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([O-])c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000008770238	132843960	/nfs/dbraw/zinc/84/39/60/132843960.db2.gz	UTAOZDCWJWIZMP-NTEUORMPSA-N	-2	0	370.748	3.545	50	10		FHCARL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000095471530	571330699	/nfs/dbraw/zinc/33/06/99/571330699.db2.gz	MTLXJESHNCDUPK-ZROIWOOFSA-N	-2	0	372.768	3.672	50	10		FHCARL
O=C([O-])CC[C@@H](NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)[O-]	ZINC000071767395	205444023	/nfs/dbraw/zinc/44/40/23/205444023.db2.gz	FLCMIASZWXROHD-UCMDFWOYSA-N	-2	0	370.365	3.542	50	10		FHCARL
O=C([O-])c1ccc(C=C2C(=O)[N-]C(=O)N(c3ccc(Cl)cc3)C2=O)cc1	ZINC000013773896	571114525	/nfs/dbraw/zinc/11/45/25/571114525.db2.gz	UTAOZDCWJWIZMP-ZROIWOOFSA-N	-2	0	370.748	3.545	50	10		FHCARL
O=C([O-])c1ccc(-c2c3c[nH]nc3nc3c4ccc(O)c([O-])c4oc32)cc1	ZINC000217908469	571351476	/nfs/dbraw/zinc/35/14/76/571351476.db2.gz	UNEOJETYYXHFBN-UHFFFAOYSA-N	-2	0	361.313	3.634	50	10		FHCARL
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C(=O)[O-])cc2)cc1	ZINC000004151202	207003265	/nfs/dbraw/zinc/00/32/65/207003265.db2.gz	VWAMZCOBWIBCOA-UHFFFAOYSA-N	-2	0	365.385	3.868	50	10	biogenic	FHCARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000016160838	570851666	/nfs/dbraw/zinc/85/16/66/570851666.db2.gz	XPMYKXXXIXCDNN-GDNBJRDFSA-N	-2	0	355.781	3.757	50	10		FHCARL
Cc1[n-]n2c(nc(C)c(Cc3ccc(Cl)c(Cl)c3)c2=O)c1C(=O)[O-]	ZINC000103795308	570852773	/nfs/dbraw/zinc/85/27/73/570852773.db2.gz	DUSXJQOPDLURNE-UHFFFAOYSA-N	-2	0	366.204	3.648	50	10		FHCARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000019732264	570901369	/nfs/dbraw/zinc/90/13/69/570901369.db2.gz	LUZUCJIZDRQNQT-YBEGLDIGSA-N	-2	0	366.377	3.636	50	10		FHCARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000016672090	570860093	/nfs/dbraw/zinc/86/00/93/570860093.db2.gz	QSPJYEVJGCYROP-ZROIWOOFSA-N	-2	0	372.768	3.672	50	10		FHCARL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000016312171	570854289	/nfs/dbraw/zinc/85/42/89/570854289.db2.gz	LZYIMVZMTIMUNE-MHWRWJLKSA-N	-2	0	366.377	3.636	50	10		FHCARL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccccc1C(=O)[O-]	ZINC000017748427	570762076	/nfs/dbraw/zinc/76/20/76/570762076.db2.gz	WWTJCQFTIIDRDX-GDNBJRDFSA-N	-2	0	355.781	3.757	50	10		FHCARL
O=C([O-])CC[C@H](NC(=O)Nc1ccc(/N=N/c2ccccc2)cc1)C(=O)[O-]	ZINC000071767394	221372547	/nfs/dbraw/zinc/37/25/47/221372547.db2.gz	FLCMIASZWXROHD-SKAIHHOBSA-N	-2	0	370.365	3.542	50	10		FHCARL
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1ccc(C(=O)[O-])cc1	ZINC000004151200	570579106	/nfs/dbraw/zinc/57/91/06/570579106.db2.gz	BZNFNTHXWWSLHN-UHFFFAOYSA-N	-2	0	353.349	3.999	50	10		FHCARL
