smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(CCl)Nc1cccnc1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1	ZINC001164790960	721424335	/nfs/dbraw/zinc/42/43/35/721424335.db2.gz	YTCLHEPFXDRDCP-STQMWFEESA-N	1	1	377.901	2.284	20	50		GEGDMO
C[N+](C)(C)CC(=O)NN=Cc1cc(Br)cc(Br)c1O	ZINC000916270865	717194333	/nfs/dbraw/zinc/19/43/33/717194333.db2.gz	RKDYNURBTULFQA-UHFFFAOYSA-O	1	1	394.087	2.074	20	50		GEGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000826446331	607348393	/nfs/dbraw/zinc/34/83/93/607348393.db2.gz	IAWAWKGYWLGFOY-QGZVFWFLSA-N	1	1	377.452	2.222	20	50		GEGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000826446687	607342264	/nfs/dbraw/zinc/34/22/64/607342264.db2.gz	UXKXZFNHDBLJRX-GOSISDBHSA-N	1	1	377.452	2.365	20	50		GEGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000826446687	607342266	/nfs/dbraw/zinc/34/22/66/607342266.db2.gz	UXKXZFNHDBLJRX-GOSISDBHSA-N	1	1	377.452	2.365	20	50		GEGDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164815663	720160520	/nfs/dbraw/zinc/16/05/20/720160520.db2.gz	IUPGABGNPWLZNA-JXFKEZNVSA-N	1	1	392.931	2.444	20	50		GEGDMO
O=C(CCl)Nc1ccc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)nc1	ZINC001164788903	721434250	/nfs/dbraw/zinc/43/42/50/721434250.db2.gz	UAQTXJYPNQQBGG-STQMWFEESA-N	1	1	377.901	2.284	20	50		GEGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1	ZINC000826446380	607345741	/nfs/dbraw/zinc/34/57/41/607345741.db2.gz	JNORLQZLOZCWSX-INIZCTEOSA-N	1	1	395.442	2.361	20	50		GEGDMO
C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000824498619	609317589	/nfs/dbraw/zinc/31/75/89/609317589.db2.gz	IYTAFLKMWAWCEX-UKRRQHHQSA-N	1	1	384.488	2.146	20	50		GEGDMO
O=C(NN=C1CC[NH+](CCC(F)(F)F)CC1)c1ccc(-c2nn[nH]n2)cc1	ZINC000826444833	609518003	/nfs/dbraw/zinc/51/80/03/609518003.db2.gz	WNALVOKKOKBJQP-UHFFFAOYSA-N	1	1	381.362	2.001	20	50		GEGDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164816275	720190860	/nfs/dbraw/zinc/19/08/60/720190860.db2.gz	KRQPFSSQGLSGCQ-UZLBHIALSA-N	1	1	392.931	2.444	20	50		GEGDMO
O=C(NN=C1CC[NH+](CCC(F)(F)F)CC1)c1cccc(-c2nn[nH]n2)c1	ZINC000826444764	609517678	/nfs/dbraw/zinc/51/76/78/609517678.db2.gz	SRRSYANGNBSVNM-UHFFFAOYSA-N	1	1	381.362	2.001	20	50		GEGDMO
O=C(CCl)Nc1cccnc1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164790952	721424323	/nfs/dbraw/zinc/42/43/23/721424323.db2.gz	YTCLHEPFXDRDCP-BETUJISGSA-N	1	1	377.901	2.284	20	50		GEGDMO
O=C(CCl)Nc1cccnc1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164790952	721424325	/nfs/dbraw/zinc/42/43/25/721424325.db2.gz	YTCLHEPFXDRDCP-BETUJISGSA-N	1	1	377.901	2.284	20	50		GEGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000826448209	607725175	/nfs/dbraw/zinc/72/51/75/607725175.db2.gz	MAEBQEISVGQLPI-KRWDZBQOSA-N	1	1	377.452	2.222	20	50		GEGDMO
CCC[N@H+]1CCC[C@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000825326846	607394285	/nfs/dbraw/zinc/39/42/85/607394285.db2.gz	FTOBOGUOORWTRL-ZDUSSCGKSA-N	1	1	383.378	2.203	20	50		GEGDMO
