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)CCNS(=O)(=O)c1ccc(NCC[NH3+])c2nonc21	ZINC000086003239	203547971	/nfs/dbraw/zinc/54/79/71/203547971.db2.gz	QKTBJERNSIEPPM-UHFFFAOYSA-N	2	0	328.398	-0.567	50	0		EBAARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2nc(-c3cccnc3)no2)C1	ZINC000065534387	376227253	/nfs/dbraw/zinc/22/72/53/376227253.db2.gz	FCDHMGBVPRCQKS-MLGOLLRUSA-N	2	0	328.376	-0.101	50	0		EBAARP
CCNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000067819098	376249573	/nfs/dbraw/zinc/24/95/73/376249573.db2.gz	NFULKMKMUZLCJQ-CRWXNKLISA-N	2	0	326.441	-0.450	50	0		EBAARP
CC[NH+]1CCN(CC(=O)NCCC[N@@H+]2CCCC[C@@H]2CO)CC1	ZINC000584891951	379121541	/nfs/dbraw/zinc/12/15/41/379121541.db2.gz	ZLYZGMUTMDDPRH-MRXNPFEDSA-N	2	0	326.485	-0.023	50	0		EBAARP
C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cn1	ZINC000079111332	379488325	/nfs/dbraw/zinc/48/83/25/379488325.db2.gz	IZHNUAZWAYERJU-CQSZACIVSA-N	2	0	336.440	-0.160	50	0		EBAARP
COC[C@@H](C)NC(=O)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1	ZINC000670474360	546012238	/nfs/dbraw/zinc/01/22/38/546012238.db2.gz	COXWDPMGXVNBKR-CYBMUJFWSA-N	2	0	326.441	-0.719	50	0		EBAARP
C[NH+]1CCC(OCCCNC(=O)[C@H]2CCC[N@H+](CC(N)=O)C2)CC1	ZINC000952972505	654514674	/nfs/dbraw/zinc/51/46/74/654514674.db2.gz	PTHGVWIIADVZGN-AWEZNQCLSA-N	2	0	340.468	-0.199	50	0		EBAARP
CN(C[C@@H]1CCC[N@H+](CCO)C1)C(=O)[C@@H]1CCC[NH+](CC(N)=O)C1	ZINC000952969605	654515038	/nfs/dbraw/zinc/51/50/38/654515038.db2.gz	DLMPOOFCEJWJSJ-LSDHHAIUSA-N	2	0	340.468	-0.654	50	0		EBAARP
NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1	ZINC000952865908	803808579	/nfs/dbraw/zinc/80/85/79/803808579.db2.gz	ZBBHJOWZAPQTQV-ZIAGYGMSSA-N	2	0	326.441	-0.996	50	0		EBAARP
[NH3+]CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCOCC3)C2)CC1	ZINC000071736516	203105346	/nfs/dbraw/zinc/10/53/46/203105346.db2.gz	BIMGZMMKELHVPS-CQSZACIVSA-N	2	0	338.452	-0.493	50	0		EBAARP
Cc1cc(C)nc(N2CCN(C(=O)[C@@]34C[NH2+]C[C@@H]3C[N@@H+](C)C4)CC2)n1	ZINC000065407156	376224259	/nfs/dbraw/zinc/22/42/59/376224259.db2.gz	QDKGKIJHNNYWEB-CRAIPNDOSA-N	2	0	344.463	-0.107	50	0		EBAARP
[NH3+][C@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCOCC1	ZINC000262072316	154210597	/nfs/dbraw/zinc/21/05/97/154210597.db2.gz	SMEFKANGEKWSMI-RYUDHWBXSA-N	2	0	338.374	-0.307	50	0		EBAARP
CC[NH+]1CCN(CC(=O)NC[C@@H](O)C[NH+]2CCCCCC2)CC1	ZINC000952980008	654514963	/nfs/dbraw/zinc/51/49/63/654514963.db2.gz	WYGORAHOSBKODV-MRXNPFEDSA-N	2	0	326.485	-0.023	50	0		EBAARP
C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1	ZINC000077285126	203377470	/nfs/dbraw/zinc/37/74/70/203377470.db2.gz	PAOUHHOGFHBFCR-CQSZACIVSA-N	2	0	335.456	-0.603	50	0		EBAARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2n[nH]c(=O)c3ccccc23)C1	ZINC000067954409	376251842	/nfs/dbraw/zinc/25/18/42/376251842.db2.gz	NCZPESDUZZAAJH-PIGZYNQJSA-N	2	0	327.388	-0.310	50	0		EBAARP
C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C	ZINC000106869146	379153404	/nfs/dbraw/zinc/15/34/04/379153404.db2.gz	PHILVQNZHBVYRU-ALYAQQCSSA-N	2	0	329.485	-0.157	50	0		EBAARP
CC(C)[N@@H+]1C[C@H](O)[C@@H](NC(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)C1	ZINC000244858553	381339690	/nfs/dbraw/zinc/33/96/90/381339690.db2.gz	VNGKJTZJHJRUOT-XFMPKHEZSA-N	2	0	336.440	-0.096	50	0		EBAARP
