smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCN1C(=O)[C@@]2(SC1=S)[C@H](c1cccc(OC)c1)C[N@@H+](C)[C@]21c2cc(OC)ccc2N(C)C1=O	ZINC000067189433	554529856	/nfs/dbraw/zinc/52/98/56/554529856.db2.gz	NVTNLJZKLBFXCY-XZZVZQAVSA-N	1	1	509.653	3.390	40	30		KGEBMO
C=CCN1C(=O)[C@@]2(SC1=S)[C@H](c1cccc(OC)c1)C[N@H+](C)[C@]21c2cc(OC)ccc2N(C)C1=O	ZINC000067189433	554529852	/nfs/dbraw/zinc/52/98/52/554529852.db2.gz	NVTNLJZKLBFXCY-XZZVZQAVSA-N	1	1	509.653	3.390	40	30		KGEBMO
CN(C)S(=O)(=O)c1cc(/N=C/c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)ccc1N1CCCCC1	ZINC000100257735	554264726	/nfs/dbraw/zinc/26/47/26/554264726.db2.gz	WJQCLUMPYYDYCB-LGUFXXKBSA-N	1	1	514.652	3.338	40	30		KGEBMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc(N3CCCCC3)c(S(=O)(=O)N3CCOCC3)c2)CC1	ZINC000100270077	554268839	/nfs/dbraw/zinc/26/88/39/554268839.db2.gz	KVGTXYSCGKMBDZ-SGWCAAJKSA-N	1	1	556.689	3.108	40	30		KGEBMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2/C=N/c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCCCC3)c2)CC1	ZINC000100270090	554268877	/nfs/dbraw/zinc/26/88/77/554268877.db2.gz	XSFICTKBRHNBMP-SGWCAAJKSA-N	1	1	556.689	3.108	40	30		KGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319390	554726957	/nfs/dbraw/zinc/72/69/57/554726957.db2.gz	TUPHRMRQAVQINI-ZLDSNXLKSA-N	1	1	524.709	3.357	40	30		KGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319393	554726917	/nfs/dbraw/zinc/72/69/17/554726917.db2.gz	TUPHRMRQAVQINI-SBLBCILWSA-N	1	1	524.709	3.357	40	30		KGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@H]32)c(C)c1	ZINC000101319395	554726996	/nfs/dbraw/zinc/72/69/96/554726996.db2.gz	TUPHRMRQAVQINI-HOVHKQMYSA-N	1	1	524.709	3.357	40	30		KGEBMO
CC[NH+](CC)c1ccc(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@@H]3CS(=O)(=O)C[C@@H]32)c(C)c1	ZINC000101319398	554726932	/nfs/dbraw/zinc/72/69/32/554726932.db2.gz	TUPHRMRQAVQINI-OTSMZHERSA-N	1	1	524.709	3.357	40	30		KGEBMO
NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2ccc(N3CC[NH+](Cc4ccccc4)CC3)c([N+](=O)[O-])c2)CC1	ZINC000150375975	571466407	/nfs/dbraw/zinc/46/64/07/571466407.db2.gz	OEAKXRSJKXXDLH-UZWMFBFFSA-N	1	1	650.718	3.157	40	30		KGEBMO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1ccc(N(C)C)c(Br)c1	ZINC000408953819	1059040986	/nfs/dbraw/zinc/04/09/86/1059040986.db2.gz	PEKUSOUZLAVKKO-IRWRDOPVSA-N	1	1	590.475	3.036	40	30		KGEBMO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1ccc(N(C)C)c(Br)c1	ZINC000408953821	1059793167	/nfs/dbraw/zinc/79/31/67/1059793167.db2.gz	PEKUSOUZLAVKKO-IYYUSKDXSA-N	1	1	590.475	3.036	40	30		KGEBMO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1ccc(N(C)C)c(Br)c1	ZINC000408953823	1059793680	/nfs/dbraw/zinc/79/36/80/1059793680.db2.gz	PEKUSOUZLAVKKO-JKUJXJLCSA-N	1	1	590.475	3.036	40	30		KGEBMO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1ccc(N(C)C)c(Br)c1	ZINC000408953825	1059041305	/nfs/dbraw/zinc/04/13/05/1059041305.db2.gz	PEKUSOUZLAVKKO-RLWCNIOGSA-N	1	1	590.475	3.036	40	30		KGEBMO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000408956589	1059790863	/nfs/dbraw/zinc/79/08/63/1059790863.db2.gz	RNQKTPJDHSOLIH-AVMFPXLXSA-N	1	1	596.641	3.106	40	30		KGEBMO
CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000408956595	1059790997	/nfs/dbraw/zinc/79/09/97/1059790997.db2.gz	RNQKTPJDHSOLIH-PSTCCKRPSA-N	1	1	596.641	3.106	40	30		KGEBMO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000408956596	1059043466	/nfs/dbraw/zinc/04/34/66/1059043466.db2.gz	RNQKTPJDHSOLIH-XQGAZVOYSA-N	1	1	596.641	3.106	40	30		KGEBMO
CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)N[NH+]=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1	ZINC000408956597	1059790922	/nfs/dbraw/zinc/79/09/22/1059790922.db2.gz	RNQKTPJDHSOLIH-ZXLOOTFSSA-N	1	1	596.641	3.106	40	30		KGEBMO
Cc1nc(Nc2nc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cs2)cc([C@@H]2CCCN(CC#N)C2)n1	ZINC000585294887	1059118291	/nfs/dbraw/zinc/11/82/91/1059118291.db2.gz	VWVBYAOFRCOQKH-HSZRJFAPSA-N	1	1	546.701	3.450	40	30		KGEBMO
Cc1nc(Nc2nc(C(=O)NCc3cccc(C[NH+]4CCOCC4)c3)cs2)cc([C@H]2CCCN(CC#N)C2)n1	ZINC000585294888	1059118446	/nfs/dbraw/zinc/11/84/46/1059118446.db2.gz	VWVBYAOFRCOQKH-QHCPKHFHSA-N	1	1	546.701	3.450	40	30		KGEBMO
C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCC[N@@H+]3C)nc3c2CCN(c2cc(O)cc4ccccc42)C3)C[C@@H]1CC#N	ZINC001560403858	1060050121	/nfs/dbraw/zinc/05/01/21/1060050121.db2.gz	YKGVCHZNLOIACZ-ZEQRLZLVSA-N	1	1	567.694	3.488	40	30		KGEBMO