smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(NC(=O)CN(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216802400	569879373	/nfs/dbraw/zinc/87/93/73/569879373.db2.gz	UQQSADBLAWHXQG-UHFFFAOYSA-N	0	3	453.967	2.880	40	70		JFIBHN
CN1CCC(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000216819134	569879575	/nfs/dbraw/zinc/87/95/75/569879575.db2.gz	WOTDNZCGQAQEOJ-HXUWFJFHSA-N	0	3	480.428	2.549	40	70		JFIBHN
CN1CCC(NC(=O)CN(Cc2ccccc2F)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216803156	569879379	/nfs/dbraw/zinc/87/93/79/569879379.db2.gz	PPDSHEFDTQJWCB-UHFFFAOYSA-N	0	3	453.967	2.880	40	70		JFIBHN
Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)NC1CCN(C)CC1	ZINC000216835979	569879648	/nfs/dbraw/zinc/87/96/48/569879648.db2.gz	PMSWCWNZESUQLC-UHFFFAOYSA-N	0	3	457.596	2.726	40	70		JFIBHN
C[NH+]1CCC(NC(=O)COc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3)cc2)CC1	ZINC000216833369	569879712	/nfs/dbraw/zinc/87/97/12/569879712.db2.gz	ZLZXYXSFRYYOJP-UHFFFAOYSA-N	0	3	482.400	2.839	40	70		JFIBHN
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCN(C)CC2)cc1Cl	ZINC000216811749	569879465	/nfs/dbraw/zinc/87/94/65/569879465.db2.gz	ADBHWLFKWXQRAX-UHFFFAOYSA-N	0	3	480.030	2.792	40	70		JFIBHN
CN1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2Cl)CC1	ZINC000216837427	569879644	/nfs/dbraw/zinc/87/96/44/569879644.db2.gz	WUJSBRNFYSWRAS-UHFFFAOYSA-N	0	3	463.987	2.681	40	70		JFIBHN
CCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)cc1C	ZINC000216813978	569879483	/nfs/dbraw/zinc/87/94/83/569879483.db2.gz	XZDKYYVOQVUUII-UHFFFAOYSA-N	0	3	459.612	2.795	40	70		JFIBHN
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)cc2)cc1Cl	ZINC000216833673	569879721	/nfs/dbraw/zinc/87/97/21/569879721.db2.gz	OSXVDCWPQKPYNK-UHFFFAOYSA-N	0	3	467.975	2.739	40	70		JFIBHN
CN1CCC(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000216799469	569879364	/nfs/dbraw/zinc/87/93/64/569879364.db2.gz	WSKOWUCVXJSFPJ-UHFFFAOYSA-N	0	3	494.455	2.893	40	70		JFIBHN
CN1CCC(NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216798937	569879433	/nfs/dbraw/zinc/87/94/33/569879433.db2.gz	LTGOFOVNEBPEOL-UHFFFAOYSA-N	0	3	450.004	2.784	40	70		JFIBHN
COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)cc1Cl	ZINC000216811400	569879473	/nfs/dbraw/zinc/87/94/73/569879473.db2.gz	SUWGSVDEHVIVGA-UHFFFAOYSA-N	0	3	466.003	2.750	40	70		JFIBHN
CN(Cc1ccccc1)Cc1c(O)c(=O)cc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)n1C	ZINC000217558724	569880374	/nfs/dbraw/zinc/88/03/74/569880374.db2.gz	AZOVDONMMZHDQV-LEWJYISDSA-N	0	3	460.578	2.504	40	70		JFIBHN
CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)c(C)c2)cc1	ZINC000216836850	569879679	/nfs/dbraw/zinc/87/96/79/569879679.db2.gz	XOJNZTUFCRJLTH-UHFFFAOYSA-N	0	3	461.584	2.784	40	70		JFIBHN
CN1CCC(NC(=O)CN(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000216801931	569879410	/nfs/dbraw/zinc/87/94/10/569879410.db2.gz	RXDNCHWUGQIGRF-UHFFFAOYSA-N	0	3	480.428	2.850	40	70		JFIBHN
COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)C2CCCCC2)cc1Cl	ZINC000216811586	569879493	/nfs/dbraw/zinc/87/94/93/569879493.db2.gz	SQHUGNNVZSSSNC-UHFFFAOYSA-N	0	3	458.024	2.882	40	70		JFIBHN
COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CC[NH+](C)CC3)c(Cl)c2)cc1	ZINC000216838398	569879699	/nfs/dbraw/zinc/87/96/99/569879699.db2.gz	UDLBMHKGWNQNEV-UHFFFAOYSA-N	0	3	467.975	2.739	40	70		JFIBHN
Cn1c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c(O)c1CN1CC[C@H](c2ccccc2)C1	ZINC000217565113	569880328	/nfs/dbraw/zinc/88/03/28/569880328.db2.gz	VPEVQZDQRBMPRM-ACIOBRDBSA-N	0	3	486.616	2.861	40	70		JFIBHN
CN1CCC(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000216799639	569879435	/nfs/dbraw/zinc/87/94/35/569879435.db2.gz	XYLAXGLAXZPDTG-UHFFFAOYSA-N	0	3	472.449	2.983	40	70		JFIBHN
COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)NC1CCN(C)CC1)Cc1ccccc1	ZINC000216815359	569879515	/nfs/dbraw/zinc/87/95/15/569879515.db2.gz	MWFYACLAHTUMHF-UHFFFAOYSA-N	0	3	466.003	2.750	40	70		JFIBHN
CCOc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1	ZINC000216813627	569879529	/nfs/dbraw/zinc/87/95/29/569879529.db2.gz	IIAYBTUXYAYTNJ-UHFFFAOYSA-N	0	3	475.611	2.808	40	70		JFIBHN
CN1CCC(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000216819167	569879609	/nfs/dbraw/zinc/87/96/09/569879609.db2.gz	WOTDNZCGQAQEOJ-FQEVSTJZSA-N	0	3	480.428	2.549	40	70		JFIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000044201890	563171959	/nfs/dbraw/zinc/17/19/59/563171959.db2.gz	MHFIVUKREFWNBG-UHFFFAOYSA-N	0	3	469.926	2.642	40	70		JFIBHN
CN1CCC(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)CC1	ZINC000216799293	569879375	/nfs/dbraw/zinc/87/93/75/569879375.db2.gz	WFXQADKIYSCZHR-UHFFFAOYSA-N	0	3	480.428	2.850	40	70		JFIBHN