smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2nc[nH]c21	ZINC000159518222	206250593	/nfs/dbraw/zinc/25/05/93/206250593.db2.gz	XCIHAFLHJQSWCC-UHFFFAOYSA-N	2	0	331.464	1.909	20	70		EDIDRP
O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160780924	441920607	/nfs/dbraw/zinc/92/06/07/441920607.db2.gz	RIMDCAKFAZUIQZ-RDJZCZTQSA-N	2	0	338.496	1.149	20	70		EDIDRP
C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCOCC1	ZINC000161287962	441980377	/nfs/dbraw/zinc/98/03/77/441980377.db2.gz	FJBJFJATAWYOIR-OAHLLOKOSA-N	2	0	333.476	1.883	20	70		EDIDRP
O=C(C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1)NC1CC[NH+](C2CC2)CC1	ZINC000160527069	441893040	/nfs/dbraw/zinc/89/30/40/441893040.db2.gz	CMVMPRSXYIAHCQ-HNAYVOBHSA-N	2	0	335.492	1.356	20	70		EDIDRP
COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160896364	441933367	/nfs/dbraw/zinc/93/33/67/441933367.db2.gz	RLPBVSWGOMSTDI-HNNXBMFYSA-N	2	0	326.485	1.223	20	70		EDIDRP
CC[N@@H+]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1	ZINC000159779591	206262852	/nfs/dbraw/zinc/26/28/52/206262852.db2.gz	WIKODOOXMAWWHQ-UHFFFAOYSA-N	2	0	348.491	1.864	20	70		EDIDRP
C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C	ZINC000159972049	206272929	/nfs/dbraw/zinc/27/29/29/206272929.db2.gz	PGUPJLIPTGEWFL-IEZWGBDMSA-N	2	0	348.491	1.119	20	70		EDIDRP
[NH3+]CCCNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000160126020	206280259	/nfs/dbraw/zinc/28/02/59/206280259.db2.gz	ROLSNYGPCYAKLA-OAHLLOKOSA-N	2	0	329.366	1.906	20	70		EDIDRP
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000160089071	206279530	/nfs/dbraw/zinc/27/95/30/206279530.db2.gz	IEDHEHCYHAZBGZ-OALUTQOASA-N	2	0	345.487	1.614	20	70		EDIDRP
CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cnn(C)c1	ZINC000161201380	206334114	/nfs/dbraw/zinc/33/41/14/206334114.db2.gz	BJHYRIZCENHVKV-GOSISDBHSA-N	2	0	343.475	1.952	20	70		EDIDRP
C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1	ZINC000160759460	486638218	/nfs/dbraw/zinc/63/82/18/486638218.db2.gz	UTKSSTCKUJVJMC-MSOLQXFVSA-N	2	0	330.476	1.434	20	70		EDIDRP
CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@H](C)C1	ZINC000160402870	276315314	/nfs/dbraw/zinc/31/53/14/276315314.db2.gz	YKMSMJKPXXNNSV-DJIMGWMZSA-N	2	0	335.496	1.628	20	70		EDIDRP
C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC1CCOCC1)c1ccccc1	ZINC000160212056	441866457	/nfs/dbraw/zinc/86/64/57/441866457.db2.gz	VHVVAFYLOMRVPO-GOSISDBHSA-N	2	0	333.476	1.764	20	70		EDIDRP
C[N@H+](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCSC1	ZINC000160399440	441878011	/nfs/dbraw/zinc/87/80/11/441878011.db2.gz	XYMWAHKPXDFTPU-HUUCEWRRSA-N	2	0	337.489	1.970	20	70		EDIDRP
C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1	ZINC000161331725	441987624	/nfs/dbraw/zinc/98/76/24/441987624.db2.gz	KWRKLMVUOPKZAL-QAPCUYQASA-N	2	0	345.491	1.953	20	70		EDIDRP
C[N@H+](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@@H]1CCSC1	ZINC000160399319	441877884	/nfs/dbraw/zinc/87/78/84/441877884.db2.gz	XYMWAHKPXDFTPU-CABCVRRESA-N	2	0	337.489	1.970	20	70		EDIDRP
C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1	ZINC000160522791	441893023	/nfs/dbraw/zinc/89/30/23/441893023.db2.gz	XLDVPYDAGUQQCG-LBPRGKRZSA-N	2	0	347.381	1.956	20	70		EDIDRP
Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)c1	ZINC000161422000	486644276	/nfs/dbraw/zinc/64/42/76/486644276.db2.gz	WBOVAZNLGSHURX-ZWKOTPCHSA-N	2	0	344.503	1.893	20	70		EDIDRP
C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1CO	ZINC000159442839	287345982	/nfs/dbraw/zinc/34/59/82/287345982.db2.gz	PHIBYXUDTILWTK-BPQIPLTHSA-N	2	0	333.476	1.498	20	70		EDIDRP
