smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)C1	ZINC000045201555	205117758	/nfs/dbraw/zinc/11/77/58/205117758.db2.gz	OBQDHHPMRZQVTF-GOSISDBHSA-N	2	2	374.513	4.491	1	0		FIAFLP
[NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3csc(-c4nc5ccccc5[nH]4)c3)c2)C1	ZINC000045201555	205117762	/nfs/dbraw/zinc/11/77/62/205117762.db2.gz	OBQDHHPMRZQVTF-GOSISDBHSA-N	2	2	374.513	4.491	1	0		FIAFLP
[NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1	ZINC000045324011	205120575	/nfs/dbraw/zinc/12/05/75/205120575.db2.gz	SNTTXYMROKUTGW-OAQYLSRUSA-N	2	2	368.484	4.430	1	0		FIAFLP
[NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1	ZINC000045324011	205120578	/nfs/dbraw/zinc/12/05/78/205120578.db2.gz	SNTTXYMROKUTGW-OAQYLSRUSA-N	2	2	368.484	4.430	1	0		FIAFLP
[NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1	ZINC000045192895	205117640	/nfs/dbraw/zinc/11/76/40/205117640.db2.gz	XPDMDGCOZLPEEH-QGZVFWFLSA-N	2	2	374.513	4.491	1	0		FIAFLP
[NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1	ZINC000045192895	205117645	/nfs/dbraw/zinc/11/76/45/205117645.db2.gz	XPDMDGCOZLPEEH-QGZVFWFLSA-N	2	2	374.513	4.491	1	0		FIAFLP
Oc1ccc(C[NH2+][C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)[NH2+]C2)cc1	ZINC000038322607	205039949	/nfs/dbraw/zinc/03/99/49/205039949.db2.gz	GFVWNDVQQZGNER-ISKFKSNPSA-N	2	2	372.512	4.435	1	0		FIAFLP
FC(F)(F)c1ccc(SC[C@@H](c2c[nH]c[nH+]2)C2CC[NH2+]CC2)cc1	ZINC000064564985	205300845	/nfs/dbraw/zinc/30/08/45/205300845.db2.gz	HGLGWLWXYRAXPK-OAHLLOKOSA-N	2	2	355.429	4.304	1	0		FIAFLP
FC(F)(F)c1ccc(SC[C@@H](c2c[nH+]c[nH]2)C2CC[NH2+]CC2)cc1	ZINC000064564985	205300849	/nfs/dbraw/zinc/30/08/49/205300849.db2.gz	HGLGWLWXYRAXPK-OAHLLOKOSA-N	2	2	355.429	4.304	1	0		FIAFLP
C1=C(c2ccc(CC[NH+]3CCCC3)cc2)[C@@H]2CN(c3cccc[nH+]3)C[C@@H]2C1	ZINC000036289105	205008625	/nfs/dbraw/zinc/00/86/25/205008625.db2.gz	QFURDKZFPGIQLC-JTHBVZDNSA-N	2	2	359.517	4.260	1	0		FIAFLP
c1oc(-c2ccccc2)nc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2	ZINC000039552364	205046322	/nfs/dbraw/zinc/04/63/22/205046322.db2.gz	OVYAJPZXAFAJRL-QFIPXVFZSA-N	2	2	351.494	4.040	1	0		FIAFLP
c1oc(-c2ccccc2)nc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2	ZINC000039552364	205046326	/nfs/dbraw/zinc/04/63/26/205046326.db2.gz	OVYAJPZXAFAJRL-QFIPXVFZSA-N	2	2	351.494	4.040	1	0		FIAFLP
c1oc(-c2ccccc2)nc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2	ZINC000039552364	205046330	/nfs/dbraw/zinc/04/63/30/205046330.db2.gz	OVYAJPZXAFAJRL-QFIPXVFZSA-N	2	2	351.494	4.040	1	0		FIAFLP
c1oc(-c2ccccc2)nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CC1CC1)C2	ZINC000039552364	205046333	/nfs/dbraw/zinc/04/63/33/205046333.db2.gz	OVYAJPZXAFAJRL-QFIPXVFZSA-N	2	2	351.494	4.040	1	0		FIAFLP
