smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C[C@@H](CO)O[C@@H](C=O)n1cnc2c1nc[n-]c2=O	ZINC000005003148	170053646	/nfs/dbraw/zinc/05/36/46/170053646.db2.gz	RGWOFTGZWJGPHG-BQBZGAKWSA-N	-1	3	266.213	-1.607	40	30		CAEBHM
O=C[C@H](CO)O[C@@H](C=O)n1cnc2c1nc[n-]c2=O	ZINC000005003147	170053686	/nfs/dbraw/zinc/05/36/86/170053686.db2.gz	RGWOFTGZWJGPHG-RQJHMYQMSA-N	-1	3	266.213	-1.607	40	30		CAEBHM
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)N[O-])[C@@H](O)[C@@H]1O	ZINC000005008975	170054860	/nfs/dbraw/zinc/05/48/60/170054860.db2.gz	JKMMPUVFRIXQOW-YGWYGLMTSA-N	-1	3	296.243	-2.467	40	30		CAEBHM
[O-]c1ccccc1/C=N\[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004692130	260016071	/nfs/dbraw/zinc/01/60/71/260016071.db2.gz	VFWYEPIGHPIUNH-TWHJXLPRSA-N	-1	3	283.280	-1.389	40	30		CAEBHM
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C(=O)N[O-])[C@@H](O)[C@H]1O	ZINC000005008973	170054786	/nfs/dbraw/zinc/05/47/86/170054786.db2.gz	JKMMPUVFRIXQOW-AVAJSQPUSA-N	-1	3	296.243	-2.467	40	30		CAEBHM
[O-]c1ccccc1/C=N\[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004692131	260016164	/nfs/dbraw/zinc/01/61/64/260016164.db2.gz	VFWYEPIGHPIUNH-SMLSFPQOSA-N	-1	3	283.280	-1.389	40	30		CAEBHM
NC(N)=NNC(=CN=NC(N)N)C(O)=C([O-])[C@@H](O)CO	ZINC000104122053	372902567	/nfs/dbraw/zinc/90/25/67/372902567.db2.gz	OZSNIAZMEQYKFP-QOSYOBONSA-N	-1	3	290.284	-4.631	40	30		CAEBHM
[O-]c1ccccc1/C=N/[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000104329827	372902729	/nfs/dbraw/zinc/90/27/29/372902729.db2.gz	VFWYEPIGHPIUNH-QHIGCGHMSA-N	-1	3	283.280	-1.389	40	30		CAEBHM
O=C[C@@H](O[C@H](C=O)CO)n1cnc2c1nc[n-]c2=O	ZINC000013304294	373021320	/nfs/dbraw/zinc/02/13/20/373021320.db2.gz	RGWOFTGZWJGPHG-RNFRBKRXSA-N	-1	3	266.213	-1.607	40	30		CAEBHM
Cn1c2c(c(=O)n(C)c1=O)/C(=N/NC(N)=S)C(=O)[N-]2	ZINC000017918505	279315372	/nfs/dbraw/zinc/31/53/72/279315372.db2.gz	RMFONAMFKUBYMK-UHFFFAOYSA-N	-1	3	282.285	-2.427	40	30		CAEBHM
[O-]c1ccccc1/C=N/C[C@H](O)[C@H](O)[C@H](O)CO	ZINC000016951562	534380928	/nfs/dbraw/zinc/38/09/28/534380928.db2.gz	LWAWPVVJYQWZEU-HSDBXCOKSA-N	-1	3	255.270	-1.114	40	30		CAEBHM
O=C[C@@H](CO)O[C@H](C=O)n1cnc2c1nc[n-]c2=O	ZINC000013304290	570340409	/nfs/dbraw/zinc/34/04/09/570340409.db2.gz	RGWOFTGZWJGPHG-NKWVEPMBSA-N	-1	3	266.213	-1.607	40	30		CAEBHM
CCOC([O-])=NC(=O)c1cn(CC#N)c(=O)[nH]c1=O	ZINC000036644192	372816693	/nfs/dbraw/zinc/81/66/93/372816693.db2.gz	GWVKDWSAFKQMGE-UHFFFAOYSA-N	-1	3	266.213	-1.054	40	30		CAEBHM
CCOC(=O)[N-]C(=O)c1cn(CC#N)c(=O)[nH]c1=O	ZINC000036644192	372816704	/nfs/dbraw/zinc/81/67/04/372816704.db2.gz	GWVKDWSAFKQMGE-UHFFFAOYSA-N	-1	3	266.213	-1.054	40	30		CAEBHM
[O-]c1ccccc1/C=N/[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000104329822	372903467	/nfs/dbraw/zinc/90/34/67/372903467.db2.gz	VFWYEPIGHPIUNH-ILIIGIBHSA-N	-1	3	283.280	-1.389	40	30		CAEBHM
NC(N)=NNC(=CN=NC(N)N)C(O)=C([O-])[C@@H](O)CO	ZINC000104122049	372903702	/nfs/dbraw/zinc/90/37/02/372903702.db2.gz	OZSNIAZMEQYKFP-PDPXIODXSA-N	-1	3	290.284	-4.631	40	30		CAEBHM
Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)N[O-])[C@@H](O)[C@@H]1O	ZINC000005008974	170054872	/nfs/dbraw/zinc/05/48/72/170054872.db2.gz	JKMMPUVFRIXQOW-AZOMRORLSA-N	-1	3	296.243	-2.467	40	30		CAEBHM
Nc1ncnc2c1ncn2[C@H]1O[C@@H](C(=O)N[O-])[C@@H](O)[C@H]1O	ZINC000005008971	303506501	/nfs/dbraw/zinc/50/65/01/303506501.db2.gz	JKMMPUVFRIXQOW-KQQCLRPBSA-N	-1	3	296.243	-2.467	40	30		CAEBHM
[O-]c1ccccc1/C=N/C[C@@H](O)[C@H](O)[C@H](O)CO	ZINC000104254629	327238507	/nfs/dbraw/zinc/23/85/07/327238507.db2.gz	LWAWPVVJYQWZEU-GFHGWCFESA-N	-1	3	255.270	-1.114	40	30		CAEBHM
[O-]c1ccccc1/C=N\C[C@H](O)[C@H](O)[C@H](O)CO	ZINC000104254619	327238543	/nfs/dbraw/zinc/23/85/43/327238543.db2.gz	LWAWPVVJYQWZEU-UESVICBLSA-N	-1	3	255.270	-1.114	40	30		CAEBHM