smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=[NH2+])NCCCCNC(=O)/C(Cc1cc(Br)c(OCCC[NH3+])c(Br)c1)=N/O	ZINC000013379866	561711674	/nfs/dbraw/zinc/71/16/74/561711674.db2.gz	YAHZGPUMPHDGAC-AFUMVMLFSA-N	2	2	522.242	1.482	1	30		KDEFLP
Nc1[nH]cc(CCNC(=O)/C(Cc2cc(Br)c(OCCC[NH3+])c(Br)c2)=N\O)[nH+]1	ZINC000013684081	561724650	/nfs/dbraw/zinc/72/46/50/561724650.db2.gz	VZDKEGKTDBWXJY-QFEZKATASA-N	2	2	518.210	1.976	1	30		KDEFLP
Nc1[nH]c(CCNC(=O)C(Cc2cc(Br)c(OCCC[NH3+])c(Br)c2)=NO)c[nH+]1	ZINC000013684081	561724648	/nfs/dbraw/zinc/72/46/48/561724648.db2.gz	VZDKEGKTDBWXJY-QFEZKATASA-N	2	2	518.210	1.976	1	30		KDEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH2+]C[C@@H]([NH3+])CS)C(C)(C)C	ZINC000022938249	561760935	/nfs/dbraw/zinc/76/09/35/561760935.db2.gz	VSJRZQRFGNBQRA-IVAOSVALSA-N	2	2	524.753	1.612	1	30		KDEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccc(OC)c(OC)c2)C[N@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000026187998	561772978	/nfs/dbraw/zinc/77/29/78/561772978.db2.gz	QGKGYSHYBCQWQO-ZSKASFOJSA-N	2	2	527.709	1.750	1	30		KDEFLP
COC(=O)[C@H](CCSC)NC(=O)[C@@H]1C[C@H](Oc2ccc(OC)c(OC)c2)C[N@@H+]1C/C=C/[C@@H]([NH3+])CS	ZINC000026187998	561772976	/nfs/dbraw/zinc/77/29/76/561772976.db2.gz	QGKGYSHYBCQWQO-ZSKASFOJSA-N	2	2	527.709	1.750	1	30		KDEFLP
COC(=O)[C@@H](CCSC)NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]([NH2+]C[C@@H]([NH3+])CS)C(C)(C)C	ZINC000026388435	561785072	/nfs/dbraw/zinc/78/50/72/561785072.db2.gz	VSJRZQRFGNBQRA-MXEMCNAFSA-N	2	2	524.753	1.612	1	30		KDEFLP
CCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]C[C@H]([NH3+])CS)[C@@H](C)CC	ZINC000027847240	561885666	/nfs/dbraw/zinc/88/56/66/561885666.db2.gz	SMZHIQWDNGIFPY-ZONLJJFTSA-N	2	2	526.769	1.776	1	30		KDEFLP
CCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]C[C@@H]([NH3+])CS)[C@H](C)CC	ZINC000027847247	561885716	/nfs/dbraw/zinc/88/57/16/561885716.db2.gz	SMZHIQWDNGIFPY-ICGSVKGVSA-N	2	2	526.769	1.776	1	30		KDEFLP
CCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]C[C@H]([NH3+])CS)[C@H](C)CC	ZINC000027847255	561885721	/nfs/dbraw/zinc/88/57/21/561885721.db2.gz	SMZHIQWDNGIFPY-AMGKQAFBSA-N	2	2	526.769	1.776	1	30		KDEFLP
Cn1cnc(S(=O)(=O)N(CC2CC[NH2+]CC2)[C@H]2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C2)c1	ZINC000028815240	561962195	/nfs/dbraw/zinc/96/21/95/561962195.db2.gz	IELPNZUVFRLQRQ-QFIPXVFZSA-N	2	2	508.652	1.647	1	30		KDEFLP
Cn1cnc(S(=O)(=O)N(CC2CC[NH2+]CC2)[C@@H]2Cc3cc(C#N)ccc3N(Cc3c[nH+]cn3C)C2)c1	ZINC000028815242	561962245	/nfs/dbraw/zinc/96/22/45/561962245.db2.gz	IELPNZUVFRLQRQ-JOCHJYFZSA-N	2	2	508.652	1.647	1	30		KDEFLP