C[NH+](C)C[C@@]1(O)CCN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)C1	ZINC000252497885	419860621	/nfs/dbraw/zinc/86/06/21/419860621.db2.gz	GNGVYSBXLFVCSF-ZENOOKHLSA-N	2	0	336.440	-0.141	50	0		EBAARP
COCCc1noc(CN(C)C(=O)[C@@H]2CC3(C[NH2+]2)CC[NH2+]CC3)n1	ZINC000072161697	203176015	/nfs/dbraw/zinc/17/60/15/203176015.db2.gz	WMWWBGHWVRFIEP-LBPRGKRZSA-N	2	0	337.424	-0.051	50	0		EBAARP
C[N@@H+]1CCC[C@H]1CCNC(=O)c1cn(CCN2CC[NH2+]CC2)nn1	ZINC000077285132	203376721	/nfs/dbraw/zinc/37/67/21/203376721.db2.gz	PAOUHHOGFHBFCR-AWEZNQCLSA-N	2	0	335.456	-0.603	50	0		EBAARP
O=C(NCCOCCO)[C@@]12C[NH2+]C[C@@H]1C[N@H+](Cc1ccccc1)C2	ZINC000065396919	376223682	/nfs/dbraw/zinc/22/36/82/376223682.db2.gz	LGWSBSMNZDRRBN-SJLPKXTDSA-N	2	0	333.432	-0.167	50	0		EBAARP
[NH3+]CCNC(=O)N[C@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3	ZINC000426555401	650010072	/nfs/dbraw/zinc/01/00/72/650010072.db2.gz	FVMVWHXEXOXNGH-HQVVEAJESA-N	2	0	329.448	-0.188	50	0		EBAARP
C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@H]1CC[NH2+]C1)C2	ZINC000067954329	376252632	/nfs/dbraw/zinc/25/26/32/376252632.db2.gz	HELIXPGWQWPUPS-LBPRGKRZSA-N	2	0	334.424	-0.874	50	0		EBAARP
COCC[N@@H+]1CC[C@H](C(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)C1	ZINC000252508636	379133621	/nfs/dbraw/zinc/13/36/21/379133621.db2.gz	XQCPOUUFWOPTBR-AWEZNQCLSA-N	2	0	348.451	-0.016	50	0		EBAARP
[NH3+][C@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCOCC1	ZINC000262072311	154210373	/nfs/dbraw/zinc/21/03/73/154210373.db2.gz	SMEFKANGEKWSMI-NEPJUHHUSA-N	2	0	338.374	-0.307	50	0		EBAARP
C[NH+](C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)[C@H]1C=CC[NH2+]1)C2	ZINC000065405317	376225208	/nfs/dbraw/zinc/22/52/08/376225208.db2.gz	HTEZBNVGXGQRML-CQSZACIVSA-N	2	0	346.435	-0.565	50	0		EBAARP
Cc1cc(N2CCC3(CC2)CC[N@H+](CC(N)=O)C[C@H]3CO)nc(N)[nH+]1	ZINC000097732584	376521468	/nfs/dbraw/zinc/52/14/68/376521468.db2.gz	QCBCDAIULVUGDI-ZDUSSCGKSA-N	2	0	348.451	-0.247	50	0		EBAARP
CS(=O)(=O)NCc1cc2n(n1)CCC[N@H+](C[C@H]1[C@@H]3C[NH2+]C[C@H]13)C2	ZINC000102665630	376543455	/nfs/dbraw/zinc/54/34/55/376543455.db2.gz	RWFJQGHNBMOQJP-FICVDOATSA-N	2	0	339.465	-0.397	50	0		EBAARP
C[N@@H+]1CCCN(CC(=O)NCCC[NH+]2CCCC[C@@H]2CO)CC1	ZINC000670470874	546012286	/nfs/dbraw/zinc/01/22/86/546012286.db2.gz	OFWWFQHCRBPBOM-MRXNPFEDSA-N	2	0	326.485	-0.023	50	0		EBAARP
C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000065526230	719402477	/nfs/dbraw/zinc/40/24/77/719402477.db2.gz	JHULDQJGVUVKHG-CQSZACIVSA-N	2	0	345.447	-0.085	50	0		EBAARP
CC(=O)N1CCN(C(=O)C[N@H+](C)CC2CC[NH+](CCO)CC2)CC1	ZINC000075131268	203304864	/nfs/dbraw/zinc/30/48/64/203304864.db2.gz	DVRSVQQXDDQTCT-UHFFFAOYSA-N	2	0	340.468	-0.687	50	0		EBAARP
O=C(NCCc1nc2ccccc2c(=O)[nH]1)C12C[NH2+]CC1C[NH2+]C2	ZINC000096137886	376489809	/nfs/dbraw/zinc/48/98/09/376489809.db2.gz	IGQIMHPUYLCHOR-UHFFFAOYSA-N	2	0	327.388	-0.609	50	0		EBAARP
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)C23C[NH2+]CC2C[NH2+]C3)CC1	ZINC000065396135	303236514	/nfs/dbraw/zinc/23/65/14/303236514.db2.gz	LNWXDAGQBYACQA-UHFFFAOYSA-N	3	0	349.479	-0.872	50	0		EBAARP
O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCC[N@@H+]2CCC[C@H]2C1	ZINC000077339447	376340706	/nfs/dbraw/zinc/34/07/06/376340706.db2.gz	LOKMGEIVORVQEK-HNNXBMFYSA-N	2	0	347.467	-0.506	50	0		EBAARP
