smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](C)[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000160454841	402346553	/nfs/dbraw/zinc/34/65/53/402346553.db2.gz	GSPUXTJQLNESNY-ZOBUZTSGSA-N	2	0	305.466	2.430	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159746868	279286586	/nfs/dbraw/zinc/28/65/86/279286586.db2.gz	ZZTUGEDKUHXUKT-IXDOHACOSA-N	2	0	324.513	2.090	20	70		DEIDRP
CCN(CC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1)C(=O)OC(C)(C)C	ZINC000159498924	402324494	/nfs/dbraw/zinc/32/44/94/402324494.db2.gz	MTUPDYBABQIZGJ-UONOGXRCSA-N	2	0	311.470	2.458	20	70		DEIDRP
CCO[C@H]1C[C@@H](O)C12CC[NH+](CCC[NH+]1CCCCC1)CC2	ZINC000161376126	402384910	/nfs/dbraw/zinc/38/49/10/402384910.db2.gz	DIDYGUQEJOVMKF-SJORKVTESA-N	2	0	310.482	2.114	20	70		DEIDRP
C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)NCc1ccccc1	ZINC000161216791	539590525	/nfs/dbraw/zinc/59/05/25/539590525.db2.gz	XSYGDWQEVQTQIG-HUUCEWRRSA-N	2	0	303.450	2.011	20	70		DEIDRP
C[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@H]([NH3+])c1ccccc1	ZINC000159787870	197364491	/nfs/dbraw/zinc/36/44/91/197364491.db2.gz	BVLIVLQJSOLORY-KDOFPFPSSA-N	2	0	315.461	2.313	20	70		DEIDRP
C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCC1CC1)c1ccccc1	ZINC000159426601	402323366	/nfs/dbraw/zinc/32/33/66/402323366.db2.gz	ALSVJHNEWYTJNP-QGZVFWFLSA-N	2	0	303.450	2.137	20	70		DEIDRP
C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)N1CCc2ccccc2C1	ZINC000159807831	402330893	/nfs/dbraw/zinc/33/08/93/402330893.db2.gz	JSRJNHYNNBIDJU-MDZRGWNJSA-N	2	0	301.478	2.363	20	70		DEIDRP
C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)NCc1ccccc1	ZINC000161216660	539590340	/nfs/dbraw/zinc/59/03/40/539590340.db2.gz	XSYGDWQEVQTQIG-LSDHHAIUSA-N	2	0	303.450	2.011	20	70		DEIDRP
COc1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CC2	ZINC000160187960	197391988	/nfs/dbraw/zinc/39/19/88/197391988.db2.gz	ITMRRDCEEUUQBL-LJQANCHMSA-N	2	0	317.477	2.298	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159626588	402326942	/nfs/dbraw/zinc/32/69/42/402326942.db2.gz	NHQQLOZUXCCABH-CALCHBBNSA-N	2	0	324.513	2.092	20	70		DEIDRP
C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C	ZINC000160194821	402337389	/nfs/dbraw/zinc/33/73/89/402337389.db2.gz	GNMVTEGLMSSITK-RYRKJORJSA-N	2	0	317.477	2.383	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000159518894	521608440	/nfs/dbraw/zinc/60/84/40/521608440.db2.gz	VSDJSXNWDKJXSR-QGZVFWFLSA-N	2	0	318.465	2.027	20	70		DEIDRP
C[C@H](C(=O)NC1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1	ZINC000161333578	539591071	/nfs/dbraw/zinc/59/10/71/539591071.db2.gz	GUKAYHVTBNENLX-OAHLLOKOSA-N	2	0	316.449	2.041	20	70		DEIDRP
CCCC(=O)NC[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000160827256	402361959	/nfs/dbraw/zinc/36/19/59/402361959.db2.gz	ZIGCGSZJCMSJAD-QGZVFWFLSA-N	2	0	309.498	2.491	20	70		DEIDRP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1	ZINC000160911746	402365248	/nfs/dbraw/zinc/36/52/48/402365248.db2.gz	SREFJOVVHIUZKT-IXDOHACOSA-N	2	0	324.513	2.279	20	70		DEIDRP
CC[C@](C)(O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000161449825	402388339	/nfs/dbraw/zinc/38/83/39/402388339.db2.gz	AOUHDEPWAWATNL-JZXOWHBKSA-N	2	0	312.498	2.359	20	70		DEIDRP
Cc1ccc(C(=O)CC[N@H+](C)CCCN2CC[NH+](C)CC2)cc1	ZINC000161195036	402377189	/nfs/dbraw/zinc/37/71/89/402377189.db2.gz	YQUWPCBDVGNHQZ-UHFFFAOYSA-N	2	0	317.477	2.137	20	70		DEIDRP
C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCO2	ZINC000160280667	525350185	/nfs/dbraw/zinc/35/01/85/525350185.db2.gz	NUTQMSJGUVXBGI-AWEZNQCLSA-N	2	0	319.449	2.092	20	70		DEIDRP
Cc1nc2c(s1)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCC2	ZINC000160251322	282042852	/nfs/dbraw/zinc/04/28/52/282042852.db2.gz	LLDVUOLXIUGONY-OAHLLOKOSA-N	2	0	322.522	2.445	20	70		DEIDRP
C[NH+](C)C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159671589	402328304	/nfs/dbraw/zinc/32/83/04/402328304.db2.gz	DOEXWYHLXCTIGG-INIZCTEOSA-N	2	0	309.498	2.155	20	70		DEIDRP
C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CC[NH+](C)CC1	ZINC000161188879	539590369	/nfs/dbraw/zinc/59/03/69/539590369.db2.gz	WSTPXWYEUWYLQN-OAHLLOKOSA-N	2	0	319.497	2.257	20	70		DEIDRP
CC[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1	ZINC000161087950	285584174	/nfs/dbraw/zinc/58/41/74/285584174.db2.gz	CZEIFJQYFIXDSQ-QGZVFWFLSA-N	2	0	309.498	2.345	20	70		DEIDRP