COC[C@H]1OC(=O)C(C[NH2+]CCC[NH+](C)C)=C2C(=O)C(=O)C3=C([C@H](OC(C)=O)C[C@@]4(C)[C@H]3CC[C@@H]4O)[C@]21C	ZINC000029134669	562004231	/nfs/dbraw/zinc/00/42/31/562004231.db2.gz	JUZGWMNNWUFWNL-BNNBOEQISA-N	2	2	532.634	1.794	1	30		KDEFLP
CCOC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]([NH2+]C[C@@H]([NH3+])CS)[C@@H](C)CC	ZINC000038913949	562072528	/nfs/dbraw/zinc/07/25/28/562072528.db2.gz	SMZHIQWDNGIFPY-KVEDYDLGSA-N	2	2	526.769	1.776	1	30		KDEFLP
C[NH+](C)CCOc1cc2[nH+]c(N3CCN(C4=CC(=O)C5=CCC=C[C@H]5C4=O)CC3)nc(N)c2cc1OCC[NH+](C)C	ZINC000043077165	562645724	/nfs/dbraw/zinc/64/57/24/562645724.db2.gz	KUWINLNPZYKQDK-LEWJYISDSA-N	3	2	561.687	1.609	1	30		KDEFLP
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@H](CCCC[NH3+])N(C(=O)c1ccccc1)C(=O)[C@H](CCCC[NH3+])NC(=O)c1ccccc1	ZINC000044388084	562656258	/nfs/dbraw/zinc/65/62/58/562656258.db2.gz	ZFLYYXFZXJIQMC-QKDODKLFSA-N	3	2	622.771	1.028	1	30		KDEFLP
COCC[NH2+]CC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CC[NH+](C[C@@H]4CCCO4)CC3)O2)nn1	ZINC000044431592	562657872	/nfs/dbraw/zinc/65/78/72/562657872.db2.gz	XQRGGJUZIFXJHR-AAGWSKCTSA-N	2	2	516.687	1.324	1	30		KDEFLP
COCC[NH2+]CC#Cc1cn([C@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)N3CC[NH+](C[C@H]4CCCO4)CC3)O2)nn1	ZINC000044431595	562657891	/nfs/dbraw/zinc/65/78/91/562657891.db2.gz	XQRGGJUZIFXJHR-BWIKSPBFSA-N	2	2	516.687	1.324	1	30		KDEFLP
C[NH+](C)CCC[NH+]1CCN(/C=[NH+]/c2ccc3nc(N4CC[NH+](C)CC4)c(N4CC[NH+](C)CC4)nc3c2)CC1	ZINC000053257324	562696910	/nfs/dbraw/zinc/69/69/10/562696910.db2.gz	YEHNVAQTPAQUSV-BYNJWEBRSA-N	5	2	522.746	1.363	1	30		KDEFLP
C[NH+](C)CCCN1CCN(/C=[NH+]/c2ccc3nc(N4CC[NH+](C)CC4)c(N4CC[NH+](C)CC4)nc3c2)CC1	ZINC000053257324	562696909	/nfs/dbraw/zinc/69/69/09/562696909.db2.gz	YEHNVAQTPAQUSV-BYNJWEBRSA-N	4	2	522.746	1.363	1	30		KDEFLP
NC(N)=NS(=O)(=O)c1ccc(Nc2c3ccccc3[nH+]c3c(C(=O)N4CC[NH+](CCO)CC4)cccc23)cc1	ZINC000073369753	562738402	/nfs/dbraw/zinc/73/84/02/562738402.db2.gz	AALVIHLXBXFNCU-UHFFFAOYSA-N	2	2	547.641	1.844	1	30		KDEFLP
C/C(=N\[NH+]=C(N)N)c1c(C(=O)OCCCCCCOC(=O)c2nc3sccn3c2/C(C)=N/[NH+]=C(N)N)nc2sccn21	ZINC000073390512	562738644	/nfs/dbraw/zinc/73/86/44/562738644.db2.gz	YSZSFCQJMRFQNE-GCFMLEDASA-N	2	2	614.718	1.674	1	30		KDEFLP
Cc1cc(=O)c2c(O)c3c(cc2o1)O[C@@](C)(C1CC[NH2+]CC1)[C@H](OC(=O)[C@]1(C)O[C@@H]1CCCNC(N)=[NH2+])C3	ZINC000085594089	560064520	/nfs/dbraw/zinc/06/45/20/560064520.db2.gz	WAQFDWXUKRQIOX-VFOOCMBXSA-N	2	2	528.606	1.623	1	30	biogenic,in-vitro	KDEFLP