C[NH+](C)C[C@@](C)(O)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1	ZINC000159473801	441814798	/nfs/dbraw/zinc/81/47/98/441814798.db2.gz	ZVHNEIFZJGAENY-FQEVSTJZSA-N	2	0	347.503	1.718	20	70		EDIDRP
C[NH+](C)CCn1ccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)n1	ZINC000160553413	441896004	/nfs/dbraw/zinc/89/60/04/441896004.db2.gz	VOGOEHBRRAUHFS-UHFFFAOYSA-N	2	0	336.484	1.687	20	70		EDIDRP
O=C(c1ccco1)N1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1	ZINC000160764382	441917776	/nfs/dbraw/zinc/91/77/76/441917776.db2.gz	YNESLUOQGIMTDQ-KRWDZBQOSA-N	2	0	349.475	1.711	20	70		EDIDRP
C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(OCC[NH+](C)C)c1	ZINC000160547645	441895525	/nfs/dbraw/zinc/89/55/25/441895525.db2.gz	FVKLUJLXSWCIDL-GFCCVEGCSA-N	2	0	347.381	1.956	20	70		EDIDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	ZINC000160393951	302922239	/nfs/dbraw/zinc/92/22/39/302922239.db2.gz	PFZJRMXCYYIUDA-HZPDHXFCSA-N	2	0	326.485	1.079	20	70		EDIDRP
C[NH+](C)CCN(C(=O)NCCCC[NH+]1CCOCC1)C1CCCC1	ZINC000160389976	441876417	/nfs/dbraw/zinc/87/64/17/441876417.db2.gz	UNRLKWJUBFAEQC-UHFFFAOYSA-N	2	0	340.512	1.615	20	70		EDIDRP
CCN1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1	ZINC000160011739	441853717	/nfs/dbraw/zinc/85/37/17/441853717.db2.gz	LZLYBDYCLGYMLG-FUHWJXTLSA-N	2	0	330.476	1.854	20	70		EDIDRP
C[NH+]1CCC(C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1	ZINC000160782576	441920796	/nfs/dbraw/zinc/92/07/96/441920796.db2.gz	IFRNILIMPPWOFL-ROUUACIJSA-N	2	0	331.460	1.080	20	70		EDIDRP
COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160896219	441933892	/nfs/dbraw/zinc/93/38/92/441933892.db2.gz	RLPBVSWGOMSTDI-OAHLLOKOSA-N	2	0	326.485	1.223	20	70		EDIDRP
CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCOC1	ZINC000161265146	441978499	/nfs/dbraw/zinc/97/84/99/441978499.db2.gz	KMYKOGSOTBFVTQ-ZWKOTPCHSA-N	2	0	333.476	1.883	20	70		EDIDRP
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1	ZINC000161496070	540034969	/nfs/dbraw/zinc/03/49/69/540034969.db2.gz	IIHYBLXYKYKCSU-UONOGXRCSA-N	2	0	339.505	1.976	20	70		EDIDRP
[NH3+][C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000161211309	486643489	/nfs/dbraw/zinc/64/34/89/486643489.db2.gz	WWOBVMUCYDLJTN-MSOLQXFVSA-N	2	0	344.503	1.975	20	70		EDIDRP
Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)c1	ZINC000161422123	486644399	/nfs/dbraw/zinc/64/43/99/486644399.db2.gz	WBOVAZNLGSHURX-ROUUACIJSA-N	2	0	344.503	1.893	20	70		EDIDRP
CCc1ncc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)cn1	ZINC000161167879	441966436	/nfs/dbraw/zinc/96/64/36/441966436.db2.gz	XWVKJCQQYSMYSI-MRXNPFEDSA-N	2	0	348.495	1.919	20	70		EDIDRP
CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC000159503059	441818705	/nfs/dbraw/zinc/81/87/05/441818705.db2.gz	KLMJREFGLBRLRC-SJORKVTESA-N	2	0	325.497	1.726	20	70		EDIDRP
CCC[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[NH+](C)C	ZINC000159465764	276281881	/nfs/dbraw/zinc/28/18/81/276281881.db2.gz	PTKFUBGKKCGHKS-BBWFWOEESA-N	2	0	325.497	1.601	20	70		EDIDRP
O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160780512	441920844	/nfs/dbraw/zinc/92/08/44/441920844.db2.gz	RIMDCAKFAZUIQZ-NVXWUHKLSA-N	2	0	338.496	1.149	20	70		EDIDRP
CC[N@@H+]1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1	ZINC000159601668	529029533	/nfs/dbraw/zinc/02/95/33/529029533.db2.gz	ZMXHFVBKQRBPAL-UHFFFAOYSA-N	2	0	348.491	1.864	20	70		EDIDRP
C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCOCC1	ZINC000160465599	272929734	/nfs/dbraw/zinc/92/97/34/272929734.db2.gz	JVGMNYKFTIPAOJ-YJBOKZPZSA-N	2	0	333.476	1.810	20	70		EDIDRP
O=C(N1CC[NH2+]CC1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000159420302	225213011	/nfs/dbraw/zinc/21/30/11/225213011.db2.gz	VAEFAHXQYDQBOC-INIZCTEOSA-N	2	0	341.377	1.873	20	70		EDIDRP