C[C@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C1	ZINC000160275671	402339828	/nfs/dbraw/zinc/33/98/28/402339828.db2.gz	XHJWZLJSJIXAQD-INIZCTEOSA-N	2	0	324.513	2.234	20	70		DEIDRP
CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1	ZINC000160911896	402365322	/nfs/dbraw/zinc/36/53/22/402365322.db2.gz	SREFJOVVHIUZKT-YESZJQIVSA-N	2	0	324.513	2.279	20	70		DEIDRP
C[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@@H]1C	ZINC000160194960	402337464	/nfs/dbraw/zinc/33/74/64/402337464.db2.gz	GNMVTEGLMSSITK-BQFCYCMXSA-N	2	0	317.477	2.383	20	70		DEIDRP
CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000160454592	197412006	/nfs/dbraw/zinc/41/20/06/197412006.db2.gz	GSPUXTJQLNESNY-UXLLHSPISA-N	2	0	305.466	2.430	20	70		DEIDRP
C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1	ZINC000161021842	402369519	/nfs/dbraw/zinc/36/95/19/402369519.db2.gz	CYCFWKFBELUSQA-UONOGXRCSA-N	2	0	307.404	2.476	20	70		DEIDRP
CCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1	ZINC000159808020	402331108	/nfs/dbraw/zinc/33/11/08/402331108.db2.gz	QHWHCOSUUMQSPS-KRWDZBQOSA-N	2	0	324.513	2.378	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1	ZINC000159518730	197359558	/nfs/dbraw/zinc/35/95/58/197359558.db2.gz	VSDJSXNWDKJXSR-KRWDZBQOSA-N	2	0	318.465	2.027	20	70		DEIDRP
CC[C@@](C)(O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000161449950	402388383	/nfs/dbraw/zinc/38/83/83/402388383.db2.gz	AOUHDEPWAWATNL-SOLBZPMBSA-N	2	0	312.498	2.359	20	70		DEIDRP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCOC1	ZINC000161160868	402376031	/nfs/dbraw/zinc/37/60/31/402376031.db2.gz	SURFSSBKOJOUTP-QAPCUYQASA-N	2	0	318.461	2.158	20	70		DEIDRP
CC(C)n1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cn1	ZINC000160269930	402339471	/nfs/dbraw/zinc/33/94/71/402339471.db2.gz	ROUJHBVXJLGICQ-HNNXBMFYSA-N	2	0	307.486	2.141	20	70		DEIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1N1CCOCC1	ZINC000161461795	402388356	/nfs/dbraw/zinc/38/83/56/402388356.db2.gz	MJYRRKQAOGLEDN-JFIYKMOQSA-N	2	0	317.477	2.342	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCCCCCCC[NH+](C)C)CC1	ZINC000159762867	402330300	/nfs/dbraw/zinc/33/03/00/402330300.db2.gz	RDURJTNJLFQKMS-UHFFFAOYSA-N	2	0	312.502	2.236	20	70		DEIDRP
C[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)N1CCc2ccccc2C1	ZINC000159807953	402330837	/nfs/dbraw/zinc/33/08/37/402330837.db2.gz	JSRJNHYNNBIDJU-FCEWJHQRSA-N	2	0	301.478	2.363	20	70		DEIDRP
C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccnc1Cl	ZINC000160197340	525349222	/nfs/dbraw/zinc/34/92/22/525349222.db2.gz	HVNCFKPTAGWVDX-ZDUSSCGKSA-N	2	0	310.873	2.412	20	70		DEIDRP
CCN(CC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1)C(=O)OC(C)(C)C	ZINC000159499203	402324655	/nfs/dbraw/zinc/32/46/55/402324655.db2.gz	MTUPDYBABQIZGJ-ZIAGYGMSSA-N	2	0	311.470	2.458	20	70		DEIDRP
C[C@@H]1C[N@@H+](CC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1	ZINC000160289490	402339905	/nfs/dbraw/zinc/33/99/05/402339905.db2.gz	XVQZIQJGHNQEGO-IYBDPMFKSA-N	2	0	310.482	2.234	20	70		DEIDRP
CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@H](C)C1	ZINC000161147646	402375193	/nfs/dbraw/zinc/37/51/93/402375193.db2.gz	YZFJSJNPOPKNDC-HZPDHXFCSA-N	2	0	319.497	2.257	20	70		DEIDRP
Cc1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2	ZINC000160308993	279143738	/nfs/dbraw/zinc/14/37/38/279143738.db2.gz	JTFAZKZPINTWFP-MRXNPFEDSA-N	2	0	317.481	2.288	20	70		DEIDRP
CCO[C@@H]1C[C@H](O)C12CC[NH+](CCC[NH+]1CCCCC1)CC2	ZINC000161375757	402385257	/nfs/dbraw/zinc/38/52/57/402385257.db2.gz	DIDYGUQEJOVMKF-DLBZAZTESA-N	2	0	310.482	2.114	20	70		DEIDRP
CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)CCOC)CC1	ZINC000160361585	402342904	/nfs/dbraw/zinc/34/29/04/402342904.db2.gz	OLWGPAQCIGAGKP-QGZVFWFLSA-N	2	0	319.493	2.339	20	70		DEIDRP
C[C@H]1C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@@H+]1C	ZINC000161134359	402374611	/nfs/dbraw/zinc/37/46/11/402374611.db2.gz	RBIKPGZQYBWKDB-GJZGRUSLSA-N	2	0	305.470	2.009	20	70		DEIDRP
C[NH+](C)C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1	ZINC000159671459	402328627	/nfs/dbraw/zinc/32/86/27/402328627.db2.gz	DOEXWYHLXCTIGG-MRXNPFEDSA-N	2	0	309.498	2.155	20	70		DEIDRP
CC[C@](C)(O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1	ZINC000161450089	276675791	/nfs/dbraw/zinc/67/57/91/276675791.db2.gz	AOUHDEPWAWATNL-NUJGCVRESA-N	2	0	312.498	2.359	20	70		DEIDRP
