smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNC(=O)CN1CCC(NC(NC[C@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1	ZINC000261635780	657842847	/nfs/dbraw/zinc/84/28/47/657842847.db2.gz	DFWUBQJQDQPAFF-HNNXBMFYSA-N	2	0	351.499	-1.638	20	30		FAEDRP
CNC(=O)CN1CCC(NC(NC[C@@H]2C[NH+]3CCN2CC3)=[NH+]C)CC1	ZINC000261635781	657843020	/nfs/dbraw/zinc/84/30/20/657843020.db2.gz	DFWUBQJQDQPAFF-OAHLLOKOSA-N	2	0	351.499	-1.638	20	30		FAEDRP
C[NH+]=C(NCCN1CCC1)N1CCN(CC(=O)N2CCOCC2)CC1	ZINC000261662826	657843849	/nfs/dbraw/zinc/84/38/49/657843849.db2.gz	BIFGGQMBACVDLL-UHFFFAOYSA-N	2	0	352.483	-1.256	20	30		FAEDRP
C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261723717	482965487	/nfs/dbraw/zinc/96/54/87/482965487.db2.gz	KYRBLEMQQOMEFS-AWEZNQCLSA-N	2	0	362.482	-1.110	20	30		FAEDRP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261723724	482965118	/nfs/dbraw/zinc/96/51/18/482965118.db2.gz	KYRBLEMQQOMEFS-CQSZACIVSA-N	2	0	362.482	-1.110	20	30		FAEDRP
C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261844768	482965581	/nfs/dbraw/zinc/96/55/81/482965581.db2.gz	WTKJUESJJJIMHM-AWEZNQCLSA-N	2	0	360.466	-1.356	20	30		FAEDRP
C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCN(c2cnn(C)c2)C(=O)C1	ZINC000261844771	482964498	/nfs/dbraw/zinc/96/44/98/482964498.db2.gz	WTKJUESJJJIMHM-CQSZACIVSA-N	2	0	360.466	-1.356	20	30		FAEDRP
CN(C)C(=O)CNC(NC[C@H]1C[NH+]2CCN1CC2)=[NH+]C1CCOCC1	ZINC000261879136	657854568	/nfs/dbraw/zinc/85/45/68/657854568.db2.gz	TZFXCSPMXOMFAF-HNNXBMFYSA-N	2	0	352.483	-1.211	20	30		FAEDRP
CN(C)C(=O)CNC(NC[C@@H]1C[NH+]2CCN1CC2)=[NH+]C1CCOCC1	ZINC000261879137	657854275	/nfs/dbraw/zinc/85/42/75/657854275.db2.gz	TZFXCSPMXOMFAF-OAHLLOKOSA-N	2	0	352.483	-1.211	20	30		FAEDRP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CC1	ZINC000576123740	483669744	/nfs/dbraw/zinc/66/97/44/483669744.db2.gz	ZWPQFVKPQVATER-CABCVRRESA-N	2	0	363.462	-1.087	20	30		FAEDRP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CC1	ZINC000576123741	483669728	/nfs/dbraw/zinc/66/97/28/483669728.db2.gz	ZWPQFVKPQVATER-GJZGRUSLSA-N	2	0	363.462	-1.087	20	30		FAEDRP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CC1	ZINC000576123742	483669617	/nfs/dbraw/zinc/66/96/17/483669617.db2.gz	ZWPQFVKPQVATER-HUUCEWRRSA-N	2	0	363.462	-1.087	20	30		FAEDRP
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CC1	ZINC000576123743	483669558	/nfs/dbraw/zinc/66/95/58/483669558.db2.gz	ZWPQFVKPQVATER-LSDHHAIUSA-N	2	0	363.462	-1.087	20	30		FAEDRP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CCC#N)CC1	ZINC000601448711	482785298	/nfs/dbraw/zinc/78/52/98/482785298.db2.gz	OQEISSMQGPGBNR-UHFFFAOYSA-N	2	0	352.483	-1.004	20	30		FAEDRP
