smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NC(=O)CC2(C)N=NC([S-])NN2)c(OC)c1	ZINC000005614250	435992290	/nfs/dbraw/zinc/99/22/90/435992290.db2.gz	CRZLCXWQERQXDY-UHFFFAOYSA-N	-1	3	325.394	0.236	40	10		ECCBHM
Cn1ccnc1CN1C(=O)CO[C@H]2CN(Cc3ccccc3[O-])C[C@H]21	ZINC000067897340	436727425	/nfs/dbraw/zinc/72/74/25/436727425.db2.gz	HIBCMJPJXKSCMY-ZBFHGGJFSA-N	-1	3	342.399	0.738	40	10	biogenic,in-vitro	ECCBHM
Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@H]2c1ccccc1[O-]	ZINC000104279736	436559307	/nfs/dbraw/zinc/55/93/07/436559307.db2.gz	SUUOGRUISBCPBE-OAHLLOKOSA-N	-1	3	341.371	0.918	40	10		ECCBHM
Cc1cc(=O)n2c(n1)NC(N1CCOCC1)=N[C@@H]2c1ccccc1[O-]	ZINC000104279732	280305837	/nfs/dbraw/zinc/30/58/37/280305837.db2.gz	SUUOGRUISBCPBE-HNNXBMFYSA-N	-1	3	341.371	0.918	40	10		ECCBHM
CC(=O)N1C[C@@H]2CN(Cc3ccccc3[O-])CCN2[C@](C)(CO)C1	ZINC000514288325	438814082	/nfs/dbraw/zinc/81/40/82/438814082.db2.gz	BYGYPBMKUWFKPT-WMZOPIPTSA-N	-1	3	333.432	0.492	40	10	biogenic,in-vitro	ECCBHM
CC(C)N1C(=O)[C@H]2[C@H](c3ccccc3[O-])[NH2+][C@@](C)(C(=O)[O-])[C@@H]2C1=O	ZINC000004597945	210228550	/nfs/dbraw/zinc/22/85/50/210228550.db2.gz	PYLBGKORTKMTSH-ZOPJHEKZSA-N	-1	3	332.356	0.889	40	10		ECCBHM
COc1c([O-])ccc(C=C2C(=O)N(C)C(=O)N(C)C2=O)c1[N+](=O)[O-]	ZINC000408717986	254764721	/nfs/dbraw/zinc/76/47/21/254764721.db2.gz	PYFIPYUVGDUJTA-UHFFFAOYSA-N	-1	3	335.272	0.743	40	10		ECCBHM
O=S1(=O)N[C@@H]2CN(Cc3ccccc3[O-])C[C@@H]2Oc2ncccc21	ZINC000514289561	438813347	/nfs/dbraw/zinc/81/33/47/438813347.db2.gz	LDHBHESZNGIKLU-OCCSQVGLSA-N	-1	3	347.396	0.711	40	10	biogenic,in-vitro	ECCBHM
COc1cc(/C=C2\SC([N-]C(C)=O)=NC2=O)ccc1OCC(N)=O	ZINC000408532259	438582525	/nfs/dbraw/zinc/58/25/25/438582525.db2.gz	TWAOVFOLZOCYMD-SDQBBNPISA-N	-1	3	349.368	0.666	40	10		ECCBHM
CC(=O)N1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3[O-])C2)C1	ZINC000514289517	438811959	/nfs/dbraw/zinc/81/19/59/438811959.db2.gz	NAJXUFYBZPNIAV-JKSUJKDBSA-N	-1	3	331.416	0.244	40	10	biogenic,in-vitro	ECCBHM
CC(=O)N1C[C@@H]2COCCN2C2(CN(Cc3ccccc3[O-])C2)C1	ZINC000604382024	439313277	/nfs/dbraw/zinc/31/32/77/439313277.db2.gz	ZLOHQKSXQZQJEN-MRXNPFEDSA-N	-1	3	331.416	0.510	40	10	biogenic,in-vitro	ECCBHM
CC(=O)N1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3[O-])C2)C1	ZINC000514289516	438814059	/nfs/dbraw/zinc/81/40/59/438814059.db2.gz	NAJXUFYBZPNIAV-HZPDHXFCSA-N	-1	3	331.416	0.244	40	10	biogenic,in-vitro	ECCBHM
CC(C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](c1ccccc1[O-])[NH2+][C@@]2(C)C(=O)[O-]	ZINC000019857175	212076290	/nfs/dbraw/zinc/07/62/90/212076290.db2.gz	PYLBGKORTKMTSH-APNQJHFZSA-N	-1	3	332.356	0.889	40	10		ECCBHM
Cc1ccccc1N1C(=O)C(=CNCCN(C)C)C(=O)[N-]C1=S	ZINC000100933622	219111585	/nfs/dbraw/zinc/11/15/85/219111585.db2.gz	ZKZARTMPPXCRGG-BENRWUELSA-N	-1	3	332.429	0.778	40	10		ECCBHM
CC(C)N1C(=O)[C@@H]2[C@@H](C1=O)[C@](C)(C(=O)[O-])[NH2+][C@@H]2c1ccccc1[O-]	ZINC000004597946	435979347	/nfs/dbraw/zinc/97/93/47/435979347.db2.gz	PYLBGKORTKMTSH-IPJQOSJUSA-N	-1	3	332.356	0.889	40	10		ECCBHM