C[C@@H](C(=O)NC1CCCCC1)N1CCN(c2cc[nH+]cc2)CC1	ZINC000161333446	539591428	/nfs/dbraw/zinc/59/14/28/539591428.db2.gz	GUKAYHVTBNENLX-HNNXBMFYSA-N	2	0	316.449	2.041	20	70		DEIDRP
C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)cc1	ZINC000159375533	197348121	/nfs/dbraw/zinc/34/81/21/197348121.db2.gz	RPEMKYPMEOJEAN-UHFFFAOYSA-N	2	0	301.434	2.105	20	70		DEIDRP
CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1	ZINC000160913421	402365213	/nfs/dbraw/zinc/36/52/13/402365213.db2.gz	UILFQGDWCKARAP-INIZCTEOSA-N	2	0	322.497	2.175	20	70		DEIDRP
CC[N@@H+]1CC[C@H]([NH2+]CCCc2nnc3n2CCCCC3)[C@H](C)C1	ZINC000161147542	402375491	/nfs/dbraw/zinc/37/54/91/402375491.db2.gz	YZFJSJNPOPKNDC-CVEARBPZSA-N	2	0	319.497	2.257	20	70		DEIDRP
Cn1cc(CC[NH2+]C2CCN(CCc3ccccc3)CC2)cn1	ZINC000159760957	402330244	/nfs/dbraw/zinc/33/02/44/402330244.db2.gz	YCIVGCKPHGBTPY-UHFFFAOYSA-N	2	0	312.461	2.259	20	70		DEIDRP
CC[NH+](CC)[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1	ZINC000159896747	402332786	/nfs/dbraw/zinc/33/27/86/402332786.db2.gz	SUSCEFVAKACQID-FGTMMUONSA-N	2	0	315.461	2.422	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1	ZINC000159886793	276366839	/nfs/dbraw/zinc/36/68/39/276366839.db2.gz	ITMJXMZWJVZQLY-UHFFFAOYSA-N	2	0	324.513	2.380	20	70		DEIDRP
C[C@@H]1C[C@@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@@H+]1C	ZINC000161134233	402374768	/nfs/dbraw/zinc/37/47/68/402374768.db2.gz	RBIKPGZQYBWKDB-CABCVRRESA-N	2	0	305.470	2.009	20	70		DEIDRP
COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(C)C	ZINC000161212961	402377853	/nfs/dbraw/zinc/37/78/53/402377853.db2.gz	VYMKYAITLRZEPD-LJQANCHMSA-N	2	0	320.477	2.404	20	70		DEIDRP
CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C	ZINC000161269413	402380364	/nfs/dbraw/zinc/38/03/64/402380364.db2.gz	UQHGUXOIDGDLRG-OAHLLOKOSA-N	2	0	309.429	2.310	20	70		DEIDRP
CC(C)n1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cn1	ZINC000160747433	278128734	/nfs/dbraw/zinc/12/87/34/278128734.db2.gz	BUXJOOJGRANEMX-DOTOQJQBSA-N	2	0	308.470	2.352	20	70		DEIDRP
CCn1nccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1	ZINC000160031259	539584740	/nfs/dbraw/zinc/58/47/40/539584740.db2.gz	INNAGMBFLIWNGU-UHFFFAOYSA-N	2	0	302.422	2.133	20	70		DEIDRP
C[C@@H]([NH2+]C1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1	ZINC000161418059	402387148	/nfs/dbraw/zinc/38/71/48/402387148.db2.gz	XQPOSZYWAXDOPE-OAHLLOKOSA-N	3	0	305.466	2.372	20	70		DEIDRP
CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160850498	402363124	/nfs/dbraw/zinc/36/31/24/402363124.db2.gz	SWXDEDNTWVHOCT-INIZCTEOSA-N	2	0	324.513	2.233	20	70		DEIDRP
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000160942605	402366320	/nfs/dbraw/zinc/36/63/20/402366320.db2.gz	UJAGEGDKVPOHFU-SJORKVTESA-N	2	0	324.513	2.233	20	70		DEIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161153274	402375519	/nfs/dbraw/zinc/37/55/19/402375519.db2.gz	ZAYVJYICNQBGAG-BZUAXINKSA-N	2	0	319.497	2.255	20	70		DEIDRP
C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1(C)CC1	ZINC000161266572	402380405	/nfs/dbraw/zinc/38/04/05/402380405.db2.gz	MVDMEGYWERZQBR-CQSZACIVSA-N	2	0	303.450	2.256	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1	ZINC000159728132	285210736	/nfs/dbraw/zinc/21/07/36/285210736.db2.gz	QASGRPZYZRXJKW-WMZOPIPTSA-N	2	0	324.513	2.234	20	70		DEIDRP
CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CC[NH+]1CCCC1	ZINC000161001359	402368816	/nfs/dbraw/zinc/36/88/16/402368816.db2.gz	LAUCBUJKKUOCGW-QGZVFWFLSA-N	2	0	324.513	2.234	20	70		DEIDRP
CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1	ZINC000161275701	522880082	/nfs/dbraw/zinc/88/00/82/522880082.db2.gz	LNXAKSAJZKNSHK-QGZVFWFLSA-N	2	0	303.450	2.256	20	70		DEIDRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1	ZINC000161461670	402388082	/nfs/dbraw/zinc/38/80/82/402388082.db2.gz	MJYRRKQAOGLEDN-RYRKJORJSA-N	2	0	317.477	2.342	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC1	ZINC000159623317	402326935	/nfs/dbraw/zinc/32/69/35/402326935.db2.gz	NWXGXSGCUHRNCG-KRWDZBQOSA-N	2	0	324.513	2.234	20	70		DEIDRP
C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCO2	ZINC000160280803	525445176	/nfs/dbraw/zinc/44/51/76/525445176.db2.gz	NUTQMSJGUVXBGI-CQSZACIVSA-N	2	0	319.449	2.092	20	70		DEIDRP
