smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000580827774	367179958	/nfs/dbraw/zinc/17/99/58/367179958.db2.gz	MKLGQXGWLJTIIP-STQMWFEESA-N	1	3	224.392	2.566	10	30		BFEEHO
C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCNCC1	ZINC000665230824	410723769	/nfs/dbraw/zinc/72/37/69/410723769.db2.gz	WOCHGGPRJXFIDG-ILXRZTDVSA-N	1	3	236.403	2.853	10	30		BFEEHO
C=CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCNCC1	ZINC000665230827	410723820	/nfs/dbraw/zinc/72/38/20/410723820.db2.gz	WOCHGGPRJXFIDG-RBSFLKMASA-N	1	3	236.403	2.853	10	30		BFEEHO
C=CC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000629509911	361104796	/nfs/dbraw/zinc/10/47/96/361104796.db2.gz	MMQGVWIOAGOJOP-STQMWFEESA-N	1	3	224.392	2.566	10	30		BFEEHO
C=CC(C)(C)CC[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000629509909	361105000	/nfs/dbraw/zinc/10/50/00/361105000.db2.gz	MMQGVWIOAGOJOP-OLZOCXBDSA-N	1	3	224.392	2.566	10	30		BFEEHO
C=CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCNCC1	ZINC000665230825	410723937	/nfs/dbraw/zinc/72/39/37/410723937.db2.gz	WOCHGGPRJXFIDG-KFWWJZLASA-N	1	3	236.403	2.853	10	30		BFEEHO
C=CCCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000635024309	345224524	/nfs/dbraw/zinc/22/45/24/345224524.db2.gz	WFNNVTMPFDSPBK-UONOGXRCSA-N	1	3	238.419	2.957	10	30		BFEEHO
CCC[NH+](CCC)Cc1ccc(C#CCN)cc1	ZINC000049608515	169148968	/nfs/dbraw/zinc/14/89/68/169148968.db2.gz	HSCZSBFRRDFEFC-UHFFFAOYSA-N	1	3	244.382	2.619	10	30		BFEEHO
C=CCCC(C)(C)C[NH2+][C@H]1CCCNCC1	ZINC000635021430	345223565	/nfs/dbraw/zinc/22/35/65/345223565.db2.gz	OLYFHGVQQUTOKE-ZDUSSCGKSA-N	1	3	224.392	2.711	10	30		BFEEHO
C=CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000577620665	366021597	/nfs/dbraw/zinc/02/15/97/366021597.db2.gz	COSYEJAUBRDPQP-MJBXVCDLSA-N	1	3	224.392	2.709	10	30		BFEEHO
CCC[N@H+](Cc1ccccc1C#CCN)C(C)C	ZINC000049608954	169178111	/nfs/dbraw/zinc/17/81/11/169178111.db2.gz	JOJOCMOAGUOUPZ-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC[N@@H+](Cc1ccccc1C#CCN)C(C)C	ZINC000049608954	169178112	/nfs/dbraw/zinc/17/81/12/169178112.db2.gz	JOJOCMOAGUOUPZ-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
C=CCCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000635024308	345224925	/nfs/dbraw/zinc/22/49/25/345224925.db2.gz	WFNNVTMPFDSPBK-KGLIPLIRSA-N	1	3	238.419	2.957	10	30		BFEEHO
C=CCCC(C)(C)C[NH2+][C@@H]1CCCNCC1	ZINC000635021418	345223618	/nfs/dbraw/zinc/22/36/18/345223618.db2.gz	OLYFHGVQQUTOKE-CYBMUJFWSA-N	1	3	224.392	2.711	10	30		BFEEHO
C=CCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000580827771	367178491	/nfs/dbraw/zinc/17/84/91/367178491.db2.gz	MKLGQXGWLJTIIP-CHWSQXEVSA-N	1	3	224.392	2.566	10	30		BFEEHO
CCC[C@@H](C)[N@H+](C)Cc1ccccc1C#CCN	ZINC000049609307	169365295	/nfs/dbraw/zinc/36/52/95/169365295.db2.gz	HAFSGOIUAANAHC-CQSZACIVSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC[C@@H](C)[N@@H+](C)Cc1ccccc1C#CCN	ZINC000049609307	169365296	/nfs/dbraw/zinc/36/52/96/169365296.db2.gz	HAFSGOIUAANAHC-CQSZACIVSA-N	1	3	244.382	2.617	10	30		BFEEHO
C=CCN(CC=C)Cc1cccc(C[NH2+]CC)c1	ZINC000052376416	166338362	/nfs/dbraw/zinc/33/83/62/166338362.db2.gz	CCHAFPAGMOQDIJ-UHFFFAOYSA-N	1	3	244.382	2.970	10	30		BFEEHO
