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-])=NS(=O)(=O)c1ccc(N)cc1	ZINC000000053961	181184419	/nfs/dbraw/zinc/18/44/19/181184419.db2.gz	WVAKABMNNSMCDK-UHFFFAOYSA-N	-1	1	215.234	-0.170	50	30	world	BBEAMM
NC(=O)[N-]S(=O)(=O)c1ccc(N)cc1	ZINC000000053961	181184415	/nfs/dbraw/zinc/18/44/15/181184415.db2.gz	WVAKABMNNSMCDK-UHFFFAOYSA-N	-1	1	215.234	-0.170	50	30	world	BBEAMM
CC1(C)C(=O)N(O)C(C)(C)C(=O)N1[O-]	ZINC000000135789	383833852	/nfs/dbraw/zinc/83/38/52/383833852.db2.gz	CKULDOGZGMGAMT-UHFFFAOYSA-N	-1	1	202.210	-0.007	50	30		BBEAMM
COC(=O)CNc1cc[n-]c(=O)c1C#N	ZINC000000218718	369371341	/nfs/dbraw/zinc/37/13/41/369371341.db2.gz	JQACFMAFJLHQPN-UHFFFAOYSA-N	-1	1	207.189	-0.169	50	30		BBEAMM
C=CCn1c([O-])c(C(C)=O)c(=O)[nH]c1=S	ZINC000000477893	166350311	/nfs/dbraw/zinc/35/03/11/166350311.db2.gz	WVXPLRGGKFJXDJ-LURJTMIESA-N	-1	1	226.257	-0.379	50	30		BBEAMM
C=CCn1c([O-])c(C(C)=O)c(=O)[nH]c1=S	ZINC000000477894	166350908	/nfs/dbraw/zinc/35/09/08/166350908.db2.gz	WVXPLRGGKFJXDJ-ZCFIWIBFSA-N	-1	1	226.257	-0.379	50	30		BBEAMM
C=C(C)Cn1c(=O)[n-]c(=O)n(CC(=C)C)c1=O	ZINC000000507991	188225545	/nfs/dbraw/zinc/22/55/45/188225545.db2.gz	AIOFRKJUNGZPMK-UHFFFAOYSA-N	-1	1	237.259	-0.150	50	30		BBEAMM
C=CCn1c([O-])c(C(C)=O)c(=O)[nH]c1=O	ZINC000001270227	353122978	/nfs/dbraw/zinc/12/29/78/353122978.db2.gz	FWTJSMKUGQXZDS-UHFFFAOYSA-N	-1	1	210.189	-0.369	50	30		BBEAMM
O=C1C(=O)N(O)[C@@H]2CCCC[C@H]2N1[O-]	ZINC000004271696	397922501	/nfs/dbraw/zinc/92/25/01/397922501.db2.gz	QBIMPGNQKASPJE-PHDIDXHHSA-N	-1	1	200.194	-0.253	50	30		BBEAMM
O=C1C(=O)N(O)[C@H]2CCCC[C@@H]2N1[O-]	ZINC000004271705	397922601	/nfs/dbraw/zinc/92/26/01/397922601.db2.gz	QBIMPGNQKASPJE-WDSKDSINSA-N	-1	1	200.194	-0.253	50	30		BBEAMM
O=C1Nc2ccccc2C1=NNc1nnn[n-]1	ZINC000004498980	384381857	/nfs/dbraw/zinc/38/18/57/384381857.db2.gz	XEXLCDODRYLRCH-UHFFFAOYSA-N	-1	1	229.203	-0.032	50	30		BBEAMM
COc1nc(/C(N)=N\[O-])nc(N2CCCC2)n1	ZINC000004615855	175388523	/nfs/dbraw/zinc/38/85/23/175388523.db2.gz	CDEIDGKPVXZGTL-UHFFFAOYSA-N	-1	1	238.251	-0.425	50	30		BBEAMM
COc1nc(/C(N)=N\[O-])nc(N(C)C)n1	ZINC000004693931	175388687	/nfs/dbraw/zinc/38/86/87/175388687.db2.gz	UPQLKSHCMJARQS-UHFFFAOYSA-N	-1	1	212.213	-0.959	50	30		BBEAMM
CN1CCN(/C(=N\[O-])c2nonc2N)CC1	ZINC000004698725	173062163	/nfs/dbraw/zinc/06/21/63/173062163.db2.gz	IHJJWBVRTIYDPA-NTMALXAHSA-N	-1	1	226.240	-0.965	50	30		BBEAMM
