smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2c(c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@]13CC[N@@H+](C)[C@@H](C2)[C@H]1CCC1(C3)OCCO1	ZINC000001705714	551689954	/nfs/dbraw/zinc/68/99/54/551689954.db2.gz	PLJWVESELALUGK-HHJKRLRDSA-N	1	1	511.531	4.345	40	5		KIBBMO
Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1[N+](=O)[O-]	ZINC000014277136	553509952	/nfs/dbraw/zinc/50/99/52/553509952.db2.gz	OLULBDYSMBKRGK-UHFFFAOYSA-N	1	1	507.591	4.491	40	5		KIBBMO
Cc1c(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cccc1[N+](=O)[O-]	ZINC000014277139	553509935	/nfs/dbraw/zinc/50/99/35/553509935.db2.gz	DWOJCUOOAQNKTQ-UHFFFAOYSA-N	1	1	507.591	4.491	40	5		KIBBMO
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022844024	553759876	/nfs/dbraw/zinc/75/98/76/553759876.db2.gz	LEMGOWCCQBCXCL-UHFFFAOYSA-N	1	1	519.577	4.145	40	5		KIBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21	ZINC000035852010	554083968	/nfs/dbraw/zinc/08/39/68/554083968.db2.gz	NGFOLCMPKJGNRL-VIBZAKEUSA-N	1	1	522.561	4.226	40	5		KIBBMO
Cc1ccc2c(c1C)NC(=O)[C@@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21	ZINC000035852011	554083908	/nfs/dbraw/zinc/08/39/08/554083908.db2.gz	NGFOLCMPKJGNRL-MYZUJYNPSA-N	1	1	522.561	4.226	40	5		KIBBMO
Cc1ccc2c(c1C)NC(=O)[C@]21C(C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2CCC[N@H+]21	ZINC000035852012	554083942	/nfs/dbraw/zinc/08/39/42/554083942.db2.gz	NGFOLCMPKJGNRL-UOSAEKHLSA-N	1	1	522.561	4.226	40	5		KIBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]12C(=O)Nc1ccccc12	ZINC000035877093	554087843	/nfs/dbraw/zinc/08/78/43/554087843.db2.gz	LHMBYHDQQLQZIV-FGMVWKIJSA-N	1	1	522.561	4.172	40	5		KIBBMO
COc1ccc(C(=O)NC(=S)Nc2ccc(N3CC[NH+](Cc4ccccc4F)CC3)cc2)cc1[N+](=O)[O-]	ZINC000059331795	554391350	/nfs/dbraw/zinc/39/13/50/554391350.db2.gz	ARHBOHVIEMIKFK-UHFFFAOYSA-N	1	1	523.590	4.192	40	5		KIBBMO
C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000059331813	554391617	/nfs/dbraw/zinc/39/16/17/554391617.db2.gz	QOPXDCKNMKOAJL-UHFFFAOYSA-N	1	1	517.055	4.117	40	5		KIBBMO
CC[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000059331818	554391555	/nfs/dbraw/zinc/39/15/55/554391555.db2.gz	RWPZXEMDJYOQKK-UHFFFAOYSA-N	1	1	517.055	4.117	40	5		KIBBMO
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000059331952	554392497	/nfs/dbraw/zinc/39/24/97/554392497.db2.gz	MKFPSXQCHDWDTN-UHFFFAOYSA-N	1	1	519.577	4.145	40	5		KIBBMO
CCc1ccc2c(c1)[C@@]1(C(=O)N2)[N@H+]2CCC[C@@H]2[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]12C(=O)Nc1ccccc12	ZINC000064097930	554510711	/nfs/dbraw/zinc/51/07/11/554510711.db2.gz	LHMBYHDQQLQZIV-JDZJWIEASA-N	1	1	522.561	4.172	40	5		KIBBMO
O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000105318342	571400827	/nfs/dbraw/zinc/40/08/27/571400827.db2.gz	CXVYTGQFFVKMOY-UHFFFAOYSA-N	1	1	578.670	4.020	40	5		KIBBMO
O=C(NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000112244027	571435503	/nfs/dbraw/zinc/43/55/03/571435503.db2.gz	YSECNAWFSZAGJS-UHFFFAOYSA-N	1	1	578.670	4.020	40	5		KIBBMO