C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OCC[NH+](C)C)cc1	ZINC000160522921	441892585	/nfs/dbraw/zinc/89/25/85/441892585.db2.gz	XLDVPYDAGUQQCG-GFCCVEGCSA-N	2	0	347.381	1.956	20	70		EDIDRP
CC[N@@H+]1CCCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1	ZINC000159534491	267495156	/nfs/dbraw/zinc/49/51/56/267495156.db2.gz	CMQYQILDGDLIKB-SFHVURJKSA-N	2	0	332.492	1.897	20	70		EDIDRP
C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCOCC1	ZINC000160465720	272929738	/nfs/dbraw/zinc/92/97/38/272929738.db2.gz	JVGMNYKFTIPAOJ-QAPCUYQASA-N	2	0	333.476	1.810	20	70		EDIDRP
C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2cnnn2)cc1	ZINC000160745718	441915731	/nfs/dbraw/zinc/91/57/31/441915731.db2.gz	LJFJZCGWQUREDN-MAUKXSAKSA-N	2	0	344.463	1.550	20	70		EDIDRP
C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCOCC1	ZINC000160465849	272929732	/nfs/dbraw/zinc/92/97/32/272929732.db2.gz	JVGMNYKFTIPAOJ-MAUKXSAKSA-N	2	0	333.476	1.810	20	70		EDIDRP
C[NH+](C)CCN(Cc1ccccn1)C(=O)C[N@H+](C)[C@H]1CCSC1	ZINC000159643840	441826628	/nfs/dbraw/zinc/82/66/28/441826628.db2.gz	CHVMPOKAJSGGID-INIZCTEOSA-N	2	0	336.505	1.409	20	70		EDIDRP
CC[N@H+](C)[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1	ZINC000160510958	441891570	/nfs/dbraw/zinc/89/15/70/441891570.db2.gz	YNZNPVXSRLJEPA-ZWKOTPCHSA-N	2	0	333.476	1.642	20	70		EDIDRP
C[C@H]1C[C@@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)CC[N@@H+]1C	ZINC000161202694	441970718	/nfs/dbraw/zinc/97/07/18/441970718.db2.gz	BKNRDHASFACYEY-YJBOKZPZSA-N	2	0	332.492	1.550	20	70		EDIDRP
C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)c(F)c1	ZINC000161494540	486644750	/nfs/dbraw/zinc/64/47/50/486644750.db2.gz	XATBDOBODSTSMP-UHFFFAOYSA-N	2	0	330.245	1.925	20	70		EDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cnn(C)c3)cn2)CC1	ZINC000159502537	441818194	/nfs/dbraw/zinc/81/81/94/441818194.db2.gz	GMGMVNBARIKWML-HNNXBMFYSA-N	2	0	328.464	1.808	20	70		EDIDRP
OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCN(C3CC3)C2)CC1	ZINC000161210959	441972331	/nfs/dbraw/zinc/97/23/31/441972331.db2.gz	XNQGAHZINPLYNC-SFHVURJKSA-N	2	0	329.488	1.970	20	70		EDIDRP
Cc1nccn1CCCC[N@@H+]1CCCC[C@H]1CCNS(C)(=O)=O	ZINC000161434515	441999879	/nfs/dbraw/zinc/99/98/79/441999879.db2.gz	WKVYUPKVRUOKGG-INIZCTEOSA-N	2	0	342.509	1.766	20	70		EDIDRP
C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1	ZINC000159430812	441813822	/nfs/dbraw/zinc/81/38/22/441813822.db2.gz	JIXVFRFPSMVJRA-JQHSSLGASA-N	2	0	333.476	1.498	20	70		EDIDRP
O=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160780795	441920623	/nfs/dbraw/zinc/92/06/23/441920623.db2.gz	RIMDCAKFAZUIQZ-DOTOQJQBSA-N	2	0	338.496	1.149	20	70		EDIDRP
O=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1	ZINC000160780642	441920665	/nfs/dbraw/zinc/92/06/65/441920665.db2.gz	RIMDCAKFAZUIQZ-WBVHZDCISA-N	2	0	338.496	1.149	20	70		EDIDRP
C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CCCn1ccnc1)c1ccccc1	ZINC000160152993	225350255	/nfs/dbraw/zinc/35/02/55/225350255.db2.gz	FODIMNJKDVDCGV-GOSISDBHSA-N	2	0	343.475	1.624	20	70		EDIDRP
CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCOC1	ZINC000161265022	441978087	/nfs/dbraw/zinc/97/80/87/441978087.db2.gz	KMYKOGSOTBFVTQ-ROUUACIJSA-N	2	0	333.476	1.883	20	70		EDIDRP
C[NH+](C)Cc1cc(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)ccc1F	ZINC000159634953	441826653	/nfs/dbraw/zinc/82/66/53/441826653.db2.gz	ZGEFDHGKVCPFFV-OAHLLOKOSA-N	2	0	339.480	1.941	20	70		EDIDRP
C[NH+](C)CCOc1ccccc1C(=O)NC[C@H](O)C[NH+]1CCCCC1	ZINC000160485283	441888590	/nfs/dbraw/zinc/88/85/90/441888590.db2.gz	RZIUCNDULRVTAT-INIZCTEOSA-N	2	0	349.475	1.204	20	70		EDIDRP