C=CC[C@@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1	ZINC000714996058	712503293	/nfs/dbraw/zinc/50/32/93/712503293.db2.gz	MLDADWMQFPUDFS-BMFZPTHFSA-N	1	3	244.382	2.625	10	30		BFEEHO
C=CC[C@@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1	ZINC000714996058	712503294	/nfs/dbraw/zinc/50/32/94/712503294.db2.gz	MLDADWMQFPUDFS-BMFZPTHFSA-N	1	3	244.382	2.625	10	30		BFEEHO
CCC(CC)[N@H+](C)Cc1ccccc1C#CCN	ZINC000049609248	168369738	/nfs/dbraw/zinc/36/97/38/168369738.db2.gz	ZGYLASQKIKPKJF-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC(CC)[N@@H+](C)Cc1ccccc1C#CCN	ZINC000049609248	168369741	/nfs/dbraw/zinc/36/97/41/168369741.db2.gz	ZGYLASQKIKPKJF-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
C=CCC(C)(C)C[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000580827773	367179402	/nfs/dbraw/zinc/17/94/02/367179402.db2.gz	MKLGQXGWLJTIIP-QWHCGFSZSA-N	1	3	224.392	2.566	10	30		BFEEHO
CCC[N@H+](Cc1cccc(C#CCN)c1)C(C)C	ZINC000049608960	169175698	/nfs/dbraw/zinc/17/56/98/169175698.db2.gz	XYIZPQKNPYJBPS-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC[N@@H+](Cc1cccc(C#CCN)c1)C(C)C	ZINC000049608960	169175700	/nfs/dbraw/zinc/17/57/00/169175700.db2.gz	XYIZPQKNPYJBPS-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC[C@@H](C)[N@H+](C)Cc1ccc(C#CCN)cc1	ZINC000049609309	169364967	/nfs/dbraw/zinc/36/49/67/169364967.db2.gz	QARXRXTYEZEQQG-CQSZACIVSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC[C@@H](C)[N@@H+](C)Cc1ccc(C#CCN)cc1	ZINC000049609309	169364968	/nfs/dbraw/zinc/36/49/68/169364968.db2.gz	QARXRXTYEZEQQG-CQSZACIVSA-N	1	3	244.382	2.617	10	30		BFEEHO
C=CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCNCC1	ZINC000665230826	410724823	/nfs/dbraw/zinc/72/48/23/410724823.db2.gz	WOCHGGPRJXFIDG-QLFBSQMISA-N	1	3	236.403	2.853	10	30		BFEEHO
CC[C@H](C)[N@H+](CC)Cc1ccccc1C#CCN	ZINC000049608936	171312715	/nfs/dbraw/zinc/31/27/15/171312715.db2.gz	GAJZRLZSTDRDJR-AWEZNQCLSA-N	1	3	244.382	2.617	10	30		BFEEHO
CC[C@H](C)[N@@H+](CC)Cc1ccccc1C#CCN	ZINC000049608936	171312716	/nfs/dbraw/zinc/31/27/16/171312716.db2.gz	GAJZRLZSTDRDJR-AWEZNQCLSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC(CC)[N@H+](C)Cc1ccc(C#CCN)cc1	ZINC000049609249	168369845	/nfs/dbraw/zinc/36/98/45/168369845.db2.gz	YHVJMFZOCNLXDJ-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC(CC)[N@@H+](C)Cc1ccc(C#CCN)cc1	ZINC000049609249	168369848	/nfs/dbraw/zinc/36/98/48/168369848.db2.gz	YHVJMFZOCNLXDJ-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
C=CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000577620664	366021282	/nfs/dbraw/zinc/02/12/82/366021282.db2.gz	COSYEJAUBRDPQP-MELADBBJSA-N	1	3	224.392	2.709	10	30		BFEEHO
[NH3+]CCCCN=C1CCCc2ccccc2N1	ZINC000064454465	181374358	/nfs/dbraw/zinc/37/43/58/181374358.db2.gz	VRXUZYOFQLAINB-UHFFFAOYSA-N	1	3	231.343	2.572	10	30		BFEEHO
CC[C@H](C)[N@H+](CC)Cc1ccc(C#CCN)cc1	ZINC000049608938	171311742	/nfs/dbraw/zinc/31/17/42/171311742.db2.gz	MJNAOOPFBKHYNX-AWEZNQCLSA-N	1	3	244.382	2.617	10	30		BFEEHO
CC[C@H](C)[N@@H+](CC)Cc1ccc(C#CCN)cc1	ZINC000049608938	171311743	/nfs/dbraw/zinc/31/17/43/171311743.db2.gz	MJNAOOPFBKHYNX-AWEZNQCLSA-N	1	3	244.382	2.617	10	30		BFEEHO
CC[C@H](C)[N@H+](CC)Cc1cccc(C#CCN)c1	ZINC000049608948	171312263	/nfs/dbraw/zinc/31/22/63/171312263.db2.gz	VFPNITPUDPCAGU-AWEZNQCLSA-N	1	3	244.382	2.617	10	30		BFEEHO