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000824498620	609317889	/nfs/dbraw/zinc/31/78/89/609317889.db2.gz	IYTAFLKMWAWCEX-ZFWWWQNUSA-N	1	1	384.488	2.146	20	50		GEGDMO
O=C(CCl)Nc1ccc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)nc1	ZINC001164788901	721433904	/nfs/dbraw/zinc/43/39/04/721433904.db2.gz	UAQTXJYPNQQBGG-CHWSQXEVSA-N	1	1	377.901	2.284	20	50		GEGDMO
N#CC1=CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)CC1	ZINC000826380753	609474977	/nfs/dbraw/zinc/47/49/77/609474977.db2.gz	LRTKUJIFJYVRQI-UHFFFAOYSA-N	1	1	383.481	2.291	20	50		GEGDMO
N#CC1=CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCCC3)CC1	ZINC000826380753	609474979	/nfs/dbraw/zinc/47/49/79/609474979.db2.gz	LRTKUJIFJYVRQI-UHFFFAOYSA-N	1	1	383.481	2.291	20	50		GEGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000826448275	607714543	/nfs/dbraw/zinc/71/45/43/607714543.db2.gz	OSFGYQMGCSANTF-GOSISDBHSA-N	1	1	377.452	2.365	20	50		GEGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000826448275	607714545	/nfs/dbraw/zinc/71/45/45/607714545.db2.gz	OSFGYQMGCSANTF-GOSISDBHSA-N	1	1	377.452	2.365	20	50		GEGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000826448276	607714721	/nfs/dbraw/zinc/71/47/21/607714721.db2.gz	OSFGYQMGCSANTF-SFHVURJKSA-N	1	1	377.452	2.365	20	50		GEGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000826448276	607714723	/nfs/dbraw/zinc/71/47/23/607714723.db2.gz	OSFGYQMGCSANTF-SFHVURJKSA-N	1	1	377.452	2.365	20	50		GEGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1	ZINC000826448105	607722034	/nfs/dbraw/zinc/72/20/34/607722034.db2.gz	IUJNRAKGGSXYPK-MRXNPFEDSA-N	1	1	395.442	2.361	20	50		GEGDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164816274	720190217	/nfs/dbraw/zinc/19/02/17/720190217.db2.gz	KRQPFSSQGLSGCQ-OXQOHEQNSA-N	1	1	392.931	2.444	20	50		GEGDMO
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000823954099	609515815	/nfs/dbraw/zinc/51/58/15/609515815.db2.gz	YZZJFNBHBMWMCA-LJQANCHMSA-N	1	1	389.463	2.495	20	50		GEGDMO
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000823948243	609516252	/nfs/dbraw/zinc/51/62/52/609516252.db2.gz	IPUQBAIAJUMLEO-LJQANCHMSA-N	1	1	389.463	2.495	20	50		GEGDMO
O=C(CCl)Nc1cccnc1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1	ZINC001164790956	721424121	/nfs/dbraw/zinc/42/41/21/721424121.db2.gz	YTCLHEPFXDRDCP-CHWSQXEVSA-N	1	1	377.901	2.284	20	50		GEGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000826446330	607348234	/nfs/dbraw/zinc/34/82/34/607348234.db2.gz	IAWAWKGYWLGFOY-KRWDZBQOSA-N	1	1	377.452	2.222	20	50		GEGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1	ZINC000826446688	607342117	/nfs/dbraw/zinc/34/21/17/607342117.db2.gz	UXKXZFNHDBLJRX-SFHVURJKSA-N	1	1	377.452	2.365	20	50		GEGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCCC[N@H+]1Cc1ccccc1	ZINC000826446688	607342119	/nfs/dbraw/zinc/34/21/19/607342119.db2.gz	UXKXZFNHDBLJRX-SFHVURJKSA-N	1	1	377.452	2.365	20	50		GEGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1	ZINC000826448104	607721507	/nfs/dbraw/zinc/72/15/07/607721507.db2.gz	IUJNRAKGGSXYPK-INIZCTEOSA-N	1	1	395.442	2.361	20	50		GEGDMO