C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccnc1Cl	ZINC000160197482	525445784	/nfs/dbraw/zinc/44/57/84/525445784.db2.gz	HVNCFKPTAGWVDX-CYBMUJFWSA-N	2	0	310.873	2.412	20	70		DEIDRP
C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1	ZINC000161320235	539591320	/nfs/dbraw/zinc/59/13/20/539591320.db2.gz	UHULVBAXCGAUHD-MRXNPFEDSA-N	2	0	324.428	2.255	20	70		DEIDRP
C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)NCc1ccccc1	ZINC000161216433	539590589	/nfs/dbraw/zinc/59/05/89/539590589.db2.gz	XSYGDWQEVQTQIG-GJZGRUSLSA-N	2	0	303.450	2.011	20	70		DEIDRP
C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1	ZINC000160104289	197386359	/nfs/dbraw/zinc/38/63/59/197386359.db2.gz	BKUYAMMOUOSLCK-HNNXBMFYSA-N	2	0	303.450	2.352	20	70		DEIDRP
C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1	ZINC000161022102	402370041	/nfs/dbraw/zinc/37/00/41/402370041.db2.gz	CYCFWKFBELUSQA-ZIAGYGMSSA-N	2	0	307.404	2.476	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1	ZINC000159509152	285209359	/nfs/dbraw/zinc/20/93/59/285209359.db2.gz	UILQEDMZCLMGNQ-UHFFFAOYSA-N	2	0	310.486	2.033	20	70		DEIDRP
CCO[C@H]1C[C@H](O)C12CC[NH+](CCC[NH+]1CCCCC1)CC2	ZINC000161375880	402385401	/nfs/dbraw/zinc/38/54/01/402385401.db2.gz	DIDYGUQEJOVMKF-IRXDYDNUSA-N	2	0	310.482	2.114	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@H]2CCCC[NH+]2CC(C)C)CC1	ZINC000160917607	402365507	/nfs/dbraw/zinc/36/55/07/402365507.db2.gz	PQQFGSMWCKPCBG-QGZVFWFLSA-N	2	0	324.513	2.234	20	70		DEIDRP
C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1	ZINC000161022234	402369952	/nfs/dbraw/zinc/36/99/52/402369952.db2.gz	CYCFWKFBELUSQA-KGLIPLIRSA-N	2	0	307.404	2.476	20	70		DEIDRP
CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](CC)CC1	ZINC000159836838	402331796	/nfs/dbraw/zinc/33/17/96/402331796.db2.gz	QBAXDUSEKOJVPL-KRWDZBQOSA-N	2	0	324.513	2.378	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1	ZINC000159871806	402332112	/nfs/dbraw/zinc/33/21/12/402332112.db2.gz	SBSSCAPAHZNOQK-OAHLLOKOSA-N	2	0	312.502	2.090	20	70		DEIDRP
CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C	ZINC000161273307	282070881	/nfs/dbraw/zinc/07/08/81/282070881.db2.gz	TZUJXQJPCGARAL-INIZCTEOSA-N	2	0	305.466	2.479	20	70		DEIDRP
COc1ccc2c(c1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CC2	ZINC000160188079	197392240	/nfs/dbraw/zinc/39/22/40/197392240.db2.gz	ITMRRDCEEUUQBL-IBGZPJMESA-N	2	0	317.477	2.298	20	70		DEIDRP
C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CCC1CC1)c1ccccc1	ZINC000159426493	402323170	/nfs/dbraw/zinc/32/31/70/402323170.db2.gz	ALSVJHNEWYTJNP-KRWDZBQOSA-N	2	0	303.450	2.137	20	70		DEIDRP
CC(C)(C)OC(=O)N[C@@H]1CCN(CCC[NH+]2CCCCC2)C1	ZINC000161351304	402383920	/nfs/dbraw/zinc/38/39/20/402383920.db2.gz	XHHYUOUQDRKXMD-OAHLLOKOSA-N	2	0	311.470	2.461	20	70		DEIDRP
CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000160454460	402346652	/nfs/dbraw/zinc/34/66/52/402346652.db2.gz	GSPUXTJQLNESNY-INMHGKMJSA-N	2	0	305.466	2.430	20	70		DEIDRP
C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH+]1CCCC1	ZINC000160607421	402353730	/nfs/dbraw/zinc/35/37/30/402353730.db2.gz	MPTCKSOMUIFTGR-OAHLLOKOSA-N	2	0	303.450	2.210	20	70		DEIDRP
CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160850423	402363013	/nfs/dbraw/zinc/36/30/13/402363013.db2.gz	SWXDEDNTWVHOCT-MRXNPFEDSA-N	2	0	324.513	2.233	20	70		DEIDRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1N1CCOCC1	ZINC000161461927	402388316	/nfs/dbraw/zinc/38/83/16/402388316.db2.gz	MJYRRKQAOGLEDN-SOLBZPMBSA-N	2	0	317.477	2.342	20	70		DEIDRP
C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(c2cc[nH+]cc2)CC1	ZINC000161320123	539591342	/nfs/dbraw/zinc/59/13/42/539591342.db2.gz	UHULVBAXCGAUHD-INIZCTEOSA-N	2	0	324.428	2.255	20	70		DEIDRP
CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1	ZINC000160913292	402365474	/nfs/dbraw/zinc/36/54/74/402365474.db2.gz	UILFQGDWCKARAP-MRXNPFEDSA-N	2	0	322.497	2.175	20	70		DEIDRP
CC(C)n1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cn1	ZINC000160747321	402358981	/nfs/dbraw/zinc/35/89/81/402358981.db2.gz	BUXJOOJGRANEMX-NVXWUHKLSA-N	2	0	308.470	2.352	20	70		DEIDRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161153394	402375438	/nfs/dbraw/zinc/37/54/38/402375438.db2.gz	ZAYVJYICNQBGAG-OWCLPIDISA-N	2	0	319.497	2.255	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)CC1	ZINC000160917473	285210761	/nfs/dbraw/zinc/21/07/61/285210761.db2.gz	PQQFGSMWCKPCBG-KRWDZBQOSA-N	2	0	324.513	2.234	20	70		DEIDRP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCOC1	ZINC000161160561	402375880	/nfs/dbraw/zinc/37/58/80/402375880.db2.gz	SURFSSBKOJOUTP-MAUKXSAKSA-N	2	0	318.461	2.158	20	70		DEIDRP
CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1	ZINC000159808161	402331202	/nfs/dbraw/zinc/33/12/02/402331202.db2.gz	QHWHCOSUUMQSPS-QGZVFWFLSA-N	2	0	324.513	2.378	20	70		DEIDRP
C[C@H]([NH2+]C1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1	ZINC000161417919	402387044	/nfs/dbraw/zinc/38/70/44/402387044.db2.gz	XQPOSZYWAXDOPE-HNNXBMFYSA-N	3	0	305.466	2.372	20	70		DEIDRP
C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cnnn2)cc1	ZINC000161119527	402373479	/nfs/dbraw/zinc/37/34/79/402373479.db2.gz	LQCMRRUTVZJWTA-UNEWFSDZSA-N	2	0	314.437	2.186	20	70		DEIDRP
CC(C)[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)[NH+](C)C	ZINC000159693910	519809434	/nfs/dbraw/zinc/80/94/34/519809434.db2.gz	MZGWHNMIMHRBFM-QGZVFWFLSA-N	2	0	305.466	2.211	20	70		DEIDRP
CC[C@@H](COC)[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000160329613	522595422	/nfs/dbraw/zinc/59/54/22/522595422.db2.gz	QUCZKKJQAYTBSG-IBGZPJMESA-N	2	0	319.493	2.339	20	70		DEIDRP
COc1ccccc1[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1	ZINC000160203413	524779802	/nfs/dbraw/zinc/77/98/02/524779802.db2.gz	SJWLMNIWCSNWPR-HNNXBMFYSA-N	2	0	305.466	2.372	20	70		DEIDRP
CCN(CC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1)C(=O)OC(C)(C)C	ZINC000159499335	402324875	/nfs/dbraw/zinc/32/48/75/402324875.db2.gz	MTUPDYBABQIZGJ-KGLIPLIRSA-N	2	0	311.470	2.458	20	70		DEIDRP
CCCC(=O)NC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1	ZINC000160827117	402361812	/nfs/dbraw/zinc/36/18/12/402361812.db2.gz	ZIGCGSZJCMSJAD-KRWDZBQOSA-N	2	0	309.498	2.491	20	70		DEIDRP
CCO[C@@H]1C[C@@H](O)C12CC[NH+](CCC[NH+]1CCCCC1)CC2	ZINC000161376022	402384965	/nfs/dbraw/zinc/38/49/65/402384965.db2.gz	DIDYGUQEJOVMKF-IAGOWNOFSA-N	2	0	310.482	2.114	20	70		DEIDRP
CCC(CC)(C[NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C	ZINC000161269280	402380211	/nfs/dbraw/zinc/38/02/11/402380211.db2.gz	UQHGUXOIDGDLRG-HNNXBMFYSA-N	2	0	309.429	2.310	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCC(C)CC2)CC1	ZINC000159638041	402327467	/nfs/dbraw/zinc/32/74/67/402327467.db2.gz	IWZFQGUREDSHLH-UHFFFAOYSA-N	2	0	324.513	2.236	20	70		DEIDRP
CCC(CC)(C[NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C	ZINC000161273422	282071564	/nfs/dbraw/zinc/07/15/64/282071564.db2.gz	TZUJXQJPCGARAL-MRXNPFEDSA-N	2	0	305.466	2.479	20	70		DEIDRP
CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@H]([NH+](C)C)C1	ZINC000160942740	402366662	/nfs/dbraw/zinc/36/66/62/402366662.db2.gz	UJAGEGDKVPOHFU-IRXDYDNUSA-N	2	0	324.513	2.233	20	70		DEIDRP
Cc1nc2c(s1)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CCC2	ZINC000160251437	282033907	/nfs/dbraw/zinc/03/39/07/282033907.db2.gz	LLDVUOLXIUGONY-HNNXBMFYSA-N	2	0	322.522	2.445	20	70		DEIDRP
CC[C@@H](COC)[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1	ZINC000160362121	402342811	/nfs/dbraw/zinc/34/28/11/402342811.db2.gz	ISIGEUCFPUKIKO-IBGZPJMESA-N	2	0	319.493	2.339	20	70		DEIDRP
C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCOC1	ZINC000161160772	402375960	/nfs/dbraw/zinc/37/59/60/402375960.db2.gz	SURFSSBKOJOUTP-YJBOKZPZSA-N	2	0	318.461	2.158	20	70		DEIDRP
CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1	ZINC000161275573	522651954	/nfs/dbraw/zinc/65/19/54/522651954.db2.gz	LNXAKSAJZKNSHK-KRWDZBQOSA-N	2	0	303.450	2.256	20	70		DEIDRP
C[NH+](C)CCN(C(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1	ZINC000159730863	186137794	/nfs/dbraw/zinc/13/77/94/186137794.db2.gz	UZMDDBFGDPYJLU-UHFFFAOYSA-N	2	0	322.497	2.129	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC1	ZINC000159623469	402326994	/nfs/dbraw/zinc/32/69/94/402326994.db2.gz	NWXGXSGCUHRNCG-QGZVFWFLSA-N	2	0	324.513	2.234	20	70		DEIDRP
C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3cc(F)ccc32)CC1	ZINC000160154313	276772999	/nfs/dbraw/zinc/77/29/99/276772999.db2.gz	AAWLPBPOWDRESS-SFHVURJKSA-N	2	0	305.441	2.429	20	70		DEIDRP
CC1CC[NH+](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)CC1	ZINC000160272257	197396946	/nfs/dbraw/zinc/39/69/46/197396946.db2.gz	IXGFVBOKUOIOKZ-UHFFFAOYSA-N	2	0	324.513	2.234	20	70		DEIDRP
C[C@H]([NH2+]C1CCN(C)CC1)c1cccc(OCC[NH+](C)C)c1	ZINC000161451701	402388301	/nfs/dbraw/zinc/38/83/01/402388301.db2.gz	LWSNPQAPWLDGFQ-HNNXBMFYSA-N	2	0	305.466	2.372	20	70		DEIDRP