CC[C@H](C)[N@@H+](CC)Cc1cccc(C#CCN)c1	ZINC000049608948	171312265	/nfs/dbraw/zinc/31/22/65/171312265.db2.gz	VFPNITPUDPCAGU-AWEZNQCLSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC(CC)[N@H+](C)Cc1cccc(C#CCN)c1	ZINC000049609254	168369198	/nfs/dbraw/zinc/36/91/98/168369198.db2.gz	GYEYSHULRPYWTI-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC(CC)[N@@H+](C)Cc1cccc(C#CCN)c1	ZINC000049609254	168369200	/nfs/dbraw/zinc/36/92/00/168369200.db2.gz	GYEYSHULRPYWTI-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC[N@H+](Cc1ccc(C#CCN)cc1)C(C)C	ZINC000049608955	169175593	/nfs/dbraw/zinc/17/55/93/169175593.db2.gz	UCORFHAVYLQMKR-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC[N@@H+](Cc1ccc(C#CCN)cc1)C(C)C	ZINC000049608955	169175595	/nfs/dbraw/zinc/17/55/95/169175595.db2.gz	UCORFHAVYLQMKR-UHFFFAOYSA-N	1	3	244.382	2.617	10	30		BFEEHO
C=CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000577620663	366021850	/nfs/dbraw/zinc/02/18/50/366021850.db2.gz	COSYEJAUBRDPQP-IHRRRGAJSA-N	1	3	224.392	2.709	10	30		BFEEHO
C=CC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000629509908	361104754	/nfs/dbraw/zinc/10/47/54/361104754.db2.gz	MMQGVWIOAGOJOP-CHWSQXEVSA-N	1	3	224.392	2.566	10	30		BFEEHO
C=CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000577620662	366021569	/nfs/dbraw/zinc/02/15/69/366021569.db2.gz	COSYEJAUBRDPQP-BFHYXJOUSA-N	1	3	224.392	2.709	10	30		BFEEHO
C=CCCC(C)(C)C[NH2+][C@H](C)[C@@H]1CCCNC1	ZINC000635024310	345224541	/nfs/dbraw/zinc/22/45/41/345224541.db2.gz	WFNNVTMPFDSPBK-ZIAGYGMSSA-N	1	3	238.419	2.957	10	30		BFEEHO
C=CCCC(C)(C)C[NH2+][C@@H](C)[C@H]1CCCNC1	ZINC000635024307	345224781	/nfs/dbraw/zinc/22/47/81/345224781.db2.gz	WFNNVTMPFDSPBK-KBPBESRZSA-N	1	3	238.419	2.957	10	30		BFEEHO
C=CC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCCNC1	ZINC000629509910	361105044	/nfs/dbraw/zinc/10/50/44/361105044.db2.gz	MMQGVWIOAGOJOP-QWHCGFSZSA-N	1	3	224.392	2.566	10	30		BFEEHO
C=CCC(C)(C)C[NH2+][C@H](C)[C@H]1CCCNC1	ZINC000580827772	367178273	/nfs/dbraw/zinc/17/82/73/367178273.db2.gz	MKLGQXGWLJTIIP-OLZOCXBDSA-N	1	3	224.392	2.566	10	30		BFEEHO
CCC[C@@H](C)[N@H+](C)Cc1cccc(C#CCN)c1	ZINC000049609319	169365606	/nfs/dbraw/zinc/36/56/06/169365606.db2.gz	NDUBQBOJVJYCPO-CQSZACIVSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC[C@@H](C)[N@@H+](C)Cc1cccc(C#CCN)c1	ZINC000049609319	169365607	/nfs/dbraw/zinc/36/56/07/169365607.db2.gz	NDUBQBOJVJYCPO-CQSZACIVSA-N	1	3	244.382	2.617	10	30		BFEEHO
CCC[NH+](CCC)Cc1cccc(C#CCN)c1	ZINC000049608520	169148921	/nfs/dbraw/zinc/14/89/21/169148921.db2.gz	JZYRWIXXWDFIOG-UHFFFAOYSA-N	1	3	244.382	2.619	10	30		BFEEHO
CCC[NH+](CCC)Cc1ccccc1C#CCN	ZINC000049608514	169149717	/nfs/dbraw/zinc/14/97/17/169149717.db2.gz	PYDUBZNVNMTPNZ-UHFFFAOYSA-N	1	3	244.382	2.619	10	30		BFEEHO
C=CC[C@H](C)[N@@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1	ZINC000714996060	712503320	/nfs/dbraw/zinc/50/33/20/712503320.db2.gz	MLDADWMQFPUDFS-IMJJTQAJSA-N	1	3	244.382	2.625	10	30		BFEEHO
C=CC[C@H](C)[N@H+]1C[C@@H](CN)[C@H](c2ccccc2)C1	ZINC000714996060	712503321	/nfs/dbraw/zinc/50/33/21/712503321.db2.gz	MLDADWMQFPUDFS-IMJJTQAJSA-N	1	3	244.382	2.625	10	30		BFEEHO