C[C@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000824498617	609317611	/nfs/dbraw/zinc/31/76/11/609317611.db2.gz	IYTAFLKMWAWCEX-DZGCQCFKSA-N	1	1	384.488	2.146	20	50		GEGDMO
O=C(CCl)Nc1ccc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)nc1	ZINC001164788899	721434177	/nfs/dbraw/zinc/43/41/77/721434177.db2.gz	UAQTXJYPNQQBGG-BETUJISGSA-N	1	1	377.901	2.284	20	50		GEGDMO
O=C(CCl)Nc1ccc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)nc1	ZINC001164788899	721434178	/nfs/dbraw/zinc/43/41/78/721434178.db2.gz	UAQTXJYPNQQBGG-BETUJISGSA-N	1	1	377.901	2.284	20	50		GEGDMO
O=C(NNc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000826448210	607725361	/nfs/dbraw/zinc/72/53/61/607725361.db2.gz	MAEBQEISVGQLPI-QGZVFWFLSA-N	1	1	377.452	2.222	20	50		GEGDMO
CC(=NNC(=O)c1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000823948242	609515865	/nfs/dbraw/zinc/51/58/65/609515865.db2.gz	IPUQBAIAJUMLEO-IBGZPJMESA-N	1	1	389.463	2.495	20	50		GEGDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164815671	720159666	/nfs/dbraw/zinc/15/96/66/720159666.db2.gz	IUPGABGNPWLZNA-UZLBHIALSA-N	1	1	392.931	2.444	20	50		GEGDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164815668	720159949	/nfs/dbraw/zinc/15/99/49/720159949.db2.gz	IUPGABGNPWLZNA-OXQOHEQNSA-N	1	1	392.931	2.444	20	50		GEGDMO
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000824910834	607394244	/nfs/dbraw/zinc/39/42/44/607394244.db2.gz	YQCXLJNMWNMJHY-AOOOYVTPSA-N	1	1	383.378	2.201	20	50		GEGDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1NC(=O)CCl)C2	ZINC001164815666	720160270	/nfs/dbraw/zinc/16/02/70/720160270.db2.gz	IUPGABGNPWLZNA-OXJNMPFZSA-N	1	1	392.931	2.444	20	50		GEGDMO
CC(=NNC(=O)c1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000823954098	609516473	/nfs/dbraw/zinc/51/64/73/609516473.db2.gz	YZZJFNBHBMWMCA-IBGZPJMESA-N	1	1	389.463	2.495	20	50		GEGDMO
CCC[N@H+]1CCC[C@@H]1C(=O)NNc1ccc(-c2nn[nH]n2)c(C(F)(F)F)c1	ZINC000825326845	607394195	/nfs/dbraw/zinc/39/41/95/607394195.db2.gz	FTOBOGUOORWTRL-CYBMUJFWSA-N	1	1	383.378	2.203	20	50		GEGDMO
CCCC[N@@H+](CC(=O)NNC(=O)c1cccc(-c2nn[nH]n2)c1)C1CCCCC1	ZINC000825282772	607921548	/nfs/dbraw/zinc/92/15/48/607921548.db2.gz	ZRUWQRZHBPRCDG-UHFFFAOYSA-N	1	1	399.499	2.063	20	50		GEGDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164816272	720190783	/nfs/dbraw/zinc/19/07/83/720190783.db2.gz	KRQPFSSQGLSGCQ-JXFKEZNVSA-N	1	1	392.931	2.444	20	50		GEGDMO
O=C(NNc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1	ZINC000826446381	607346007	/nfs/dbraw/zinc/34/60/07/607346007.db2.gz	JNORLQZLOZCWSX-MRXNPFEDSA-N	1	1	395.442	2.361	20	50		GEGDMO
C[C@@H](NC(=O)NNc1cccc(-c2nn[nH]n2)c1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000824498618	609317845	/nfs/dbraw/zinc/31/78/45/609317845.db2.gz	IYTAFLKMWAWCEX-HIFRSBDPSA-N	1	1	384.488	2.146	20	50		GEGDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(NC(=O)CCl)cn1)C2	ZINC001164816273	720190318	/nfs/dbraw/zinc/19/03/18/720190318.db2.gz	KRQPFSSQGLSGCQ-OXJNMPFZSA-N	1	1	392.931	2.444	20	50		GEGDMO