smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)c([O-])c1	ZINC000009140106	520883063	/nfs/dbraw/zinc/88/30/63/520883063.db2.gz	UBXHFXHPGAOFDZ-PXLXIMEGSA-N	-1	3	477.543	2.614	10	30		JFEEHM
COc1ccc(C=[NH+][N-]c2nnc(SCC(=O)NC3CCCC3)[n-]2)cc1OCn1cccn1	ZINC000020259342	555744762	/nfs/dbraw/zinc/74/47/62/555744762.db2.gz	TVDJXHPQYNWQMK-WSDLNYQXSA-N	-1	3	470.559	2.643	10	30		JFEEHM
COc1ccc(C=NNc2nnc(SCC(=O)NC3CCCC3)[n-]2)cc1OCn1cccn1	ZINC000020259342	555744763	/nfs/dbraw/zinc/74/47/63/555744763.db2.gz	TVDJXHPQYNWQMK-WSDLNYQXSA-N	-1	3	470.559	2.643	10	30		JFEEHM
CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2cc(Br)ccc2[O-])c1	ZINC000013638218	562980091	/nfs/dbraw/zinc/98/00/91/562980091.db2.gz	IPLPDWPFXQKVBM-VCHYOVAHSA-N	-1	3	457.375	2.726	10	30		JFEEHM
NS(=O)(=O)c1ccc([N-]N=C2c3ccccc3N(Cc3ccccc3)C2=O)c([N+](=O)[O-])c1	ZINC000009090275	527315249	/nfs/dbraw/zinc/31/52/49/527315249.db2.gz	HZPWUNYNIDUUNY-HIXSDJFHSA-N	-1	3	451.464	2.605	10	30		JFEEHM
COC(=O)c1cc2c([n-]1)C(=O)C=C1N(C(=O)c3cc4cc(OC)c(OC)c(OC)c4[nH]3)C[C@H]3C[C@@]213	ZINC000000597427	562918273	/nfs/dbraw/zinc/91/82/73/562918273.db2.gz	VQNATVDKACXKTF-XELLLNAOSA-N	-1	3	477.473	2.802	10	30	in-vitro	JFEEHM
NS(=O)(=O)c1ccc(/N=C2/NC(=O)/C(=C/c3cc([O-])ccc3Br)S2)cc1	ZINC000017150141	563013570	/nfs/dbraw/zinc/01/35/70/563013570.db2.gz	NRZULVDETFUDRS-ZSOIEALJSA-N	-1	3	454.327	2.694	10	30		JFEEHM
CCN(CC)c1ccc(C=[NH+][N-]c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c([O-])c1	ZINC000009138525	520883515	/nfs/dbraw/zinc/88/35/15/520883515.db2.gz	KWWXMEKBGXAMGM-PXLXIMEGSA-N	-1	3	477.543	2.614	10	30		JFEEHM
O=C(N[C@@H]1CCOC[C@@H]1C(=O)N[O-])c1ccc(Cn2c3ccccc3nc2C(F)(F)F)cc1	ZINC000013982474	526935529	/nfs/dbraw/zinc/93/55/29/526935529.db2.gz	PGVYYPZKXKGBLD-JKSUJKDBSA-N	-1	3	462.428	2.744	10	30		JFEEHM
COc1ccc(C=NNc2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]2)c(OC)c1	ZINC000020229007	555719429	/nfs/dbraw/zinc/71/94/29/555719429.db2.gz	URNPSFDYGKSYTH-SSDVNMTOSA-N	-1	3	470.511	2.770	10	30		JFEEHM
COc1ccc(C=[NH+][N-]c2nnc(SCC(=O)Nc3ccc4c(c3)OCCO4)[n-]2)c(OC)c1	ZINC000020229007	555719433	/nfs/dbraw/zinc/71/94/33/555719433.db2.gz	URNPSFDYGKSYTH-SSDVNMTOSA-N	-1	3	470.511	2.770	10	30		JFEEHM