86/36/186268636.db2.gz	BWAKXXHJDIBAQU-MRXNPFEDSA-N	2	2	282.859	4.098	10	0		CIAELP
CCCC[NH+](CCCC)[C@@H](C[NH3+])c1ccc(Cl)cc1	ZINC000020484813	171224527	/nfs/dbraw/zinc/22/45/27/171224527.db2.gz	ZCOSLCWPCJYJKV-INIZCTEOSA-N	2	2	282.859	4.242	10	0		CIAELP
CC[NH+](CC)[C@@H](C[NH2+][C@@H]1CCC[C@@H](C)C1)c1ccccc1	ZINC000021049895	171294717	/nfs/dbraw/zinc/29/47/17/171294717.db2.gz	PAJGWFTXZIOGIC-QRQLOZEOSA-N	2	2	288.479	4.238	10	0		CIAELP
[NH3+][C@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCCC1	ZINC000021517469	171313770	/nfs/dbraw/zinc/31/37/70/171313770.db2.gz	IVLLTKKNYKEQTJ-ROUUACIJSA-N	2	2	280.500	4.473	10	0		CIAELP
C1C[NH+]2CCC1[C@@H]([NH2+]C1CCCCCCCCCCC1)C2	ZINC000021520731	171316016	/nfs/dbraw/zinc/31/60/16/171316016.db2.gz	MJWPNGGRTQNBCS-IBGZPJMESA-N	2	2	292.511	4.344	10	0		CIAELP
CC[C@@H](C)C[C@](CC)(C[NH3+])[N@H+](CC)C1CCCCC1	ZINC000035176733	172029864	/nfs/dbraw/zinc/02/98/64/172029864.db2.gz	NKYORAGWJSVATB-NVXWUHKLSA-N	2	2	268.489	4.185	10	0		CIAELP
CC[C@@H](C)C[C@](CC)(C[NH3+])[N@@H+](CC)C1CCCCC1	ZINC000035176733	172029866	/nfs/dbraw/zinc/02/98/66/172029866.db2.gz	NKYORAGWJSVATB-NVXWUHKLSA-N	2	2	268.489	4.185	10	0		CIAELP
CCCCCC[C@@](C)(C[NH3+])[N@H+](CC)C1CCCCC1	ZINC000035176753	172029926	/nfs/dbraw/zinc/02/99/26/172029926.db2.gz	CFNPBEGMMLXUNA-KRWDZBQOSA-N	2	2	268.489	4.329	10	0		CIAELP
CCCCCC[C@@](C)(C[NH3+])[N@@H+](CC)C1CCCCC1	ZINC000035176753	172029928	/nfs/dbraw/zinc/02/99/28/172029928.db2.gz	CFNPBEGMMLXUNA-KRWDZBQOSA-N	2	2	268.489	4.329	10	0		CIAELP
Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)c2cccs2)c(C)[nH+]1	ZINC000037235392	173053099	/nfs/dbraw/zinc/05/30/99/173053099.db2.gz	XUSPGNIGOLZIKI-TZMCWYRMSA-N	2	2	274.433	4.480	10	0		CIAELP
C[NH+](C)CCCn1c2ccccc2[nH+]c1C1CCCCC1	ZINC000040389624	174252176	/nfs/dbraw/zinc/25/21/76/174252176.db2.gz	LOSWKTKHMKSEKU-UHFFFAOYSA-N	2	2	285.435	4.036	10	0		CIAELP
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1	ZINC000151717436	261054206	/nfs/dbraw/zinc/05/42/06/261054206.db2.gz	VHGDMELZXRYENM-CABCVRRESA-N	2	2	295.386	4.186	10	0		CIAELP
C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)s1	ZINC000227537176	333285260	/nfs/dbraw/zinc/28/52/60/333285260.db2.gz	MXZAMYXKGXKNDF-ZWKOPEQDSA-N	2	2	292.835	4.197	10	0		CIAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](CC)c2ccccc2)C1	ZINC000247558877	334285658	/nfs/dbraw/zinc/28/56/58/334285658.db2.gz	FTVYVGAVQSGWHL-QZTJIDSGSA-N	2	2	297.446	4.234	10	0		CIAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1	ZINC000247558877	334285660	/nfs/dbraw/zinc/28/56/60/334285660.db2.gz	FTVYVGAVQSGWHL-QZTJIDSGSA-N	2	2	297.446	4.234	10	0		CIAELP
