smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCCNS(=O)(=O)c1ccc(OCC(=O)NC2CCN(C)CC2)cc1	ZINC000216834127	570307723	/nfs/dbraw/zinc/30/77/23/570307723.db2.gz	QXNRHWKQZPEVEQ-UHFFFAOYSA-N	0	3	385.486	0.201	40	70		GCIBHN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C1CCN(C)CC1	ZINC000216921531	570309578	/nfs/dbraw/zinc/30/95/78/570309578.db2.gz	BSAWSMVARBXFIQ-UHFFFAOYSA-N	0	3	397.497	0.996	40	70		GCIBHN
COc1ccc(NC(=O)C2CCN(C)CC2)cc1S(=O)(=O)N1CCOCC1	ZINC000216921497	570309510	/nfs/dbraw/zinc/30/95/10/570309510.db2.gz	UVAQXWISHPTKKU-UHFFFAOYSA-N	0	3	397.497	0.996	40	70		GCIBHN
C[C@@H](C(=O)NC1CCN(C)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000216945344	570309921	/nfs/dbraw/zinc/30/99/21/570309921.db2.gz	FTMGLFVAZGSNCZ-ZDUSSCGKSA-N	0	3	397.497	0.823	40	70		GCIBHN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@H]1CCCN(C)C1	ZINC000216911660	570309074	/nfs/dbraw/zinc/30/90/74/570309074.db2.gz	DNPSSBBTQVTIAH-AWEZNQCLSA-N	0	3	397.497	0.996	40	70		GCIBHN
CC[C@@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O	ZINC000217015542	570311016	/nfs/dbraw/zinc/31/10/16/570311016.db2.gz	BVQBUDXILXIFLL-SFHVURJKSA-N	0	3	396.557	0.985	40	70		GCIBHN
CN1CCN(CCCNC(=O)CCCN(c2ccccc2)S(C)(=O)=O)CC1	ZINC000217035573	570312536	/nfs/dbraw/zinc/31/25/36/570312536.db2.gz	LPORLMGQCKPZCZ-UHFFFAOYSA-N	0	3	396.557	0.987	40	70		GCIBHN
CN(C)CCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(C)CC2)c1	ZINC000216871957	530492535	/nfs/dbraw/zinc/49/25/35/530492535.db2.gz	WQGHCIQUCDMPTN-UHFFFAOYSA-N	0	3	388.921	0.568	40	70		GCIBHN
COc1ccc(S(=O)(=O)N[C@H](C)C(=O)NC2CCN(C)CC2)cc1OC	ZINC000216816804	570307564	/nfs/dbraw/zinc/30/75/64/570307564.db2.gz	MPOYMPMPLUAGRF-GFCCVEGCSA-N	0	3	385.486	0.581	40	70		GCIBHN
CN1CCC(NC(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	ZINC000216840845	570308225	/nfs/dbraw/zinc/30/82/25/570308225.db2.gz	MKEFDVIAMQRMGE-UHFFFAOYSA-N	0	3	395.525	0.851	40	70		GCIBHN
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)[C@@H]1CCCN(C)C1	ZINC000216911630	570309210	/nfs/dbraw/zinc/30/92/10/570309210.db2.gz	DNPSSBBTQVTIAH-CQSZACIVSA-N	0	3	397.497	0.996	40	70		GCIBHN
COc1ccc(N(CC(=O)NC2CCN(C)CC2)S(C)(=O)=O)c(OC)c1	ZINC000216935520	570309977	/nfs/dbraw/zinc/30/99/77/570309977.db2.gz	JHTCIERURKIBIJ-UHFFFAOYSA-N	0	3	385.486	0.680	40	70		GCIBHN
CN1CCC(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1	ZINC000216832762	570307882	/nfs/dbraw/zinc/30/78/82/570307882.db2.gz	VCXJVHJWIOBREF-UHFFFAOYSA-N	0	3	397.497	0.297	40	70		GCIBHN
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC2CCN(C)CC2)cc1OC	ZINC000216816760	570307907	/nfs/dbraw/zinc/30/79/07/570307907.db2.gz	MPOYMPMPLUAGRF-LBPRGKRZSA-N	0	3	385.486	0.581	40	70		GCIBHN
CC[C@H](C(=O)NCCCN1CCN(C)CC1)N(c1ccccc1)S(C)(=O)=O	ZINC000217015582	570311056	/nfs/dbraw/zinc/31/10/56/570311056.db2.gz	BVQBUDXILXIFLL-GOSISDBHSA-N	0	3	396.557	0.985	40	70		GCIBHN
CCS(=O)(=O)N(CC(=O)NC1CCN(C)CC1)c1ccc2c(c1)OCCO2	ZINC000216947581	570310207	/nfs/dbraw/zinc/31/02/07/570310207.db2.gz	QTMJSDUTFRMEJZ-UHFFFAOYSA-N	0	3	397.497	0.824	40	70		GCIBHN
C[C@H](C(=O)NC1CCN(C)CC1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O	ZINC000216945362	570310044	/nfs/dbraw/zinc/31/00/44/570310044.db2.gz	FTMGLFVAZGSNCZ-CYBMUJFWSA-N	0	3	397.497	0.823	40	70		GCIBHN
COc1cc(C(=O)NC2CCN(C)CC2)c(N(C)S(C)(=O)=O)cc1OC	ZINC000216843659	570308263	/nfs/dbraw/zinc/30/82/63/570308263.db2.gz	QJLUGHCAFBIHIV-UHFFFAOYSA-N	0	3	385.486	0.924	40	70		GCIBHN
COc1ccc(NC(=O)[C@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCOCC1	ZINC000216911505	570309223	/nfs/dbraw/zinc/30/92/23/570309223.db2.gz	UKLGPVRRGLLQRQ-AWEZNQCLSA-N	0	3	397.497	0.996	40	70		GCIBHN
CN(C)CCNC(=O)c1cc(S(=O)(=O)N2CCN(C)CC2)ccc1Cl	ZINC000216879663	530492548	/nfs/dbraw/zinc/49/25/48/530492548.db2.gz	WJIULQWBFLAKJV-UHFFFAOYSA-N	0	3	388.921	0.568	40	70		GCIBHN
COc1ccc(S(=O)(=O)N(C)CC(=O)NC2CCN(C)CC2)cc1OC	ZINC000216807306	570307363	/nfs/dbraw/zinc/30/73/63/570307363.db2.gz	GFJCLDJEHWYDMZ-UHFFFAOYSA-N	0	3	385.486	0.535	40	70		GCIBHN
COc1ccc(NC(=O)[C@@H]2CCCN(C)C2)cc1S(=O)(=O)N1CCOCC1	ZINC000216911479	570309031	/nfs/dbraw/zinc/30/90/31/570309031.db2.gz	UKLGPVRRGLLQRQ-CQSZACIVSA-N	0	3	397.497	0.996	40	70		GCIBHN