smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)C(=CNCCCOC)C(=O)[N-]C1=S	ZINC000001879656	351307094	/nfs/dbraw/zinc/30/70/94/351307094.db2.gz	LAUWFNIUIGKHKT-CMDGGOBGSA-N	-1	1	283.353	-0.074	50	30		CBEAMM
C/C(C[C@@]1(O)c2no[n+]([O-])c2CC/C1=N\[O-])=N\O	ZINC000004596616	276830094	/nfs/dbraw/zinc/83/00/94/276830094.db2.gz	DCNHCIKKNDMGCZ-YWHSMLCWSA-N	-1	1	256.218	-0.488	50	30		CBEAMM
C=CCN1C(=O)C(=CNN2CCOCC2)C(=O)[N-]C1=S	ZINC000001252175	351302466	/nfs/dbraw/zinc/30/24/66/351302466.db2.gz	AGNHSVIMDAJRQO-CMDGGOBGSA-N	-1	1	296.352	-0.023	50	30		CBEAMM
C(=[NH+][N-]c1nn[nH]n1)c1ccc(C=[NH+][N-]c2nnn[n-]2)cc1	ZINC000030761528	544417934	/nfs/dbraw/zinc/41/79/34/544417934.db2.gz	GBOVPZMAZCSYKZ-JTAXDKCCSA-N	-1	1	298.274	-0.395	50	30		CBEAMM
NC(=O)C(N=Nc1ccc(C(=O)[O-])cc1)C(N)=O	ZINC000004477568	351319186	/nfs/dbraw/zinc/31/91/86/351319186.db2.gz	TXLNWEYTGCOSGT-UHFFFAOYSA-N	-1	1	250.214	-0.877	50	30		CBEAMM
COC(=O)c1ccccc1NN=C1C(=O)[N-]NC1=O	ZINC000004675688	351321197	/nfs/dbraw/zinc/32/11/97/351321197.db2.gz	OCOZCUNVNALEEU-UHFFFAOYSA-N	-1	1	262.225	-0.598	50	30		CBEAMM
O=C(/C=N/[O-])NCCCNC(=O)c1cccnc1	ZINC000007871654	170305598	/nfs/dbraw/zinc/30/55/98/170305598.db2.gz	OXRJJAGGANEJKB-OVCLIPMQSA-N	-1	1	250.258	-0.222	50	30		CBEAMM
COc1nc(/C(N)=N\[O-])nc(N2CCCCC2)n1	ZINC000013123682	351334802	/nfs/dbraw/zinc/33/48/02/351334802.db2.gz	NGYYAZPHRXDUDE-UHFFFAOYSA-N	-1	1	252.278	-0.035	50	30		CBEAMM
NC(=O)C(=NNc1ccccc1C(=O)[O-])C(N)=O	ZINC000004477569	351319330	/nfs/dbraw/zinc/31/93/30/351319330.db2.gz	RNPSZDHYEXUIOT-UHFFFAOYSA-N	-1	1	250.214	-0.877	50	30		CBEAMM
COC(=O)C1=C(O)C(=CNCC(=O)[O-])C(=O)CC1(C)C	ZINC000013283213	351336050	/nfs/dbraw/zinc/33/60/50/351336050.db2.gz	IVULFQXCSVDUQF-BREXMAIKSA-N	-1	1	283.280	-0.098	50	30		CBEAMM
COc1ccccc1Nc1nc([O-])c([N+](=O)[O-])c(=O)[nH]1	ZINC000005796352	170141189	/nfs/dbraw/zinc/14/11/89/170141189.db2.gz	PCZPGCXJPUYETB-UHFFFAOYSA-N	-1	1	278.224	-0.235	50	30		CBEAMM
N=C(NC(N)=NC(=O)C=CC(=O)[O-])Nc1ccccc1O	ZINC000030713770	351375938	/nfs/dbraw/zinc/37/59/38/351375938.db2.gz	ZKOQIFZMGRCMPV-WAYWQWQTSA-N	-1	1	291.267	-0.189	50	30		CBEAMM