C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccs1	ZINC000151672146	525535435	/nfs/dbraw/zinc/53/54/35/525535435.db2.gz	RTMFICJNRCPYIH-KBPBESRZSA-N	2	2	297.427	4.346	10	0		CIAELP
CCCC[NH+](CCCC)C1(C[NH3+])CCC(CC)CC1	ZINC000020362695	171161961	/nfs/dbraw/zinc/16/19/61/171161961.db2.gz	LTFVWXKBNPMJOW-UHFFFAOYSA-N	2	2	268.489	4.186	10	0		CIAELP
CCCC[NH+](CCCC)[C@@](C)(C[NH3+])CCC(C)C	ZINC000020484902	171224610	/nfs/dbraw/zinc/22/46/10/171224610.db2.gz	VPGVGPOVMVZDMI-MRXNPFEDSA-N	2	2	256.478	4.042	10	0		CIAELP
C[C@@H]1CCC[N@@H+]([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C1	ZINC000021011936	171287653	/nfs/dbraw/zinc/28/76/53/171287653.db2.gz	FABUEEXFIHPCIW-FGTMMUONSA-N	2	2	280.500	4.329	10	0		CIAELP
C[C@@H]1CCC[N@H+]([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C1	ZINC000021011936	171287655	/nfs/dbraw/zinc/28/76/55/171287655.db2.gz	FABUEEXFIHPCIW-FGTMMUONSA-N	2	2	280.500	4.329	10	0		CIAELP
C[C@H]1CCC[N@@H+]([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C1	ZINC000021011937	171287725	/nfs/dbraw/zinc/28/77/25/171287725.db2.gz	FABUEEXFIHPCIW-OKZBNKHCSA-N	2	2	280.500	4.329	10	0		CIAELP
C[C@H]1CCC[N@H+]([C@@H]2CCCCCCCCCC[C@@H]2[NH3+])C1	ZINC000021011937	171287727	/nfs/dbraw/zinc/28/77/27/171287727.db2.gz	FABUEEXFIHPCIW-OKZBNKHCSA-N	2	2	280.500	4.329	10	0		CIAELP
[NH3+][C@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCC1	ZINC000021499753	171304596	/nfs/dbraw/zinc/30/45/96/171304596.db2.gz	NUDNOPCBPQXIST-IRXDYDNUSA-N	2	2	266.473	4.083	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([NH+]2CCCCCC2)CC1	ZINC000021790457	171323932	/nfs/dbraw/zinc/32/39/32/171323932.db2.gz	OCNLJRAYJSXGOQ-UHFFFAOYSA-N	2	2	280.500	4.186	10	0		CIAELP
CC[NH+](CC)[C@H](C[NH2+]C1CCCCCC1)c1ccccc1	ZINC000021820007	171334058	/nfs/dbraw/zinc/33/40/58/171334058.db2.gz	MILXSDBRVFARAB-LJQANCHMSA-N	2	2	288.479	4.382	10	0		CIAELP
CC[NH+](CC)[C@H](C[NH2+][C@@H](C)CCC(C)C)c1ccccc1	ZINC000022147708	171357396	/nfs/dbraw/zinc/35/73/96/171357396.db2.gz	WYWPHLHELZCHIW-PKOBYXMFSA-N	2	2	290.495	4.484	10	0		CIAELP
C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)s1	ZINC000131990002	327165993	/nfs/dbraw/zinc/16/59/93/327165993.db2.gz	MXZAMYXKGXKNDF-XDTLVQLUSA-N	2	2	292.835	4.197	10	0		CIAELP
