smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCC/C(=N/[O-])c1ccc(OCCCCCCCC)cc1O	ZINC000100166365	519976338	/nfs/dbraw/zinc/97/63/38/519976338.db2.gz	UKRASVYZKQFYMZ-BZZOAKBMSA-N	-1	3	391.596	7.451	10	30		GKEEHM
[O-]c1ccc(Br)cc1C=NNc1c2ccccc2nc2ccccc21	ZINC000083329801	526341363	/nfs/dbraw/zinc/34/13/63/526341363.db2.gz	KMTIUJKVSBVZEG-UUYOSTAYSA-N	-1	3	392.256	5.302	10	30		GKEEHM
CCCCCCCCC/C(=N/[O-])c1cc(CCCCCC)c(OC)cc1O	ZINC000100166346	519976290	/nfs/dbraw/zinc/97/62/90/519976290.db2.gz	VXAYTTFWOYSUFE-FLFQWRMESA-N	-1	3	377.569	6.843	10	30		GKEEHM
CCN(CC)c1ccc(C=[NH+][N-]c2c(Cl)cc(Cl)cc2Cl)c([O-])c1	ZINC000005794862	520881723	/nfs/dbraw/zinc/88/17/23/520881723.db2.gz	XXHNALLWJAHILA-UFFVCSGVSA-N	-1	3	386.710	5.645	10	30		GKEEHM
[O-]c1ccc(Br)cc1/C=N\c1ccc(Br)c(Cl)c1	ZINC000100489774	526340786	/nfs/dbraw/zinc/34/07/86/526340786.db2.gz	LZVHJNWNDFOTPD-IDUWFGFVSA-N	-1	3	389.474	5.321	10	30		GKEEHM
C=CCc1ccc(O)c(-c2cc(CC=C)cc(-c3cc(CC=C)ccc3O)c2[O-])c1	ZINC000015148440	291144092	/nfs/dbraw/zinc/14/40/92/291144092.db2.gz	PLBCEMUNKQWXGZ-UHFFFAOYSA-N	-1	3	398.502	6.323	10	30	biogenic	GKEEHM
CCCCCCCCCCCCCCCCOc1ccccc1/C(C)=N/[O-]	ZINC000059480045	520001509	/nfs/dbraw/zinc/00/15/09/520001509.db2.gz	LAQKEBRZSVPZLB-YYDJUVGSSA-N	-1	3	375.597	7.745	10	30		GKEEHM
C=CCc1ccc(Oc2cc(CC=C)cc(-c3cc(CC=C)ccc3O)c2[O-])cc1	ZINC000014559568	209166648	/nfs/dbraw/zinc/16/66/48/209166648.db2.gz	HFHHTRIAKONNBG-UHFFFAOYSA-N	-1	3	398.502	6.743	10	30	biogenic,in-vitro	GKEEHM
O=C(c1ccccc1)c1ccc(/N=C\c2cc(Br)ccc2[O-])cc1	ZINC000100480721	526797955	/nfs/dbraw/zinc/79/79/55/526797955.db2.gz	DOHRCNSKBVADNE-XKZIYDEJSA-N	-1	3	380.241	5.136	10	30		GKEEHM
[O-]/N=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1	ZINC000103864293	527589945	/nfs/dbraw/zinc/58/99/45/527589945.db2.gz	IAXPTSBUVJQXPS-CNHKJKLMSA-N	-1	3	375.049	5.143	10	30		GKEEHM
CCCCCCCCCCCCOc1ccc(NC(=O)c2ccc([O-])cc2)cc1	ZINC000101005741	211394210	/nfs/dbraw/zinc/39/42/10/211394210.db2.gz	VYHZNESVAFXGNZ-UHFFFAOYSA-N	-1	3	397.559	6.944	10	30		GKEEHM
CCCCCCCn1c2ccccc2nc1/N=C(/C)c1cc(Cl)ccc1[O-]	ZINC000050860183	520071962	/nfs/dbraw/zinc/07/19/62/520071962.db2.gz	XWHGOEGTVQJNQZ-JLPGSUDCSA-N	-1	3	383.923	6.506	10	30		GKEEHM
[O-]c1ccc(Br)cc1/C=N/c1ccc(Br)c(Cl)c1	ZINC000001234443	209318120	/nfs/dbraw/zinc/31/81/20/209318120.db2.gz	LZVHJNWNDFOTPD-REZTVBANSA-N	-1	3	389.474	5.321	10	30		GKEEHM
O=C(Nc1ccccc1)c1ccccc1/N=C\c1cc(Br)ccc1[O-]	ZINC000100484814	527400540	/nfs/dbraw/zinc/40/05/40/527400540.db2.gz	BVMKXPSKQSOHNV-XKZIYDEJSA-N	-1	3	395.256	5.158	10	30		GKEEHM