smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@H](O)c1cc2n(n1)CCN(C(=O)c1[n-]c(=O)nc3ccccc31)C2	ZINC000217735485	241272564	/nfs/dbraw/zinc/27/25/64/241272564.db2.gz	WZMAHVGFSMJLNY-JTQLQIEISA-N	-1	3	339.355	0.829	50	70		ECIAHM
Cc1cc(=O)[n-]c(CCNC(=O)[C@H](O)COc2ccccc2C)n1	ZINC000218377440	241317376	/nfs/dbraw/zinc/31/73/76/241317376.db2.gz	PTAGWJQJSMZQAH-CYBMUJFWSA-N	-1	3	331.372	0.485	50	70		ECIAHM
CS(=O)(=O)N1CCN(C(=O)c2c[n-]c3ccccc3c2=O)CC1	ZINC000218391690	241319545	/nfs/dbraw/zinc/31/95/45/241319545.db2.gz	WOYXHXXCSZQOKP-UHFFFAOYSA-N	-1	3	335.385	0.658	50	70		ECIAHM
CC[C@@H](C)[C@@H](CO)NC(=O)CCc1c(C)[nH]c2cc(=O)[n-]n2c1=O	ZINC000218528570	535651151	/nfs/dbraw/zinc/65/11/51/535651151.db2.gz	HYNYKFOMMSWFBJ-BXKDBHETSA-N	-1	3	336.392	0.080	50	70		ECIAHM
C[C@@H](O)c1cc2n(n1)CCCN(Cc1nc3c(cnn3C)c(=O)[n-]1)C2	ZINC000217517072	241254377	/nfs/dbraw/zinc/25/43/77/241254377.db2.gz	SQUBPHPJXZLVEY-SNVBAGLBSA-N	-1	3	343.391	0.312	50	70		ECIAHM
Cn1cc(C(=O)NCCCc2nc3ccccc3o2)c(=O)[n-]c1=O	ZINC000218707621	241338262	/nfs/dbraw/zinc/33/82/62/241338262.db2.gz	SJWRCZCBUIELPI-UHFFFAOYSA-N	-1	3	328.328	0.577	50	70		ECIAHM
CC(C)(O)CCc1cccc(C(=O)NCc2c[nH]c(=O)[n-]c2=O)c1	ZINC000218063366	535294471	/nfs/dbraw/zinc/29/44/71/535294471.db2.gz	GTRKCNIBFYFMAR-UHFFFAOYSA-N	-1	3	331.372	0.697	50	70		ECIAHM
Cc1cc(=O)[n-]c(CCNC(=O)c2n[nH]c(=O)c3ccccc32)n1	ZINC000217199703	241240830	/nfs/dbraw/zinc/24/08/30/241240830.db2.gz	OEMUBTHIULJXCB-UHFFFAOYSA-N	-1	3	325.328	0.287	50	70		ECIAHM
Cc1cc(=O)[n-]c(CCNC(=O)c2ccccc2N2CCOCC2)n1	ZINC000218545919	241330442	/nfs/dbraw/zinc/33/04/42/241330442.db2.gz	RVBMDYVUPFQLEX-UHFFFAOYSA-N	-1	3	342.399	0.887	50	70		ECIAHM
CC(C)N1C[C@@H](NC(=O)c2ccc(-n3cnnn3)cc2[O-])CC1=O	ZINC000218393161	241319896	/nfs/dbraw/zinc/31/98/96/241319896.db2.gz	SLVNOCDIBGUBNA-JTQLQIEISA-N	-1	3	330.348	0.107	50	70		ECIAHM
Cc1nccn1-c1ccc(CNC(=O)CN2CC(=O)[N-]C2=O)cc1	ZINC000217142469	241238457	/nfs/dbraw/zinc/23/84/57/241238457.db2.gz	XVXZLRHAUSDMOX-UHFFFAOYSA-N	-1	3	327.344	0.349	50	70		ECIAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@H](O)c2ccc(Cl)cc2)n1	ZINC000216926054	241225189	/nfs/dbraw/zinc/22/51/89/241225189.db2.gz	QWYYIONEDQVPTC-CYBMUJFWSA-N	-1	3	336.779	0.993	50	70		ECIAHM
CC(C)c1nc(S(=O)(=O)[N-]CC[C@H](O)C2CCOCC2)cn1C	ZINC000217926407	241284150	/nfs/dbraw/zinc/28/41/50/241284150.db2.gz	JBOMGFQMGPEWRO-ZDUSSCGKSA-N	-1	3	345.465	0.999	50	70		ECIAHM