C[N@@H+]1CCCN(CC(=O)N2CC[NH+](CC3CC3)[C@@H](CCO)C2)CC1	ZINC000106274476	376575549	/nfs/dbraw/zinc/57/55/49/376575549.db2.gz	ZQKDSLLJEZMVDC-KRWDZBQOSA-N	2	0	338.496	-0.071	50	0		EBAARP
C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C	ZINC000248318868	376848548	/nfs/dbraw/zinc/84/85/48/376848548.db2.gz	PHILVQNZHBVYRU-WOYTXXSLSA-N	2	0	329.485	-0.157	50	0		EBAARP
COCC[N@@H+]1CC[C@@H](C(=O)N2CCN(c3cc(C)[nH+]c(N)n3)CC2)C1	ZINC000252508637	379131886	/nfs/dbraw/zinc/13/18/86/379131886.db2.gz	XQCPOUUFWOPTBR-CQSZACIVSA-N	2	0	348.451	-0.016	50	0		EBAARP
NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)CN2CC[NH2+]CC2)CC1	ZINC000019875107	212078507	/nfs/dbraw/zinc/07/85/07/212078507.db2.gz	NZBJSSQOJIPFQA-UHFFFAOYSA-N	2	0	337.468	-0.776	50	0		EBAARP
Cn1ccnc1[C@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CCN1C	ZINC000253392403	379106256	/nfs/dbraw/zinc/10/62/56/379106256.db2.gz	AKZAHKRARTYSMC-OAHLLOKOSA-N	2	0	334.468	-0.127	50	0		EBAARP
Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3C[NH2+]C[C@H]3O)CC2)c1	ZINC000252508669	379131660	/nfs/dbraw/zinc/13/16/60/379131660.db2.gz	XQQRVICGRPSHQJ-IAGOWNOFSA-N	2	0	332.448	-0.044	50	0		EBAARP
C[NH+](C)C[C@]1(O)CCN(C(=O)c2cn([C@H]3CC[C@@H]([NH3+])CC3)nn2)C1	ZINC000252497884	419860518	/nfs/dbraw/zinc/86/05/18/419860518.db2.gz	GNGVYSBXLFVCSF-DVOMOZLQSA-N	2	0	336.440	-0.141	50	0		EBAARP
C[C@]1(C(=O)NC[C@H](C[NH3+])NC(=O)[C@]2(C)CCCC[NH2+]2)CCCC[NH2+]1	ZINC000888096633	582605515	/nfs/dbraw/zinc/60/55/15/582605515.db2.gz	NJNPRQSZIMRUIU-XKQJLSEDSA-N	3	0	339.484	-0.390	50	0		EBAARP
CCN1CCC(CNC(=O)C2(O)CC[NH+](C)CC2)([NH+](C)C)CC1	ZINC000823107375	1127714287	/nfs/dbraw/zinc/71/42/87/1127714287.db2.gz	QFJOJUNPHDZZGR-UHFFFAOYSA-N	2	0	326.485	-0.025	50	0		EBAARP
C[NH+](C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1CCC[NH2+]1)C2	ZINC000065502592	214936657	/nfs/dbraw/zinc/93/66/57/214936657.db2.gz	UCBBTHQFEAGCCC-AWEZNQCLSA-N	2	0	348.451	-0.341	50	0		EBAARP
CC(=O)N1CCN(C(=O)[C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)CC1	ZINC000071870950	380008057	/nfs/dbraw/zinc/00/80/57/380008057.db2.gz	ACXQHFLPNDGXCG-CQSZACIVSA-N	2	0	340.468	-0.641	50	0		EBAARP
C[NH+]1CCOCCOCCOCC[N@@H+](C)CCOCCOCC1	ZINC000003895817	419323195	/nfs/dbraw/zinc/32/31/95/419323195.db2.gz	AZBGDFBOXRCOJQ-UHFFFAOYSA-N	2	0	334.457	-0.053	50	0		EBAARP
Cc1nc(CN2CCN(C(=O)[C@@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CC2)no1	ZINC000072141771	216027434	/nfs/dbraw/zinc/02/74/34/216027434.db2.gz	NLPIADKBTNACGI-AWEZNQCLSA-N	2	0	348.451	-0.246	50	0		EBAARP
O[C@@H](Cn1ccnc1-c1cc2n(n1)CC[NH2+]C2)CN1CC[NH2+]CC1	ZINC000072431173	216224150	/nfs/dbraw/zinc/22/41/50/216224150.db2.gz	MKKFJDYCFUOUKM-CQSZACIVSA-N	2	0	331.424	-0.884	50	0		EBAARP
C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C	ZINC000248318867	376846886	/nfs/dbraw/zinc/84/68/86/376846886.db2.gz	PHILVQNZHBVYRU-VIQHNZTISA-N	2	0	329.485	-0.157	50	0		EBAARP
CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1	ZINC000071877537	380007294	/nfs/dbraw/zinc/00/72/94/380007294.db2.gz	OXFYMHKGORJNHZ-HUUCEWRRSA-N	2	0	326.485	-0.026	50	0		EBAARP
C[C@]1(C(=O)NC[C@H](C[NH3+])NC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1	ZINC000888096533	582605396	/nfs/dbraw/zinc/60/53/96/582605396.db2.gz	HUHMXNIMBHVRMN-JQFCIGGWSA-N	3	0	339.484	-0.675	50	0		EBAARP
CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)CC1	ZINC000071870949	380007983	/nfs/dbraw/zinc/00/79/83/380007983.db2.gz	ACXQHFLPNDGXCG-AWEZNQCLSA-N	2	0	340.468	-0.641	50	0		EBAARP