Oc1ccc(CN=Nc2nn[n-]n2)c(O)c1O	ZINC000004947550	183267339	/nfs/dbraw/zinc/26/73/39/183267339.db2.gz	ZFRVAKGMZZQHFK-YCRREMRBSA-N	-1	1	236.191	-0.238	50	30		BBEAMM
COC(=O)[C@H]1C(=O)C(C(N)=O)=C([O-])C[C@H]1C	ZINC000005322172	387489935	/nfs/dbraw/zinc/48/99/35/387489935.db2.gz	LPIIDZGXDSGVRA-INEUFUBQSA-N	-1	1	227.216	-0.318	50	30		BBEAMM
COC(=O)[C@@H]1C(=O)C(C(N)=O)=C([O-])C[C@H]1C	ZINC000005322183	360485865	/nfs/dbraw/zinc/48/58/65/360485865.db2.gz	LPIIDZGXDSGVRA-XINAWCOVSA-N	-1	1	227.216	-0.318	50	30		BBEAMM
COC(=O)[C@H]1C(=O)C(C(N)=O)=C([O-])C[C@@H]1C	ZINC000005322206	360485641	/nfs/dbraw/zinc/48/56/41/360485641.db2.gz	LPIIDZGXDSGVRA-UJURSFKZSA-N	-1	1	227.216	-0.318	50	30		BBEAMM
COC(=O)[C@@H]1C(=O)C(C(N)=O)=C([O-])C[C@@H]1C	ZINC000005322212	360485878	/nfs/dbraw/zinc/48/58/78/360485878.db2.gz	LPIIDZGXDSGVRA-NJGYIYPDSA-N	-1	1	227.216	-0.318	50	30		BBEAMM
CC(=O)Nc1nnc(S(C)(=O)=O)[n-]1	ZINC000005458450	188277544	/nfs/dbraw/zinc/27/75/44/188277544.db2.gz	GHETWLORERYLSK-UHFFFAOYSA-N	-1	1	204.211	-0.184	50	30		BBEAMM
CC(=O)Nc1nc(S(C)(=O)=O)n[n-]1	ZINC000005458450	188277543	/nfs/dbraw/zinc/27/75/43/188277543.db2.gz	GHETWLORERYLSK-UHFFFAOYSA-N	-1	1	204.211	-0.184	50	30		BBEAMM
CC(=O)C=Cc1c([O-])[nH]c(=S)[nH]c1=O	ZINC000005495238	342764910	/nfs/dbraw/zinc/76/49/10/342764910.db2.gz	KVCXJCZDBLDWHV-NSCUHMNNSA-N	-1	1	212.230	-0.721	50	30		BBEAMM
C=CCn1c(=O)[n-]c(=O)n(CC=C)c1=O	ZINC000008926230	190977686	/nfs/dbraw/zinc/97/76/86/190977686.db2.gz	UCBVELLBUAKUNE-UHFFFAOYSA-N	-1	1	209.205	-0.930	50	30		BBEAMM
C=CCNC(=O)CSc1nc(N)cc(=O)[n-]1	ZINC000009703623	166372985	/nfs/dbraw/zinc/37/29/85/166372985.db2.gz	ICIXBGRTYARBJY-UHFFFAOYSA-N	-1	1	240.288	-0.254	50	30		BBEAMM
C1CN2CCC1C(N=Nc1nnn[n-]1)C2	ZINC000012343600	342849642	/nfs/dbraw/zinc/84/96/42/342849642.db2.gz	IKCBOJZPHTXFHV-CLFYSBASSA-N	-1	1	207.241	-0.307	50	30		BBEAMM
Cc1nonc1C1=NNC(=N\[O-])/C1=N\O	ZINC000013810301	342872161	/nfs/dbraw/zinc/87/21/61/342872161.db2.gz	XIUHTKHCIDAZCM-UHFFFAOYSA-N	-1	1	210.153	-0.697	50	30		BBEAMM
O=C1C(=O)N(O)[C@@H]2CCCC[C@@H]2N1[O-]	ZINC000018270529	342936064	/nfs/dbraw/zinc/93/60/64/342936064.db2.gz	QBIMPGNQKASPJE-OLQVQODUSA-N	-1	1	200.194	-0.253	50	30		BBEAMM
O=C1C(=O)N(O)[C@H]2CCCC[C@H]2N1[O-]	ZINC000018270529	342936061	/nfs/dbraw/zinc/93/60/61/342936061.db2.gz	QBIMPGNQKASPJE-OLQVQODUSA-N	-1	1	200.194	-0.253	50	30		BBEAMM