C[N@H+](CC(=O)NCc1cccc(Cn2ccnc2)c1)[C@H]1CCSC1	ZINC000159824549	441839736	/nfs/dbraw/zinc/83/97/36/441839736.db2.gz	PCBISDPLWKKMTI-KRWDZBQOSA-N	2	0	344.484	1.985	20	70		EDIDRP
CC[N@H+](C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1	ZINC000160510800	441891098	/nfs/dbraw/zinc/89/10/98/441891098.db2.gz	YNZNPVXSRLJEPA-ROUUACIJSA-N	2	0	333.476	1.642	20	70		EDIDRP
CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)c1	ZINC000161496316	540034963	/nfs/dbraw/zinc/03/49/63/540034963.db2.gz	IIHYBLXYKYKCSU-ZIAGYGMSSA-N	2	0	339.505	1.976	20	70		EDIDRP
C[N@H+](CCO)C1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1	ZINC000161247202	441977487	/nfs/dbraw/zinc/97/74/87/441977487.db2.gz	OKPJLUCKXHWOQW-UHFFFAOYSA-N	2	0	340.512	1.349	20	70		EDIDRP
O=C(C[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1)N1CCCC1	ZINC000161267548	441980004	/nfs/dbraw/zinc/98/00/04/441980004.db2.gz	JCFKELZUPYGSLM-UHFFFAOYSA-N	2	0	336.524	1.493	20	70		EDIDRP
C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(-n2cnnn2)c1	ZINC000160663178	540024516	/nfs/dbraw/zinc/02/45/16/540024516.db2.gz	OIPSSRWZUKJTER-MAUKXSAKSA-N	2	0	344.463	1.550	20	70		EDIDRP
CCn1cnnc1[C@@H]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1	ZINC000161424460	441997552	/nfs/dbraw/zinc/99/75/52/441997552.db2.gz	MFQTTXREYHEGGG-OAHLLOKOSA-N	2	0	348.495	1.078	20	70		EDIDRP
O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1	ZINC000160716864	441913230	/nfs/dbraw/zinc/91/32/30/441913230.db2.gz	YTHYXQVVBFKDMW-SFHVURJKSA-N	2	0	334.508	1.988	20	70		EDIDRP
OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCN(C3CC3)C2)CC1	ZINC000161210841	441972632	/nfs/dbraw/zinc/97/26/32/441972632.db2.gz	XNQGAHZINPLYNC-GOSISDBHSA-N	2	0	329.488	1.970	20	70		EDIDRP
C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCOCC1	ZINC000161287834	441980683	/nfs/dbraw/zinc/98/06/83/441980683.db2.gz	FJBJFJATAWYOIR-HNNXBMFYSA-N	2	0	333.476	1.883	20	70		EDIDRP
C[NH+]1CCN(c2cc(C[NH2+]C3CCC4(CC3)OCCO4)ccn2)CC1	ZINC000161299149	277112257	/nfs/dbraw/zinc/11/22/57/277112257.db2.gz	GMVUVSGRLGPHOF-UHFFFAOYSA-N	2	0	346.475	1.609	20	70		EDIDRP
C[NH+](C)CCN(Cc1ccccn1)C(=O)C[N@H+](C)[C@@H]1CCSC1	ZINC000159643703	441825780	/nfs/dbraw/zinc/82/57/80/441825780.db2.gz	CHVMPOKAJSGGID-MRXNPFEDSA-N	2	0	336.505	1.409	20	70		EDIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000161240217	441976528	/nfs/dbraw/zinc/97/65/28/441976528.db2.gz	CNBOQSGFUVGKTK-GPMSIDNRSA-N	2	0	346.519	1.796	20	70		EDIDRP
CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@](C)(O)C3)CC2)CC1	ZINC000161354640	441989943	/nfs/dbraw/zinc/98/99/43/441989943.db2.gz	MHVAEMHEPXCVGU-SFHVURJKSA-N	2	0	338.496	1.101	20	70		EDIDRP
CC[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@H+](C)[C@H](C)C3)cn2)CC1	ZINC000159465719	441815172	/nfs/dbraw/zinc/81/51/72/441815172.db2.gz	YBANZDXNUDCFBD-SJLPKXTDSA-N	2	0	331.508	1.796	20	70		EDIDRP
C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000161242582	441976482	/nfs/dbraw/zinc/97/64/82/441976482.db2.gz	MIHRHJIANYEEOX-QAPCUYQASA-N	2	0	332.492	1.408	20	70		EDIDRP
CCC1(CO)CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1	ZINC000160179455	206284139	/nfs/dbraw/zinc/28/41/39/206284139.db2.gz	RJXAKGMVRYBBEQ-GOSISDBHSA-N	2	0	347.503	1.890	20	70		EDIDRP
O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1	ZINC000160716715	441913004	/nfs/dbraw/zinc/91/30/04/441913004.db2.gz	YTHYXQVVBFKDMW-GOSISDBHSA-N	2	0	334.508	1.988	20	70		EDIDRP
C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1	ZINC000160759087	486638190	/nfs/dbraw/zinc/63/81/90/486638190.db2.gz	UTKSSTCKUJVJMC-ZWKOTPCHSA-N	2	0	330.476	1.434	20	70		EDIDRP
CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)c1	ZINC000161496194	540034876	/nfs/dbraw/zinc/03/48/76/540034876.db2.gz	IIHYBLXYKYKCSU-KGLIPLIRSA-N	2	0	339.505	1.976	20	70		EDIDRP
