smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1ccc([N-]S(=O)(=O)c3cccs3)c(=O)n1C2	ZINC000004150100	291325029	/nfs/dbraw/zinc/32/50/29/291325029.db2.gz	NOJOEUJEVVJWCG-NWDGAFQWSA-N	-1	3	429.545	1.089	10	0	biogenic	IDAEHM
COCCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c2ccc([N-]S(=O)(=O)c2cccs2)c1=O	ZINC000003841451	291323291	/nfs/dbraw/zinc/32/32/91/291323291.db2.gz	PAQWDKAMYHPTNC-UONOGXRCSA-N	-1	3	437.543	1.693	10	0		IDAEHM
Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCNCC3)c(C(=O)N(C)C)c2)cc1C	ZINC000035514024	524326729	/nfs/dbraw/zinc/32/67/29/524326729.db2.gz	ZAMCEWQIYFEUDO-UHFFFAOYSA-N	-1	3	431.562	1.919	10	0		IDAEHM
NC(=O)C1CCN(CC[C@H]2CN(S(=O)(=O)c3ccccc3)CC[C@H]2CC(=O)[O-])CC1	ZINC000020463166	526858463	/nfs/dbraw/zinc/85/84/63/526858463.db2.gz	FUITWSAUXLLDAS-ROUUACIJSA-N	-1	3	437.562	1.376	10	0	biogenic	IDAEHM
CCS(=O)(=O)Nc1ccc(N2CCC(C(N)=O)(N3CCCCC3)CC2)c(C(=O)[O-])c1	ZINC000033253449	556893681	/nfs/dbraw/zinc/89/36/81/556893681.db2.gz	DPVJIWVCWIOGRP-UHFFFAOYSA-N	-1	3	438.550	1.457	10	0		IDAEHM
COCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)cc2C)cnc1N1CCNCC1	ZINC000065025220	569090544	/nfs/dbraw/zinc/09/05/44/569090544.db2.gz	BKZXDYRJEQGZOI-UHFFFAOYSA-N	-1	3	447.561	1.285	10	0		IDAEHM
O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)[N-]N3CCOCC3)c21	ZINC000004758603	568791315	/nfs/dbraw/zinc/79/13/15/568791315.db2.gz	HSJVYPXFWXLDBD-UHFFFAOYSA-N	-1	3	430.324	1.274	10	0		IDAEHM
COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C(=O)N(C)C)ccc2N2CCNCC2)c1	ZINC000033033235	568615064	/nfs/dbraw/zinc/61/50/64/568615064.db2.gz	NIAPHTMJHLTUIZ-UHFFFAOYSA-N	-1	3	448.545	1.616	10	0		IDAEHM
NC(=O)C1(N2CCCCC2)CCN(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)CC1	ZINC000008584534	562950103	/nfs/dbraw/zinc/95/01/03/562950103.db2.gz	XYQQUQNDOASUQV-UHFFFAOYSA-N	-1	3	447.483	1.626	10	0		IDAEHM
COC(C[N-]S(=O)(=O)c1cc(Br)cc2c1N(C(=O)C1CC1)CC2)OC	ZINC000004758790	568791349	/nfs/dbraw/zinc/79/13/49/568791349.db2.gz	IGUFVVUYKKXTDR-UHFFFAOYSA-N	-1	3	433.324	1.645	10	0		IDAEHM
O=C(C[C@H]1NC(=O)[N-]C1=O)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1	ZINC000022668622	527181365	/nfs/dbraw/zinc/18/13/65/527181365.db2.gz	FKHSKUAEPQMRKY-OAHLLOKOSA-N	-1	3	448.405	1.409	10	0		IDAEHM
O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCN(c2nccc(-c3cccc(C(F)(F)F)c3)n2)CC1	ZINC000022668617	527137966	/nfs/dbraw/zinc/13/79/66/527137966.db2.gz	FKHSKUAEPQMRKY-HNNXBMFYSA-N	-1	3	448.405	1.409	10	0		IDAEHM
CC(C)S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(CCCCO)CC2)cc1F	ZINC000095461890	569369979	/nfs/dbraw/zinc/36/99/79/569369979.db2.gz	NTULZCAFAZKRBW-UHFFFAOYSA-N	-1	3	437.559	1.055	10	0		IDAEHM
O=C(C[N-]S(=O)(=O)c1cccs1)NCCCN1CCN(c2ccccc2F)CC1	ZINC000004734423	132272975	/nfs/dbraw/zinc/27/29/75/132272975.db2.gz	QCAYVOZFDRYMTP-UHFFFAOYSA-N	-1	3	440.566	1.494	10	0		IDAEHM