[NH3+][C@@H]1CC[N@H+](Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)C1	ZINC000045186917	205117657	/nfs/dbraw/zinc/11/76/57/205117657.db2.gz	CWZASJHTLJTWJB-QGZVFWFLSA-N	2	2	374.513	4.491	1	0		FIAFLP
[NH3+][C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)c2)C1	ZINC000045186917	205117660	/nfs/dbraw/zinc/11/76/60/205117660.db2.gz	CWZASJHTLJTWJB-QGZVFWFLSA-N	2	2	374.513	4.491	1	0		FIAFLP
COc1cccc2c(NCCNc3cc[nH+]c4c(OC)cccc34)cc[nH+]c12	ZINC000045302923	205120304	/nfs/dbraw/zinc/12/03/04/205120304.db2.gz	OBEXOFONJDJASX-UHFFFAOYSA-N	2	2	374.444	4.324	1	0		FIAFLP
[NH3+][C@H]1CC[N@H+](Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1	ZINC000045324008	205120392	/nfs/dbraw/zinc/12/03/92/205120392.db2.gz	SNTTXYMROKUTGW-NRFANRHFSA-N	2	2	368.484	4.430	1	0		FIAFLP
[NH3+][C@H]1CC[N@@H+](Cc2cccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)c2)C1	ZINC000045324008	205120397	/nfs/dbraw/zinc/12/03/97/205120397.db2.gz	SNTTXYMROKUTGW-NRFANRHFSA-N	2	2	368.484	4.430	1	0		FIAFLP
C[NH2+]CC[NH2+]Cc1cccc(-c2ccc(-c3nc4ccccc4[nH]3)cc2)c1	ZINC000045195503	205118105	/nfs/dbraw/zinc/11/81/05/205118105.db2.gz	OTCOPJXCSLBASY-UHFFFAOYSA-N	2	2	356.473	4.206	1	0		FIAFLP
COc1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)cc1	ZINC000040891876	208273778	/nfs/dbraw/zinc/27/37/78/208273778.db2.gz	JBHYWQAXVZKPSC-AAIMPIBUSA-N	2	2	356.554	4.464	1	0		FIAFLP
[NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1	ZINC000045192892	208328050	/nfs/dbraw/zinc/32/80/50/208328050.db2.gz	XPDMDGCOZLPEEH-KRWDZBQOSA-N	2	2	374.513	4.491	1	0		FIAFLP
[NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)s3)cc2)C1	ZINC000045192892	208328057	/nfs/dbraw/zinc/32/80/57/208328057.db2.gz	XPDMDGCOZLPEEH-KRWDZBQOSA-N	2	2	374.513	4.491	1	0		FIAFLP
CCCCc1ccc2[nH]c(C)c(C[N@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1	ZINC000008717226	207243439	/nfs/dbraw/zinc/24/34/39/207243439.db2.gz	WNLPAFILETVHBK-UHFFFAOYSA-N	2	2	355.526	4.117	1	0		FIAFLP
CCCCc1ccc2[nH]c(C)c(C[N@@H+](C)C3CC[NH+](C)CC3)c(=O)c2c1	ZINC000008717226	207243446	/nfs/dbraw/zinc/24/34/46/207243446.db2.gz	WNLPAFILETVHBK-UHFFFAOYSA-N	2	2	355.526	4.117	1	0		FIAFLP
Fc1ccc(-c2cccc(N3CCC([NH2+]CCc4c[nH]c[nH+]4)CC3)c2)cc1	ZINC000020998354	132267531	/nfs/dbraw/zinc/26/75/31/132267531.db2.gz	SYIDYLWZGYEMAF-UHFFFAOYSA-N	2	2	364.468	4.017	1	0		FIAFLP
Fc1ccc(-c2cccc(N3CCC([NH2+]CCc4c[nH+]c[nH]4)CC3)c2)cc1	ZINC000020998354	132267532	/nfs/dbraw/zinc/26/75/32/132267532.db2.gz	SYIDYLWZGYEMAF-UHFFFAOYSA-N	2	2	364.468	4.017	1	0		FIAFLP
[NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C1	ZINC000045168587	208326548	/nfs/dbraw/zinc/32/65/48/208326548.db2.gz	UUBYDAMQRANIIK-NRFANRHFSA-N	2	2	368.484	4.430	1	0		FIAFLP
[NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc(-c4nc5ccccc5[nH]4)cc3)cc2)C1	ZINC000045168587	208326551	/nfs/dbraw/zinc/32/65/51/208326551.db2.gz	UUBYDAMQRANIIK-NRFANRHFSA-N	2	2	368.484	4.430	1	0		FIAFLP