C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)c1cccs1	ZINC000151672356	525663300	/nfs/dbraw/zinc/66/33/00/525663300.db2.gz	RTMFICJNRCPYIH-ZIAGYGMSSA-N	2	2	297.427	4.346	10	0		CIAELP
CCCC[C@@H](CC)C[N@@H+]1CCCC[C@@H]1C[NH2+]C(C)C	ZINC000104449569	186005833	/nfs/dbraw/zinc/00/58/33/186005833.db2.gz	YGNDEVIFCPFKSS-IAGOWNOFSA-N	2	2	268.489	4.055	10	0		CIAELP
CCCC[C@@H](CC)C[N@H+]1CCCC[C@@H]1C[NH2+]C(C)C	ZINC000104449569	186005835	/nfs/dbraw/zinc/00/58/35/186005835.db2.gz	YGNDEVIFCPFKSS-IAGOWNOFSA-N	2	2	268.489	4.055	10	0		CIAELP
CCCC[N@H+](CC)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1	ZINC000020546819	171244683	/nfs/dbraw/zinc/24/46/83/171244683.db2.gz	FBSYDWHCPWAMDU-QGZVFWFLSA-N	2	2	276.468	4.106	10	0		CIAELP
CCCC[N@@H+](CC)[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1	ZINC000020546819	171244684	/nfs/dbraw/zinc/24/46/84/171244684.db2.gz	FBSYDWHCPWAMDU-QGZVFWFLSA-N	2	2	276.468	4.106	10	0		CIAELP
CC[NH+](CC)[C@H](C[NH2+][C@H]1CCC[C@@H](C)C1)c1ccccc1	ZINC000021049913	171294719	/nfs/dbraw/zinc/29/47/19/171294719.db2.gz	PAJGWFTXZIOGIC-NZSAHSFTSA-N	2	2	288.479	4.238	10	0		CIAELP
CC[NH+](CC)[C@H](C[NH2+][C@H]1CCCC[C@@H]1C)c1ccccc1	ZINC000021500944	171305453	/nfs/dbraw/zinc/30/54/53/171305453.db2.gz	VAFMQUQBBSWEHB-YTQUADARSA-N	2	2	288.479	4.238	10	0		CIAELP
CC[N@H+]([C@@H](C[NH3+])c1ccc([C@@H]2C[C@@H]2C)o1)C1CCCCC1	ZINC000021817464	171333431	/nfs/dbraw/zinc/33/34/31/171333431.db2.gz	XFUMKELCYDFLFX-IMJJTQAJSA-N	2	2	290.451	4.057	10	0		CIAELP
CC[N@@H+]([C@@H](C[NH3+])c1ccc([C@@H]2C[C@@H]2C)o1)C1CCCCC1	ZINC000021817464	171333433	/nfs/dbraw/zinc/33/34/33/171333433.db2.gz	XFUMKELCYDFLFX-IMJJTQAJSA-N	2	2	290.451	4.057	10	0		CIAELP
CC(C)c1ccc([C@H](C[NH3+])[N@H+]2[C@H](C)CCC[C@@H]2C)cc1	ZINC000039789042	174173794	/nfs/dbraw/zinc/17/37/94/174173794.db2.gz	MMQNYSUSKZFCLK-DAYGRLMNSA-N	2	2	274.452	4.073	10	0		CIAELP
CC(C)c1ccc([C@H](C[NH3+])[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1	ZINC000039789042	174173796	/nfs/dbraw/zinc/17/37/96/174173796.db2.gz	MMQNYSUSKZFCLK-DAYGRLMNSA-N	2	2	274.452	4.073	10	0		CIAELP
C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1	ZINC000039789047	174173824	/nfs/dbraw/zinc/17/38/24/174173824.db2.gz	WELXSZRICWNRPA-DAYGRLMNSA-N	2	2	288.479	4.247	10	0		CIAELP
C[C@@H]1CCC[C@H](C)[N@@H+]1[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1	ZINC000039789047	174173826	/nfs/dbraw/zinc/17/38/26/174173826.db2.gz	WELXSZRICWNRPA-DAYGRLMNSA-N	2	2	288.479	4.247	10	0		CIAELP
