smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000036160000	518990911	/nfs/dbraw/zinc/99/09/11/518990911.db2.gz	SQWVHPSUCARXIF-OAHLLOKOSA-N	1	1	405.564	2.885	10	30		HFEEMO
C=CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000036160000	518990913	/nfs/dbraw/zinc/99/09/13/518990913.db2.gz	SQWVHPSUCARXIF-OAHLLOKOSA-N	1	1	405.564	2.885	10	30		HFEEMO
C#CCOC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036159401	518295913	/nfs/dbraw/zinc/29/59/13/518295913.db2.gz	QNLQDKSNYWBRRM-INIZCTEOSA-N	1	1	417.575	2.722	10	30		HFEEMO
C#CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036159401	518295920	/nfs/dbraw/zinc/29/59/20/518295920.db2.gz	QNLQDKSNYWBRRM-INIZCTEOSA-N	1	1	417.575	2.722	10	30		HFEEMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@@H](O)c2cc(F)ccc2F)C1	ZINC000328603739	569417071	/nfs/dbraw/zinc/41/70/71/569417071.db2.gz	HAFCGIGRYRIPKQ-FZKQIMNGSA-N	1	1	408.449	2.552	10	30		HFEEMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@@H](O)c2cc(F)ccc2F)C1	ZINC000328603739	569417072	/nfs/dbraw/zinc/41/70/72/569417072.db2.gz	HAFCGIGRYRIPKQ-FZKQIMNGSA-N	1	1	408.449	2.552	10	30		HFEEMO
C=CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12	ZINC000033821821	518878514	/nfs/dbraw/zinc/87/85/14/518878514.db2.gz	CEBPPLHARXWWJP-NAZDKBRTSA-N	1	1	413.477	2.698	10	30		HFEEMO
C[C@H](NC(=S)N/N=C1\C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccccc1	ZINC000020551401	525276245	/nfs/dbraw/zinc/27/62/45/525276245.db2.gz	VWNDNANXOHJXTC-PSWJZVBSSA-N	1	1	419.598	2.767	10	30		HFEEMO
COc1ccccc1NC(=S)N/N=C1\C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3	ZINC000020275040	558353620	/nfs/dbraw/zinc/35/36/20/558353620.db2.gz	OZQRHBJZLVHTBP-NJNXFGOHSA-N	1	1	421.570	2.537	10	30		HFEEMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@H+](C[C@H](O)c2cc(F)ccc2F)C1	ZINC000328603736	569417103	/nfs/dbraw/zinc/41/71/03/569417103.db2.gz	HAFCGIGRYRIPKQ-ACJLOTCBSA-N	1	1	408.449	2.552	10	30		HFEEMO
COCCNC(=O)c1c[nH]nc1[C@@H]1CCC[N@@H+](C[C@H](O)c2cc(F)ccc2F)C1	ZINC000328603736	569417104	/nfs/dbraw/zinc/41/71/04/569417104.db2.gz	HAFCGIGRYRIPKQ-ACJLOTCBSA-N	1	1	408.449	2.552	10	30		HFEEMO
C=CCOC[C@@H](O)C[N@@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000036159995	518984080	/nfs/dbraw/zinc/98/40/80/518984080.db2.gz	SQWVHPSUCARXIF-HNNXBMFYSA-N	1	1	405.564	2.885	10	30		HFEEMO
C=CCOC[C@@H](O)C[N@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3	ZINC000036159995	518984086	/nfs/dbraw/zinc/98/40/86/518984086.db2.gz	SQWVHPSUCARXIF-HNNXBMFYSA-N	1	1	405.564	2.885	10	30		HFEEMO