C[NH2+]CC[C@]1(C(=O)O[C@@H]2Cc3c(O)c4c(cc3OC2(C)C)oc(C)cc4=O)O[C@@H]1CCCNC(N)=[NH2+]	ZINC000085594091	560064600	/nfs/dbraw/zinc/06/46/00/560064600.db2.gz	BIXKKYDXBQWIBU-RRQZXNHTSA-N	2	2	502.568	1.233	1	30	biogenic,in-vitro	KDEFLP
C[NH2+]CC[C@@]1(C(=O)O[C@@H]2Cc3c(O)c4c(cc3OC2(C)C)oc(C)cc4=O)O[C@@H]1CCCNC(N)=[NH2+]	ZINC000085594092	560064663	/nfs/dbraw/zinc/06/46/63/560064663.db2.gz	BIXKKYDXBQWIBU-MPCDZSKCSA-N	2	2	502.568	1.233	1	30	biogenic,in-vitro	KDEFLP
CC[C@]1(CNC(=[NH2+])NC)C#CC[C@@H](Cc2cc(O[C@@H]3CC[NH2+][C@H](C[NH2+]C)C3)c(O)cc2CO)[C@@H](OC(C)=O)C[C@@H](O)CC1	ZINC000085627989	565160711	/nfs/dbraw/zinc/16/07/11/565160711.db2.gz	VEHDUEULMRYDGM-CMVFZVRZSA-N	3	2	601.789	1.772	1	30	biogenic,in-vitro	KDEFLP
NC(=NC(=O)CCCCCCCCC(=O)N=C(N)NCCCc1c[nH]c[nH+]1)NCCCc1c[nH]c[nH+]1	ZINC000095556120	562761725	/nfs/dbraw/zinc/76/17/25/562761725.db2.gz	JQLNALKYFVFHLP-UHFFFAOYSA-N	2	2	500.652	1.681	1	30		KDEFLP
CCCCCCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000095606666	562782297	/nfs/dbraw/zinc/78/22/97/562782297.db2.gz	HEAWAGYKTOLXON-HVRNLMOBSA-N	2	2	769.952	1.758	1	30		KDEFLP
CCCCCCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000095606666	562782296	/nfs/dbraw/zinc/78/22/96/562782296.db2.gz	HEAWAGYKTOLXON-HVRNLMOBSA-N	2	2	769.952	1.758	1	30		KDEFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000095610606	562784509	/nfs/dbraw/zinc/78/45/09/562784509.db2.gz	UBLNHOLZZIWLTH-KMSCUOMXSA-N	2	2	761.888	1.084	1	30		KDEFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000095610606	562784508	/nfs/dbraw/zinc/78/45/08/562784508.db2.gz	UBLNHOLZZIWLTH-KMSCUOMXSA-N	2	2	761.888	1.084	1	30		KDEFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000095613741	562786456	/nfs/dbraw/zinc/78/64/56/562786456.db2.gz	UBLNHOLZZIWLTH-BBACVFHCSA-N	2	2	761.888	1.084	1	30		KDEFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O	ZINC000095613741	562786455	/nfs/dbraw/zinc/78/64/55/562786455.db2.gz	UBLNHOLZZIWLTH-BBACVFHCSA-N	2	2	761.888	1.084	1	30		KDEFLP
CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(c1ccccc1)c1ccccc1	ZINC000095614646	562786789	/nfs/dbraw/zinc/78/67/89/562786789.db2.gz	JDVCDJBHKUIJSL-TUCRWICHSA-N	2	2	761.888	1.006	1	30		KDEFLP
CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N[C@H](C(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)C(c1ccccc1)c1ccccc1	ZINC000095614646	562786788	/nfs/dbraw/zinc/78/67/88/562786788.db2.gz	JDVCDJBHKUIJSL-TUCRWICHSA-N	2	2	761.888	1.006	1	30		KDEFLP