C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(CC[NH+](C)C)C(=O)C2)CC1	ZINC000653392605	483095235	/nfs/dbraw/zinc/09/52/35/483095235.db2.gz	HEMZVQLYGIPQAM-UHFFFAOYSA-N	2	0	365.478	-1.015	20	30		FAEDRP
CCN1CCO[C@H](C(=O)NCC#CCNC(=O)[C@@H]2CN(CC)CCO2)C1	ZINC000680340085	483797859	/nfs/dbraw/zinc/79/78/59/483797859.db2.gz	UYXUXOFNDJSBQA-HOTGVXAUSA-N	2	0	366.462	-1.336	20	30		FAEDRP
CCN1CCO[C@@H](C(=O)NCC#CCNC(=O)[C@H]2CN(CC)CCO2)C1	ZINC000680340086	483797841	/nfs/dbraw/zinc/79/78/41/483797841.db2.gz	UYXUXOFNDJSBQA-HZPDHXFCSA-N	2	0	366.462	-1.336	20	30		FAEDRP
CCN1CCO[C@@H](C(=O)NCC#CCNC(=O)[C@@H]2CN(CC)CCO2)C1	ZINC000680340087	483797831	/nfs/dbraw/zinc/79/78/31/483797831.db2.gz	UYXUXOFNDJSBQA-IYBDPMFKSA-N	2	0	366.462	-1.336	20	30		FAEDRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCO[C@@H](C#N)C2)C[C@H]1C[NH+](C)C	ZINC001119015534	792802917	/nfs/dbraw/zinc/80/29/17/792802917.db2.gz	OPGDJHWQZKWBQD-KFWWJZLASA-N	2	0	351.451	-1.065	20	30		FAEDRP
C[NH+](C)C[C@@H]1CN(C(=O)C(=O)N2CCO[C@H](C#N)C2)C[C@H]1C[NH+](C)C	ZINC001119015536	792802635	/nfs/dbraw/zinc/80/26/35/792802635.db2.gz	OPGDJHWQZKWBQD-RBSFLKMASA-N	2	0	351.451	-1.065	20	30		FAEDRP
CNC(=O)[C@H](CCCC[NH3+])NC(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1	ZINC001157337897	792874525	/nfs/dbraw/zinc/87/45/25/792874525.db2.gz	YIZTYFMBZJHOLA-VWYCJHECSA-N	2	0	350.441	-1.947	20	30		FAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1	ZINC001158118615	792879839	/nfs/dbraw/zinc/87/98/39/792879839.db2.gz	BYASSOZNEYSHPA-JRPNMDOOSA-N	2	0	372.447	-2.369	20	30		FAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1	ZINC001158118616	792879949	/nfs/dbraw/zinc/87/99/49/792879949.db2.gz	BYASSOZNEYSHPA-ZETOZRRWSA-N	2	0	372.447	-2.369	20	30		FAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1	ZINC001158546773	792883616	/nfs/dbraw/zinc/88/36/16/792883616.db2.gz	LWDOLPIABLOPEQ-IHWVXMPCSA-N	2	0	359.448	-1.328	20	30		FAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1	ZINC001158546774	792883844	/nfs/dbraw/zinc/88/38/44/792883844.db2.gz	LWDOLPIABLOPEQ-XLFUENPSSA-N	2	0	359.448	-1.328	20	30		FAEDRP
C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1	ZINC001160862288	792907239	/nfs/dbraw/zinc/90/72/39/792907239.db2.gz	LJXBVZPSJJULCM-CHWSQXEVSA-N	2	0	355.439	-1.187	20	30		FAEDRP