C=CCON1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1nc3ccccc3s1)CC2	ZINC000072158681	558544442	/nfs/dbraw/zinc/54/44/42/558544442.db2.gz	LBNVPUJHKPFJLN-OAHLLOKOSA-N	1	1	415.515	2.770	10	30		HFEEMO
CC(C)(O)C#Cc1ccc(CN2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)s1	ZINC000038149463	519330575	/nfs/dbraw/zinc/33/05/75/519330575.db2.gz	CNUQDVNTCHLETJ-OAQYLSRUSA-N	1	1	412.599	2.982	10	30		HFEEMO
Cc1cccc(NC(=S)N/N=C2\C3CN4CC2(c2ccccc2)C[N@@H+](C3)CC4)c1	ZINC000020408321	558360648	/nfs/dbraw/zinc/36/06/48/558360648.db2.gz	KKVVZYDJEJIJML-NJNXFGOHSA-N	1	1	405.571	2.836	10	30		HFEEMO
C#CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000169677974	569126707	/nfs/dbraw/zinc/12/67/07/569126707.db2.gz	UECFPFUEBHACTF-GGAORHGYSA-N	1	1	408.498	2.701	10	30		HFEEMO
C#CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000036146983	518304978	/nfs/dbraw/zinc/30/49/78/518304978.db2.gz	UECFPFUEBHACTF-JTHBVZDNSA-N	1	1	408.498	2.701	10	30		HFEEMO
C#CCOC[C@H](O)C[N@@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036159406	518307725	/nfs/dbraw/zinc/30/77/25/518307725.db2.gz	QNLQDKSNYWBRRM-MRXNPFEDSA-N	1	1	417.575	2.722	10	30		HFEEMO
C#CCOC[C@H](O)C[N@H+](CCC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3	ZINC000036159406	518307731	/nfs/dbraw/zinc/30/77/31/518307731.db2.gz	QNLQDKSNYWBRRM-MRXNPFEDSA-N	1	1	417.575	2.722	10	30		HFEEMO
C#CCOC[C@@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036146980	518305890	/nfs/dbraw/zinc/30/58/90/518305890.db2.gz	UECFPFUEBHACTF-GMAHTHKFSA-N	1	1	408.498	2.701	10	30		HFEEMO
C#CCOC[C@H](O)C[N@H+](CCc1nc(-c2cccc(OC)c2)no1)Cc1ccccc1	ZINC000036155292	518311131	/nfs/dbraw/zinc/31/11/31/518311131.db2.gz	FVCQWCCJTUVGNL-OAQYLSRUSA-N	1	1	421.497	2.801	10	30		HFEEMO
S=C(N/N=C1\C2CN3CC1(Cc1ccccc1)C[N@@H+](C2)CC3)Nc1ccccc1	ZINC000103548827	559156303	/nfs/dbraw/zinc/15/63/03/559156303.db2.gz	VCTNOKWGKYQUJQ-NJNXFGOHSA-N	1	1	405.571	2.819	10	30		HFEEMO
C#CCOC[C@@H](O)C[N@H+](CCc1nc(-c2cccc(OC)c2)no1)Cc1ccccc1	ZINC000036155289	518299439	/nfs/dbraw/zinc/29/94/39/518299439.db2.gz	FVCQWCCJTUVGNL-NRFANRHFSA-N	1	1	421.497	2.801	10	30		HFEEMO
C[C@@H](NC(=S)N/N=C1\C2CN3CC1(c1ccccc1)C[N@@H+](C2)CC3)c1ccccc1	ZINC000020551399	525386025	/nfs/dbraw/zinc/38/60/25/525386025.db2.gz	VWNDNANXOHJXTC-PBURJXKYSA-N	1	1	419.598	2.767	10	30		HFEEMO
C#CCOC[C@H](O)C[N@H+](Cc1cccc(OC)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104983252	560859025	/nfs/dbraw/zinc/85/90/25/560859025.db2.gz	UECFPFUEBHACTF-FYYLOGMGSA-N	1	1	408.498	2.701	10	30		HFEEMO
C=CCON1C(=O)C[C@@H](C(=O)OC)C12CC[NH+](Cc1nc3ccccc3s1)CC2	ZINC000072158680	518998474	/nfs/dbraw/zinc/99/84/74/518998474.db2.gz	LBNVPUJHKPFJLN-HNNXBMFYSA-N	1	1	415.515	2.770	10	30		HFEEMO