COCCN1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1	ZINC000161013878	441946654	/nfs/dbraw/zinc/94/66/54/441946654.db2.gz	HEUFSDPCUAPHKX-QGZVFWFLSA-N	2	0	340.512	1.471	20	70		EDIDRP
[NH3+][C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000161210949	486643333	/nfs/dbraw/zinc/64/33/33/486643333.db2.gz	WWOBVMUCYDLJTN-ZWKOTPCHSA-N	2	0	344.503	1.975	20	70		EDIDRP
C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(-n2cnnn2)c1	ZINC000160152342	540020415	/nfs/dbraw/zinc/02/04/15/540020415.db2.gz	KFWGFDGGYONUJO-OAHLLOKOSA-N	2	0	343.479	1.339	20	70		EDIDRP
CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)CC1	ZINC000159600821	441825062	/nfs/dbraw/zinc/82/50/62/441825062.db2.gz	ITGPIMCNTZXHIU-HDICACEKSA-N	2	0	342.487	1.795	20	70		EDIDRP
C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc(-n2cnnn2)c1	ZINC000160663305	540024581	/nfs/dbraw/zinc/02/45/81/540024581.db2.gz	OIPSSRWZUKJTER-CRAIPNDOSA-N	2	0	344.463	1.550	20	70		EDIDRP
CC[N@@H+]1CC[C@H](NCc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H](C)C1	ZINC000161229980	206336509	/nfs/dbraw/zinc/33/65/09/206336509.db2.gz	RZVWJAYRZGHCFH-APWZRJJASA-N	2	0	346.519	1.798	20	70		EDIDRP
CC(C)[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[NH+](C)C	ZINC000160494170	441888237	/nfs/dbraw/zinc/88/82/37/441888237.db2.gz	QXQLCTCGSPOPFD-KZNAEPCWSA-N	2	0	333.476	1.324	20	70		EDIDRP
CCn1cnnc1[C@H]1CCCN(CC(=O)NC2CC[NH+](CC)CC2)C1	ZINC000161424584	441997620	/nfs/dbraw/zinc/99/76/20/441997620.db2.gz	MFQTTXREYHEGGG-HNNXBMFYSA-N	2	0	348.495	1.078	20	70		EDIDRP
C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCOCC1	ZINC000160465956	206298676	/nfs/dbraw/zinc/29/86/76/206298676.db2.gz	JVGMNYKFTIPAOJ-CRAIPNDOSA-N	2	0	333.476	1.810	20	70		EDIDRP
C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000161240330	206337218	/nfs/dbraw/zinc/33/72/18/206337218.db2.gz	CNBOQSGFUVGKTK-JTDSTZFVSA-N	2	0	346.519	1.796	20	70		EDIDRP
C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000159380961	441807479	/nfs/dbraw/zinc/80/74/79/441807479.db2.gz	WIDLOYLDZPMCLZ-HOTGVXAUSA-N	2	0	333.476	1.468	20	70		EDIDRP
CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1	ZINC000161407769	486644325	/nfs/dbraw/zinc/64/43/25/486644325.db2.gz	BRNWPDZVCDIXCJ-IRXDYDNUSA-N	2	0	330.476	1.828	20	70		EDIDRP
O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000160088924	225335198	/nfs/dbraw/zinc/33/51/98/225335198.db2.gz	IEDHEHCYHAZBGZ-RBUKOAKNSA-N	2	0	345.487	1.614	20	70		EDIDRP
C[NH+](C)CCn1ccc(NC(=O)N2CCC([NH2+]C3CCCC3)CC2)n1	ZINC000160078512	441857536	/nfs/dbraw/zinc/85/75/36/441857536.db2.gz	OJRZKIPNAXPRIS-UHFFFAOYSA-N	2	0	348.495	1.973	20	70		EDIDRP
C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](CCO)C(C)(C)C)c1ccccc1	ZINC000160547966	441894785	/nfs/dbraw/zinc/89/47/85/441894785.db2.gz	UUBPREIGHOCPSH-IRXDYDNUSA-N	2	0	335.492	1.792	20	70		EDIDRP
CC[N@@H+]1CCCN(C(=O)NCC[NH+](C)Cc2ccc(F)cc2)CC1	ZINC000159946749	529024426	/nfs/dbraw/zinc/02/44/26/529024426.db2.gz	DXVRXJZLBISERA-UHFFFAOYSA-N	2	0	336.455	1.995	20	70		EDIDRP
CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCOC	ZINC000160977284	441942800	/nfs/dbraw/zinc/94/28/00/441942800.db2.gz	FHIKECDBXCUQJZ-JKSUJKDBSA-N	2	0	326.485	1.223	20	70		EDIDRP
CC(C)OCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C(C)C)CC1	ZINC000159400867	527953971	/nfs/dbraw/zinc/95/39/71/527953971.db2.gz	YXTVAJYSMAUMEO-UHFFFAOYSA-N	2	0	342.528	1.857	20	70		EDIDRP
Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1	ZINC000161422294	486644397	/nfs/dbraw/zinc/64/43/97/486644397.db2.gz	WBOVAZNLGSHURX-QZTJIDSGSA-N	2	0	344.503	1.893	20	70		EDIDRP