[NH3+][C@@H](Cc1ccc(O)cc1)C(=O)OC[C@H]1S[C@@H](CC=O)S[C@H]1COC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000096903757	562798018	/nfs/dbraw/zinc/79/80/18/562798018.db2.gz	BYKHVESQHUVEPF-FADBTOOJSA-N	2	2	534.656	1.756	1	30		KDEFLP
C[NH+](C)CCOc1cc2[nH+]c(N3CCN(C4=CC(=O)C5=CCC=C[C@@H]5C4=O)CC3)nc(N)c2cc1OCC[NH+](C)C	ZINC000100751994	562807299	/nfs/dbraw/zinc/80/72/99/562807299.db2.gz	KUWINLNPZYKQDK-RTWAWAEBSA-N	3	2	561.687	1.609	1	30		KDEFLP
C[NH+](C)CCOc1cc2[nH+]c(N3CCN(C4=CC(=O)C5=CCC=C[C@@H]5C4=O)CC3)nc(N)c2cc1OCC[NH+](C)C	ZINC000100751995	562807306	/nfs/dbraw/zinc/80/73/06/562807306.db2.gz	KUWINLNPZYKQDK-SFTDATJTSA-N	3	2	561.687	1.609	1	30		KDEFLP
C[NH+](C)CCOc1cc2[nH+]c(N3CCN(C4=CC(=O)C5=CCC=C[C@H]5C4=O)CC3)nc(N)c2cc1OCC[NH+](C)C	ZINC000100751996	562807324	/nfs/dbraw/zinc/80/73/24/562807324.db2.gz	KUWINLNPZYKQDK-NHCUHLMSSA-N	3	2	561.687	1.609	1	30		KDEFLP
Nc1[nH]cc(CCNC(=O)/C(Cc2cc(Br)c(OCCC[NH3+])c(Br)c2)=N/O)[nH+]1	ZINC000100835190	562808151	/nfs/dbraw/zinc/80/81/51/562808151.db2.gz	VZDKEGKTDBWXJY-AFUMVMLFSA-N	2	2	518.210	1.976	1	30		KDEFLP
Nc1[nH]c(CCNC(=O)C(Cc2cc(Br)c(OCCC[NH3+])c(Br)c2)=NO)c[nH+]1	ZINC000100835190	562808150	/nfs/dbraw/zinc/80/81/50/562808150.db2.gz	VZDKEGKTDBWXJY-AFUMVMLFSA-N	2	2	518.210	1.976	1	30		KDEFLP
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc(C[NH+]4CCN(c5cc[nH+]cc5)CC4)nc3)NC(=O)NC1=O)C2	ZINC000143350447	562834939	/nfs/dbraw/zinc/83/49/39/562834939.db2.gz	OLTZXHFVBSAVFE-SSEXGKCCSA-N	2	2	569.597	1.532	1	30		KDEFLP
COc1ccc2c(c1)/C(=N\OC[C@H](O)C[NH+](C)C)c1c-2c(N2CC[NH+](C[C@H](O)C[NH+](C)C)CC2)nc2ccccc12	ZINC000473121953	562899479	/nfs/dbraw/zinc/89/94/79/562899479.db2.gz	IMGYEMUXTJCTPS-DGHGYUKTSA-N	3	2	562.715	1.960	1	30		KDEFLP
COc1ccc2c(c1)/C(=N\OC[C@H](O)C[NH+](C)C)c1c-2c(N2CC[NH+](C[C@@H](O)C[NH+](C)C)CC2)nc2ccccc12	ZINC000473121968	562899465	/nfs/dbraw/zinc/89/94/65/562899465.db2.gz	IMGYEMUXTJCTPS-MLNLVARZSA-N	3	2	562.715	1.960	1	30		KDEFLP
COc1ccc2c(c1)/C(=N\OC[C@@H](O)C[NH+](C)C)c1c-2c(N2CC[NH+](C[C@@H](O)C[NH+](C)C)CC2)nc2ccccc12	ZINC000473121970	562899472	/nfs/dbraw/zinc/89/94/72/562899472.db2.gz	IMGYEMUXTJCTPS-RTZJZXGTSA-N	3	2	562.715	1.960	1	30		KDEFLP
COc1ccc2c(c1)/C(=N\OC[C@@H](O)C[NH+](C)C)c1c-2c(N2CC[NH+](C[C@H](O)C[NH+](C)C)CC2)nc2ccccc12	ZINC000473121974	562899467	/nfs/dbraw/zinc/89/94/67/562899467.db2.gz	IMGYEMUXTJCTPS-ZXUAQDKJSA-N	3	2	562.715	1.960	1	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)n3cc([C@@H]([NH3+])[C@H](C)CC)nn3)CC2)nc(N2CCOCC2)[nH+]1	ZINC000072111866	562721964	/nfs/dbraw/zinc/72/19/64/562721964.db2.gz	