smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000004654627	483430611	/nfs/dbraw/zinc/43/06/11/483430611.db2.gz	XNSAINXGIQZQOO-WOPDTQHZSA-N	1	2	362.390	-1.808	40	0	in-vitro	FAABLO
NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000004654627	483430608	/nfs/dbraw/zinc/43/06/08/483430608.db2.gz	XNSAINXGIQZQOO-WOPDTQHZSA-N	1	2	362.390	-1.808	40	0	in-vitro	FAABLO
Nc1[nH+]cnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000005390312	482534384	/nfs/dbraw/zinc/53/43/84/482534384.db2.gz	PCAZZGMLVCFODV-YWARTMNGSA-N	1	2	350.291	-2.845	40	0		FAABLO
Nc1[nH+]cnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000005390313	204207658	/nfs/dbraw/zinc/20/76/58/204207658.db2.gz	PCAZZGMLVCFODV-MQQQIBFLSA-N	1	2	350.291	-2.845	40	0		FAABLO
Nc1[nH+]cnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000005390314	207098076	/nfs/dbraw/zinc/09/80/76/207098076.db2.gz	PCAZZGMLVCFODV-YJMZUNRSSA-N	1	2	350.291	-2.845	40	0		FAABLO
Nc1[nH+]cnc2c1c1c([nH]c(=O)[nH]c1=O)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000005390315	482534503	/nfs/dbraw/zinc/53/45/03/482534503.db2.gz	PCAZZGMLVCFODV-GTWRCXMXSA-N	1	2	350.291	-2.845	40	0		FAABLO
O=C(C[C@@H]1O[C@H](CNC(=O)C2CC2)[C@@H](O)[C@H]1O)NCC[NH+]1CCOCC1	ZINC000012603923	206293786	/nfs/dbraw/zinc/29/37/86/206293786.db2.gz	SRGQJTJULYVHLM-LQKXBSAESA-N	1	2	371.434	-2.160	40	0	biogenic,in-vitro	FAABLO
NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000013523524	482542483	/nfs/dbraw/zinc/54/24/83/482542483.db2.gz	XNSAINXGIQZQOO-TUAOUCFPSA-N	1	2	362.390	-1.808	40	0	in-man	FAABLO
NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000013523524	482542478	/nfs/dbraw/zinc/54/24/78/482542478.db2.gz	XNSAINXGIQZQOO-TUAOUCFPSA-N	1	2	362.390	-1.808	40	0	in-man	FAABLO
NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000013523529	482542529	/nfs/dbraw/zinc/54/25/29/482542529.db2.gz	XNSAINXGIQZQOO-QJPTWQEYSA-N	1	2	362.390	-1.808	40	0	in-man	FAABLO
NC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000013523529	482542524	/nfs/dbraw/zinc/54/25/24/482542524.db2.gz	XNSAINXGIQZQOO-QJPTWQEYSA-N	1	2	362.390	-1.808	40	0	in-man	FAABLO
NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000013523533	482542393	/nfs/dbraw/zinc/54/23/93/482542393.db2.gz	XNSAINXGIQZQOO-SDDRHHMPSA-N	1	2	362.390	-1.808	40	0	in-man	FAABLO
NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@@H]1CCC(=O)N1	ZINC000013523533	482542387	/nfs/dbraw/zinc/54/23/87/482542387.db2.gz	XNSAINXGIQZQOO-SDDRHHMPSA-N	1	2	362.390	-1.808	40	0	in-man	FAABLO
NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000013815126	483348770	/nfs/dbraw/zinc/34/87/70/483348770.db2.gz	XNSAINXGIQZQOO-UTUOFQBUSA-N	1	2	362.390	-1.808	40	0		FAABLO
NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CCC(=O)N1	ZINC000013815126	483348768	/nfs/dbraw/zinc/34/87/68/483348768.db2.gz	XNSAINXGIQZQOO-UTUOFQBUSA-N	1	2	362.390	-1.808	40	0		FAABLO
