smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)(C#N)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000016607668	570928840	/nfs/dbraw/zinc/92/88/40/570928840.db2.gz	MKNWARFTXNRPCG-PMACEKPBSA-N	-2	0	399.454	3.594	40	30		GHEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000409097581	231160104	/nfs/dbraw/zinc/16/01/04/231160104.db2.gz	MPQWJJFXKGKNEG-REZTVBANSA-N	-2	0	379.166	3.820	40	30		GHEBRL
Cc1cc(/C=N\c2ccccc2O)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408858829	231122942	/nfs/dbraw/zinc/12/29/42/231122942.db2.gz	TUACTSZUIQWJQI-JJFYIABZSA-N	-2	0	378.384	3.947	40	30		GHEBRL
C=CCc1cc(/C=N/c2ccc(C(=O)[O-])cc2C)cc(OC)c1OCC(=O)[O-]	ZINC000059249195	570652694	/nfs/dbraw/zinc/65/26/94/570652694.db2.gz	NKTCUFOXJIZDKX-SSDVNMTOSA-N	-2	0	383.400	3.644	40	30		GHEBRL
Cc1c(/N=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])cccc1C(=O)[O-]	ZINC000409069514	231154297	/nfs/dbraw/zinc/15/42/97/231154297.db2.gz	VWRGBZVHNAEOGZ-REZTVBANSA-N	-2	0	379.166	3.820	40	30		GHEBRL
Cc1cc(C(=O)[O-])ccc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409101032	231160730	/nfs/dbraw/zinc/16/07/30/231160730.db2.gz	OSVPCWGDRJLHDL-REZTVBANSA-N	-2	0	379.166	3.820	40	30		GHEBRL
COc1cccc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c1O[C@H](C)C(=O)[O-]	ZINC000409239797	533389971	/nfs/dbraw/zinc/38/99/71/533389971.db2.gz	FEPKWQTZZNRYQG-KTMXNEEYSA-N	-2	0	377.780	3.649	40	30		GHEBRL
C=CCc1cc(/C=N/c2cc(C(=O)[O-])ccc2C)cc(OC)c1OCC(=O)[O-]	ZINC000059678283	570660929	/nfs/dbraw/zinc/66/09/29/570660929.db2.gz	LLKSSPDKHUSPHE-SSDVNMTOSA-N	-2	0	383.400	3.644	40	30		GHEBRL
O=C([O-])COc1ccccc1C=Nn1c(=S)[n-]nc1-c1ccc(Cl)cc1	ZINC000254392413	570736592	/nfs/dbraw/zinc/73/65/92/570736592.db2.gz	KYEWRHUETZADAF-UHFFFAOYSA-N	-2	0	388.836	3.607	40	30		GHEBRL
CC(C)(C)OC(=O)N=C([N-]C(=O)OC(C)(C)C)Nc1ccc(C(=O)[O-])cc1	ZINC000091244436	208115215	/nfs/dbraw/zinc/11/52/15/208115215.db2.gz	HLRWVDNGCCHKSI-UHFFFAOYSA-N	-2	0	379.413	3.817	40	30		GHEBRL
COc1cccc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)c1O[C@H](C)C(=O)[O-]	ZINC000409232687	533390225	/nfs/dbraw/zinc/39/02/25/533390225.db2.gz	BHIWHYIFGZTKAO-ZHLXBYETSA-N	-2	0	377.780	3.649	40	30		GHEBRL
Cc1c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cccc1C(=O)[O-]	ZINC000409100669	231160744	/nfs/dbraw/zinc/16/07/44/231160744.db2.gz	WCGBQRXDGBDYPI-REZTVBANSA-N	-2	0	379.166	3.820	40	30		GHEBRL
COc1ccc(/N=C\c2cc(C)n(-c3cc(C(=O)[O-])cc(C(=O)[O-])c3)c2C)cn1	ZINC000408814815	533251326	/nfs/dbraw/zinc/25/13/26/533251326.db2.gz	HUJMVMQFHAVVBB-YVNNLAQVSA-N	-2	0	393.399	3.645	40	30		GHEBRL
Cc1cc(C=NNc2ccccc2)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059249517	570652597	/nfs/dbraw/zinc/65/25/97/570652597.db2.gz	COSWTHTVKASYQH-WSDLNYQXSA-N	-2	0	377.400	3.937	40	30		GHEBRL
COc1cccc(/C=N/c2cc(C(=O)[O-])ccc2Cl)c1O[C@@H](C)C(=O)[O-]	ZINC000409239798	533390406	/nfs/dbraw/zinc/39/04/06/533390406.db2.gz	FEPKWQTZZNRYQG-YPZZKDGISA-N	-2	0	377.780	3.649	40	30		GHEBRL
O=[N+]([O-])c1ccc(Oc2ccc(/C=N/c3ccc([N+](=O)[O-])cc3[O-])cc2[O-])nc1	ZINC000009262180	527374206	/nfs/dbraw/zinc/37/42/06/527374206.db2.gz	KQOLIBZQOSNHJP-DJKKODMXSA-N	-2	0	396.315	3.852	40	30		GHEBRL
Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)(C#N)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000100989741	570280208	/nfs/dbraw/zinc/28/02/08/570280208.db2.gz	MKNWARFTXNRPCG-WOJBJXKFSA-N	-2	0	399.454	3.594	40	30		GHEBRL
C=CCc1cc(/C=N/c2cccc(C(=O)[O-])c2C)cc(OC)c1OCC(=O)[O-]	ZINC000059302574	570654973	/nfs/dbraw/zinc/65/49/73/570654973.db2.gz	IBLYRMZOSLRKKN-SSDVNMTOSA-N	-2	0	383.400	3.644	40	30		GHEBRL
Cc1cc(/C=N/c2ccc(O)cc2)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000059250135	570653063	/nfs/dbraw/zinc/65/30/63/570653063.db2.gz	WGHBJAXYPGCFFC-SSDVNMTOSA-N	-2	0	378.384	3.947	40	30		GHEBRL
Cc1cc(/C=N\c2cccc(O)c2)c(C)n1-c1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC000408855214	231122799	/nfs/dbraw/zinc/12/27/99/231122799.db2.gz	DIMKCJYQAAIKBB-JJFYIABZSA-N	-2	0	378.384	3.947	40	30		GHEBRL
COc1cccc(/C=N\c2ccc(Cl)c(C(=O)[O-])c2)c1O[C@@H](C)C(=O)[O-]	ZINC000409232685	533389530	/nfs/dbraw/zinc/38/95/30/533389530.db2.gz	BHIWHYIFGZTKAO-ZFKRWFGPSA-N	-2	0	377.780	3.649	40	30		GHEBRL
Cc1ccc(C(=O)[O-])cc1/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-]	ZINC000409070154	231154074	/nfs/dbraw/zinc/15/40/74/231154074.db2.gz	XUCLFWMPOJQGDO-REZTVBANSA-N	-2	0	379.166	3.820	40	30		GHEBRL
Cc1ccc(C(=O)[O-])cc1/N=C/c1cc(Br)cc([N+](=O)[O-])c1[O-]	ZINC000409107489	231162462	/nfs/dbraw/zinc/16/24/62/231162462.db2.gz	WDTSBUNDJXSWGE-REZTVBANSA-N	-2	0	379.166	3.820	40	30		GHEBRL