C[C@]1(C(=O)NC[C@@H](C[NH3+])NC(=O)[C@]2(C)CCCC[NH2+]2)CCCC[NH2+]1	ZINC000888096637	582605436	/nfs/dbraw/zinc/60/54/36/582605436.db2.gz	NJNPRQSZIMRUIU-XYPHTWIQSA-N	3	0	339.484	-0.390	50	0		EBAARP
CN(C[C@H]1CCC[N@H+](CCO)C1)C(=O)[C@@H]1CCC[NH+](CC(N)=O)C1	ZINC000952969597	654515120	/nfs/dbraw/zinc/51/51/20/654515120.db2.gz	DLMPOOFCEJWJSJ-HUUCEWRRSA-N	2	0	340.468	-0.654	50	0		EBAARP
CN(C[C@H]1CCC[N@H+](CCO)C1)C(=O)[C@H]1CCC[NH+](CC(N)=O)C1	ZINC000952969573	654515215	/nfs/dbraw/zinc/51/52/15/654515215.db2.gz	DLMPOOFCEJWJSJ-CABCVRRESA-N	2	0	340.468	-0.654	50	0		EBAARP
C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCn1[nH]c(=O)c2ccccc2c1=O	ZINC000065526229	719402311	/nfs/dbraw/zinc/40/23/11/719402311.db2.gz	JHULDQJGVUVKHG-AWEZNQCLSA-N	2	0	345.447	-0.085	50	0		EBAARP
Cc1nc(CN2CCN(C(=O)[C@H]3CC4(C[NH2+]3)CC[NH2+]CC4)CC2)no1	ZINC000072141772	216026935	/nfs/dbraw/zinc/02/69/35/216026935.db2.gz	NLPIADKBTNACGI-CQSZACIVSA-N	2	0	348.451	-0.246	50	0		EBAARP
CCOCc1nc2c(c(N3C[C@H](O)[C@@H]([NH+](C)C)C3)n1)CC[NH2+]CC2	ZINC000072422145	216210303	/nfs/dbraw/zinc/21/03/03/216210303.db2.gz	OAKZIUFDXNXIJU-GJZGRUSLSA-N	2	0	335.452	-0.188	50	0		EBAARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2nc3ccccc3c(=O)[nH]2)C1	ZINC000065470476	376226227	/nfs/dbraw/zinc/22/62/27/376226227.db2.gz	JFTIJZBMGWXLPH-PIGZYNQJSA-N	2	0	327.388	-0.310	50	0		EBAARP
C[N@@H+]1CCCN(CC(=O)N2CC[NH+](CC3CC3)[C@H](CCO)C2)CC1	ZINC000065508346	376226973	/nfs/dbraw/zinc/22/69/73/376226973.db2.gz	ZQKDSLLJEZMVDC-QGZVFWFLSA-N	2	0	338.496	-0.071	50	0		EBAARP
O=c1[nH]c(CC2CC2)nc2c1CCN(C[C@@]1(O)C[NH2+]CCOC1)C2	ZINC000077539207	376345701	/nfs/dbraw/zinc/34/57/01/376345701.db2.gz	KJXQENOGHYVNFV-KRWDZBQOSA-N	2	0	334.420	-0.156	50	0		EBAARP
C[NH+](C)CCn1cc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cn1	ZINC000079111330	379488967	/nfs/dbraw/zinc/48/89/67/379488967.db2.gz	IZHNUAZWAYERJU-AWEZNQCLSA-N	2	0	336.440	-0.160	50	0		EBAARP
COCCN1C[C@@H](C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)CC1=O	ZINC000299792821	258098023	/nfs/dbraw/zinc/09/80/23/258098023.db2.gz	HCDIPKFSHDDKKA-CQSZACIVSA-N	2	0	348.451	-0.016	50	0		EBAARP
Cc1ncc2c(c1CNC(=O)[C@H]1CCC[N@H+](CC(N)=O)C1)CC[NH2+]C2	ZINC000072470707	258065101	/nfs/dbraw/zinc/06/51/01/258065101.db2.gz	SSNJZZFZJBVAKQ-ZDUSSCGKSA-N	2	0	345.447	-0.151	50	0		EBAARP
CC[N@@H+]1CCC[C@@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(C)(=O)=O	ZINC000045944657	279302309	/nfs/dbraw/zinc/30/23/09/279302309.db2.gz	FYYOZFINCFWYIF-CQSZACIVSA-N	2	0	346.497	-0.446	50	0		EBAARP
COCC[N@H+](C)CCN1CC2(CCN(C(=O)C[NH3+])CC2)OC1=O	ZINC000077301834	563968861	/nfs/dbraw/zinc/96/88/61/563968861.db2.gz	RVIWCSSHMWSHRF-UHFFFAOYSA-N	2	0	328.413	-0.663	50	0		EBAARP
COc1ccc(OC[C@H](O)C[N@H+](C)CCOC[C@H](O)C[NH3+])cc1	ZINC000827110032	803794765	/nfs/dbraw/zinc/79/47/65/803794765.db2.gz	QXAWOOQXONKQHZ-ZIAGYGMSSA-N	2	0	328.409	-0.297	50	0		EBAARP
Cc1cc(N2CCC3(CC2)CC[N@H+](CC(N)=O)C[C@@H]3CO)nc(N)[nH+]1	ZINC000097732582	219052664	/nfs/dbraw/zinc/05/26/64/219052664.db2.gz	QCBCDAIULVUGDI-CYBMUJFWSA-N	2	0	348.451	-0.247	50	0		EBAARP
Cn1c(CN2C(=O)NC3(CC[NH2+]CC3)C2=O)nnc1[C@H]1C[C@H]([NH3+])C1	ZINC000243902045	243031951	/nfs/dbraw/zinc/03/19/51/243031951.db2.gz	BFJQUZTWBLQTPI-MGCOHNPYSA-N	2	0	333.396	-0.806	50	0		EBAARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2nnc(-c3ccncc3)[nH]2)C1	ZINC000065421310	376224073	/nfs/dbraw/zinc/22/40/73/376224073.db2.gz	RNKOORRVPCVSQL-CXAGYDPISA-N	2	0	341.419	-0.323	50	0		EBAARP