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1	ZINC001161158170	792910005	/nfs/dbraw/zinc/91/00/05/792910005.db2.gz	QJMHDFGZXBGGKA-MNOVXSKESA-N	2	0	351.425	-1.566	20	30		FAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)C1	ZINC001161380280	792911924	/nfs/dbraw/zinc/91/19/24/792911924.db2.gz	STPRWXVYAJSGLO-MCIONIFRSA-N	2	0	360.480	-1.283	20	30		FAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)C1	ZINC001161380281	792911837	/nfs/dbraw/zinc/91/18/37/792911837.db2.gz	STPRWXVYAJSGLO-MJBXVCDLSA-N	2	0	360.480	-1.283	20	30		FAEDRP
C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@@H]1CCC[NH2+]C1	ZINC001161449548	792913178	/nfs/dbraw/zinc/91/31/78/792913178.db2.gz	NWQHEWUASVZACU-MCIONIFRSA-N	3	0	362.496	-1.165	20	30		FAEDRP
C[NH+](C)CCN(C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)C[NH2+]1)[C@H]1CCC[NH2+]C1	ZINC001161449549	792913266	/nfs/dbraw/zinc/91/32/66/792913266.db2.gz	NWQHEWUASVZACU-MJBXVCDLSA-N	3	0	362.496	-1.165	20	30		FAEDRP
C[C@H]([NH3+])C(=O)N[C@@H](CC(N)=O)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2	ZINC001218553588	793176265	/nfs/dbraw/zinc/17/62/65/793176265.db2.gz	RDVCILBNJVVXEC-XVKPBYJWSA-N	2	0	364.431	-1.089	20	30		FAEDRP
C#CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@@H]1O	ZINC001218776548	793186895	/nfs/dbraw/zinc/18/68/95/793186895.db2.gz	MAXOJBYOTZNHIY-DCAQKATOSA-N	2	0	352.826	-1.019	20	30		FAEDRP
C#CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@@H]1CC[NH2+]C[C@H]1O	ZINC001218776549	793186854	/nfs/dbraw/zinc/18/68/54/793186854.db2.gz	MAXOJBYOTZNHIY-GARJFASQSA-N	2	0	352.826	-1.019	20	30		FAEDRP
C#CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@H]1O	ZINC001218776550	793187060	/nfs/dbraw/zinc/18/70/60/793187060.db2.gz	MAXOJBYOTZNHIY-OUAUKWLOSA-N	2	0	352.826	-1.019	20	30		FAEDRP
C#CC[C@H]([NH3+])C(=O)n1cnc(N)c(Cl)c1=NC[C@H]1CC[NH2+]C[C@@H]1O	ZINC001218776551	793186962	/nfs/dbraw/zinc/18/69/62/793186962.db2.gz	MAXOJBYOTZNHIY-VWYCJHECSA-N	2	0	352.826	-1.019	20	30		FAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCc2nnc3n2CCC[NH2+]C3)C1	ZINC001219749158	793601651	/nfs/dbraw/zinc/60/16/51/793601651.db2.gz	IRWNUDXYIOMWDH-ZJUUUORDSA-N	2	0	358.424	-1.906	20	30		FAEDRP
CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)C1	ZINC001220313445	793693755	/nfs/dbraw/zinc/69/37/55/793693755.db2.gz	QGOBSHIHYXGRIJ-MNOVXSKESA-N	2	0	357.436	-1.301	20	30		FAEDRP
CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)C[NH2+]2)CC[NH2+]C1	ZINC001220522828	793726886	/nfs/dbraw/zinc/72/68/86/793726886.db2.gz	GDFZOOVDAUVRTJ-SKDRFNHKSA-N	2	0	361.420	-1.380	20	30		FAEDRP
C[C@@H]1[C@H](C(=O)N2CCC(O)(C[NH2+]CC(=O)NCC#N)CC2)CC[N@@H+]1C	ZINC001281613033	794134694	/nfs/dbraw/zinc/13/46/94/794134694.db2.gz	IPGWGSBKJDWWKY-ZIAGYGMSSA-N	2	0	351.451	-1.091	20	30		FAEDRP