smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc(C)c(CC(=O)NCc2nnc3n2CCC3)c(=O)[n-]1	ZINC000218748962	545940501	/nfs/dbraw/zinc/94/05/01/545940501.db2.gz	PKBMKTVQIADXRF-UHFFFAOYSA-N	-1	3	316.365	0.037	50	70		DCIAHM
CN1CCC(N2CCN(C(=O)c3ccncc3[O-])CC2)CC1	ZINC000217719805	395840358	/nfs/dbraw/zinc/84/03/58/395840358.db2.gz	XSJLCYSUNDJLDR-UHFFFAOYSA-N	-1	3	304.394	0.639	50	70		DCIAHM
Cc1nc(CN2CCCn3nc([C@H](O)CO)cc3C2)cc(=O)[n-]1	ZINC000217936817	395840417	/nfs/dbraw/zinc/84/04/17/395840417.db2.gz	LARRPBXEIYPXME-CQSZACIVSA-N	-1	3	319.365	0.119	50	70		DCIAHM
CCc1noc([C@@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)n1	ZINC000217355418	395838603	/nfs/dbraw/zinc/83/86/03/395838603.db2.gz	LPYNSDPMIRMTBD-MRVPVSSYSA-N	-1	3	305.338	0.752	50	70		DCIAHM
COc1ccc2[nH]c(C(=O)NCc3c[nH]c(=O)[n-]c3=O)cc2c1	ZINC000217151889	563712981	/nfs/dbraw/zinc/71/29/81/563712981.db2.gz	PEQIXIJIBMONGS-UHFFFAOYSA-N	-1	3	314.301	0.483	50	70		DCIAHM
Cc1nc(C)c(CC(=O)NCCCc2csc(N)n2)c(=O)[n-]1	ZINC000217591852	395839177	/nfs/dbraw/zinc/83/91/77/395839177.db2.gz	SPPDRVSCRHMYBA-UHFFFAOYSA-N	-1	3	321.406	0.717	50	70		DCIAHM
CCCc1nc(CN(CC)C(=O)c2cn(C)c(=O)[n-]c2=O)no1	ZINC000218389350	395842788	/nfs/dbraw/zinc/84/27/88/395842788.db2.gz	RRKDNYAMXFPISV-UHFFFAOYSA-N	-1	3	321.337	0.071	50	70		DCIAHM
Nc1cc(=O)[n-]c(CCNC(=O)[C@H](O)c2ccccc2Cl)n1	ZINC000217408515	395838609	/nfs/dbraw/zinc/83/86/09/395838609.db2.gz	TZXAFPDLPFRADQ-CYBMUJFWSA-N	-1	3	322.752	0.810	50	70		DCIAHM
Cc1cc(=O)c([O-])c([C@H](CC(N)=O)c2cnn3cccnc23)o1	ZINC000218344582	395842169	/nfs/dbraw/zinc/84/21/69/395842169.db2.gz	RNBAOHPSVAHFBK-SECBINFHSA-N	-1	3	314.301	0.704	50	70		DCIAHM
Cc1nc2ccc([O-])cc2c(=O)n1CC(=O)Nc1nc[nH]n1	ZINC000218559602	337383663	/nfs/dbraw/zinc/38/36/63/337383663.db2.gz	XUXQXHAMSLDUOS-UHFFFAOYSA-N	-1	3	300.278	0.167	50	70		DCIAHM
Nc1cc(=O)[n-]c(CCNC(=O)[C@@H](O)c2ccccc2Cl)n1	ZINC000217408446	395838599	/nfs/dbraw/zinc/83/85/99/395838599.db2.gz	TZXAFPDLPFRADQ-ZDUSSCGKSA-N	-1	3	322.752	0.810	50	70		DCIAHM
CCc1noc([C@H](C)NC(=O)Cc2c(C)nc(C)[n-]c2=O)n1	ZINC000217355487	395838452	/nfs/dbraw/zinc/83/84/52/395838452.db2.gz	LPYNSDPMIRMTBD-QMMMGPOBSA-N	-1	3	305.338	0.752	50	70		DCIAHM
Cc1nc2c(s1)CCC[C@H]2NC(=O)CN1CC(=O)[N-]C1=O	ZINC000218236611	395842084	/nfs/dbraw/zinc/84/20/84/395842084.db2.gz	XSNHVDLFIRKOSJ-MRVPVSSYSA-N	-1	3	308.363	0.497	50	70		DCIAHM
O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1N1CCCC1)c1ncccc1[O-]	ZINC000218281968	284265414	/nfs/dbraw/zinc/26/54/14/284265414.db2.gz	ZLPUNWPUXBWSLN-DZGBDDFRSA-N	-1	3	303.362	0.769	50	70		DCIAHM