CC[NH+]1CCN(CC(=O)NCCC[N@@H+]2CCCC[C@H]2CO)CC1	ZINC000584891950	379120348	/nfs/dbraw/zinc/12/03/48/379120348.db2.gz	ZLYZGMUTMDDPRH-INIZCTEOSA-N	2	0	326.485	-0.023	50	0		EBAARP
C[N@@H+]1CCCN(CC(=O)NCCC[NH+]2CCCC[C@H]2CO)CC1	ZINC000670470873	546012178	/nfs/dbraw/zinc/01/21/78/546012178.db2.gz	OFWWFQHCRBPBOM-INIZCTEOSA-N	2	0	326.485	-0.023	50	0		EBAARP
COc1ccc(OC[C@@H](O)C[N@H+](C)CCOC[C@@H](O)C[NH3+])cc1	ZINC000022589960	649934402	/nfs/dbraw/zinc/93/44/02/649934402.db2.gz	QXAWOOQXONKQHZ-KBPBESRZSA-N	2	0	328.409	-0.297	50	0		EBAARP
C[NH+]1CCC(OCCCNC(=O)[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1	ZINC000952972528	654514929	/nfs/dbraw/zinc/51/49/29/654514929.db2.gz	PTHGVWIIADVZGN-CQSZACIVSA-N	2	0	340.468	-0.199	50	0		EBAARP
O=C(NCc1nc(-c2ncccn2)no1)[C@@H]1CC2(C[NH2+]1)CC[NH2+]CC2	ZINC000072133884	216021979	/nfs/dbraw/zinc/02/19/79/216021979.db2.gz	PIGQMWFFSNGLAA-NSHDSACASA-N	2	0	343.391	-0.126	50	0		EBAARP
O=C(NCc1nc(-c2ncccn2)no1)[C@H]1CC2(C[NH2+]1)CC[NH2+]CC2	ZINC000072133885	216022956	/nfs/dbraw/zinc/02/29/56/216022956.db2.gz	PIGQMWFFSNGLAA-LLVKDONJSA-N	2	0	343.391	-0.126	50	0		EBAARP
[NH3+]CC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCOCC3)C2)CC1	ZINC000071736514	376292045	/nfs/dbraw/zinc/29/20/45/376292045.db2.gz	BIMGZMMKELHVPS-AWEZNQCLSA-N	2	0	338.452	-0.493	50	0		EBAARP
NC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000097402303	219021823	/nfs/dbraw/zinc/02/18/23/219021823.db2.gz	AXTQZNQQVMVGJG-CQSZACIVSA-N	2	0	331.420	-0.073	50	0		EBAARP
CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1	ZINC000241587792	279259378	/nfs/dbraw/zinc/25/93/78/279259378.db2.gz	OXFYMHKGORJNHZ-GJZGRUSLSA-N	2	0	326.485	-0.026	50	0		EBAARP
NC(=O)C[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+](CCO)C2)C1	ZINC000952865906	803809450	/nfs/dbraw/zinc/80/94/50/803809450.db2.gz	ZBBHJOWZAPQTQV-KGLIPLIRSA-N	2	0	326.441	-0.996	50	0		EBAARP
O=C(NCCc1nnc2n1CC[NH2+]CC2)[C@H]1Cc2ccccc2C[NH2+]1	ZINC000067673679	215179375	/nfs/dbraw/zinc/17/93/75/215179375.db2.gz	FFJCIMLLUYLMLX-OAHLLOKOSA-N	2	0	340.431	-0.203	50	0		EBAARP
Nc1nc([C@@H]2CCOC2)cc(N2CCN(CCn3cncn3)CC2)n1	ZINC000426733945	564176431	/nfs/dbraw/zinc/17/64/31/564176431.db2.gz	BNNMVGRNBJUUIL-CYBMUJFWSA-N	2	0	344.423	-0.024	50	0		EBAARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCCc2nc(-c3cccnc3)no2)C1	ZINC000065408617	719401592	/nfs/dbraw/zinc/40/15/92/719401592.db2.gz	YLOBPDLEJKUWQH-CXAGYDPISA-N	2	0	342.403	-0.059	50	0		EBAARP
C[NH+](C)[C@H]1CCCCN(C(=O)c2cn(CCN3CC[NH2+]CC3)nn2)C1	ZINC000082125281	282251814	/nfs/dbraw/zinc/25/18/14/282251814.db2.gz	COVDDGRMKHUHES-HNNXBMFYSA-N	2	0	349.483	-0.260	50	0		EBAARP
CC[N@@H+]1CCC[C@H]1CN(CCC(=O)N1CC[NH2+]CC1)S(C)(=O)=O	ZINC000045944660	419226621	/nfs/dbraw/zinc/22/66/21/419226621.db2.gz	FYYOZFINCFWYIF-AWEZNQCLSA-N	2	0	346.497	-0.446	50	0		EBAARP
O[C@H]1COC[C@@H]1[N@@H+]1CCCN(c2ncnc3c2CC[NH2+]CC3)CC1	ZINC000072424771	649969436	/nfs/dbraw/zinc/96/94/36/649969436.db2.gz	FXCDJQXNPLMQJF-HOTGVXAUSA-N	2	0	333.436	-0.563	50	0		EBAARP
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CN1CCC[N@H+](C)CC1	ZINC000067934665	376252644	/nfs/dbraw/zinc/25/26/44/376252644.db2.gz	FRZDQVFSHMIRJT-CABCVRRESA-N	2	0	339.484	-0.580	50	0		EBAARP
CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1	ZINC000106869305	279259549	/nfs/dbraw/zinc/25/95/49/279259549.db2.gz	OXFYMHKGORJNHZ-CABCVRRESA-N	2	0	326.485	-0.026	50	0		EBAARP
Nc1nc([C@H]2CCOC2)cc(N2CCN(CCn3cncn3)CC2)n1	ZINC000426733946	564176427	/nfs/dbraw/zinc/17/64/27/564176427.db2.gz	BNNMVGRNBJUUIL-ZDUSSCGKSA-N	2	0	344.423	-0.024	50	0		EBAARP
CN(C[C@@H]1CCC[N@H+](CCO)C1)C(=O)[C@H]1CCC[NH+](CC(N)=O)C1	ZINC000952969581	654514974	/nfs/dbraw/zinc/51/49/74/654514974.db2.gz	DLMPOOFCEJWJSJ-GJZGRUSLSA-N	2	0	340.468	-0.654	50	0		EBAARP
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000067846977	215228999	/nfs/dbraw/zinc/22/89/99/215228999.db2.gz	NFULKMKMUZLCJQ-RQJABVFESA-N	2	0	326.441	-0.450	50	0		EBAARP
C[NH+](C)CCNC(=O)c1cc2n(n1)CCCN(C(=O)[C@@H]1C=CC[NH2+]1)C2	ZINC000065405316	376224344	/nfs/dbraw/zinc/22/43/44/376224344.db2.gz	HTEZBNVGXGQRML-AWEZNQCLSA-N	2	0	346.435	-0.565	50	0		EBAARP
CNS(=O)(=O)CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2	ZINC000065527564	376226917	/nfs/dbraw/zinc/22/69/17/376226917.db2.gz	JNOQAGCDFPCHPT-IUODEOHRSA-N	2	0	344.481	-0.884	50	0		EBAARP
NC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1	ZINC000097402304	219022084	/nfs/dbraw/zinc/02/20/84/219022084.db2.gz	AXTQZNQQVMVGJG-AWEZNQCLSA-N	2	0	331.420	-0.073	50	0		EBAARP
C[C@@]1(C(=O)N[C@@H](C[NH3+])CNC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1	ZINC000888096534	582605506	/nfs/dbraw/zinc/60/55/06/582605506.db2.gz	HUHMXNIMBHVRMN-RRQGHBQHSA-N	3	0	339.484	-0.675	50	0		EBAARP
O=C(NCCc1nc(-c2ccccn2)no1)C12C[NH2+]CC1C[NH2+]C2	ZINC000065504341	719402556	/nfs/dbraw/zinc/40/25/56/719402556.db2.gz	FBVWJVJFYAQPFX-UHFFFAOYSA-N	2	0	328.376	-0.401	50	0		EBAARP
CN(CCO)Cc1nnc(C2CC[NH+](C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)n1C	ZINC000101953307	219175535	/nfs/dbraw/zinc/17/55/35/219175535.db2.gz	ARRLLANDXQZNDO-ZSHCYNCHSA-N	2	0	348.495	-0.116	50	0		EBAARP
COCCc1noc(CN(C)C(=O)[C@H]2CC3(C[NH2+]2)CC[NH2+]CC3)n1	ZINC000072161698	216049895	/nfs/dbraw/zinc/04/98/95/216049895.db2.gz	WMWWBGHWVRFIEP-GFCCVEGCSA-N	2	0	337.424	-0.051	50	0		EBAARP
CS(=O)(=O)NCCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@@H+](C1CCCC1)C2	ZINC000065462769	376224603	/nfs/dbraw/zinc/22/46/03/376224603.db2.gz	DKJVAVNUHLYWSO-IUODEOHRSA-N	2	0	344.481	-0.884	50	0		EBAARP
O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCN2CCCC[C@@H]2C1	ZINC000077536779	376344829	/nfs/dbraw/zinc/34/48/29/376344829.db2.gz	PSCWOAUBUIVMMT-OAHLLOKOSA-N	2	0	347.467	-0.506	50	0		EBAARP
C[C@H](O)C[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C	ZINC000248318869	376847648	/nfs/dbraw/zinc/84/76/48/376847648.db2.gz	PHILVQNZHBVYRU-XAJHFOFHSA-N	2	0	329.485	-0.157	50	0		EBAARP
Cn1c(CN2CC[NH+](C)CC2)nnc1C1CCN(C(=O)CC[NH3+])CC1	ZINC000091848954	218077661	/nfs/dbraw/zinc/07/76/61/218077661.db2.gz	WDBGNHZJANRXKP-UHFFFAOYSA-N	2	0	349.483	-0.383	50	0		EBAARP
O[C@H](Cn1ccnc1-c1cc2n(n1)CC[NH2+]C2)CN1CC[NH2+]CC1	ZINC000072431174	545685037	/nfs/dbraw/zinc/68/50/37/545685037.db2.gz	MKKFJDYCFUOUKM-AWEZNQCLSA-N	2	0	331.424	-0.884	50	0		EBAARP
NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1	ZINC000952865907	803809199	/nfs/dbraw/zinc/80/91/99/803809199.db2.gz	ZBBHJOWZAPQTQV-UONOGXRCSA-N	2	0	326.441	-0.996	50	0		EBAARP