VKEODQMASKOYPB-DUQIMVFOSA-N	2	2	735.891	1.279	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)n3cc([C@@H]([NH3+])[C@H](C)CC)nn3)CC2)[nH+]1	ZINC000072111866	562721963	/nfs/dbraw/zinc/72/19/63/562721963.db2.gz	VKEODQMASKOYPB-DUQIMVFOSA-N	2	2	735.891	1.279	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)n3cc([C@@H]([NH3+])[C@@H](C)CC)nn3)CC2)nc(N2CCOCC2)[nH+]1	ZINC000072111867	562721960	/nfs/dbraw/zinc/72/19/60/562721960.db2.gz	VKEODQMASKOYPB-GFLPGQDNSA-N	2	2	735.891	1.279	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)n3cc([C@@H]([NH3+])[C@@H](C)CC)nn3)CC2)[nH+]1	ZINC000072111867	562721959	/nfs/dbraw/zinc/72/19/59/562721959.db2.gz	VKEODQMASKOYPB-GFLPGQDNSA-N	2	2	735.891	1.279	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)n3cc([C@@H]([NH3+])CC(C)C)nn3)CC2)nc(N2CCOCC2)[nH+]1	ZINC000072113946	562722498	/nfs/dbraw/zinc/72/24/98/562722498.db2.gz	LYLIJPWGFFUCCL-CDZUIXILSA-N	2	2	735.891	1.279	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](Cc3ccc(O)cc3)n3cc([C@@H]([NH3+])CC(C)C)nn3)CC2)[nH+]1	ZINC000072113946	562722497	/nfs/dbraw/zinc/72/24/97/562722497.db2.gz	LYLIJPWGFFUCCL-CDZUIXILSA-N	2	2	735.891	1.279	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc([C@@H]([NH3+])CC(C)C)nn3)CC2)nc(N2CCOCC2)[nH+]1	ZINC000072127014	562725565	/nfs/dbraw/zinc/72/55/65/562725565.db2.gz	IQWSNHCVEMYTCJ-YCVJPRETSA-N	2	2	685.875	1.377	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc([C@@H]([NH3+])CC(C)C)nn3)CC2)[nH+]1	ZINC000072127014	562725564	/nfs/dbraw/zinc/72/55/64/562725564.db2.gz	IQWSNHCVEMYTCJ-YCVJPRETSA-N	2	2	685.875	1.377	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc([C@@H]([NH3+])Cc4ccc(O)cc4)nn3)CC2)nc(N2CCOCC2)[nH+]1	ZINC000072132853	562726966	/nfs/dbraw/zinc/72/69/66/562726966.db2.gz	LJVNJDYJKFIWGH-BOAXMXEYSA-N	2	2	735.891	1.279	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H]([C@@H](C)CC)n3cc([C@@H]([NH3+])Cc4ccc(O)cc4)nn3)CC2)[nH+]1	ZINC000072132853	562726965	/nfs/dbraw/zinc/72/69/65/562726965.db2.gz	LJVNJDYJKFIWGH-BOAXMXEYSA-N	2	2	735.891	1.279	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H]([NH3+])Cc4ccc(O)cc4)nn3)CC2)nc(N2CCOCC2)[nH+]1	ZINC000095544246	562757665	/nfs/dbraw/zinc/75/76/65/562757665.db2.gz	DRECUWJFNMJBMF-UNVMMQEESA-N	2	2	808.945	1.957	3	30		KDEFLP
C#CCOCCOCCOCCNc1nc(N2CCOCC2)nc(N2CCN(C(=O)[C@H](Cc3cc4ccccc4[nH]3)n3cc([C@@H]([NH3+])Cc4ccc(O)cc4)nn3)CC2)[nH+]1	ZINC000095544246	562757664	/nfs/dbraw/zinc/75/76/64/562757664.db2.gz	DRECUWJFNMJBMF-UNVMMQEESA-N	2	2	808.945	1.957	3	30		KDEFLP