smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Clc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl	ZINC000217643248	333122253	/nfs/dbraw/zinc/12/22/53/333122253.db2.gz	ZXGBOJKXNRPUAS-GJZGRUSLSA-N	2	2	299.245	3.710	20	70		CHIDLP
Clc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl	ZINC000217643248	333122254	/nfs/dbraw/zinc/12/22/54/333122254.db2.gz	ZXGBOJKXNRPUAS-GJZGRUSLSA-N	2	2	299.245	3.710	20	70		CHIDLP
C[C@@H](C[NH2+]C1CC(c2ccccc2Cl)C1)[N@H+](C)C1CC1	ZINC000217593718	333121670	/nfs/dbraw/zinc/12/16/70/333121670.db2.gz	SDCDMNMIOSYCGH-HSBZDZAISA-N	2	2	292.854	3.658	20	70		CHIDLP
C[C@@H](C[NH2+]C1CC(c2ccccc2Cl)C1)[N@@H+](C)C1CC1	ZINC000217593718	333121671	/nfs/dbraw/zinc/12/16/71/333121671.db2.gz	SDCDMNMIOSYCGH-HSBZDZAISA-N	2	2	292.854	3.658	20	70		CHIDLP
COc1ccc([C@@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)cc1	ZINC000159717166	261192469	/nfs/dbraw/zinc/19/24/69/261192469.db2.gz	IPLLFVIFOIKYBS-SFHVURJKSA-N	2	2	299.418	3.509	20	70		CHIDLP
COc1ccc([C@@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)cc1	ZINC000159717166	261192472	/nfs/dbraw/zinc/19/24/72/261192472.db2.gz	IPLLFVIFOIKYBS-SFHVURJKSA-N	2	2	299.418	3.509	20	70		CHIDLP
C[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)[N@H+](C)C1CC1	ZINC000217538670	261281062	/nfs/dbraw/zinc/28/10/62/261281062.db2.gz	LSTDZTOSTTUCFE-AWEZNQCLSA-N	2	2	264.457	3.562	20	70		CHIDLP
C[C@@H](C[NH2+]C1CCC2(CCCC2)CC1)[N@@H+](C)C1CC1	ZINC000217538670	261281063	/nfs/dbraw/zinc/28/10/63/261281063.db2.gz	LSTDZTOSTTUCFE-AWEZNQCLSA-N	2	2	264.457	3.562	20	70		CHIDLP
CC[C@@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Cl)c1F	ZINC000161473967	261247751	/nfs/dbraw/zinc/24/77/51/261247751.db2.gz	SVSSXMYJVQZPRC-CQSZACIVSA-N	2	2	295.789	3.807	20	70		CHIDLP
Cc1cccn2c(C[NH2+][C@H]3CCCc4sccc43)c[nH+]c12	ZINC000160959211	525468204	/nfs/dbraw/zinc/46/82/04/525468204.db2.gz	ZZFVRELEVCQATL-HNNXBMFYSA-N	2	2	297.427	3.871	20	70		CHIDLP
CCc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)o1	ZINC000160512879	524045416	/nfs/dbraw/zinc/04/54/16/524045416.db2.gz	FUEUYFBWWCSVMT-AWEZNQCLSA-N	2	2	290.451	3.900	20	70		CHIDLP
COc1ccc([C@H]2CCCCC[N@@H+]2CCn2cc[nH+]c2)cc1	ZINC000159717296	261192301	/nfs/dbraw/zinc/19/23/01/261192301.db2.gz	IPLLFVIFOIKYBS-GOSISDBHSA-N	2	2	299.418	3.509	20	70		CHIDLP
COc1ccc([C@H]2CCCCC[N@H+]2CCn2cc[nH+]c2)cc1	ZINC000159717296	261192303	/nfs/dbraw/zinc/19/23/03/261192303.db2.gz	IPLLFVIFOIKYBS-GOSISDBHSA-N	2	2	299.418	3.509	20	70		CHIDLP
CC[C@H]([NH2+]CCCn1cc[nH+]c1)c1cccc(Cl)c1F	ZINC000161473852	261247483	/nfs/dbraw/zinc/24/74/83/261247483.db2.gz	SVSSXMYJVQZPRC-AWEZNQCLSA-N	2	2	295.789	3.807	20	70		CHIDLP
CC[N@H+](CC[NH2+]C1CC(c2ccccc2Cl)C1)C1CC1	ZINC000217479432	333121341	/nfs/dbraw/zinc/12/13/41/333121341.db2.gz	VMNMCWBYXYEPIP-UHFFFAOYSA-N	2	2	292.854	3.660	20	70		CHIDLP
CC[N@@H+](CC[NH2+]C1CC(c2ccccc2Cl)C1)C1CC1	ZINC000217479432	333121343	/nfs/dbraw/zinc/12/13/43/333121343.db2.gz	VMNMCWBYXYEPIP-UHFFFAOYSA-N	2	2	292.854	3.660	20	70		CHIDLP
Cc1cccn2c(C[NH2+][C@@H]3CCCc4sccc43)c[nH+]c12	ZINC000160959064	525467930	/nfs/dbraw/zinc/46/79/30/525467930.db2.gz	ZZFVRELEVCQATL-OAHLLOKOSA-N	2	2	297.427	3.871	20	70		CHIDLP