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)o1	ZINC000151717361	261054341	/nfs/dbraw/zinc/05/43/41/261054341.db2.gz	VHGDMELZXRYENM-HUUCEWRRSA-N	2	2	295.386	4.186	10	0		CIAELP
CCCCC[N@H+](C)[C@H](C[NH3+])c1csc2ccccc21	ZINC000054464061	520154829	/nfs/dbraw/zinc/15/48/29/520154829.db2.gz	BVHPGQCUXAPLGF-OAHLLOKOSA-N	2	2	276.449	4.023	10	0		CIAELP
CCCCC[N@@H+](C)[C@H](C[NH3+])c1csc2ccccc21	ZINC000054464061	520154838	/nfs/dbraw/zinc/15/48/38/520154838.db2.gz	BVHPGQCUXAPLGF-OAHLLOKOSA-N	2	2	276.449	4.023	10	0		CIAELP
CCC[NH+](CCC)[C@H](C[NH3+])c1csc2ccccc21	ZINC000054463949	521649894	/nfs/dbraw/zinc/64/98/94/521649894.db2.gz	UUWOQINRAAJROO-OAHLLOKOSA-N	2	2	276.449	4.023	10	0		CIAELP
CCCCCC[N@H+](CCC)C1(C[NH3+])CCC(C)CC1	ZINC000110106671	186285813	/nfs/dbraw/zinc/28/58/13/186285813.db2.gz	WYGSKEDQUAYBFP-UHFFFAOYSA-N	2	2	268.489	4.186	10	0		CIAELP
CCCCCC[N@@H+](CCC)C1(C[NH3+])CCC(C)CC1	ZINC000110106671	186285814	/nfs/dbraw/zinc/28/58/14/186285814.db2.gz	WYGSKEDQUAYBFP-UHFFFAOYSA-N	2	2	268.489	4.186	10	0		CIAELP
[NH3+]CC1([NH+]2CCCCC2)CCCCCCCCCCC1	ZINC000020547644	171245119	/nfs/dbraw/zinc/24/51/19/171245119.db2.gz	IFFFXENTDXJIOK-UHFFFAOYSA-N	2	2	280.500	4.475	10	0		CIAELP
CCCC1CCC([NH2+][C@H](C[NH+](C)C)c2ccccc2)CC1	ZINC000020548556	171245797	/nfs/dbraw/zinc/24/57/97/171245797.db2.gz	CODYOSSZKHBEJJ-NKELODKYSA-N	2	2	288.479	4.238	10	0		CIAELP
[NH3+][C@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCC1	ZINC000021499757	171304409	/nfs/dbraw/zinc/30/44/09/171304409.db2.gz	NUDNOPCBPQXIST-DLBZAZTESA-N	2	2	266.473	4.083	10	0		CIAELP
C[C@H]1C[C@H]([NH2+][C@@H](C[NH+](C)C)c2ccccc2)CC(C)(C)C1	ZINC000021511484	171310550	/nfs/dbraw/zinc/31/05/50/171310550.db2.gz	PLDYPEKRFIZVHB-SZMVWBNQSA-N	2	2	288.479	4.094	10	0		CIAELP
CCC[NH+](CCC)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1	ZINC000021790964	171323798	/nfs/dbraw/zinc/32/37/98/171323798.db2.gz	KPINGSADBQBUMV-AWEZNQCLSA-N	2	2	289.250	4.115	10	0		CIAELP
CC[NH+](CC)[C@@H](C[NH2+][C@H](C)CCC(C)C)c1ccccc1	ZINC000022147713	171357126	/nfs/dbraw/zinc/35/71/26/171357126.db2.gz	WYWPHLHELZCHIW-MJGOQNOKSA-N	2	2	290.495	4.484	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([NH+]2C[C@H](C)C[C@@H](C)C2)CC1	ZINC000022151207	171358763	/nfs/dbraw/zinc/35/87/63/171358763.db2.gz	HLBPBMAINRQWKJ-HNXFYBAISA-N	2	2	294.527	4.288	10	0		CIAELP