CS(=O)(=O)Nc1cccc(NC(=O)c2cc(=O)[n-]cn2)c1	ZINC000217793906	395840722	/nfs/dbraw/zinc/84/07/22/395840722.db2.gz	JJEVTBPRCCXBFU-UHFFFAOYSA-N	-1	3	308.319	0.394	50	70		DCIAHM
O=C(CC[C@@H]1NC(=O)[N-]C1=O)NCc1noc(C2CCCC2)n1	ZINC000218198279	395841954	/nfs/dbraw/zinc/84/19/54/395841954.db2.gz	OFIBHSHQRPIROP-VIFPVBQESA-N	-1	3	321.337	0.332	50	70		DCIAHM
Cc1ncc(CO)c(CN2CCCn3nc(CO)cc3C2)c1[O-]	ZINC000217937484	395840440	/nfs/dbraw/zinc/84/04/40/395840440.db2.gz	UIPAYWBQMRMTOV-UHFFFAOYSA-N	-1	3	318.377	0.683	50	70		DCIAHM
Cc1ccc(C(=O)NC[C@H]2CCN(S(C)(=O)=O)C2)c([O-])c1	ZINC000159554465	526181424	/nfs/dbraw/zinc/18/14/24/526181424.db2.gz	ZIVFOZCIZVXBDO-LLVKDONJSA-N	-1	3	312.391	0.712	50	70		DCIAHM
CCc1nccn1CCCNC(=O)Cc1c(C)nc(C)[n-]c1=O	ZINC000217892952	395840872	/nfs/dbraw/zinc/84/08/72/395840872.db2.gz	JQHVTEUHHDYAPK-UHFFFAOYSA-N	-1	3	317.393	0.895	50	70		DCIAHM
CCc1nc(S(=O)(=O)[N-][C@@H]2[C@@H](COC)[C@H]3OCC[C@@H]23)c[nH]1	ZINC000218670394	545940451	/nfs/dbraw/zinc/94/04/51/545940451.db2.gz	DGFSOCJPBBJDGP-FQPOAREZSA-N	-1	3	315.395	0.300	50	70		DCIAHM
CN(C(=O)c1nc2ccccc2c(=O)[n-]1)[C@@H]1CCS(=O)(=O)C1	ZINC000217211932	201512236	/nfs/dbraw/zinc/51/22/36/201512236.db2.gz	XDEGGNYPFNKZQW-SECBINFHSA-N	-1	3	321.358	0.182	50	70		DCIAHM
CC(C)Cc1cc(C(=O)NCCc2ncnn2C)[n-]c(=O)n1	ZINC000218384743	395842924	/nfs/dbraw/zinc/84/29/24/395842924.db2.gz	BLKIMGDEABCJHN-UHFFFAOYSA-N	-1	3	304.354	0.069	50	70		DCIAHM
COC[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccnn1C	ZINC000218223320	395842218	/nfs/dbraw/zinc/84/22/18/395842218.db2.gz	ZWBKRSFYMFSMTD-LBPRGKRZSA-N	-1	3	319.365	0.167	50	70		DCIAHM
CCc1nc(C)c(CC(=O)NCCc2ccncc2)c(=O)[n-]1	ZINC000217205881	416327634	/nfs/dbraw/zinc/32/76/34/416327634.db2.gz	XTDZGOFPXXMAPS-UHFFFAOYSA-N	-1	3	300.362	0.937	50	70		DCIAHM
C[C@@H](C(=O)NCc1c[nH]c(=O)[n-]c1=O)n1cnc2ccccc21	ZINC000217192553	416327622	/nfs/dbraw/zinc/32/76/22/416327622.db2.gz	RIHFZGYQFNBGES-VIFPVBQESA-N	-1	3	313.317	0.290	50	70		DCIAHM
Cc1nc2c(s1)CCC[C@H]2NC(=O)c1cn(C)c(=O)[n-]c1=O	ZINC000218069107	293426313	/nfs/dbraw/zinc/42/63/13/293426313.db2.gz	LBLBZZDIJPLRGH-SECBINFHSA-N	-1	3	320.374	0.646	50	70		DCIAHM
Cc1[nH]c2ccccc2c1CC(=O)NCc1c[nH]c(=O)[n-]c1=O	ZINC000217684069	395840147	/nfs/dbraw/zinc/84/01/47/395840147.db2.gz	BNAASLOVVNAJRN-UHFFFAOYSA-N	-1	3	312.329	0.712	50	70		DCIAHM
Cc1cc(=O)[n-]c(NCCNC(=O)c2[nH]nc3ccccc32)n1	ZINC000217571243	395839166	/nfs/dbraw/zinc/83/91/66/395839166.db2.gz	YWCXJLUMZQSAAJ-UHFFFAOYSA-N	-1	3	312.333	0.797	50	70		DCIAHM