COc1cccc(N2CCN(C(=O)c3cnc(C)[n-]c3=O)CC2=O)c1	ZINC000217193742	241240206	/nfs/dbraw/zinc/24/02/06/241240206.db2.gz	IHOQYTDEUYZSQJ-UHFFFAOYSA-N	-1	3	342.355	0.576	50	70		ECIAHM
COCc1nc(NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)n[n-]1	ZINC000217867059	241281872	/nfs/dbraw/zinc/28/18/72/241281872.db2.gz	PNGFUVZQWBPHPX-JTQLQIEISA-N	-1	3	344.331	0.030	50	70		ECIAHM
Cn1cc(C(=O)N2CCC(Oc3cccc(F)c3)CC2)c(=O)[n-]c1=O	ZINC000217695873	241270218	/nfs/dbraw/zinc/27/02/18/241270218.db2.gz	WICXJIXQQSOAAK-UHFFFAOYSA-N	-1	3	347.346	0.896	50	70		ECIAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@H](CCn1cncn1)c1ccccc1	ZINC000217209530	241240254	/nfs/dbraw/zinc/24/02/54/241240254.db2.gz	NIIBTPKJIFEYOC-CYBMUJFWSA-N	-1	3	342.359	0.078	50	70		ECIAHM
CC(C)n1cnc(S(=O)(=O)[N-]CC[C@H](O)C2CCOCC2)c1	ZINC000217926205	241282844	/nfs/dbraw/zinc/28/28/44/241282844.db2.gz	ZQUUMNBFIOQAKR-ZDUSSCGKSA-N	-1	3	331.438	0.920	50	70		ECIAHM
Nc1nc(N2CCN(C(=O)c3cc4sccc4[nH]3)CC2)cc(=O)[n-]1	ZINC000218141433	241300510	/nfs/dbraw/zinc/30/05/10/241300510.db2.gz	JVORAXLSOBEIHM-UHFFFAOYSA-N	-1	3	344.400	0.857	50	70		ECIAHM
COC[C@@](C)(O)C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C	ZINC000217572220	536812301	/nfs/dbraw/zinc/81/23/01/536812301.db2.gz	DATCSLHSMNARMP-CQDKDKBSSA-N	-1	3	333.450	0.699	50	70		ECIAHM
Cc1cn2cc(C(=O)NCCNc3nc(C)cc(=O)[n-]3)ccc2n1	ZINC000218284636	241310796	/nfs/dbraw/zinc/31/07/96/241310796.db2.gz	GLBVWHMSHNWXGM-UHFFFAOYSA-N	-1	3	326.360	0.876	50	70		ECIAHM
Cc1cc(=O)[n-]c(NCCNC(=O)[C@@H](O)c2ccc(Cl)cc2)n1	ZINC000216926026	241225857	/nfs/dbraw/zinc/22/58/57/241225857.db2.gz	QWYYIONEDQVPTC-ZDUSSCGKSA-N	-1	3	336.779	0.993	50	70		ECIAHM
CSCc1ccc(C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)o1	ZINC000218250082	545920980	/nfs/dbraw/zinc/92/09/80/545920980.db2.gz	IXYMOVZURDCQSC-UHFFFAOYSA-N	-1	3	349.416	0.771	50	70		ECIAHM
C[C@H](O)c1cc2n(n1)CCCN(Cc1nc3c(cnn3C)c(=O)[n-]1)C2	ZINC000217517139	241254085	/nfs/dbraw/zinc/25/40/85/241254085.db2.gz	SQUBPHPJXZLVEY-JTQLQIEISA-N	-1	3	343.391	0.312	50	70		ECIAHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CC1=CSC3=NCCN13)CC2	ZINC000217025202	241232457	/nfs/dbraw/zinc/23/24/57/241232457.db2.gz	VMERHOILHWIQRY-UHFFFAOYSA-N	-1	3	345.428	0.655	50	70		ECIAHM
Cc1nc(C)c(CC(=O)NCc2nnc(-c3ccncc3)[nH]2)c(=O)[n-]1	ZINC000218220156	241305105	/nfs/dbraw/zinc/30/51/05/241305105.db2.gz	GHHVYMNPLNREEQ-UHFFFAOYSA-N	-1	3	339.359	0.426	50	70		ECIAHM