CCC(CC)[N@H+](C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424971	173199218	/nfs/dbraw/zinc/19/92/18/173199218.db2.gz	OWQDHPDOVGSKJT-CQSZACIVSA-N	2	2	289.250	4.114	10	0		CIAELP
CCC(CC)[N@@H+](C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424971	173199220	/nfs/dbraw/zinc/19/92/20/173199220.db2.gz	OWQDHPDOVGSKJT-CQSZACIVSA-N	2	2	289.250	4.114	10	0		CIAELP
CCCCC[N@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424906	173199401	/nfs/dbraw/zinc/19/94/01/173199401.db2.gz	RGMZVORXFQXADR-AWEZNQCLSA-N	2	2	289.250	4.115	10	0		CIAELP
CCCCC[N@@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424906	173199404	/nfs/dbraw/zinc/19/94/04/173199404.db2.gz	RGMZVORXFQXADR-AWEZNQCLSA-N	2	2	289.250	4.115	10	0		CIAELP
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)o1	ZINC000151717284	261054434	/nfs/dbraw/zinc/05/44/34/261054434.db2.gz	VHGDMELZXRYENM-GJZGRUSLSA-N	2	2	295.386	4.186	10	0		CIAELP
C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)s1	ZINC000131989548	327165941	/nfs/dbraw/zinc/16/59/41/327165941.db2.gz	MXZAMYXKGXKNDF-TVYUQYBPSA-N	2	2	292.835	4.197	10	0		CIAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1	ZINC000106212498	330333740	/nfs/dbraw/zinc/33/37/40/330333740.db2.gz	FTVYVGAVQSGWHL-MSOLQXFVSA-N	2	2	297.446	4.234	10	0		CIAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](CC)c2ccccc2)C1	ZINC000106212498	330333741	/nfs/dbraw/zinc/33/37/41/330333741.db2.gz	FTVYVGAVQSGWHL-MSOLQXFVSA-N	2	2	297.446	4.234	10	0		CIAELP
CCCCCC[NH2+]C[C@H](c1ccccc1)[NH+](CC)CC	ZINC000020361807	171160483	/nfs/dbraw/zinc/16/04/83/171160483.db2.gz	WYCNKQUGTDBZCE-GOSISDBHSA-N	2	2	276.468	4.239	10	0		CIAELP
C([C@@H]1CCCC[NH2+]1)[NH+](C1CCCCC1)C1CCCCC1	ZINC000020563216	171252704	/nfs/dbraw/zinc/25/27/04/171252704.db2.gz	CZMSSOJZFCAWGM-INIZCTEOSA-N	2	2	278.484	4.096	10	0		CIAELP
C(C[NH+]1CCCC1)[NH2+]C1CCCCCCCCCCC1	ZINC000021032123	171292115	/nfs/dbraw/zinc/29/21/15/171292115.db2.gz	SFZVIDXNLRZLMQ-UHFFFAOYSA-N	2	2	280.500	4.345	10	0		CIAELP
CCCC[N@H+](C)[C@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000021062671	171297465	/nfs/dbraw/zinc/29/74/65/171297465.db2.gz	WLZUPZGQJWQLBT-IRXDYDNUSA-N	2	2	268.489	4.329	10	0		CIAELP
CCCC[N@@H+](C)[C@H]1CCCCCCCCCC[C@@H]1[NH3+]	ZINC000021062671	171297467	/nfs/dbraw/zinc/29/74/67/171297467.db2.gz	WLZUPZGQJWQLBT-IRXDYDNUSA-N	2	2	268.489	4.329	10	0		CIAELP
CC[NH+](CC)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C)c1ccccc1	ZINC000021500941	171305530	/nfs/dbraw/zinc/30/55/30/171305530.db2.gz	VAFMQUQBBSWEHB-QXAKKESOSA-N	2	2	288.479	4.238	10	0		CIAELP