CCN(CC)C(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)CN1CCC[N@H+](C)CC1	ZINC000067956313	376252811	/nfs/dbraw/zinc/25/28/11/376252811.db2.gz	FRZDQVFSHMIRJT-GJZGRUSLSA-N	2	0	339.484	-0.580	50	0		EBAARP
Cn1ccnc1[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)CCN1C	ZINC000253392399	379105962	/nfs/dbraw/zinc/10/59/62/379105962.db2.gz	AKZAHKRARTYSMC-HNNXBMFYSA-N	2	0	334.468	-0.127	50	0		EBAARP
C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@@H+]1C[C@H](O)Cn1cccn1	ZINC000075133032	380236307	/nfs/dbraw/zinc/23/63/07/380236307.db2.gz	MXECFHCUNSEZGH-IKGGRYGDSA-N	2	0	337.468	-0.419	50	0		EBAARP
Cn1c2ccc(CNC(=O)[C@@]34C[NH2+]C[C@@H]3C[N@H+](C)C4)cc2n(C)c1=O	ZINC000065381026	376221503	/nfs/dbraw/zinc/22/15/03/376221503.db2.gz	RYYLBFDNGCFAKI-FZKQIMNGSA-N	2	0	343.431	-0.356	50	0		EBAARP
COCCN1C[C@H](C[NH+]2CCN(c3cc(C)[nH+]c(N)n3)CC2)CC1=O	ZINC000299792813	258098288	/nfs/dbraw/zinc/09/82/88/258098288.db2.gz	HCDIPKFSHDDKKA-AWEZNQCLSA-N	2	0	348.451	-0.016	50	0		EBAARP
C[C@]1(C(=O)NC[C@@H](C[NH3+])NC(=O)[C@@]2(C)CCCC[NH2+]2)CCCC[NH2+]1	ZINC000888096630	582605392	/nfs/dbraw/zinc/60/53/92/582605392.db2.gz	NJNPRQSZIMRUIU-KBRIMQKVSA-N	3	0	339.484	-0.390	50	0		EBAARP
NC(=O)C[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+](CCO)C2)C1	ZINC000952865898	803808822	/nfs/dbraw/zinc/80/88/22/803808822.db2.gz	ZBBHJOWZAPQTQV-KBPBESRZSA-N	2	0	326.441	-0.996	50	0		EBAARP
C[NH+](C)[C@@H]1CCN(C(=O)C(F)(F)C(=O)N2CC[C@@H]([NH+](C)C)C2)C1	ZINC000583651558	419156455	/nfs/dbraw/zinc/15/64/55/419156455.db2.gz	OZPNJOGAFKQQLA-VXGBXAGGSA-N	2	0	332.395	-0.053	50	0		EBAARP
[NH3+]CCNC(=O)N[C@@H]1C2CN3CC1(c1ccccc1)C[N@H+](C2)CC3	ZINC000426555399	650010003	/nfs/dbraw/zinc/01/00/03/650010003.db2.gz	FVMVWHXEXOXNGH-BFHRDPOASA-N	2	0	329.448	-0.188	50	0		EBAARP
C[NH+](C)CCNC(=O)c1cc2n(n1)CCN(C(=O)[C@@H]1CC[NH2+]C1)C2	ZINC000067954326	215257721	/nfs/dbraw/zinc/25/77/21/215257721.db2.gz	HELIXPGWQWPUPS-GFCCVEGCSA-N	2	0	334.424	-0.874	50	0		EBAARP
CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1[nH]nc2c1CN(C)CC2	ZINC000067966345	215261747	/nfs/dbraw/zinc/26/17/47/215261747.db2.gz	PVXYWGKHJYDVJR-RISCZKNCSA-N	2	0	348.451	-0.192	50	0		EBAARP
O=C(c1cn(CCN2CC[NH2+]CC2)nn1)N1CCN2CCCC[C@H]2C1	ZINC000077536785	376345255	/nfs/dbraw/zinc/34/52/55/376345255.db2.gz	PSCWOAUBUIVMMT-HNNXBMFYSA-N	2	0	347.467	-0.506	50	0		EBAARP
C[NH+](C)CCNC(=O)c1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C2)cc1	ZINC000091427245	218003945	/nfs/dbraw/zinc/00/39/45/218003945.db2.gz	SBQYIYCDJGEHJA-CYBMUJFWSA-N	2	0	340.449	-0.382	50	0		EBAARP
[NH3+][C@@H](C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCOCC1	ZINC000262072318	154210666	/nfs/dbraw/zinc/21/06/66/154210666.db2.gz	SMEFKANGEKWSMI-VXGBXAGGSA-N	2	0	338.374	-0.307	50	0		EBAARP
[NH3+][C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCOCC1	ZINC000262072314	154210958	/nfs/dbraw/zinc/21/09/58/154210958.db2.gz	SMEFKANGEKWSMI-NWDGAFQWSA-N	2	0	338.374	-0.307	50	0		EBAARP
Cc1ncc2c(c1CNC(=O)[C@@H]1CCC[N@H+](CC(N)=O)C1)CC[NH2+]C2	ZINC000072470706	563966436	/nfs/dbraw/zinc/96/64/36/563966436.db2.gz	SSNJZZFZJBVAKQ-CYBMUJFWSA-N	2	0	345.447	-0.151	50	0		EBAARP
C[C@]1(C(=O)NC[C@H](C[NH3+])NC(=O)[C@@]2(C)CCCC[NH2+]2)CCCC[NH2+]1	ZINC000888096627	582605345	/nfs/dbraw/zinc/60/53/45/582605345.db2.gz	NJNPRQSZIMRUIU-IAOVAPTHSA-N	3	0	339.484	-0.390	50	0		EBAARP
