smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc2c3nnc(NN=Cc4cc(Br)c(O)c(Br)c4)[n-]c-3nc21	ZINC000033154920	524969628	/nfs/dbraw/zinc/96/96/28/524969628.db2.gz	HVEGJNQYYCCARC-SCDVKCJHSA-N	-1	2	476.132	4.491	50	30		JIEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102876480	130348674	/nfs/dbraw/zinc/34/86/74/130348674.db2.gz	JGSBXFWLUSYWMG-OXTHERODSA-N	-1	2	470.437	4.476	50	30		JIEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000102929156	569827493	/nfs/dbraw/zinc/82/74/93/569827493.db2.gz	WMAGSKMFYRWOAQ-DZICCTRASA-N	-1	2	470.437	4.476	50	30		JIEALM
CCC1(COC([N-]C(=O)C(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F)COC1	ZINC000008445355	194450435	/nfs/dbraw/zinc/45/04/35/194450435.db2.gz	HFWKDEHNGHVSCP-UHFFFAOYSA-N	-1	2	459.227	4.108	50	30		JIEALM
Oc1c(Br)cc(C=NNc2nnc3c4ccccc4nc-3[n-]2)cc1Br	ZINC000015015428	526323243	/nfs/dbraw/zinc/32/32/43/526323243.db2.gz	IKODWFTXWABOFN-FBCYGCLPSA-N	-1	2	462.105	4.183	50	30		JIEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000008987673	554850192	/nfs/dbraw/zinc/85/01/92/554850192.db2.gz	PVLBBACCOIMTMV-MDRMPYQZSA-N	-1	2	470.437	4.476	50	30		JIEALM
COc1cc(/C=N/c2ccccc2/N=C/c2cc(OC)cc([N+](=O)[O-])c2O)c([O-])c([N+](=O)[O-])c1	ZINC000003122184	522002983	/nfs/dbraw/zinc/00/29/83/522002983.db2.gz	VRXGZGSNOZUQEW-ASIDMNOUSA-N	-1	2	466.406	4.433	50	30		JIEALM
Cc1ccc2nc3[n-]c(NN=Cc4cc(Br)c(O)c(Br)c4)nnc-3c2c1	ZINC000015015397	526111090	/nfs/dbraw/zinc/11/10/90/526111090.db2.gz	CFUUGXWTCIDVAA-IFRROFPPSA-N	-1	2	476.132	4.491	50	30		JIEALM
[O-]c1c(Br)cc(C=Nn2c(=S)[nH]nc2-c2ccccc2)c(O)c1Br	ZINC000000805195	553784488	/nfs/dbraw/zinc/78/44/88/553784488.db2.gz	RUMPQGYSGMSMKV-CNHKJKLMSA-N	-1	2	470.146	4.426	50	30		JIEALM
O=C1c2ccc(O)c(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2O/C1=C\c1ccccc1Cl	ZINC000217538568	569880267	/nfs/dbraw/zinc/88/02/67/569880267.db2.gz	ZLUUGTUWQJNOGK-GALHACMUSA-N	-1	2	474.944	4.443	50	30		JIEALM
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc(/N=C/c3cc([N+](=O)[O-])ccc3O)cc2[N+](=O)[O-])c1	ZINC000101410616	569796950	/nfs/dbraw/zinc/79/69/50/569796950.db2.gz	WTRFPJAZNHBUOF-OIEABDAFSA-N	-1	2	451.351	4.324	50	30		JIEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000013563532	555498738	/nfs/dbraw/zinc/49/87/38/555498738.db2.gz	KUPOTAGFICRNSR-MGSLXVHVSA-N	-1	2	470.437	4.476	50	30		JIEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000102929153	569827508	/nfs/dbraw/zinc/82/75/08/569827508.db2.gz	WMAGSKMFYRWOAQ-JNSWZRPYSA-N	-1	2	470.437	4.476	50	30		JIEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000102876475	130348156	/nfs/dbraw/zinc/34/81/56/130348156.db2.gz	JGSBXFWLUSYWMG-WHDLCLIMSA-N	-1	2	470.437	4.476	50	30		JIEALM
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@H]1c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000101057216	569780635	/nfs/dbraw/zinc/78/06/35/569780635.db2.gz	ZNOLICLNGBVYTO-WOOAAIBNSA-N	-1	2	480.274	4.379	50	30		JIEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1	ZINC000008987665	554850207	/nfs/dbraw/zinc/85/02/07/554850207.db2.gz	PVLBBACCOIMTMV-OTOIZHKDSA-N	-1	2	470.437	4.476	50	30		JIEALM
O=C([O-])c1cccc(N2C(=O)C(O)=C(C(=O)C=Cc3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1	ZINC000013563529	555498768	/nfs/dbraw/zinc/49/87/68/555498768.db2.gz	KUPOTAGFICRNSR-RFMKRLFESA-N	-1	2	470.437	4.476	50	30		JIEALM
C=CCOc1c(Cl)cc(C=C2C(=O)NC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC	ZINC000033398552	519003302	/nfs/dbraw/zinc/00/33/02/519003302.db2.gz	FCJLCQJQBQEOFN-DHDCSXOGSA-N	-1	2	456.838	4.118	50	30		JIEALM
O=C(C1=C(O)C(=O)N(c2ccc(Br)cn2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccccc1	ZINC000101057217	569780653	/nfs/dbraw/zinc/78/06/53/569780653.db2.gz	ZNOLICLNGBVYTO-LFVOPCPISA-N	-1	2	480.274	4.379	50	30		JIEALM