C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-n2cncn2)cc1	ZINC000160286365	533856503	/nfs/dbraw/zinc/85/65/03/533856503.db2.gz	YIPVJEGZNRZUON-INIZCTEOSA-N	2	0	342.491	1.944	20	70		EDIDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	ZINC000160393648	441876841	/nfs/dbraw/zinc/87/68/41/441876841.db2.gz	PFZJRMXCYYIUDA-CVEARBPZSA-N	2	0	326.485	1.079	20	70		EDIDRP
CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH2+]C)cc2)CC1	ZINC000161260464	441978738	/nfs/dbraw/zinc/97/87/38/441978738.db2.gz	OZMGREWEYSAMEE-GOSISDBHSA-N	2	0	330.476	1.653	20	70		EDIDRP
C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1	ZINC000160759197	486638172	/nfs/dbraw/zinc/63/81/72/486638172.db2.gz	UTKSSTCKUJVJMC-ROUUACIJSA-N	2	0	330.476	1.434	20	70		EDIDRP
CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1	ZINC000159597258	529023524	/nfs/dbraw/zinc/02/35/24/529023524.db2.gz	LPNQGGDSEUMVTO-UHFFFAOYSA-N	2	0	345.491	1.783	20	70		EDIDRP
C[C@H](O)[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1	ZINC000159431071	441813208	/nfs/dbraw/zinc/81/32/08/441813208.db2.gz	JIXVFRFPSMVJRA-SZMVWBNQSA-N	2	0	333.476	1.498	20	70		EDIDRP
C[NH+](C)C[C@](C)(O)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1	ZINC000159473939	282141208	/nfs/dbraw/zinc/14/12/08/282141208.db2.gz	ZVHNEIFZJGAENY-HXUWFJFHSA-N	2	0	347.503	1.718	20	70		EDIDRP
CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1	ZINC000159881796	441844827	/nfs/dbraw/zinc/84/48/27/441844827.db2.gz	JILPGOVQNPXHAM-INIZCTEOSA-N	2	0	338.496	1.225	20	70		EDIDRP
C[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1CO	ZINC000159442945	441813482	/nfs/dbraw/zinc/81/34/82/441813482.db2.gz	PHIBYXUDTILWTK-RYQLBKOJSA-N	2	0	333.476	1.498	20	70		EDIDRP
C[NH+](C)Cc1cc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)ccc1F	ZINC000159635104	441825730	/nfs/dbraw/zinc/82/57/30/441825730.db2.gz	ZGEFDHGKVCPFFV-HNNXBMFYSA-N	2	0	339.480	1.941	20	70		EDIDRP
C[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000160533646	441894125	/nfs/dbraw/zinc/89/41/25/441894125.db2.gz	DCWOTZIIPQFRHD-KRWDZBQOSA-N	2	0	330.476	1.409	20	70		EDIDRP
CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1	ZINC000161407631	486644371	/nfs/dbraw/zinc/64/43/71/486644371.db2.gz	BRNWPDZVCDIXCJ-DLBZAZTESA-N	2	0	330.476	1.828	20	70		EDIDRP
OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(CC(F)(F)F)CC1	ZINC000160677383	441908017	/nfs/dbraw/zinc/90/80/17/441908017.db2.gz	CQIQNKOVASNNTF-HNNXBMFYSA-N	2	0	337.430	1.840	20	70		EDIDRP
C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-n2cnnn2)cc1	ZINC000160745840	441915532	/nfs/dbraw/zinc/91/55/32/441915532.db2.gz	LJFJZCGWQUREDN-CRAIPNDOSA-N	2	0	344.463	1.550	20	70		EDIDRP
C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H]1C(C)(C)O)c1ccccc1	ZINC000159414961	138636650	/nfs/dbraw/zinc/63/66/50/138636650.db2.gz	FJUDLEZTDUJPAG-IRXDYDNUSA-N	2	0	333.476	1.641	20	70		EDIDRP
C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1	ZINC000160485420	441888775	/nfs/dbraw/zinc/88/87/75/441888775.db2.gz	RZIUCNDULRVTAT-MRXNPFEDSA-N	2	0	349.475	1.204	20	70		EDIDRP
C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1cnn(C)c1	ZINC000161245472	441975810	/nfs/dbraw/zinc/97/58/10/441975810.db2.gz	RQXDUPBGQYVYJM-AWEZNQCLSA-N	2	0	329.448	1.562	20	70		EDIDRP
[NH3+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000160993437	486641353	/nfs/dbraw/zinc/64/13/53/486641353.db2.gz	NZQTXLOHDJQGFW-IRXDYDNUSA-N	2	0	330.476	1.585	20	70		EDIDRP
C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1	ZINC000159381044	533649164	/nfs/dbraw/zinc/64/91/64/533649164.db2.gz	WIDLOYLDZPMCLZ-CVEARBPZSA-N	2	0	333.476	1.468	20	70		EDIDRP
CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cnn(C)c3)cn2)CC1	ZINC000159502700	441818632	/nfs/dbraw/zinc/81/86/32/441818632.db2.gz	GMGMVNBARIKWML-OAHLLOKOSA-N	2	0	328.464	1.808	20	70		EDIDRP
CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1	ZINC000159881936	441844593	/nfs/dbraw/zinc/84/45/93/441844593.db2.gz	JILPGOVQNPXHAM-MRXNPFEDSA-N	2	0	338.496	1.225	20	70		EDIDRP
OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(CC(F)(F)F)CC1	ZINC000160677226	441908192	/nfs/dbraw/zinc/90/81/92/441908192.db2.gz	CQIQNKOVASNNTF-OAHLLOKOSA-N	2	0	337.430	1.840	20	70		EDIDRP
[NH3+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000160993313	486641420	/nfs/dbraw/zinc/64/14/20/486641420.db2.gz	NZQTXLOHDJQGFW-DLBZAZTESA-N	2	0	330.476	1.585	20	70		EDIDRP
C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1	ZINC000159533137	225234125	/nfs/dbraw/zinc/23/41/25/225234125.db2.gz	ZEEFXTRYFFPNNX-KSZLIROESA-N	2	0	333.476	1.498	20	70		EDIDRP
Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1	ZINC000161422432	486644268	/nfs/dbraw/zinc/64/42/68/486644268.db2.gz	WBOVAZNLGSHURX-MSOLQXFVSA-N	2	0	344.503	1.893	20	70		EDIDRP
C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-n2cncn2)cc1	ZINC000160286486	533394123	/nfs/dbraw/zinc/39/41/23/533394123.db2.gz	YIPVJEGZNRZUON-MRXNPFEDSA-N	2	0	342.491	1.944	20	70		EDIDRP
CC(C)[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[NH+](C)C	ZINC000160494015	441888160	/nfs/dbraw/zinc/88/81/60/441888160.db2.gz	QXQLCTCGSPOPFD-RCCFBDPRSA-N	2	0	333.476	1.324	20	70		EDIDRP
C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1cccc(C(=O)NCC[NH+](C)C)c1	ZINC000161239957	441976153	/nfs/dbraw/zinc/97/61/53/441976153.db2.gz	CNBOQSGFUVGKTK-MDZRGWNJSA-N	2	0	346.519	1.796	20	70		EDIDRP
[NH3+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1	ZINC000160993697	486641479	/nfs/dbraw/zinc/64/14/79/486641479.db2.gz	NZQTXLOHDJQGFW-SJORKVTESA-N	2	0	330.476	1.585	20	70		EDIDRP
O=C(N1CC[NH2+]CC1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1	ZINC000159420148	225213270	/nfs/dbraw/zinc/21/32/70/225213270.db2.gz	VAEFAHXQYDQBOC-MRXNPFEDSA-N	2	0	341.377	1.873	20	70		EDIDRP
C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1	ZINC000160759322	486638319	/nfs/dbraw/zinc/63/83/19/486638319.db2.gz	UTKSSTCKUJVJMC-QZTJIDSGSA-N	2	0	330.476	1.434	20	70		EDIDRP
O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC(C[NH+]2CCCC2)CC1	ZINC000160481639	441887565	/nfs/dbraw/zinc/88/75/65/441887565.db2.gz	RNKJQGICMURIAO-UHFFFAOYSA-N	2	0	348.491	1.659	20	70		EDIDRP
C[NH2+][C@@H]1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)C1	ZINC000160800833	532968679	/nfs/dbraw/zinc/96/86/79/532968679.db2.gz	CNJOSJBHJWYEHR-QGZVFWFLSA-N	2	0	330.476	1.651	20	70		EDIDRP
CC[N@H+](C)[C@H](C(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1	ZINC000160704197	441911746	/nfs/dbraw/zinc/91/17/46/441911746.db2.gz	LJQJMDDMGBWICV-SFHVURJKSA-N	2	0	333.476	1.500	20	70		EDIDRP
CCC[C@H]1CN(C(=O)NC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCOC	ZINC000160977423	441942639	/nfs/dbraw/zinc/94/26/39/441942639.db2.gz	FHIKECDBXCUQJZ-HOTGVXAUSA-N	2	0	326.485	1.223	20	70		EDIDRP
O=C(NC[C@@H](O)C[NH+]1CCCCC1)c1cccc(C[NH+]2CCCC2)c1	ZINC000160492381	272929843	/nfs/dbraw/zinc/92/98/43/272929843.db2.gz	HBBWCHBRRYHDIQ-LJQANCHMSA-N	2	0	345.487	1.859	20	70		EDIDRP
CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1	ZINC000161407899	486644390	/nfs/dbraw/zinc/64/43/90/486644390.db2.gz	BRNWPDZVCDIXCJ-IAGOWNOFSA-N	2	0	330.476	1.828	20	70		EDIDRP
CCN1CC[NH+](CCCCNC(=O)N2CCC[N@H+](CC)CC2)CC1	ZINC000159639127	441826748	/nfs/dbraw/zinc/82/67/48/441826748.db2.gz	KYBHPAXMSTYHAM-UHFFFAOYSA-N	2	0	339.528	1.141	20	70		EDIDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	ZINC000160394060	441876633	/nfs/dbraw/zinc/87/66/33/441876633.db2.gz	PFZJRMXCYYIUDA-JKSUJKDBSA-N	2	0	326.485	1.079	20	70		EDIDRP