[NH3+][C@@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCCC1	ZINC000021517470	171313731	/nfs/dbraw/zinc/31/37/31/171313731.db2.gz	IVLLTKKNYKEQTJ-QZTJIDSGSA-N	2	2	280.500	4.473	10	0		CIAELP
C[C@@H]1CCC[C@H](C)[N@H+]1[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1	ZINC000039789049	174173815	/nfs/dbraw/zinc/17/38/15/174173815.db2.gz	WELXSZRICWNRPA-RVKKMQEKSA-N	2	2	288.479	4.247	10	0		CIAELP
C[C@@H]1CCC[C@H](C)[N@@H+]1[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1	ZINC000039789049	174173816	/nfs/dbraw/zinc/17/38/16/174173816.db2.gz	WELXSZRICWNRPA-RVKKMQEKSA-N	2	2	288.479	4.247	10	0		CIAELP
CCCC[NH+](CCCC)[C@H](c1cccs1)[C@@H](C)[NH3+]	ZINC000043103236	174968755	/nfs/dbraw/zinc/96/87/55/174968755.db2.gz	AJOYAKVUWRJGRP-HIFRSBDPSA-N	2	2	268.470	4.039	10	0		CIAELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](CC)c2ccccc2)C1	ZINC000247558886	334285724	/nfs/dbraw/zinc/28/57/24/334285724.db2.gz	FTVYVGAVQSGWHL-ZWKOTPCHSA-N	2	2	297.446	4.234	10	0		CIAELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](CC)c2ccccc2)C1	ZINC000247558886	334285725	/nfs/dbraw/zinc/28/57/25/334285725.db2.gz	FTVYVGAVQSGWHL-ZWKOTPCHSA-N	2	2	297.446	4.234	10	0		CIAELP
CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@H+](C)[C@@H](C)c1cccs1	ZINC000052506405	519794862	/nfs/dbraw/zinc/79/48/62/519794862.db2.gz	HMJACECPKMCXFA-UONOGXRCSA-N	2	2	282.497	4.154	10	0		CIAELP
CC(C)[C@@H](C[NH2+]C(C)(C)C)[N@@H+](C)[C@@H](C)c1cccs1	ZINC000052506405	519794863	/nfs/dbraw/zinc/79/48/63/519794863.db2.gz	HMJACECPKMCXFA-UONOGXRCSA-N	2	2	282.497	4.154	10	0		CIAELP
CCCC[NH+](CCCC)[C@H](C[NH3+])c1ccc(Cl)cc1	ZINC000020484816	171224723	/nfs/dbraw/zinc/22/47/23/171224723.db2.gz	ZCOSLCWPCJYJKV-MRXNPFEDSA-N	2	2	282.859	4.242	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@@H+]2CCCC[C@@H]2C)CC1	ZINC000021022144	171290742	/nfs/dbraw/zinc/29/07/42/171290742.db2.gz	AQXVWQQKXNGTHP-HJOIGYKYSA-N	2	2	280.500	4.185	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@H+]2CCCC[C@@H]2C)CC1	ZINC000021022144	171290743	/nfs/dbraw/zinc/29/07/43/171290743.db2.gz	AQXVWQQKXNGTHP-HJOIGYKYSA-N	2	2	280.500	4.185	10	0		CIAELP
CCC[NH+](CCC)[C@@H]1C[C@@H](C(C)(C)CC)CC[C@@H]1[NH3+]	ZINC000021511050	171310224	/nfs/dbraw/zinc/31/02/24/171310224.db2.gz	OCPYSDPGVAOKNM-HRCADAONSA-N	2	2	268.489	4.041	10	0		CIAELP