Cc1cc(N)[nH+]c2ccc(C[NH2+]CCc3ccccc3Br)cc12	ZINC000045210605	208326991	/nfs/dbraw/zinc/32/69/91/208326991.db2.gz	CGPWHNKAZVYHHR-UHFFFAOYSA-N	2	2	370.294	4.220	1	0		FIAFLP
COc1cccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)c1	ZINC000040899299	208274017	/nfs/dbraw/zinc/27/40/17/208274017.db2.gz	UYZOQSDBCHBTSN-AAIMPIBUSA-N	2	2	356.554	4.464	1	0		FIAFLP
COc1ccc(CNc2[nH+]ccc3ccc(-c4ccc(N)[nH+]c4)cc32)cc1	ZINC000045338637	208331111	/nfs/dbraw/zinc/33/11/11/208331111.db2.gz	AUXUNSUBCXRQOL-UHFFFAOYSA-N	2	2	356.429	4.500	1	0		FIAFLP
[NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1	ZINC000045202749	208327329	/nfs/dbraw/zinc/32/73/29/208327329.db2.gz	PTHGMKSMLXDPEX-OAQYLSRUSA-N	2	2	368.484	4.430	1	0		FIAFLP
[NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(-c4nc5ccccc5[nH]4)c3)cc2)C1	ZINC000045202749	208327336	/nfs/dbraw/zinc/32/73/36/208327336.db2.gz	PTHGMKSMLXDPEX-OAQYLSRUSA-N	2	2	368.484	4.430	1	0		FIAFLP
C[C@H]([NH2+]CC[NH+](C)C)[C@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@]21C	ZINC000022950399	211371402	/nfs/dbraw/zinc/37/14/02/211371402.db2.gz	OQLPSYJNZRYLOQ-YEOVSZKKSA-N	2	2	370.581	4.404	1	0		FIAFLP
C[C@@H]([NH2+]CC[NH+](C)C)[C@@H]1CC[C@@H]2[C@@H]3CCc4cc(O)ccc4[C@@H]3CC[C@@]12C	ZINC000022950396	211370842	/nfs/dbraw/zinc/37/08/42/211370842.db2.gz	OQLPSYJNZRYLOQ-APYVTPOUSA-N	2	2	370.581	4.404	1	0		FIAFLP
FC(F)(F)Oc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@H]1c1ccccc1	ZINC000022442017	211350938	/nfs/dbraw/zinc/35/09/38/211350938.db2.gz	UREZEIFIEYLVGN-WMZOPIPTSA-N	2	2	350.384	4.168	1	0		FIAFLP
c1[nH]c2ccc(CC[NH+]3CCN(c4cccc5ccccc54)CC3)cc2[nH+]1	ZINC000038424857	136118773	/nfs/dbraw/zinc/11/87/73/136118773.db2.gz	OTPPYWCIUOIPCN-UHFFFAOYSA-N	2	2	356.473	4.081	1	0		FIAFLP
C[NH2+][C@H]1CC[C@@H](N2CCc3ccc(NC(=[NH2+])c4cccs4)cc32)CC1	ZINC000101472611	222276696	/nfs/dbraw/zinc/27/66/96/222276696.db2.gz	HGVUTNMCDMGTOE-JCNLHEQBSA-N	2	2	354.523	4.079	1	0		FIAFLP
Clc1ccc([C@H](CC[NH2+]CCCc2c[nH+]c[nH]2)c2ccccn2)cc1	ZINC000013490249	220069318	/nfs/dbraw/zinc/06/93/18/220069318.db2.gz	JSFCRCOLLFTCQM-IBGZPJMESA-N	2	2	354.885	4.203	1	0		FIAFLP
Clc1ccc([C@H](CC[NH2+]CCCc2c[nH]c[nH+]2)c2ccccn2)cc1	ZINC000013490249	220069320	/nfs/dbraw/zinc/06/93/20/220069320.db2.gz	JSFCRCOLLFTCQM-IBGZPJMESA-N	2	2	354.885	4.203	1	0		FIAFLP
FC(F)(F)c1ccc(SC[C@H](c2c[nH]c[nH+]2)C2CC[NH2+]CC2)cc1	ZINC000064564987	221148580	/nfs/dbraw/zinc/14/85/80/221148580.db2.gz	HGLGWLWXYRAXPK-HNNXBMFYSA-N	2	2	355.429	4.304	1	0		FIAFLP
FC(F)(F)c1ccc(SC[C@H](c2c[nH+]c[nH]2)C2CC[NH2+]CC2)cc1	ZINC000064564987	221148582	/nfs/dbraw/zinc/14/85/82/221148582.db2.gz	HGLGWLWXYRAXPK-HNNXBMFYSA-N	2	2	355.429	4.304	1	0		FIAFLP