CC[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCOC1	ZINC000161264905	441978636	/nfs/dbraw/zinc/97/86/36/441978636.db2.gz	KMYKOGSOTBFVTQ-QZTJIDSGSA-N	2	0	333.476	1.883	20	70		EDIDRP
CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1	ZINC000159804797	285210131	/nfs/dbraw/zinc/21/01/31/285210131.db2.gz	YUHBYACGUFSJEW-UHFFFAOYSA-N	2	0	326.485	1.225	20	70		EDIDRP
CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCCC2=O)[C@H](C)C1	ZINC000159503206	441817596	/nfs/dbraw/zinc/81/75/96/441817596.db2.gz	KLMJREFGLBRLRC-IAGOWNOFSA-N	2	0	325.497	1.726	20	70		EDIDRP
CCN(CC)C(=O)C[N@@H+]1CCCN(CCC[NH+]2CCCCC2)CC1	ZINC000160540492	441893761	/nfs/dbraw/zinc/89/37/61/441893761.db2.gz	BYYCNLMEFUXQRY-UHFFFAOYSA-N	2	0	338.540	1.739	20	70		EDIDRP
C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-n2cnnn2)cc1	ZINC000160268078	206288502	/nfs/dbraw/zinc/28/85/02/206288502.db2.gz	RQQVTKJLPBPLEL-HNNXBMFYSA-N	2	0	343.479	1.339	20	70		EDIDRP
Cc1ccc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1	ZINC000160492096	206299880	/nfs/dbraw/zinc/29/98/80/206299880.db2.gz	UQTTWCFKMBNPDY-UHFFFAOYSA-N	2	0	349.479	1.061	20	70		EDIDRP
C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H]([NH+](C)C)C2)CC1	ZINC000161331583	287157057	/nfs/dbraw/zinc/15/70/57/287157057.db2.gz	KWRKLMVUOPKZAL-YJBOKZPZSA-N	2	0	345.491	1.953	20	70		EDIDRP
C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC[NH+](C)CC1	ZINC000161285852	540032159	/nfs/dbraw/zinc/03/21/59/540032159.db2.gz	UNZVOBGRGHNWIY-MRXNPFEDSA-N	3	0	346.519	1.798	20	70		EDIDRP
CC(=O)NC1CCC([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)CC1	ZINC000161298983	441982359	/nfs/dbraw/zinc/98/23/59/441982359.db2.gz	XTKURWWPTULRDX-UHFFFAOYSA-N	2	0	345.491	1.370	20	70		EDIDRP
O=C(c1ccco1)N1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1	ZINC000160764237	441918142	/nfs/dbraw/zinc/91/81/42/441918142.db2.gz	YNESLUOQGIMTDQ-QGZVFWFLSA-N	2	0	349.475	1.711	20	70		EDIDRP
C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](CCO)C(C)(C)C)c1ccccc1	ZINC000160548230	441895162	/nfs/dbraw/zinc/89/51/62/441895162.db2.gz	UUBPREIGHOCPSH-SJORKVTESA-N	2	0	335.492	1.792	20	70		EDIDRP
Cc1ccc(C(=O)CC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1	ZINC000160491198	441888286	/nfs/dbraw/zinc/88/82/86/441888286.db2.gz	GDSDUKLLSKEAGJ-UHFFFAOYSA-N	2	0	345.487	1.958	20	70		EDIDRP
CC[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCOC1	ZINC000161264758	441978344	/nfs/dbraw/zinc/97/83/44/441978344.db2.gz	KMYKOGSOTBFVTQ-MSOLQXFVSA-N	2	0	333.476	1.883	20	70		EDIDRP
CC[N@@H+]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1	ZINC000159579191	441822946	/nfs/dbraw/zinc/82/29/46/441822946.db2.gz	KBIZOAXINPCSHM-IYBDPMFKSA-N	2	0	326.485	1.223	20	70		EDIDRP
CN(c1ccccc1C[N@@H+]1CCC[C@@H]1C(N)=O)C1CC[NH+](C)CC1	ZINC000160343776	530036965	/nfs/dbraw/zinc/03/69/65/530036965.db2.gz	KVZSFLQPJAWCIR-GOSISDBHSA-N	2	0	330.476	1.667	20	70		EDIDRP
C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC[NH+](C)CC1	ZINC000161285751	540032359	/nfs/dbraw/zinc/03/23/59/540032359.db2.gz	UNZVOBGRGHNWIY-INIZCTEOSA-N	3	0	346.519	1.798	20	70		EDIDRP
O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1	ZINC000160634415	441904118	/nfs/dbraw/zinc/90/41/18/441904118.db2.gz	ASHBBNMPGUDEQD-IBGZPJMESA-N	2	0	345.487	1.472	20	70		EDIDRP
CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH2+]C)cc2)CC1	ZINC000161260598	441978770	/nfs/dbraw/zinc/97/87/70/441978770.db2.gz	OZMGREWEYSAMEE-SFHVURJKSA-N	2	0	330.476	1.653	20	70		EDIDRP
CCc1ncc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cn1	ZINC000161167733	441965768	/nfs/dbraw/zinc/96/57/68/441965768.db2.gz	XWVKJCQQYSMYSI-INIZCTEOSA-N	2	0	348.495	1.919	20	70		EDIDRP