smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@@H]1CN(C)CCO1	ZINC000174750410	532077102	/nfs/dbraw/zinc/07/71/02/532077102.db2.gz	YFWNJANNMHUAPJ-CQSZACIVSA-N	-1	3	386.290	2.017	10	10		GECEHM
CC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]21	ZINC000004581028	204055803	/nfs/dbraw/zinc/05/58/03/204055803.db2.gz	NTAYQQFNWIOEMY-VDNWNZSNSA-N	-1	3	394.427	2.071	10	10		GECEHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)NC[C@H]1CN(C)CCO1	ZINC000174750419	532076900	/nfs/dbraw/zinc/07/69/00/532076900.db2.gz	YFWNJANNMHUAPJ-AWEZNQCLSA-N	-1	3	386.290	2.017	10	10		GECEHM
COc1cc(Br)cc(CN2CCOC[C@H]2c2nc(C)no2)c1[O-]	ZINC000188472747	532348384	/nfs/dbraw/zinc/34/83/84/532348384.db2.gz	OGHILCSSZGJVQT-LBPRGKRZSA-N	-1	3	384.230	2.428	10	10		GECEHM
O=C(NN1C(=O)/C(=C2/C(=O)Nc3ccccc32)SC1=S)c1ccc([O-])cc1	ZINC000005776071	204151030	/nfs/dbraw/zinc/15/10/30/204151030.db2.gz	TXOQLRBTPDYJJU-YPKPFQOOSA-N	-1	3	397.437	2.261	10	10		GECEHM
COC(=O)c1ccc(/C=C2\SC(=S)N([N-]C(=O)c3ccncc3)C2=O)cc1	ZINC000040867636	205073947	/nfs/dbraw/zinc/07/39/47/205073947.db2.gz	JBOCDZSFGOUKBC-UVTDQMKNSA-N	-1	3	399.453	2.414	10	10		GECEHM
COc1cc(Br)cc(CN2CCOC[C@@H]2c2nc(C)no2)c1[O-]	ZINC000188472768	532348413	/nfs/dbraw/zinc/34/84/13/532348413.db2.gz	OGHILCSSZGJVQT-GFCCVEGCSA-N	-1	3	384.230	2.428	10	10		GECEHM
CC[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000018212591	207096138	/nfs/dbraw/zinc/09/61/38/207096138.db2.gz	NTAYQQFNWIOEMY-SUWCGCSTSA-N	-1	3	394.427	2.071	10	10		GECEHM
CC[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000019848870	207166014	/nfs/dbraw/zinc/16/60/14/207166014.db2.gz	YLERWQOEHNKWDH-DLRJPAPCSA-N	-1	3	380.400	2.076	10	10		GECEHM
CN1CCN(C2=NC(=O)/C(=C\c3cc(Br)ccc3[O-])S2)CC1	ZINC000020220128	207184318	/nfs/dbraw/zinc/18/43/18/207184318.db2.gz	MRVHXAKCDVGREZ-UKTHLTGXSA-N	-1	3	382.283	2.372	10	10		GECEHM
CN(C)c1ccc([C@@H]2[C@H](S(=O)(=O)[N-]CCc3ccccc3)CON2C)cc1	ZINC000034738688	570329376	/nfs/dbraw/zinc/32/93/76/570329376.db2.gz	VVCSUKNPSFZKDB-WOJBJXKFSA-N	-1	3	389.521	2.201	10	10		GECEHM
CN(C)c1ccc([C@H]2[C@@H](S(=O)(=O)[N-]CCc3ccccc3)CON2C)cc1	ZINC000105049451	570913726	/nfs/dbraw/zinc/91/37/26/570913726.db2.gz	VVCSUKNPSFZKDB-PMACEKPBSA-N	-1	3	389.521	2.201	10	10		GECEHM
CN(C)c1ccc([C@@H]2[C@@H](S(=O)(=O)[N-]CCc3ccccc3)CON2C)cc1	ZINC000105049453	570914017	/nfs/dbraw/zinc/91/40/17/570914017.db2.gz	VVCSUKNPSFZKDB-VQTJNVASSA-N	-1	3	389.521	2.201	10	10		GECEHM
COc1cc(Br)cc(CN2CCO[C@@H](c3nnc(C)[nH]3)C2)c1[O-]	ZINC000180106127	532258347	/nfs/dbraw/zinc/25/83/47/532258347.db2.gz	GPPYYMQTIJQLHA-CYBMUJFWSA-N	-1	3	383.246	2.163	10	10		GECEHM
COc1cc(Br)cc(CN2CCO[C@H](c3nnc(C)[nH]3)C2)c1[O-]	ZINC000180106111	532258000	/nfs/dbraw/zinc/25/80/00/532258000.db2.gz	GPPYYMQTIJQLHA-ZDUSSCGKSA-N	-1	3	383.246	2.163	10	10		GECEHM
CC[C@@]1(C(=O)[O-])[NH2+][C@@H](c2ccccc2[O-])[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]21	ZINC000019848875	210301205	/nfs/dbraw/zinc/30/12/05/210301205.db2.gz	NTAYQQFNWIOEMY-RQXXJAGISA-N	-1	3	394.427	2.071	10	10		GECEHM
N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SC(CC(=O)N3CCCCC3)=NN21	ZINC000102542410	212071871	/nfs/dbraw/zinc/07/18/71/212071871.db2.gz	BRDPHEIXJFRQCD-IUUVDYQKSA-N	-1	3	397.460	2.414	10	10		GECEHM
COc1cc(/C=C2\SC(=S)N(CCO)C2=O)cc(Br)c1[O-]	ZINC000080343740	643064466	/nfs/dbraw/zinc/06/44/66/643064466.db2.gz	PWBQFWFINWHAEJ-POHAHGRESA-N	-1	3	390.280	2.357	10	10		GECEHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@@H]1CCc2ncnn2C1	ZINC000175123750	532090060	/nfs/dbraw/zinc/09/00/60/532090060.db2.gz	HCURUSNJVBJMKI-CYBMUJFWSA-N	-1	3	394.273	2.293	10	10		GECEHM
CCN(Cc1cc(Br)ccc1[O-])C(=O)N[C@H]1CCc2ncnn2C1	ZINC000175123768	532090624	/nfs/dbraw/zinc/09/06/24/532090624.db2.gz	HCURUSNJVBJMKI-ZDUSSCGKSA-N	-1	3	394.273	2.293	10	10		GECEHM
O=C(NN1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S)c1ccccc1[O-]	ZINC000016929889	221374095	/nfs/dbraw/zinc/37/40/95/221374095.db2.gz	KYZLHJUAYNVQJC-ZSOIEALJSA-N	-1	3	388.426	2.350	10	10		GECEHM
CN(C)c1ccc([C@H]2[C@H](S(=O)(=O)[N-]CCc3ccccc3)CON2C)cc1	ZINC000034738689	570329336	/nfs/dbraw/zinc/32/93/36/570329336.db2.gz	VVCSUKNPSFZKDB-UXHICEINSA-N	-1	3	389.521	2.201	10	10		GECEHM