C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCOC1	ZINC000161160643	402376182	/nfs/dbraw/zinc/37/61/82/402376182.db2.gz	SURFSSBKOJOUTP-CRAIPNDOSA-N	2	0	318.461	2.158	20	70		DEIDRP
CC(C)[N@H+]1C[C@H](NC(=O)c2cccc(-n3ccnc3)c2)[C@@H](C)C1	ZINC000161392814	402385883	/nfs/dbraw/zinc/38/58/83/402385883.db2.gz	DZXSNTNWTKDBQY-YOEHRIQHSA-N	2	0	312.417	2.331	20	70		DEIDRP
C[C@@H]1C[NH+](CC2CC[NH+](CCOCC3CC3)CC2)C[C@@H](C)O1	ZINC000160289732	524938781	/nfs/dbraw/zinc/93/87/81/524938781.db2.gz	XVQZIQJGHNQEGO-HZPDHXFCSA-N	2	0	310.482	2.234	20	70		DEIDRP
C[NH+](C)C1CCN(CC[NH2+]C2C3CC4CC(C3)CC2C4)CC1	ZINC000160149558	197389122	/nfs/dbraw/zinc/38/91/22/197389122.db2.gz	BHYNDXOTPRKGMV-UHFFFAOYSA-N	2	0	305.510	2.427	20	70		DEIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161153035	402375328	/nfs/dbraw/zinc/37/53/28/402375328.db2.gz	ZAYVJYICNQBGAG-OAGGEKHMSA-N	2	0	319.497	2.255	20	70		DEIDRP
CC[NH+]1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1	ZINC000159880183	402333004	/nfs/dbraw/zinc/33/30/04/402333004.db2.gz	XPEIZQGVEYPHJP-UHFFFAOYSA-N	2	0	324.513	2.234	20	70		DEIDRP
C[C@@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)C2CCCC2)C1	ZINC000160275523	402339746	/nfs/dbraw/zinc/33/97/46/402339746.db2.gz	XHJWZLJSJIXAQD-MRXNPFEDSA-N	2	0	324.513	2.234	20	70		DEIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1N1CCOCC1	ZINC000161461544	402388307	/nfs/dbraw/zinc/38/83/07/402388307.db2.gz	MJYRRKQAOGLEDN-NUJGCVRESA-N	2	0	317.477	2.342	20	70		DEIDRP
C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cnnn2)cc1	ZINC000161119408	402373490	/nfs/dbraw/zinc/37/34/90/402373490.db2.gz	LQCMRRUTVZJWTA-LXZKKBNFSA-N	2	0	314.437	2.186	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCCC[C@@H]2C)CC1	ZINC000159638801	402327679	/nfs/dbraw/zinc/32/76/79/402327679.db2.gz	GQECAVPJCQALON-KRWDZBQOSA-N	2	0	324.513	2.378	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)CC1	ZINC000159746719	402329403	/nfs/dbraw/zinc/32/94/03/402329403.db2.gz	ZZTUGEDKUHXUKT-BBWFWOEESA-N	2	0	324.513	2.090	20	70		DEIDRP
O=C(NCCC[NH2+]C1CCCCC1)N[C@@H]1CC[N@H+](CC2CC2)C1	ZINC000160613370	355965574	/nfs/dbraw/zinc/96/55/74/355965574.db2.gz	AYWNJSBLJUAVSG-QGZVFWFLSA-N	2	0	322.497	2.082	20	70		DEIDRP
CC[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1	ZINC000161088088	402371949	/nfs/dbraw/zinc/37/19/49/402371949.db2.gz	CZEIFJQYFIXDSQ-KRWDZBQOSA-N	2	0	309.498	2.345	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1	ZINC000159948308	279284785	/nfs/dbraw/zinc/28/47/85/279284785.db2.gz	IWZOUOYMBRRNFK-UHFFFAOYSA-N	2	0	322.497	2.131	20	70		DEIDRP
COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1	ZINC000160260425	197396147	/nfs/dbraw/zinc/39/61/47/197396147.db2.gz	RIWIQNFHDGISIW-OAHLLOKOSA-N	2	0	305.466	2.372	20	70		DEIDRP
C[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@H]([NH3+])c1ccccc1	ZINC000159787732	197364483	/nfs/dbraw/zinc/36/44/83/197364483.db2.gz	BVLIVLQJSOLORY-KSSFIOAISA-N	2	0	315.461	2.313	20	70		DEIDRP
CC(C)(C)OC(=O)N[C@H]1CCN(CCC[NH+]2CCCCC2)C1	ZINC000161351413	402384032	/nfs/dbraw/zinc/38/40/32/402384032.db2.gz	XHHYUOUQDRKXMD-HNNXBMFYSA-N	2	0	311.470	2.461	20	70		DEIDRP
CC[C@@H](C)[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C	ZINC000160454715	402346258	/nfs/dbraw/zinc/34/62/58/402346258.db2.gz	GSPUXTJQLNESNY-VYDXJSESSA-N	2	0	305.466	2.430	20	70		DEIDRP
CC[NH+](CC)[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1	ZINC000159896632	402332741	/nfs/dbraw/zinc/33/27/41/402332741.db2.gz	SUSCEFVAKACQID-KSZLIROESA-N	2	0	315.461	2.422	20	70		DEIDRP
Fc1ccc(OCCN2CCN(c3cc[nH+]cc3)CC2)cc1	ZINC000161324116	539591168	/nfs/dbraw/zinc/59/11/68/539591168.db2.gz	VADMCTOZXPAFLZ-UHFFFAOYSA-N	2	0	301.365	2.422	20	70		DEIDRP
C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1	ZINC000160104429	197386398	/nfs/dbraw/zinc/38/63/98/197386398.db2.gz	BKUYAMMOUOSLCK-OAHLLOKOSA-N	2	0	303.450	2.352	20	70		DEIDRP
CN(CC[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1	ZINC000161347626	402383965	/nfs/dbraw/zinc/38/39/65/402383965.db2.gz	YVEUKMKRPXFRBF-UHFFFAOYSA-N	2	0	304.434	2.394	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1	ZINC000159626751	279285431	/nfs/dbraw/zinc/28/54/31/279285431.db2.gz	NHQQLOZUXCCABH-IRXDYDNUSA-N	2	0	324.513	2.092	20	70		DEIDRP