CC[NH+](CC)[C@@H](C[NH2+][C@@H](C)CCC(C)C)c1ccccc1	ZINC000022147703	171357380	/nfs/dbraw/zinc/35/73/80/171357380.db2.gz	WYWPHLHELZCHIW-HKUYNNGSSA-N	2	2	290.495	4.484	10	0		CIAELP
CC[C@H](C)C[C@@](CC)(C[NH3+])[N@H+](CC)C1CCCCC1	ZINC000035176732	172030148	/nfs/dbraw/zinc/03/01/48/172030148.db2.gz	NKYORAGWJSVATB-RDJZCZTQSA-N	2	2	268.489	4.185	10	0		CIAELP
CC[C@H](C)C[C@@](CC)(C[NH3+])[N@@H+](CC)C1CCCCC1	ZINC000035176732	172030150	/nfs/dbraw/zinc/03/01/50/172030150.db2.gz	NKYORAGWJSVATB-RDJZCZTQSA-N	2	2	268.489	4.185	10	0		CIAELP
CCCCCC(CCCCC)[NH2+]CC(C)(C)[NH+](C)C	ZINC000037220403	173038741	/nfs/dbraw/zinc/03/87/41/173038741.db2.gz	RUZODCNAZSDXEI-UHFFFAOYSA-N	2	2	270.505	4.445	10	0		CIAELP
CCC(CC)[N@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424970	173198900	/nfs/dbraw/zinc/19/89/00/173198900.db2.gz	OWQDHPDOVGSKJT-AWEZNQCLSA-N	2	2	289.250	4.114	10	0		CIAELP
CCC(CC)[N@@H+](C)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424970	173198901	/nfs/dbraw/zinc/19/89/01/173198901.db2.gz	OWQDHPDOVGSKJT-AWEZNQCLSA-N	2	2	289.250	4.114	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@@H+]2CCC[C@H](C)C2)CC1	ZINC000021012451	171288192	/nfs/dbraw/zinc/28/81/92/171288192.db2.gz	QUYVSBXAFCZFBX-HJOIGYKYSA-N	2	2	280.500	4.042	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@H+]2CCC[C@H](C)C2)CC1	ZINC000021012451	171288193	/nfs/dbraw/zinc/28/81/93/171288193.db2.gz	QUYVSBXAFCZFBX-HJOIGYKYSA-N	2	2	280.500	4.042	10	0		CIAELP
[NH3+][C@@H]1CCCCCCCCCC[C@@H]1[NH+]1CCCCC1	ZINC000021499751	171304627	/nfs/dbraw/zinc/30/46/27/171304627.db2.gz	NUDNOPCBPQXIST-SJORKVTESA-N	2	2	266.473	4.083	10	0		CIAELP
CCC[NH+](CCC)[C@@H]1C[C@H](C(C)(C)CC)CC[C@@H]1[NH3+]	ZINC000021511054	171309960	/nfs/dbraw/zinc/30/99/60/171309960.db2.gz	OCPYSDPGVAOKNM-OWCLPIDISA-N	2	2	268.489	4.041	10	0		CIAELP
CCC[NH+](CCC)[C@H]1C[C@H](C(C)(C)CC)CC[C@@H]1[NH3+]	ZINC000021511056	171310132	/nfs/dbraw/zinc/31/01/32/171310132.db2.gz	OCPYSDPGVAOKNM-PMPSAXMXSA-N	2	2	268.489	4.041	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000022151203	171358634	/nfs/dbraw/zinc/35/86/34/171358634.db2.gz	HLBPBMAINRQWKJ-GIOYIUAESA-N	2	2	294.527	4.288	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000022151203	171358635	/nfs/dbraw/zinc/35/86/35/171358635.db2.gz	HLBPBMAINRQWKJ-GIOYIUAESA-N	2	2	294.527	4.288	10	0		CIAELP
CCCCC[N@H+](C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424907	173199550	/nfs/dbraw/zinc/19/95/50/173199550.db2.gz	RGMZVORXFQXADR-CQSZACIVSA-N	2	2	289.250	4.115	10	0		CIAELP