CC1=NN(c2ccc(Br)cc2)C(=O)C1=CNc1ccccc1O	ZINC000101114331	570816873	/nfs/dbraw/zinc/81/68/73/570816873.db2.gz	MTPQZCBSMDKBII-GXDHUFHOSA-N	-2	0	372.222	3.873	50	10		FHCARL
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(C(=O)[O-])c2)cc1	ZINC000004151212	571356229	/nfs/dbraw/zinc/35/62/29/571356229.db2.gz	BGOIORQGWYPXBA-UHFFFAOYSA-N	-2	0	365.385	3.868	50	10		FHCARL
COc1cc(C(=O)[O-])cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004623659	571121975	/nfs/dbraw/zinc/12/19/75/571121975.db2.gz	WNUXNGHJNIWBOG-HDMKZQKVSA-N	-2	0	365.385	3.918	50	10		FHCARL
CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1cccc(C(=O)[O-])c1	ZINC000100535641	222246904	/nfs/dbraw/zinc/24/69/04/222246904.db2.gz	UYCQRORWCCFAQN-MHWRWJLKSA-N	-2	0	355.781	3.757	50	10		FHCARL
O=C([O-])C1=CC(=NNc2ccc3cc(S(=O)(=O)[O-])ccc3c2)C=CC1=O	ZINC000004571276	570596669	/nfs/dbraw/zinc/59/66/69/570596669.db2.gz	DCWXXNCBFBBEEN-VHEBQXMUSA-N	-2	0	372.358	3.906	50	10		FHCARL
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(C(=O)[O-])c1	ZINC000004151210	570579149	/nfs/dbraw/zinc/57/91/49/570579149.db2.gz	HMOJSEUGGXLZBR-UHFFFAOYSA-N	-2	0	353.349	3.999	50	10		FHCARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000095471556	571330652	/nfs/dbraw/zinc/33/06/52/571330652.db2.gz	AVELYVWLHQMPDH-ZROIWOOFSA-N	-2	0	372.768	3.672	50	10		FHCARL
COc1cc(C(=O)[O-])cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000014944373	220136062	/nfs/dbraw/zinc/13/60/62/220136062.db2.gz	WNUXNGHJNIWBOG-RVKKMQEKSA-N	-2	0	365.385	3.918	50	10		FHCARL
COc1cc(C(=O)[O-])cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000014944375	220136091	/nfs/dbraw/zinc/13/60/91/220136091.db2.gz	WNUXNGHJNIWBOG-IIDMSEBBSA-N	-2	0	365.385	3.918	50	10		FHCARL
COc1cc(C(=O)[O-])cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004623655	571121871	/nfs/dbraw/zinc/12/18/71/571121871.db2.gz	WNUXNGHJNIWBOG-RLFYNMQTSA-N	-2	0	365.385	3.918	50	10		FHCARL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000006233569	571167365	/nfs/dbraw/zinc/16/73/65/571167365.db2.gz	RZOMDZVSJSNDPG-GDNBJRDFSA-N	-2	0	366.377	3.636	50	10		FHCARL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000016160761	220179599	/nfs/dbraw/zinc/17/95/99/220179599.db2.gz	HZJFQUYVUNKPQD-YBEGLDIGSA-N	-2	0	355.781	3.757	50	10		FHCARL
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(C(=O)[O-])cc1	ZINC000012412813	570743359	/nfs/dbraw/zinc/74/33/59/570743359.db2.gz	VJVOMXQASOAITR-YBEGLDIGSA-N	-2	0	355.781	3.757	50	10		FHCARL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000095471480	571330647	/nfs/dbraw/zinc/33/06/47/571330647.db2.gz	PRUSPVMARLUZPH-ZROIWOOFSA-N	-2	0	372.768	3.672	50	10		FHCARL