C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH+]1CCCC1	ZINC000160607298	402354046	/nfs/dbraw/zinc/35/40/46/402354046.db2.gz	MPTCKSOMUIFTGR-HNNXBMFYSA-N	2	0	303.450	2.210	20	70		DEIDRP
C[C@@H]1C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@@H+]1C	ZINC000161134001	402374698	/nfs/dbraw/zinc/37/46/98/402374698.db2.gz	RBIKPGZQYBWKDB-HUUCEWRRSA-N	2	0	305.470	2.009	20	70		DEIDRP
CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cccc(-n3ccnc3)c2)C1	ZINC000161392666	402385863	/nfs/dbraw/zinc/38/58/63/402385863.db2.gz	DZXSNTNWTKDBQY-PBHICJAKSA-N	2	0	312.417	2.331	20	70		DEIDRP
C(C[NH+]1CCCCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1	ZINC000161388043	402385976	/nfs/dbraw/zinc/38/59/76/402385976.db2.gz	FTXITSDGIJDXMS-UHFFFAOYSA-N	3	0	323.525	2.439	20	70		DEIDRP
CCC[N@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1	ZINC000161235511	539590099	/nfs/dbraw/zinc/59/00/99/539590099.db2.gz	LODPOCNCEDZFGF-UHFFFAOYSA-N	2	0	306.450	2.366	20	70		DEIDRP
C[C@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)C1CCCC1	ZINC000160304301	197399443	/nfs/dbraw/zinc/39/94/43/197399443.db2.gz	NAKHFUKZOHSCPW-MRXNPFEDSA-N	2	0	324.513	2.377	20	70		DEIDRP
CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](CC)CC1	ZINC000159836717	402331420	/nfs/dbraw/zinc/33/14/20/402331420.db2.gz	QBAXDUSEKOJVPL-QGZVFWFLSA-N	2	0	324.513	2.378	20	70		DEIDRP
O=C(NCCC[NH2+]C1CCCCC1)N[C@H]1CC[N@H+](CC2CC2)C1	ZINC000160613504	355965315	/nfs/dbraw/zinc/96/53/15/355965315.db2.gz	AYWNJSBLJUAVSG-KRWDZBQOSA-N	2	0	322.497	2.082	20	70		DEIDRP
C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cnnn2)cc1	ZINC000161119654	197466710	/nfs/dbraw/zinc/46/67/10/197466710.db2.gz	LQCMRRUTVZJWTA-QRTARXTBSA-N	2	0	314.437	2.186	20	70		DEIDRP
CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)CCOC)CC1	ZINC000160361471	402342761	/nfs/dbraw/zinc/34/27/61/402342761.db2.gz	OLWGPAQCIGAGKP-KRWDZBQOSA-N	2	0	319.493	2.339	20	70		DEIDRP
CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N(C)CC[NH+]1CCCC1	ZINC000161001488	402368868	/nfs/dbraw/zinc/36/88/68/402368868.db2.gz	LAUCBUJKKUOCGW-KRWDZBQOSA-N	2	0	324.513	2.234	20	70		DEIDRP
CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1	ZINC000159441486	277566152	/nfs/dbraw/zinc/56/61/52/277566152.db2.gz	PYBXQFHZXMDBSO-UHFFFAOYSA-N	2	0	324.513	2.375	20	70		DEIDRP
C[C@@H]([NH2+]C1CCN(C)CC1)c1cccc(OCC[NH+](C)C)c1	ZINC000161451818	525402113	/nfs/dbraw/zinc/40/21/13/525402113.db2.gz	LWSNPQAPWLDGFQ-OAHLLOKOSA-N	2	0	305.466	2.372	20	70		DEIDRP
C[C@H]1C[NH+](CC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1	ZINC000160289604	402340132	/nfs/dbraw/zinc/34/01/32/402340132.db2.gz	XVQZIQJGHNQEGO-HOTGVXAUSA-N	2	0	310.482	2.234	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCC[C@H](C)C2)CC1	ZINC000159638978	402327424	/nfs/dbraw/zinc/32/74/24/402327424.db2.gz	QGRUWWGPQRGYSR-KRWDZBQOSA-N	2	0	324.513	2.236	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)CC1	ZINC000159738223	279284567	/nfs/dbraw/zinc/28/45/67/279284567.db2.gz	GYKFIPRLZKKIAZ-INIZCTEOSA-N	2	0	324.513	2.234	20	70		DEIDRP
C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C(C2CC2)C2CC2)c1	ZINC000161223255	521785903	/nfs/dbraw/zinc/78/59/03/521785903.db2.gz	ZSINZOOZRCLXAC-UHFFFAOYSA-N	2	0	315.461	2.256	20	70		DEIDRP
CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)CCOC)cc2)CC1	ZINC000160329039	402341053	/nfs/dbraw/zinc/34/10/53/402341053.db2.gz	GOUBUDGUNMIEFN-QGZVFWFLSA-N	2	0	319.493	2.339	20	70		DEIDRP
C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(CC(F)(F)F)CC2)C1	ZINC000161021990	402369710	/nfs/dbraw/zinc/36/97/10/402369710.db2.gz	CYCFWKFBELUSQA-KBPBESRZSA-N	2	0	307.404	2.476	20	70		DEIDRP
CC(C)n1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cn1	ZINC000160269817	519971862	/nfs/dbraw/zinc/97/18/62/519971862.db2.gz	ROUJHBVXJLGICQ-OAHLLOKOSA-N	2	0	307.486	2.141	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1	ZINC000159937563	521608815	/nfs/dbraw/zinc/60/88/15/521608815.db2.gz	JHYVGFOLNLYQKL-UHFFFAOYSA-N	2	0	312.502	2.233	20	70		DEIDRP
COc1ccccc1[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1	ZINC000160203554	524723390	/nfs/dbraw/zinc/72/33/90/524723390.db2.gz	SJWLMNIWCSNWPR-OAHLLOKOSA-N	2	0	305.466	2.372	20	70		DEIDRP
C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)C1CC[NH+](C)CC1	ZINC000161188748	539589945	/nfs/dbraw/zinc/58/99/45/539589945.db2.gz	WSTPXWYEUWYLQN-HNNXBMFYSA-N	2	0	319.497	2.257	20	70		DEIDRP