CCCCC[N@@H+](C)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424907	173199552	/nfs/dbraw/zinc/19/95/52/173199552.db2.gz	RGMZVORXFQXADR-CQSZACIVSA-N	2	2	289.250	4.115	10	0		CIAELP
C[C@@H](c1ccc(Cl)cc1Cl)[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000040749114	174393589	/nfs/dbraw/zinc/39/35/89/174393589.db2.gz	FOJWWJAXGQTGJL-SMHCIBLRSA-N	2	2	299.245	4.009	10	0		CIAELP
C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2	ZINC000040749114	174393590	/nfs/dbraw/zinc/39/35/90/174393590.db2.gz	FOJWWJAXGQTGJL-SMHCIBLRSA-N	2	2	299.245	4.009	10	0		CIAELP
CCCCCC[NH2+]C[C@@H](c1ccccc1)[NH+](CC)CC	ZINC000020361808	171160179	/nfs/dbraw/zinc/16/01/79/171160179.db2.gz	WYCNKQUGTDBZCE-SFHVURJKSA-N	2	2	276.468	4.239	10	0		CIAELP
C([C@H]1CCCC[NH2+]1)[NH+](C1CCCCC1)C1CCCCC1	ZINC000020563217	171252585	/nfs/dbraw/zinc/25/25/85/171252585.db2.gz	CZMSSOJZFCAWGM-MRXNPFEDSA-N	2	2	278.484	4.096	10	0		CIAELP
CC(C)(C)C1CCC(C[NH3+])([NH+]2CCCCCCC2)CC1	ZINC000021011998	171287638	/nfs/dbraw/zinc/28/76/38/171287638.db2.gz	QAMSFLYMXGKILZ-UHFFFAOYSA-N	2	2	280.500	4.186	10	0		CIAELP
[NH3+][C@H]1CCCCCCCCCC[C@H]1[NH+]1CCCCCC1	ZINC000021517471	171313726	/nfs/dbraw/zinc/31/37/26/171313726.db2.gz	IVLLTKKNYKEQTJ-ZWKOTPCHSA-N	2	2	280.500	4.473	10	0		CIAELP
CCC(C)(C)C1CCC(C[NH3+])([NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000022151211	171358590	/nfs/dbraw/zinc/35/85/90/171358590.db2.gz	HLBPBMAINRQWKJ-XNYRCJLNSA-N	2	2	294.527	4.288	10	0		CIAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)c2cccc(C)c2)C1	ZINC000247527596	334284238	/nfs/dbraw/zinc/28/42/38/334284238.db2.gz	NYSQSYUVJKAKRS-SJLPKXTDSA-N	2	2	297.446	4.152	10	0		CIAELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)c2cccc(C)c2)C1	ZINC000247527596	334284240	/nfs/dbraw/zinc/28/42/40/334284240.db2.gz	NYSQSYUVJKAKRS-SJLPKXTDSA-N	2	2	297.446	4.152	10	0		CIAELP
CC(C)C[NH2+]C[C@H](C(C)C)[N@H+](C)[C@@H](C)c1cccs1	ZINC000052506411	519745570	/nfs/dbraw/zinc/74/55/70/519745570.db2.gz	MDOGIIAWRXORIP-LSDHHAIUSA-N	2	2	282.497	4.011	10	0		CIAELP
CC(C)C[NH2+]C[C@H](C(C)C)[N@@H+](C)[C@@H](C)c1cccs1	ZINC000052506411	519745571	/nfs/dbraw/zinc/74/55/71/519745571.db2.gz	MDOGIIAWRXORIP-LSDHHAIUSA-N	2	2	282.497	4.011	10	0		CIAELP
CCC[NH+](CCC)[C@@H](C[NH3+])c1csc2ccccc21	ZINC000054463947	521650376	/nfs/dbraw/zinc/65/03/76/521650376.db2.gz	UUWOQINRAAJROO-HNNXBMFYSA-N	2	2	276.449	4.023	10	0		CIAELP