CC(C)N1C[C@H](NC(=O)c2ccc(-n3cnnn3)cc2[O-])CC1=O	ZINC000218393243	535264060	/nfs/dbraw/zinc/26/40/60/535264060.db2.gz	SLVNOCDIBGUBNA-SNVBAGLBSA-N	-1	3	330.348	0.107	50	70		ECIAHM
Cc1nc(CNC(=O)[C@H](c2ccccc2)n2cnnn2)cc(=O)[n-]1	ZINC000218460368	241323912	/nfs/dbraw/zinc/32/39/12/241323912.db2.gz	PTJSKEFYZBTUQN-AWEZNQCLSA-N	-1	3	325.332	0.383	50	70		ECIAHM
CC(=O)N1CC(Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)=CC1=O	ZINC000218512557	241328469	/nfs/dbraw/zinc/32/84/69/241328469.db2.gz	YVDNKGOPZDFXMD-INIZCTEOSA-N	-1	3	328.328	0.426	50	70		ECIAHM
CS(=O)(=O)[N-]c1cccc2c1ccn2CC(=O)N1CCOCC1	ZINC000218169871	241304183	/nfs/dbraw/zinc/30/41/83/241304183.db2.gz	DMAIYROILQVAHR-UHFFFAOYSA-N	-1	3	337.401	0.872	50	70		ECIAHM
O=C(NCc1c[nH]c(=O)[n-]c1=O)C1CCN(Cc2ccco2)CC1	ZINC000217726931	241272496	/nfs/dbraw/zinc/27/24/96/241272496.db2.gz	UMBWIELCXQTEEQ-UHFFFAOYSA-N	-1	3	332.360	0.185	50	70		ECIAHM
COCCNC(=O)Cn1ccc2c1cccc2[N-]S(C)(=O)=O	ZINC000218252723	241308271	/nfs/dbraw/zinc/30/82/71/241308271.db2.gz	DDJKHYIBAGUCFG-UHFFFAOYSA-N	-1	3	325.390	0.775	50	70		ECIAHM
CCc1nc(C)c(CC(=O)N2CCN(C3CCOCC3)CC2)c(=O)[n-]1	ZINC000218619088	241335373	/nfs/dbraw/zinc/33/53/73/241335373.db2.gz	QVLPQCICTJOHBQ-UHFFFAOYSA-N	-1	3	348.447	0.506	50	70		ECIAHM
CCn1nc(CNC(=O)c2cn(C)c(=O)[n-]c2=O)c2ccccc21	ZINC000218625501	241334902	/nfs/dbraw/zinc/33/49/02/241334902.db2.gz	YNTQQCDTTYXQKA-UHFFFAOYSA-N	-1	3	327.344	0.373	50	70		ECIAHM
CC(C)c1nc(S(=O)(=O)[N-]CC[C@@H](O)C2CCOCC2)cn1C	ZINC000217926485	241284162	/nfs/dbraw/zinc/28/41/62/241284162.db2.gz	JBOMGFQMGPEWRO-CYBMUJFWSA-N	-1	3	345.465	0.999	50	70		ECIAHM
Cc1cccc2c(=O)c(C(=O)N3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)c[n-]c12	ZINC000216998759	545920376	/nfs/dbraw/zinc/92/03/76/545920376.db2.gz	OSZBEKDYHZGLSZ-BETUJISGSA-N	-1	3	339.351	0.523	50	70		ECIAHM
Cc1cc(C)cc(CN2CCN(C(=O)c3cnc[n-]c3=O)CC2=O)c1	ZINC000217205918	241240663	/nfs/dbraw/zinc/24/06/63/241240663.db2.gz	YLEZLDSLRREATQ-UHFFFAOYSA-N	-1	3	340.383	0.871	50	70		ECIAHM
COc1ccc2oc(CNC(=O)CC[C@@H]3NC(=O)[N-]C3=O)nc2c1	ZINC000218489596	241325943	/nfs/dbraw/zinc/32/59/43/241325943.db2.gz	NSRUVBCPMZNMHW-VIFPVBQESA-N	-1	3	332.316	0.441	50	70		ECIAHM
CN(Cc1ccc(-n2cccn2)cc1)C(=O)c1cn(C)c(=O)[n-]c1=O	ZINC000217562235	241258815	/nfs/dbraw/zinc/25/88/15/241258815.db2.gz	NOWSGZBJOBLJRB-UHFFFAOYSA-N	-1	3	339.355	0.532	50	70		ECIAHM
Cn1cc(C(=O)N[C@@H]2[C@@H](C3CCCC3)[C@H]3OCC[C@@H]23)c(=O)[n-]c1=O	ZINC000218294886	241313714	/nfs/dbraw/zinc/31/37/14/241313714.db2.gz	QAQHGCCFSSTZRA-GHYVTOPFSA-N	-1	3	333.388	0.397	50	70		ECIAHM