C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)C1CCCC1	ZINC000160304190	197399097	/nfs/dbraw/zinc/39/90/97/197399097.db2.gz	NAKHFUKZOHSCPW-INIZCTEOSA-N	2	0	324.513	2.377	20	70		DEIDRP
C[C@@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@@H]([NH3+])c1ccccc1	ZINC000159788160	197364769	/nfs/dbraw/zinc/36/47/69/197364769.db2.gz	BVLIVLQJSOLORY-RDTXWAMCSA-N	2	0	315.461	2.313	20	70		DEIDRP
C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cnnn2)cc1	ZINC000161119772	402373456	/nfs/dbraw/zinc/37/34/56/402373456.db2.gz	LQCMRRUTVZJWTA-KMFMINBZSA-N	2	0	314.437	2.186	20	70		DEIDRP
CCC(CC)(C[NH3+])C(=O)N1CC[NH+](C2CCC(C)CC2)CC1	ZINC000161295018	402381576	/nfs/dbraw/zinc/38/15/76/402381576.db2.gz	HUVBTVBAKQHTMV-UHFFFAOYSA-N	2	0	309.498	2.474	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NCCC[NH+](C)C2CCCCC2)CC1	ZINC000159625976	276366656	/nfs/dbraw/zinc/36/66/56/276366656.db2.gz	WYKWWPGJJHXUIO-UHFFFAOYSA-N	2	0	324.513	2.378	20	70		DEIDRP
CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)CCOC)cc2)CC1	ZINC000160328920	402340942	/nfs/dbraw/zinc/34/09/42/402340942.db2.gz	GOUBUDGUNMIEFN-KRWDZBQOSA-N	2	0	319.493	2.339	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1	ZINC000159728270	279285445	/nfs/dbraw/zinc/28/54/45/279285445.db2.gz	QASGRPZYZRXJKW-FUHWJXTLSA-N	2	0	324.513	2.234	20	70		DEIDRP
C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)C1CC[NH+](C)CC1	ZINC000161216541	539589885	/nfs/dbraw/zinc/58/98/85/539589885.db2.gz	XSYGDWQEVQTQIG-CABCVRRESA-N	2	0	303.450	2.011	20	70		DEIDRP
COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(C)C	ZINC000161213051	402377845	/nfs/dbraw/zinc/37/78/45/402377845.db2.gz	VYMKYAITLRZEPD-IBGZPJMESA-N	2	0	320.477	2.404	20	70		DEIDRP
C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1(C)CC1	ZINC000161266445	402379545	/nfs/dbraw/zinc/37/95/45/402379545.db2.gz	MVDMEGYWERZQBR-AWEZNQCLSA-N	2	0	303.450	2.256	20	70		DEIDRP
C[C@H]1C[C@H]([NH2+]CCCc2nnc3n2CCCCC3)CC[N@@H+]1C	ZINC000161134136	402374638	/nfs/dbraw/zinc/37/46/38/402374638.db2.gz	RBIKPGZQYBWKDB-LSDHHAIUSA-N	2	0	305.470	2.009	20	70		DEIDRP
C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1	ZINC000160154176	197389404	/nfs/dbraw/zinc/38/94/04/197389404.db2.gz	AAWLPBPOWDRESS-GOSISDBHSA-N	2	0	305.441	2.429	20	70		DEIDRP
CC[C@H](COC)[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1	ZINC000160362254	402342778	/nfs/dbraw/zinc/34/27/78/402342778.db2.gz	ISIGEUCFPUKIKO-LJQANCHMSA-N	2	0	319.493	2.339	20	70		DEIDRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nnc2n1CCCCC2	ZINC000161153159	288102023	/nfs/dbraw/zinc/10/20/23/288102023.db2.gz	ZAYVJYICNQBGAG-PMPSAXMXSA-N	2	0	319.497	2.255	20	70		DEIDRP
Cc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2	ZINC000160309096	282116562	/nfs/dbraw/zinc/11/65/62/282116562.db2.gz	JTFAZKZPINTWFP-INIZCTEOSA-N	2	0	317.481	2.288	20	70		DEIDRP
CC[NH+](CC)CCNC(=O)N1CCC(CCC[NH+](C)C)CC1	ZINC000159645635	186133103	/nfs/dbraw/zinc/13/31/03/186133103.db2.gz	XKODBRUDEGIFFP-UHFFFAOYSA-N	2	0	312.502	2.092	20	70		DEIDRP
COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1	ZINC000160260293	197395827	/nfs/dbraw/zinc/39/58/27/197395827.db2.gz	RIWIQNFHDGISIW-HNNXBMFYSA-N	2	0	305.466	2.372	20	70		DEIDRP
C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cc1	ZINC000159826195	197367498	/nfs/dbraw/zinc/36/74/98/197367498.db2.gz	QLERZKMMKXTFRM-UHFFFAOYSA-N	2	0	315.461	2.449	20	70		DEIDRP
CCN(CC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1)C(=O)OC(C)(C)C	ZINC000159499068	402324636	/nfs/dbraw/zinc/32/46/36/402324636.db2.gz	MTUPDYBABQIZGJ-KBPBESRZSA-N	2	0	311.470	2.458	20	70		DEIDRP
CC[N@@H+]1CCCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1	ZINC000159871651	402332170	/nfs/dbraw/zinc/33/21/70/402332170.db2.gz	SBSSCAPAHZNOQK-HNNXBMFYSA-N	2	0	312.502	2.090	20	70		DEIDRP
CC[C@H](COC)[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1	ZINC000160329754	522260827	/nfs/dbraw/zinc/26/08/27/522260827.db2.gz	QUCZKKJQAYTBSG-LJQANCHMSA-N	2	0	319.493	2.339	20	70		DEIDRP
C[C@H](C(=O)N1CCC([NH2+]CC2CC2)CC1)[C@@H]([NH3+])c1ccccc1	ZINC000159788009	197364064	/nfs/dbraw/zinc/36/40/64/197364064.db2.gz	BVLIVLQJSOLORY-KBXCAEBGSA-N	2	0	315.461	2.313	20	70		DEIDRP
CCC[NH+](CCC)CCCNC(=O)N1CCC[N@H+](CC)CC1	ZINC000159814454	402331452	/nfs/dbraw/zinc/33/14/52/402331452.db2.gz	ZVCOGHSHATVLGU-UHFFFAOYSA-N	2	0	312.502	2.236	20	70		DEIDRP