Cn1c(SCC(=O)N2CC[NH+](C)CC2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000019289667	220247097	/nfs/dbraw/zinc/24/70/97/220247097.db2.gz	OTQAIUGELSIYTP-UHFFFAOYSA-N	1	2	366.447	-1.163	40	0		FAABLO
CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3[C@@H](O)[C@H](O)[C@H](O)CO)C2=O	ZINC000019323149	483713917	/nfs/dbraw/zinc/71/39/17/483713917.db2.gz	AAPGTVLJFQIDHP-YIBCYSADSA-N	1	2	356.463	-1.114	40	0		FAABLO
CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3[C@@H](O)[C@@H](O)[C@H](O)CO)C2=O	ZINC000019323154	483713616	/nfs/dbraw/zinc/71/36/16/483713616.db2.gz	AAPGTVLJFQIDHP-FIYFUKMKSA-N	1	2	356.463	-1.114	40	0		FAABLO
CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3[C@@H](O)[C@@H](O)[C@@H](O)CO)C2=O	ZINC000019327778	220249489	/nfs/dbraw/zinc/24/94/89/220249489.db2.gz	AAPGTVLJFQIDHP-RJDCIFIZSA-N	1	2	356.463	-1.114	40	0		FAABLO
CC(C)C12CN3CC(C(C)C)(C[NH+](C1)C3[C@@H](O)[C@H](O)[C@@H](O)CO)C2=O	ZINC000019331345	482781221	/nfs/dbraw/zinc/78/12/21/482781221.db2.gz	AAPGTVLJFQIDHP-YITJKGPOSA-N	1	2	356.463	-1.114	40	0		FAABLO
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccccn3)C2)C1=O	ZINC000225383121	483708997	/nfs/dbraw/zinc/70/89/97/483708997.db2.gz	UTRRJPXXIVHXJP-KGLIPLIRSA-N	1	2	374.397	-1.387	40	0	biogenic,in-vitro	FAABLO
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3cccnc3)C2)C1=O	ZINC000225383165	483708841	/nfs/dbraw/zinc/70/88/41/483708841.db2.gz	IQRUXFKJCKCFBF-KGLIPLIRSA-N	1	2	374.397	-1.387	40	0	biogenic,in-vitro	FAABLO
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccncc3)C2)C1=O	ZINC000225383215	483708834	/nfs/dbraw/zinc/70/88/34/483708834.db2.gz	RZPUDKXHLHWUBB-KGLIPLIRSA-N	1	2	374.397	-1.387	40	0	biogenic,in-vitro	FAABLO
COC(=O)CN1C(=O)[C@@H]2C[C@@H](O)CN2C2(C[NH+](Cc3ccoc3)C2)C1=O	ZINC000225387301	483708577	/nfs/dbraw/zinc/70/85/77/483708577.db2.gz	HNNKPBWQTNHTOS-OLZOCXBDSA-N	1	2	363.370	-1.189	40	0	biogenic,in-vitro	FAABLO
C[NH+]1CC2(C1)C(=O)N(CCCN1CCCC1=O)C(=O)[C@@H]1C[C@@H](O)CN12	ZINC000225393923	483709048	/nfs/dbraw/zinc/70/90/48/483709048.db2.gz	XSTNWGBHXWHDDD-OLZOCXBDSA-N	1	2	350.419	-1.513	40	0	biogenic,in-vitro	FAABLO
C[NH+](C)Cc1cn(C[C@H]2C[C@@H](NC(=O)c3cnccn3)[C@H](O)[C@@H]2O)nn1	ZINC000225509591	483712282	/nfs/dbraw/zinc/71/22/82/483712282.db2.gz	HZNATIXUUSBOQR-LTZCYQRMSA-N	1	2	361.406	-1.330	40	0	biogenic,in-vitro	FAABLO
CC(C)S(=O)(=O)N[C@@H]1C[C@H](Cn2cc(C[NH+](C)C)nn2)[C@@H](O)[C@H]1O	ZINC000225510172	483712370	/nfs/dbraw/zinc/71/23/70/483712370.db2.gz	PYCCJZFVFXUMEJ-ZRJCITRHSA-N	1	2	361.468	-1.222	40	0	biogenic,in-vitro	FAABLO
CS(=O)(=O)NC[C@]1(O)CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1O	ZINC000257207802	482961369	/nfs/dbraw/zinc/96/13/69/482961369.db2.gz	BJIBXTILWRGKBC-DGCLKSJQSA-N	1	2	351.425	-2.808	40	0		FAABLO