Clc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Cl	ZINC000217643158	333122274	/nfs/dbraw/zinc/12/22/74/333122274.db2.gz	ZXGBOJKXNRPUAS-CABCVRRESA-N	2	2	299.245	3.710	20	70		CHIDLP
Clc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1Cl	ZINC000217643158	333122275	/nfs/dbraw/zinc/12/22/75/333122275.db2.gz	ZXGBOJKXNRPUAS-CABCVRRESA-N	2	2	299.245	3.710	20	70		CHIDLP
Cc1ccc2[nH+]cc(C[NH2+][C@@H]3CCCc4sccc43)n2c1	ZINC000160992908	261233594	/nfs/dbraw/zinc/23/35/94/261233594.db2.gz	JZFJGUMVOJVSKA-OAHLLOKOSA-N	2	2	297.427	3.871	20	70		CHIDLP
Cc1ccc2[nH+]cc(C[NH2+][C@H]3CCCc4sccc43)n2c1	ZINC000160993044	261233530	/nfs/dbraw/zinc/23/35/30/261233530.db2.gz	JZFJGUMVOJVSKA-HNNXBMFYSA-N	2	2	297.427	3.871	20	70		CHIDLP
CCc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)o1	ZINC000160512779	524023795	/nfs/dbraw/zinc/02/37/95/524023795.db2.gz	FUEUYFBWWCSVMT-CQSZACIVSA-N	2	2	290.451	3.900	20	70		CHIDLP
C[NH+](C)C1(CNc2[nH+]ccc3ccccc32)CCCC1	ZINC000161051429	328121157	/nfs/dbraw/zinc/12/11/57/328121157.db2.gz	QEDVALBAQJTOOY-UHFFFAOYSA-N	2	2	269.392	3.521	20	70		CHIDLP
C[C@H](C[NH2+]C1CCC2(CCCC2)CC1)[N@H+](C)C1CC1	ZINC000217538753	333121605	/nfs/dbraw/zinc/12/16/05/333121605.db2.gz	LSTDZTOSTTUCFE-CQSZACIVSA-N	2	2	264.457	3.562	20	70		CHIDLP
C[C@H](C[NH2+]C1CCC2(CCCC2)CC1)[N@@H+](C)C1CC1	ZINC000217538753	333121606	/nfs/dbraw/zinc/12/16/06/333121606.db2.gz	LSTDZTOSTTUCFE-CQSZACIVSA-N	2	2	264.457	3.562	20	70		CHIDLP
C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(Cl)c1	ZINC000217634725	333122206	/nfs/dbraw/zinc/12/22/06/333122206.db2.gz	ZDTBWUTWWRQZNE-UVBJJODRSA-N	2	2	296.817	3.757	20	70		CHIDLP
C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(Cl)c1	ZINC000217634725	333122208	/nfs/dbraw/zinc/12/22/08/333122208.db2.gz	ZDTBWUTWWRQZNE-UVBJJODRSA-N	2	2	296.817	3.757	20	70		CHIDLP
Cc1cc2cc([C@H](C)[NH2+]C3CC[NH+](C)CC3)oc2cc1C	ZINC000161439543	261246461	/nfs/dbraw/zinc/24/64/61/261246461.db2.gz	ASCZIDRVOXBMJT-AWEZNQCLSA-N	2	2	286.419	3.794	20	70		CHIDLP
C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(F)c(Cl)c1	ZINC000217634545	329394955	/nfs/dbraw/zinc/39/49/55/329394955.db2.gz	ZDTBWUTWWRQZNE-XZJROXQQSA-N	2	2	296.817	3.757	20	70		CHIDLP
C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(F)c(Cl)c1	ZINC000217634545	329394956	/nfs/dbraw/zinc/39/49/56/329394956.db2.gz	ZDTBWUTWWRQZNE-XZJROXQQSA-N	2	2	296.817	3.757	20	70		CHIDLP
CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(C)cc1)C1CC1	ZINC000217875350	333124763	/nfs/dbraw/zinc/12/47/63/333124763.db2.gz	ADGNKYOKZQLDEI-ZWKOTPCHSA-N	2	2	272.436	3.520	20	70		CHIDLP
CC[N@H+]1CCC[C@H]1C[NH2+][C@H](c1ccc(C)cc1)C1CC1	ZINC000217875350	333124765	/nfs/dbraw/zinc/12/47/65/333124765.db2.gz	ADGNKYOKZQLDEI-ZWKOTPCHSA-N	2	2	272.436	3.520	20	70		CHIDLP
Cc1cc2cc([C@@H](C)[NH2+]C3CC[NH+](C)CC3)oc2cc1C	ZINC000161439419	261246650	/nfs/dbraw/zinc/24/66/50/261246650.db2.gz	ASCZIDRVOXBMJT-CQSZACIVSA-N	2	2	286.419	3.794	20	70		CHIDLP
CC[C@@](C)([NH2+]CCC[NH+]1CCCCC1)c1nc(C)cs1	ZINC000161437643	523658312	/nfs/dbraw/zinc/65/83/12/523658312.db2.gz	HVGMFQHQQUPXSM-MRXNPFEDSA-N	2	2	295.496	3.542	20	70		CHIDLP
CC[C@](C)([NH2+]CCC[NH+]1CCCCC1)c1nc(C)cs1	ZINC000161437514	523488719	/nfs/dbraw/zinc/48/87/19/523488719.db2.gz	HVGMFQHQQUPXSM-INIZCTEOSA-N	2	2	295.496	3.542	20	70		CHIDLP