smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1	ZINC000001530594	212249227	/nfs/dbraw/zinc/24/92/27/212249227.db2.gz	NNULBSISHYWZJU-MGIXRURHSA-N	-1	0	383.411	-0.556	40	30		GBEBRM
COC(=O)[C@@]1(OC(=O)CCC(=O)[O-])C(=O)NC2=C1C(=O)c1ccccc1C2=O	ZINC000001591391	570265652	/nfs/dbraw/zinc/26/56/52/570265652.db2.gz	WXJGNITZZJQVEN-SFHVURJKSA-N	-1	0	387.300	-0.231	40	30		GBEBRM
O=C([O-])c1ccccc1C(=O)NCC1S(=O)(=O)OCCOS1(=O)=O	ZINC000001644432	206388407	/nfs/dbraw/zinc/38/84/07/206388407.db2.gz	ZDDLMDFQFAKVED-UHFFFAOYSA-N	-1	0	379.368	-0.853	40	30		GBEBRM
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=CCS[C@@H]12)c1csc(N)n1	ZINC000003830478	209455328	/nfs/dbraw/zinc/45/53/28/209455328.db2.gz	NNULBSISHYWZJU-CHIKPUOMSA-N	-1	0	383.411	-0.556	40	30		GBEBRM
COC(=O)[C@]1(OC(=O)CCC(=O)[O-])C(=O)NC2=C1C(=O)c1ccccc1C2=O	ZINC000005663618	220891410	/nfs/dbraw/zinc/89/14/10/220891410.db2.gz	WXJGNITZZJQVEN-GOSISDBHSA-N	-1	0	387.300	-0.231	40	30		GBEBRM
C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N\[O-])c3csc(N)[nH+]3)[C@@H]2SC1	ZINC000008584440	204280336	/nfs/dbraw/zinc/28/03/36/204280336.db2.gz	RTXOFQZKPXMALH-HWQDRANHSA-N	-1	0	395.422	-0.172	40	30		GBEBRM
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CO)CS[C@H]12)c1ccco1	ZINC000013552105	522736621	/nfs/dbraw/zinc/73/66/21/522736621.db2.gz	OUSLHGWWWMRAIG-FBCAJUAOSA-N	-1	0	381.366	-0.639	40	30	in-vitro	GBEBRM
C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)[nH+]3)[C@@H]2SC1	ZINC000014768518	570574129	/nfs/dbraw/zinc/57/41/29/570574129.db2.gz	RTXOFQZKPXMALH-GZPQMAAYSA-N	-1	0	395.422	-0.172	40	30		GBEBRM
C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)/C(=N/[O-])c3csc(N)[nH+]3)[C@@H]2SC1	ZINC000014768522	570574204	/nfs/dbraw/zinc/57/42/04/570574204.db2.gz	RTXOFQZKPXMALH-HBNYPJHTSA-N	-1	0	395.422	-0.172	40	30		GBEBRM
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[C@H](O)[C@H](O)CO	ZINC000016384602	570912831	/nfs/dbraw/zinc/91/28/31/570912831.db2.gz	UBDKXPAVOKUBAO-FBCVIKKGSA-N	-1	0	397.262	-0.459	40	30		GBEBRM
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[C@H](O)[C@@H](O)CO	ZINC000016384605	570912775	/nfs/dbraw/zinc/91/27/75/570912775.db2.gz	UBDKXPAVOKUBAO-BYJCRFLISA-N	-1	0	397.262	-0.459	40	30		GBEBRM
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[C@@H](O)[C@H](O)CO	ZINC000016384608	570912919	/nfs/dbraw/zinc/91/29/19/570912919.db2.gz	UBDKXPAVOKUBAO-PZXKOSHMSA-N	-1	0	397.262	-0.459	40	30		GBEBRM
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[C@@H](O)[C@@H](O)CO	ZINC000016384611	570912665	/nfs/dbraw/zinc/91/26/65/570912665.db2.gz	UBDKXPAVOKUBAO-ZNKMVTFISA-N	-1	0	397.262	-0.459	40	30		GBEBRM
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12)c1csc(N)n1	ZINC000026892317	204849605	/nfs/dbraw/zinc/84/96/05/204849605.db2.gz	MQLRYUCJDNBWMV-RWFJUVPESA-N	-1	0	397.438	-0.166	40	30		GBEBRM
C=CC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)/C(=N/[O-])c3csc(N)[nH+]3)[C@H]2SC1	ZINC000033940339	570574299	/nfs/dbraw/zinc/57/42/99/570574299.db2.gz	RTXOFQZKPXMALH-ZPDFADLTSA-N	-1	0	395.422	-0.172	40	30		GBEBRM
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[C@H](O)[C@H](O)CO	ZINC000035193483	570366635	/nfs/dbraw/zinc/36/66/35/570366635.db2.gz	UBDKXPAVOKUBAO-YENTVNKMSA-N	-1	0	397.262	-0.459	40	30		GBEBRM
O=C([O-])C(NNc1cc(C(F)(F)F)ccc1[N+](=O)[O-])C(=O)[C@@H](O)[C@H](O)CO	ZINC000035193485	570366771	/nfs/dbraw/zinc/36/67/71/570366771.db2.gz	UBDKXPAVOKUBAO-SXCRKEAUSA-N	-1	0	397.262	-0.459	40	30		GBEBRM
Nc1ncnc(NCCOC([O-])=NS(=O)(=O)N2CCCC2)c1[N+](=O)[O-]	ZINC000071195155	527575135	/nfs/dbraw/zinc/57/51/35/527575135.db2.gz	LSFDVZGNTHQXLE-UHFFFAOYSA-N	-1	0	375.367	-0.350	40	30		GBEBRM
O=C(ON1C(=O)C[C@H](S(=O)(=O)[O-])C1=O)c1ccc(N2C(=O)C=CC2=O)cc1	ZINC000100359328	526433206	/nfs/dbraw/zinc/43/32/06/526433206.db2.gz	OMENURZCQGIVPW-JTQLQIEISA-N	-1	0	394.317	-0.797	40	30		GBEBRM
O=C(ON1C(=O)C[C@@H](S(=O)(=O)[O-])C1=O)c1ccc(N2C(=O)C=CC2=O)cc1	ZINC000100359334	526432661	/nfs/dbraw/zinc/43/26/61/526432661.db2.gz	OMENURZCQGIVPW-SNVBAGLBSA-N	-1	0	394.317	-0.797	40	30		GBEBRM
COCCN1C(=O)/C(=C\N/N=C2\c3ccccc3N(C)C2=O)C(=O)NC1=S	ZINC000105339093	570426539	/nfs/dbraw/zinc/42/65/39/570426539.db2.gz	UFHNBQVTMUIVNB-KTZSODNASA-N	-1	0	387.421	-0.270	40	30		GBEBRM
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(C)CS[C@H]12)c1csc(N)n1	ZINC000255988328	570757721	/nfs/dbraw/zinc/75/77/21/570757721.db2.gz	MQLRYUCJDNBWMV-PRHODGIISA-N	-1	0	397.438	-0.166	40	30		GBEBRM
CON=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1	ZINC000271776507	530230506	/nfs/dbraw/zinc/23/05/06/530230506.db2.gz	NNULBSISHYWZJU-LDYMZIIASA-N	-1	0	383.411	-0.556	40	30		GBEBRM