C=CCC1(CN2CCCC2=O)C(=O)[N-]C(=O)NC1=O	ZINC000008767652	170354829	/nfs/dbraw/zinc/35/48/29/170354829.db2.gz	HYWOEBRVSPTNIO-UHFFFAOYSA-N	-1	1	265.269	-0.463	50	30		CBEAMM
C=CCNC(=O)CN1CCN(CCC(=O)[O-])CC1	ZINC000035125643	171995863	/nfs/dbraw/zinc/99/58/63/171995863.db2.gz	LCCZBRCOZOZYIE-UHFFFAOYSA-N	-1	1	255.318	-0.619	50	30		CBEAMM
O=C1OC(Cc2ccccn2)=C([O-])C1=C1NCCCN1	ZINC000101000142	280312491	/nfs/dbraw/zinc/31/24/91/280312491.db2.gz	ZUFQHHCJQGKRMS-SNVBAGLBSA-N	-1	1	273.292	-0.087	50	30		CBEAMM
CN(CCC#N)C(=O)CNC(=O)c1ncccc1[O-]	ZINC000089340312	351729403	/nfs/dbraw/zinc/72/94/03/351729403.db2.gz	BJZIAXBXNUVUKZ-UHFFFAOYSA-N	-1	1	262.269	-0.111	50	30		CBEAMM
CCOC(=O)C(C#N)=N[N-]c1[nH]cnc1C(=O)NC	ZINC000001414505	351302166	/nfs/dbraw/zinc/30/21/66/351302166.db2.gz	ZPDZKFPZJPSUCU-GIDUJCDVSA-N	-1	1	264.245	-0.376	50	30		CBEAMM
CCOC(=O)c1[n-]cnc1N=NC1C(N)=NN(C)C1=O	ZINC000101389846	351782389	/nfs/dbraw/zinc/78/23/89/351782389.db2.gz	NTZBEJVYLLEHLY-LHHJGKSTSA-N	-1	1	279.260	-0.902	50	30		CBEAMM
C=CCN1C(=O)C(=CNN2CCOCC2)C(=O)[N-]C1=S	ZINC000020023354	351352922	/nfs/dbraw/zinc/35/29/22/351352922.db2.gz	AGNHSVIMDAJRQO-HJWRWDBZSA-N	-1	1	296.352	-0.023	50	30		CBEAMM
CCOC(=O)c1[n-]cnc1N=NC1C(N)=NN(C)C1=O	ZINC000252622371	352378708	/nfs/dbraw/zinc/37/87/08/352378708.db2.gz	NTZBEJVYLLEHLY-UHFFFAOYSA-N	-1	1	279.260	-0.902	50	30		CBEAMM
COC(=O)C1=C(O)C(=CNCC(=O)[O-])C(=O)CC1(C)C	ZINC000020112767	291301563	/nfs/dbraw/zinc/30/15/63/291301563.db2.gz	IVULFQXCSVDUQF-STUBTGCMSA-N	-1	1	283.280	-0.098	50	30		CBEAMM
O=C(/C=N/[O-])NCCCNC(=O)c1ccccn1	ZINC000007871656	170305741	/nfs/dbraw/zinc/30/57/41/170305741.db2.gz	LTLDDFAATRYZQA-OVCLIPMQSA-N	-1	1	250.258	-0.222	50	30		CBEAMM
C/C(C[C@]1(O)c2no[n+]([O-])c2CC/C1=N\[O-])=N\O	ZINC000004596615	276830050	/nfs/dbraw/zinc/83/00/50/276830050.db2.gz	DCNHCIKKNDMGCZ-QKUGJZLMSA-N	-1	1	256.218	-0.488	50	30		CBEAMM
C/C(=N\[O-])C(=O)NCCNC(=O)c1ccncc1	ZINC000102506158	351785177	/nfs/dbraw/zinc/78/51/77/351785177.db2.gz	IVSSFQACNBNLJJ-OVCLIPMQSA-N	-1	1	250.258	-0.222	50	30		CBEAMM
O=C1OC(Cc2ccccn2)=C([O-])C1=C1NCCCN1	ZINC000101000144	280311027	/nfs/dbraw/zinc/31/10/27/280311027.db2.gz	ZUFQHHCJQGKRMS-JTQLQIEISA-N	-1	1	273.292	-0.087	50	30		CBEAMM