C=CCN1C(=O)C(=CNCC)C(=O)[N-]C1=S	ZINC000019595318	166350902	/nfs/dbraw/zinc/35/09/02/166350902.db2.gz	MFYRVRXMXMPFSG-SREVYHEPSA-N	-1	1	239.300	-0.091	50	30		BBEAMM
CC(=O)ON[C@@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000025628715	188356468	/nfs/dbraw/zinc/35/64/68/188356468.db2.gz	UZPURUBLTOVTLR-ZETCQYMHSA-N	-1	1	213.193	-0.527	50	30		BBEAMM
CC(=O)ON[C@H](Cc1cnc[nH]1)C(=O)[O-]	ZINC000025628723	398125783	/nfs/dbraw/zinc/12/57/83/398125783.db2.gz	UZPURUBLTOVTLR-SSDOTTSWSA-N	-1	1	213.193	-0.527	50	30		BBEAMM
CCc1cc(=O)[n-]c(-n2ncc(C#N)c2N)n1	ZINC000026420854	357097947	/nfs/dbraw/zinc/09/79/47/357097947.db2.gz	ADLXDOKHORVLBT-UHFFFAOYSA-N	-1	1	230.231	-0.028	50	30		BBEAMM
C#CC[N-]S(=O)(=O)c1ncn(C)c1Cl	ZINC000027955609	166191239	/nfs/dbraw/zinc/19/12/39/166191239.db2.gz	OZCWDCJFICGGFY-UHFFFAOYSA-N	-1	1	233.680	-0.015	50	30		BBEAMM
CC(=NNc1nc2[nH]ncc2c(=O)[nH]1)C(=O)[O-]	ZINC000036636121	187249811	/nfs/dbraw/zinc/24/98/11/187249811.db2.gz	QPIOJEJNSFKONP-BASWHVEKSA-N	-1	1	236.191	-0.481	50	30		BBEAMM
C#CCNC(=O)c1ccc(S(=O)(=O)[N-]C)o1	ZINC000044918188	166185566	/nfs/dbraw/zinc/18/55/66/166185566.db2.gz	ZQDNXBUIGJUKIF-UHFFFAOYSA-N	-1	1	242.256	-0.449	50	30		BBEAMM
C=CCn1c2[nH]c(=O)[n-]c2c(=O)n(CC)c1=O	ZINC000100853860	386778807	/nfs/dbraw/zinc/77/88/07/386778807.db2.gz	VKDAOHOHPAEINP-UHFFFAOYSA-N	-1	1	236.231	-0.202	50	30		BBEAMM
Cn1c2[n-]c(N=[N+]=[N-])nc2c(=O)n(C)c1=O	ZINC000101392465	386644296	/nfs/dbraw/zinc/64/42/96/386644296.db2.gz	JOZXKYQGJPHRPF-UHFFFAOYSA-N	-1	1	221.180	-0.098	50	30		BBEAMM
Cn1c2nc(N=[N+]=[N-])[n-]c2c(=O)n(C)c1=O	ZINC000101392465	386644290	/nfs/dbraw/zinc/64/42/90/386644290.db2.gz	JOZXKYQGJPHRPF-UHFFFAOYSA-N	-1	1	221.180	-0.098	50	30		BBEAMM
Cc1[n-]n(C)c(=O)c1N=Nc1[nH]cnc1C(N)=O	ZINC000102571558	168134678	/nfs/dbraw/zinc/13/46/78/168134678.db2.gz	HTZHQXFMDAHJRX-WLRTZDKTSA-N	-1	1	249.234	-0.876	50	30		BBEAMM
Cc1[n-]n(C)c(=O)c1N=Nc1[nH]cnc1C(N)=O	ZINC000252609529	364012690	/nfs/dbraw/zinc/01/26/90/364012690.db2.gz	HTZHQXFMDAHJRX-UHFFFAOYSA-N	-1	1	249.234	-0.876	50	30		BBEAMM
CN1CCN(C(=N[O-])c2nonc2N)CC1	ZINC000252611195	364048266	/nfs/dbraw/zinc/04/82/66/364048266.db2.gz	IHJJWBVRTIYDPA-UHFFFAOYSA-N	-1	1	226.240	-0.965	50	30		BBEAMM
C#CC[N-]S(=O)(=O)c1c(C)onc1N	ZINC000289533578	353631742	/nfs/dbraw/zinc/63/17/42/353631742.db2.gz	QNQYWRGKNUEPMN-UHFFFAOYSA-N	-1	1	215.234	-0.523	50	30		BBEAMM