CS(=O)(=O)NC[C@]1(O)CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1O	ZINC000257207802	482961359	/nfs/dbraw/zinc/96/13/59/482961359.db2.gz	BJIBXTILWRGKBC-DGCLKSJQSA-N	1	2	351.425	-2.808	40	0		FAABLO
O=C(CCCn1cncn1)N[C@@H]1CCC[C@@H]([N@H+]2CCNC(=O)C2)[C@@H]1O	ZINC000257227770	534392217	/nfs/dbraw/zinc/39/22/17/534392217.db2.gz	FQUPANURVXXGOV-XJKCOSOUSA-N	1	2	350.423	-1.112	40	0		FAABLO
O=C(CCCn1cncn1)N[C@@H]1CCC[C@@H]([N@@H+]2CCNC(=O)C2)[C@@H]1O	ZINC000257227770	534392207	/nfs/dbraw/zinc/39/22/07/534392207.db2.gz	FQUPANURVXXGOV-XJKCOSOUSA-N	1	2	350.423	-1.112	40	0		FAABLO
C[C@@]1(O)CC[N@@H+](CC(=O)N2CCOCC2)C[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257236522	223032620	/nfs/dbraw/zinc/03/26/20/223032620.db2.gz	HCOPHRVLLDXSRE-MLGOLLRUSA-N	1	2	352.391	-1.195	40	0		FAABLO
C[C@@]1(O)CC[N@H+](CC(=O)N2CCOCC2)C[C@H]1n1ccc(=O)[nH]c1=O	ZINC000257236522	223032617	/nfs/dbraw/zinc/03/26/17/223032617.db2.gz	HCOPHRVLLDXSRE-MLGOLLRUSA-N	1	2	352.391	-1.195	40	0		FAABLO
Cc1cc(N2CC[C@](O)(CN(C)C(=O)CNS(C)(=O)=O)C2)nc[nH+]1	ZINC000257260576	482962006	/nfs/dbraw/zinc/96/20/06/482962006.db2.gz	LDLXJLDIVRKRMK-AWEZNQCLSA-N	1	2	357.436	-1.266	40	0		FAABLO
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CNS(C)(=O)=O)C2)nc[nH+]1	ZINC000257260577	482961907	/nfs/dbraw/zinc/96/19/07/482961907.db2.gz	LDLXJLDIVRKRMK-CQSZACIVSA-N	1	2	357.436	-1.266	40	0		FAABLO
Cn1c2ncn([C@H]3C[N@@H+](CC(N)=O)CC[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000257337623	482963083	/nfs/dbraw/zinc/96/30/83/482963083.db2.gz	YTPGBHAGDIAMKK-VFZGTOFNSA-N	1	2	350.379	-2.083	40	0		FAABLO
Cn1c2ncn([C@H]3C[N@H+](CC(N)=O)CC[C@]3(C)O)c2c(=O)n(C)c1=O	ZINC000257337623	482963080	/nfs/dbraw/zinc/96/30/80/482963080.db2.gz	YTPGBHAGDIAMKK-VFZGTOFNSA-N	1	2	350.379	-2.083	40	0		FAABLO
CN(C)S(=O)(=O)N1Cc2c[nH+]cn2[C@@H](CCNS(C)(=O)=O)C1	ZINC000306123789	483103202	/nfs/dbraw/zinc/10/32/02/483103202.db2.gz	AWRUPWDGYALESP-JTQLQIEISA-N	1	2	351.454	-1.015	40	0		FAABLO
CN(C)S(=O)(=O)N1Cc2c[nH+]cn2[C@H](CCNS(C)(=O)=O)C1	ZINC000306123790	483103476	/nfs/dbraw/zinc/10/34/76/483103476.db2.gz	AWRUPWDGYALESP-SNVBAGLBSA-N	1	2	351.454	-1.015	40	0		FAABLO
CC(=O)N1CC[NH+](C[C@@H]2OC[C@H](NC(=O)C3CCOCC3)[C@H]2O)CC1	ZINC000514288422	483344679	/nfs/dbraw/zinc/34/46/79/483344679.db2.gz	DWBIACIYGJFARM-HRCADAONSA-N	1	2	355.435	-1.178	40	0	biogenic,in-vitro	FAABLO
CC(=O)N1CC[NH+](C[C@@H]2OC[C@H](NC(=O)N3CCOCC3)[C@H]2O)CC1	ZINC000514289444	482678667	/nfs/dbraw/zinc/67/86/67/482678667.db2.gz	UKMUTDGVAQYATM-SOUVJXGZSA-N	1	2	356.423	-1.679	40	0	biogenic,in-vitro	FAABLO
Cc1ccn(CC(=O)N2CC[NH+]([C@@H]3COC[C@@H](O)[C@H]3O)CC2)c(=O)c1	ZINC000585287726	482649481	/nfs/dbraw/zinc/64/94/81/482649481.db2.gz	CMEQGEDPQKQZCT-CPUCHLNUSA-N	1	2	351.403	-1.578	40	0		FAABLO
Cn1c[nH+]cc1CN1CC2(C1)CN(S(C)(=O)=O)C[C@@H]1COCCN12	ZINC000604382294	482889915	/nfs/dbraw/zinc/88/99/15/482889915.db2.gz	NLSBPIDGBXIVIM-CQSZACIVSA-N	1	2	355.464	-1.050	40	0	biogenic,in-vitro	FAABLO