Cc1ncc(CC(=O)N[C@@H]2COCC[C@@H]2OCC2CC2)c(=O)[n-]1	ZINC000218428083	395843189	/nfs/dbraw/zinc/84/31/89/395843189.db2.gz	FHMGURUGZSHXMG-KGLIPLIRSA-N	-1	3	321.377	0.321	50	70		DCIAHM
CCSCCC(=O)NCCn1[n-]c(=O)c2ccccc2c1=O	ZINC000218125981	395841334	/nfs/dbraw/zinc/84/13/34/395841334.db2.gz	GNCCZHBZDVEWNA-UHFFFAOYSA-N	-1	3	321.402	0.949	50	70		DCIAHM
O=S(=O)(Cc1ccccc1Cl)[N-][C@@H]1CCOC[C@H]1O	ZINC000218465623	395842985	/nfs/dbraw/zinc/84/29/85/395842985.db2.gz	VSJFFOCQNDBFLW-VXGBXAGGSA-N	-1	3	305.783	0.909	50	70		DCIAHM
Cc1nc2c(s1)CCC[C@@H]2NC(=O)c1cn(C)c(=O)[n-]c1=O	ZINC000218069039	416327604	/nfs/dbraw/zinc/32/76/04/416327604.db2.gz	LBLBZZDIJPLRGH-VIFPVBQESA-N	-1	3	320.374	0.646	50	70		DCIAHM
Cc1ccc(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)c([O-])c1	ZINC000159554329	526176114	/nfs/dbraw/zinc/17/61/14/526176114.db2.gz	ZIVFOZCIZVXBDO-NSHDSACASA-N	-1	3	312.391	0.712	50	70		DCIAHM
Cc1nc2c(s1)CCC[C@@H]2NC(=O)CN1CC(=O)[N-]C1=O	ZINC000218236590	395842318	/nfs/dbraw/zinc/84/23/18/395842318.db2.gz	XSNHVDLFIRKOSJ-QMMMGPOBSA-N	-1	3	308.363	0.497	50	70		DCIAHM
Cc1cc(=O)c([O-])c([C@@H](CC(N)=O)c2cnn3cccnc23)o1	ZINC000218344498	395842368	/nfs/dbraw/zinc/84/23/68/395842368.db2.gz	RNBAOHPSVAHFBK-VIFPVBQESA-N	-1	3	314.301	0.704	50	70		DCIAHM
Cc1nc(C)n(CCCNC(=O)Cc2c(C)nc(C)[n-]c2=O)n1	ZINC000218714405	545940735	/nfs/dbraw/zinc/94/07/35/545940735.db2.gz	KHZVTEXZDKEEPF-UHFFFAOYSA-N	-1	3	318.381	0.344	50	70		DCIAHM
CSc1ncc(C(=O)NCCc2cc(=O)[n-]c(C)n2)cn1	ZINC000218579323	257273914	/nfs/dbraw/zinc/27/39/14/257273914.db2.gz	KAHRRHCJKDKEQN-UHFFFAOYSA-N	-1	3	305.363	0.975	50	70		DCIAHM
CCc1nc(C)ccc1OCC(=O)NCc1c[nH]c(=O)[n-]c1=O	ZINC000217398064	395838708	/nfs/dbraw/zinc/83/87/08/395838708.db2.gz	JFCWXFZGBYLLBG-UHFFFAOYSA-N	-1	3	318.333	0.024	50	70		DCIAHM
COC[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccnn1C	ZINC000218223243	395842015	/nfs/dbraw/zinc/84/20/15/395842015.db2.gz	ZWBKRSFYMFSMTD-GFCCVEGCSA-N	-1	3	319.365	0.167	50	70		DCIAHM
C[C@H](C(=O)NCc1c[nH]c(=O)[n-]c1=O)n1cnc2ccccc21	ZINC000217192559	416327641	/nfs/dbraw/zinc/32/76/41/416327641.db2.gz	RIHFZGYQFNBGES-SECBINFHSA-N	-1	3	313.317	0.290	50	70		DCIAHM
Cc1nc(CN2CCCn3nc([C@@H](O)CO)cc3C2)cc(=O)[n-]1	ZINC000217936741	395840991	/nfs/dbraw/zinc/84/09/91/395840991.db2.gz	LARRPBXEIYPXME-AWEZNQCLSA-N	-1	3	319.365	0.119	50	70		DCIAHM
O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1ccc(N2CC(=O)[N-]C2=O)cc1	ZINC000218504478	395842782	/nfs/dbraw/zinc/84/27/82/395842782.db2.gz	FCQBZZFQNHKUQE-AGIUHOORSA-N	-1	3	315.329	0.650	50	70		DCIAHM