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]2CN3CCN2CC3)=[NH+]C)CC1	ZINC000261635780	657842866	/nfs/dbraw/zinc/84/28/66/657842866.db2.gz	DFWUBQJQDQPAFF-HNNXBMFYSA-N	1	3	351.499	-1.638	20	30		FAEDHO
CNC(=O)CN1CCC(NC(NC[C@@H]2CN3CCN2CC3)=[NH+]C)CC1	ZINC000261635781	657843030	/nfs/dbraw/zinc/84/30/30/657843030.db2.gz	DFWUBQJQDQPAFF-OAHLLOKOSA-N	1	3	351.499	-1.638	20	30		FAEDHO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1	ZINC000576123740	483669746	/nfs/dbraw/zinc/66/97/46/483669746.db2.gz	ZWPQFVKPQVATER-CABCVRRESA-N	1	3	363.462	-1.087	20	30		FAEDHO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1	ZINC000576123741	483669732	/nfs/dbraw/zinc/66/97/32/483669732.db2.gz	ZWPQFVKPQVATER-GJZGRUSLSA-N	1	3	363.462	-1.087	20	30		FAEDHO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1	ZINC000576123742	483669619	/nfs/dbraw/zinc/66/96/19/483669619.db2.gz	ZWPQFVKPQVATER-HUUCEWRRSA-N	1	3	363.462	-1.087	20	30		FAEDHO
C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1	ZINC000576123743	483669560	/nfs/dbraw/zinc/66/95/60/483669560.db2.gz	ZWPQFVKPQVATER-LSDHHAIUSA-N	1	3	363.462	-1.087	20	30		FAEDHO
CN(C)CCN(CC[NH+](C)C)C(=O)C(=O)N1CCN(CCC#N)CC1	ZINC000601448711	482785309	/nfs/dbraw/zinc/78/53/09/482785309.db2.gz	OQEISSMQGPGBNR-UHFFFAOYSA-N	1	3	352.483	-1.004	20	30		FAEDHO
CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@]3(CCNC3=O)C2)C1	ZINC001158118615	792879848	/nfs/dbraw/zinc/87/98/48/792879848.db2.gz	BYASSOZNEYSHPA-JRPNMDOOSA-N	1	3	372.447	-2.369	20	30		FAEDHO
CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CC3(C[NH2+]C3)[C@@]3(CCNC3=O)C2)C1	ZINC001158118616	792879951	/nfs/dbraw/zinc/87/99/51/792879951.db2.gz	BYASSOZNEYSHPA-ZETOZRRWSA-N	1	3	372.447	-2.369	20	30		FAEDHO
CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@H]3C2)O4)C1	ZINC001158546773	792883628	/nfs/dbraw/zinc/88/36/28/792883628.db2.gz	LWDOLPIABLOPEQ-IHWVXMPCSA-N	1	3	359.448	-1.328	20	30		FAEDHO
CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CC[C@@]34C[NH2+]C[C@@H](C[C@@H]3C2)O4)C1	ZINC001158546774	792883856	/nfs/dbraw/zinc/88/38/56/792883856.db2.gz	LWDOLPIABLOPEQ-XLFUENPSSA-N	1	3	359.448	-1.328	20	30		FAEDHO
CCOC(=O)CN(CCC[NH3+])C(=O)[C@@H]1C[C@@H](OS(C)(=O)=O)CN1	ZINC001161158170	792910010	/nfs/dbraw/zinc/91/00/10/792910010.db2.gz	QJMHDFGZXBGGKA-MNOVXSKESA-N	1	3	351.425	-1.566	20	30		FAEDHO
CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CC[C@@H](N3CCC([NH3+])CC3)C2)C1	ZINC001161380280	792911934	/nfs/dbraw/zinc/91/19/34/792911934.db2.gz	STPRWXVYAJSGLO-MCIONIFRSA-N	1	3	360.480	-1.283	20	30		FAEDHO
CS(=O)(=O)O[C@H]1CN[C@H](C(=O)N2CC[C@H](N3CCC([NH3+])CC3)C2)C1	ZINC001161380281	792911848	/nfs/dbraw/zinc/91/18/48/792911848.db2.gz	STPRWXVYAJSGLO-MJBXVCDLSA-N	1	3	360.480	-1.283	20	30		FAEDHO
C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1sc2c(c1C#N)CC[NH2+]C2	ZINC001218553588	793176273	/nfs/dbraw/zinc/17/62/73/793176273.db2.gz	RDVCILBNJVVXEC-XVKPBYJWSA-N	1	3	364.431	-1.089	20	30		FAEDHO
CS(=O)(=O)O[C@H]1CN[C@H](C(=O)NCc2ncn3c2C[NH2+]CCC3)C1	ZINC001220313445	793693759	/nfs/dbraw/zinc/69/37/59/793693759.db2.gz	QGOBSHIHYXGRIJ-MNOVXSKESA-N	1	3	357.436	-1.301	20	30		FAEDHO
CCOC(=O)C1=C(NC(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2)CC[NH2+]C1	ZINC001220522828	793726890	/nfs/dbraw/zinc/72/68/90/793726890.db2.gz	GDFZOOVDAUVRTJ-SKDRFNHKSA-N	1	3	361.420	-1.380	20	30		FAEDHO
C[C@@H]1[C@H](C(=O)N2CCC(O)(CNCC(=O)NCC#N)CC2)CC[N@H+]1C	ZINC001281613033	794134712	/nfs/dbraw/zinc/13/47/12/794134712.db2.gz	IPGWGSBKJDWWKY-ZIAGYGMSSA-N	1	3	351.451	-1.091	20	30		FAEDHO
C[C@@H]1[C@H](C(=O)N2CCC(O)(CNCC(=O)NCC#N)CC2)CC[N@@H+]1C	ZINC001281613033	794134707	/nfs/dbraw/zinc/13/47/07/794134707.db2.gz	IPGWGSBKJDWWKY-ZIAGYGMSSA-N	1	3	351.451	-1.091	20	30		FAEDHO