[NH3+]C[C@@H](CNC(=O)C1([NH3+])CCCCC1)NC(=O)C1([NH3+])CCCCC1	ZINC000888096526	582605449	/nfs/dbraw/zinc/60/54/49/582605449.db2.gz	HFZZBPNEBLRSGI-ZDUSSCGKSA-N	3	0	339.484	-0.131	50	0		EBAARP
C[C@]1(C(=O)NC[C@@H](C[NH3+])NC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1	ZINC000888096532	582605468	/nfs/dbraw/zinc/60/54/68/582605468.db2.gz	HUHMXNIMBHVRMN-COXVUDFISA-N	3	0	339.484	-0.675	50	0		EBAARP
CC[NH+]1CCN(CC(=O)NC[C@H](O)C[NH+]2CCCCCC2)CC1	ZINC000952980004	654514922	/nfs/dbraw/zinc/51/49/22/654514922.db2.gz	WYGORAHOSBKODV-INIZCTEOSA-N	2	0	326.485	-0.023	50	0		EBAARP
CC(C)[NH+]1CCN(C(=O)CCNC(=O)[C@@H]2C[C@H]([NH3+])CN2C)CC1	ZINC000067654365	215176162	/nfs/dbraw/zinc/17/61/62/215176162.db2.gz	CVHANXZJJCLBEE-KBPBESRZSA-N	2	0	325.457	-0.923	50	0		EBAARP
C[NH+](C)[C@H]1CCN(C(=O)C(F)(F)C(=O)N2CC[C@H]([NH+](C)C)C2)C1	ZINC000583651556	419156899	/nfs/dbraw/zinc/15/68/99/419156899.db2.gz	OZPNJOGAFKQQLA-RYUDHWBXSA-N	2	0	332.395	-0.053	50	0		EBAARP
COc1ccc(OC[C@H](O)C[N@H+](C)CCOC[C@@H](O)C[NH3+])cc1	ZINC000022589965	649934454	/nfs/dbraw/zinc/93/44/54/649934454.db2.gz	QXAWOOQXONKQHZ-UONOGXRCSA-N	2	0	328.409	-0.297	50	0		EBAARP
Cc1nn2cc(CCNC(=O)[C@@]34C[NH2+]C[C@@H]3C[N@@H+](C)C4)nc2s1	ZINC000065369965	376222299	/nfs/dbraw/zinc/22/22/99/376222299.db2.gz	RQJXOJVHOHEJRU-IAQYHMDHSA-N	2	0	334.449	-0.091	50	0		EBAARP
C[N@@H+]1C[C@H]2C[NH2+]C[C@@]2(C(=O)NCc2nc(-c3ncccn3)no2)C1	ZINC000096130433	376489759	/nfs/dbraw/zinc/48/97/59/376489759.db2.gz	HLRLSXIFNHVFPN-MEBBXXQBSA-N	2	0	329.364	-0.706	50	0		EBAARP
C[NH+](C)[C@@H]1CCN(C(=O)C(F)(F)C(=O)N2CC[C@H]([NH+](C)C)C2)C1	ZINC000583651557	419156251	/nfs/dbraw/zinc/15/62/51/419156251.db2.gz	OZPNJOGAFKQQLA-TXEJJXNPSA-N	2	0	332.395	-0.053	50	0		EBAARP
CS(=O)(=O)N(CCC[NH+]1CCCC1)CCC(=O)N1CC[NH2+]CC1	ZINC000045945172	419226859	/nfs/dbraw/zinc/22/68/59/419226859.db2.gz	JQCXFVBNMPQZQH-UHFFFAOYSA-N	2	0	346.497	-0.444	50	0		EBAARP
COC[C@H](C)NC(=O)C1CC[NH+](CC(=O)N2CC[NH2+]CC2)CC1	ZINC000670474361	546012097	/nfs/dbraw/zinc/01/20/97/546012097.db2.gz	COXWDPMGXVNBKR-ZDUSSCGKSA-N	2	0	326.441	-0.719	50	0		EBAARP
C[C@@]1(C(=O)N[C@H](C[NH3+])CNC(=O)[C@@]2(C)CCC[NH2+]C2)CCC[NH2+]C1	ZINC000888096535	582605424	/nfs/dbraw/zinc/60/54/24/582605424.db2.gz	HUHMXNIMBHVRMN-XOKHGSTOSA-N	3	0	339.484	-0.675	50	0		EBAARP
O=c1[nH]c(CC2CC2)nc2c1CCN(C[C@]1(O)C[NH2+]CCOC1)C2	ZINC000077539203	376345480	/nfs/dbraw/zinc/34/54/80/376345480.db2.gz	KJXQENOGHYVNFV-QGZVFWFLSA-N	2	0	334.420	-0.156	50	0		EBAARP
C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC1CC[NH+](CCO)CC1	ZINC000071871558	380007925	/nfs/dbraw/zinc/00/79/25/380007925.db2.gz	ZTPQPAJFPSEDRE-UHFFFAOYSA-N	2	0	326.441	-0.047	50	0		EBAARP
CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1	ZINC000229556261	279259402	/nfs/dbraw/zinc/25/94/02/279259402.db2.gz	OXFYMHKGORJNHZ-LSDHHAIUSA-N	2	0	326.485	-0.026	50	0		EBAARP
[NH3+]C[C@H](CNC(=O)C1([NH3+])CCCCC1)NC(=O)C1([NH3+])CCCCC1	ZINC000888096525	582605323	/nfs/dbraw/zinc/60/53/23/582605323.db2.gz	HFZZBPNEBLRSGI-CYBMUJFWSA-N	3	0	339.484	-0.131	50	0		EBAARP
Nc1nc2c(c(N3CC[NH+](CCn4ccnc4)CC3)n1)CC[NH2+]CC2	ZINC000072473729	216250522	/nfs/dbraw/zinc/25/05/22/216250522.db2.gz	UMOGQSHCMKMOLA-UHFFFAOYSA-N	2	0	342.451	-0.234	50	0		EBAARP
COc1ccc(OC[C@@H](O)C[N@H+](C)CCOC[C@H](O)C[NH3+])cc1	ZINC000043204102	803744608	/nfs/dbraw/zinc/74/46/08/803744608.db2.gz	QXAWOOQXONKQHZ-KGLIPLIRSA-N	2	0	328.409	-0.297	50	0		EBAARP