C[C@@H](O)c1cc2n(n1)CCN(C(=O)c1[n-]c(=O)nc3ccccc31)C2	ZINC000217735402	241272280	/nfs/dbraw/zinc/27/22/80/241272280.db2.gz	WZMAHVGFSMJLNY-SNVBAGLBSA-N	-1	3	339.355	0.829	50	70		ECIAHM
CC(C)n1cnc(S(=O)(=O)[N-]CC[C@@H](O)C2CCOCC2)c1	ZINC000217926300	241283089	/nfs/dbraw/zinc/28/30/89/241283089.db2.gz	ZQUUMNBFIOQAKR-CYBMUJFWSA-N	-1	3	331.438	0.920	50	70		ECIAHM
COc1ccc(OC)c(CC(=O)NCCc2nc(C)cc(=O)[n-]2)c1	ZINC000218149525	241302417	/nfs/dbraw/zinc/30/24/17/241302417.db2.gz	YDLCPBHIRDIAEI-UHFFFAOYSA-N	-1	3	331.372	0.997	50	70		ECIAHM
Cc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)N(C)C)c([O-])c1	ZINC000218232798	545921106	/nfs/dbraw/zinc/92/11/06/545921106.db2.gz	JGQYZMVNGGYNTD-HIFRSBDPSA-N	-1	3	336.388	0.693	50	70		ECIAHM
Cc1cc(=O)[n-]c(CCNC(=O)[C@@H](O)COc2ccccc2C)n1	ZINC000218377359	241318132	/nfs/dbraw/zinc/31/81/32/241318132.db2.gz	PTAGWJQJSMZQAH-ZDUSSCGKSA-N	-1	3	331.372	0.485	50	70		ECIAHM
O=C(CN1CC(=O)[N-]C1=O)NCCc1nccc(-c2ccccc2)n1	ZINC000217979243	241288291	/nfs/dbraw/zinc/28/82/91/241288291.db2.gz	PTJCUTUXRRFTIA-UHFFFAOYSA-N	-1	3	339.355	0.354	50	70		ECIAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@@H](CCn1cncn1)c1ccccc1	ZINC000217209528	241240745	/nfs/dbraw/zinc/24/07/45/241240745.db2.gz	NIIBTPKJIFEYOC-ZDUSSCGKSA-N	-1	3	342.359	0.078	50	70		ECIAHM
Cc1nc(CNC(=O)[C@@H](c2ccccc2)n2cnnn2)cc(=O)[n-]1	ZINC000218460292	241324162	/nfs/dbraw/zinc/32/41/62/241324162.db2.gz	PTJSKEFYZBTUQN-CQSZACIVSA-N	-1	3	325.332	0.383	50	70		ECIAHM
O=C(CN1CC(=O)[N-]C1=O)N[C@@H]1[C@@H](Cc2ccccc2)[C@H]2OCC[C@@H]12	ZINC000218364558	241316870	/nfs/dbraw/zinc/31/68/70/241316870.db2.gz	BDBQUPAFYQBWTH-RMHZUWNSSA-N	-1	3	343.383	0.301	50	70		ECIAHM
O=C(CN1CC(=O)[N-]C1=O)NCc1ccccc1Cn1cccn1	ZINC000217592446	241261104	/nfs/dbraw/zinc/26/11/04/241261104.db2.gz	CNHVZTWNAJWYEJ-UHFFFAOYSA-N	-1	3	327.344	0.099	50	70		ECIAHM
CC(=O)N1CC(Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)=CC1=O	ZINC000218512488	241328998	/nfs/dbraw/zinc/32/89/98/241328998.db2.gz	YVDNKGOPZDFXMD-MRXNPFEDSA-N	-1	3	328.328	0.426	50	70		ECIAHM
CC(=O)c1ccc(C(=O)N2CCN(c3cc(=O)[n-]c(N)n3)CC2)s1	ZINC000218258196	241307458	/nfs/dbraw/zinc/30/74/58/241307458.db2.gz	BIPYESKTVLPYHP-UHFFFAOYSA-N	-1	3	347.400	0.579	50	70		ECIAHM
Cn1c(CCNC(=O)CC[C@@H]2NC(=O)[N-]C2=O)nc2ccccc21	ZINC000217792786	241275305	/nfs/dbraw/zinc/27/53/05/241275305.db2.gz	ZAMSDXYOWGWXKO-NSHDSACASA-N	-1	3	329.360	0.220	50	70		ECIAHM