smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCCC1	ZINC000005340684	570557835	/nfs/dbraw/zinc/55/78/35/570557835.db2.gz	QSLLXAPBZQBHOX-SFHVURJKSA-N	0	3	375.517	0.684	50	10		GCCAHN
COCCN1C[C@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)CC1=O	ZINC000237128191	136191929	/nfs/dbraw/zinc/19/19/29/136191929.db2.gz	CINMNWZOGOFIHW-OAHLLOKOSA-N	0	3	378.448	0.346	50	10		GCCAHN
COc1ccc(N2CCN([C@H]3CCCN(Cc4cc(=O)[nH]c(=O)[nH]4)C3)CC2)cc1	ZINC000072172866	136167528	/nfs/dbraw/zinc/16/75/28/136167528.db2.gz	BQQPYXIZDXDHIW-SFHVURJKSA-N	0	3	399.495	0.858	50	10		GCCAHN
CC(C)S(=O)(=O)NCc1nnc2n1CC[N@@H+](Cc1ccccc1[O-])CC2	ZINC000012028460	1199519594	/nfs/dbraw/zinc/51/95/94/1199519594.db2.gz	JOLVDARNSZKJPI-UHFFFAOYSA-N	0	3	379.486	0.870	50	10		GCCAHN
CC(C)S(=O)(=O)NCc1nnc2n1CC[N@H+](Cc1ccccc1[O-])CC2	ZINC000012028460	1199519598	/nfs/dbraw/zinc/51/95/98/1199519598.db2.gz	JOLVDARNSZKJPI-UHFFFAOYSA-N	0	3	379.486	0.870	50	10		GCCAHN
CS(=O)(=O)N1CCCC[C@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1	ZINC000237360982	136192341	/nfs/dbraw/zinc/19/23/41/136192341.db2.gz	MHRUTVYBSMABMK-KRWDZBQOSA-N	0	3	398.504	0.666	50	10		GCCAHN
CN(C)c1ccc([C@H]2C(S(C)(=O)=O)C(=O)C(=O)N2CCNCCO)cc1	ZINC000035323652	570328339	/nfs/dbraw/zinc/32/83/39/570328339.db2.gz	FGUUDMGSSWBEHS-AWEZNQCLSA-N	0	3	383.470	0.032	50	10		GCCAHN
COc1ccc(N2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)cc1	ZINC000023652239	570368043	/nfs/dbraw/zinc/36/80/43/570368043.db2.gz	PZPNNXOAXAELAS-UHFFFAOYSA-N	0	3	387.484	0.791	50	10		GCCAHN
CN(C)c1ccc([C@@H]2C(S(C)(=O)=O)C(=O)C(=O)N2CCNCCO)cc1	ZINC000035323649	570328368	/nfs/dbraw/zinc/32/83/68/570328368.db2.gz	FGUUDMGSSWBEHS-CQSZACIVSA-N	0	3	383.470	0.032	50	10		GCCAHN
COc1ccc(N2CCN([C@@H]3CCCN(Cc4cc(=O)[nH]c(=O)[nH]4)C3)CC2)cc1	ZINC000072172865	136167454	/nfs/dbraw/zinc/16/74/54/136167454.db2.gz	BQQPYXIZDXDHIW-GOSISDBHSA-N	0	3	399.495	0.858	50	10		GCCAHN
COc1ccc(N2CCN(C(=O)CNC3(CCO)CCOCC3)CC2)cc1	ZINC000083947489	570981969	/nfs/dbraw/zinc/98/19/69/570981969.db2.gz	WVZPEGNWSXNSTN-UHFFFAOYSA-N	0	3	377.485	0.865	50	10		GCCAHN
CS(=O)(=O)N1CCC[C@@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1	ZINC000237361880	136192222	/nfs/dbraw/zinc/19/22/22/136192222.db2.gz	WEVJGPIZQNRCDP-MRXNPFEDSA-N	0	3	384.477	0.276	50	10		GCCAHN
COc1ccc(N2CCN(CCCNc3nn(C)c(=O)n(C)c3=O)CC2)cc1	ZINC000008706775	1200253258	/nfs/dbraw/zinc/25/32/58/1200253258.db2.gz	MPZDCCSHEQFZOW-UHFFFAOYSA-N	0	3	388.472	0.112	50	10		GCCAHN
CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C[C@H]3CCOC3)CC1)cc2=O	ZINC000079020480	222299517	/nfs/dbraw/zinc/29/95/17/222299517.db2.gz	QZTZIMZERJAICC-CQSZACIVSA-N	0	3	389.456	0.766	50	10		GCCAHN
CN(C)CCNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCCC1	ZINC000005340688	570557721	/nfs/dbraw/zinc/55/77/21/570557721.db2.gz	QSLLXAPBZQBHOX-GOSISDBHSA-N	0	3	375.517	0.684	50	10		GCCAHN
COCCN1C[C@@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)CC1=O	ZINC000237127950	136192033	/nfs/dbraw/zinc/19/20/33/136192033.db2.gz	CINMNWZOGOFIHW-HNNXBMFYSA-N	0	3	378.448	0.346	50	10		GCCAHN
CS(=O)(=O)N1CCC[C@@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1	ZINC000237380631	136192280	/nfs/dbraw/zinc/19/22/80/136192280.db2.gz	XQNBUPDZBBQHPQ-OAHLLOKOSA-N	0	3	398.504	0.523	50	10		GCCAHN
CS(=O)(=O)N1CCC[C@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1	ZINC000237362738	136192339	/nfs/dbraw/zinc/19/23/39/136192339.db2.gz	WEVJGPIZQNRCDP-INIZCTEOSA-N	0	3	384.477	0.276	50	10		GCCAHN
CS(=O)(=O)N1CCC[C@H](C(=O)NCc2ccc(N3CCNCC3)c(F)c2)C1	ZINC000237380822	136192313	/nfs/dbraw/zinc/19/23/13/136192313.db2.gz	XQNBUPDZBBQHPQ-HNNXBMFYSA-N	0	3	398.504	0.523	50	10		GCCAHN
CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCc1ccc(N2CCNCC2)c(F)c1	ZINC000237360137	136192236	/nfs/dbraw/zinc/19/22/36/136192236.db2.gz	MHRUTVYBSMABMK-QGZVFWFLSA-N	0	3	398.504	0.666	50	10		GCCAHN
CCOC(=O)c1cnn2c1[nH]c(CN1CCN(C[C@@H]3CCOC3)CC1)cc2=O	ZINC000079020473	222300444	/nfs/dbraw/zinc/30/04/44/222300444.db2.gz	QZTZIMZERJAICC-AWEZNQCLSA-N	0	3	389.456	0.766	50	10		GCCAHN