smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc(S(=O)(=O)[N-]C(=O)C2(Br)S(=O)(=O)OCCOS2(=O)=O)cc1	ZINC000001633785	194130031	/nfs/dbraw/zinc/13/00/31/194130031.db2.gz	HNOGECDIDSCQNM-UHFFFAOYSA-N	-1	0	478.320	0.395	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@](C)(O)[C@@H]3C[C@@H]12	ZINC000002168248	194157662	/nfs/dbraw/zinc/15/76/62/194157662.db2.gz	CYDMQBQPVICBEU-OZWUOJCZSA-N	-1	0	478.885	0.439	40	30		JCEBRM
COc1cc(OC)nc(NC(=O)N=S(=O)([O-])c2ccc(NC=O)cc2C(=O)N(C)C)n1	ZINC000002540057	554233797	/nfs/dbraw/zinc/23/37/97/554233797.db2.gz	YBVUPWOFPHADCB-UHFFFAOYSA-N	-1	0	452.449	0.479	40	30		JCEBRM
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000004019704	554472217	/nfs/dbraw/zinc/47/22/17/554472217.db2.gz	FFTVPQUHLQBXQZ-KVUCHLLUSA-N	-1	0	457.483	0.030	40	30	investigational	JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000004574555	522239506	/nfs/dbraw/zinc/23/95/06/522239506.db2.gz	FFTVPQUHLQBXQZ-WTIUCFQTSA-N	-1	0	457.483	0.030	40	30		JCEBRM
CSc1nc(N[C@H]2OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(N=C(C)C(C)=O)c(=O)[n-]1	ZINC000005545612	526215404	/nfs/dbraw/zinc/21/54/04/526215404.db2.gz	BHIGAJQJWPZXJF-YCIAMONTSA-N	-1	0	498.514	0.737	40	30		JCEBRM
CSc1nc(N[C@@H]2OC[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(N=C(C)C(C)=O)c(=O)[n-]1	ZINC000005545614	526213868	/nfs/dbraw/zinc/21/38/68/526213868.db2.gz	BHIGAJQJWPZXJF-VJOPXJPKSA-N	-1	0	498.514	0.737	40	30		JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000006507058	554547879	/nfs/dbraw/zinc/54/78/79/554547879.db2.gz	FFTVPQUHLQBXQZ-PYOFKWECSA-N	-1	0	457.483	0.030	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@](C)(O)[C@H]3C[C@H]12	ZINC000008681708	562951268	/nfs/dbraw/zinc/95/12/68/562951268.db2.gz	CYDMQBQPVICBEU-HLGPQYHHSA-N	-1	0	478.885	0.439	40	30		JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000009211800	554981738	/nfs/dbraw/zinc/98/17/38/554981738.db2.gz	FFTVPQUHLQBXQZ-KLURGKLGSA-N	-1	0	457.483	0.030	40	30		JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000009302287	555075030	/nfs/dbraw/zinc/07/50/30/555075030.db2.gz	FFTVPQUHLQBXQZ-LKAKZKOMSA-N	-1	0	457.483	0.030	40	30		JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000013783865	555618226	/nfs/dbraw/zinc/61/82/26/555618226.db2.gz	DYKFCLLONBREIL-NZSJYHRGSA-N	-1	0	457.483	0.187	40	30		JCEBRM
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)[O-]	ZINC000015215583	555884565	/nfs/dbraw/zinc/88/45/65/555884565.db2.gz	VJQANBSDAGCDJE-UHFFFAOYSA-N	-1	0	460.528	0.660	40	30	biogenic,in-vitro	JCEBRM
C[NH+](C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@@](C)(O)[C@@H]3C[C@@H]12	ZINC000016605477	522091551	/nfs/dbraw/zinc/09/15/51/522091551.db2.gz	CYDMQBQPVICBEU-RKCTXISMSA-N	-1	0	478.885	0.439	40	30	in-vitro	JCEBRM
NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2/C=C2\S/C(=N/CC(=O)[O-])NC2=O)cc1	ZINC000016779088	527316081	/nfs/dbraw/zinc/31/60/81/527316081.db2.gz	FGZRFWTYCVEPDL-SXGWCWSVSA-N	-1	0	490.519	0.996	40	30		JCEBRM
COC(=O)[C@@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)c1ccc2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000017125198	523572246	/nfs/dbraw/zinc/57/22/46/523572246.db2.gz	LJMCDFPVUNBDPZ-OAHLLOKOSA-N	-1	0	483.437	0.315	40	30		JCEBRM
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000018272309	556318342	/nfs/dbraw/zinc/31/83/42/556318342.db2.gz	DYKFCLLONBREIL-XDZLDNBXSA-N	-1	0	457.483	0.187	40	30	in-vitro	JCEBRM
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000019800830	556378312	/nfs/dbraw/zinc/37/83/12/556378312.db2.gz	DYKFCLLONBREIL-BJEQLJQGSA-N	-1	0	457.483	0.187	40	30	biogenic,in-vitro	JCEBRM
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000019800831	556378171	/nfs/dbraw/zinc/37/81/71/556378171.db2.gz	DYKFCLLONBREIL-DCCRXGOGSA-N	-1	0	457.483	0.187	40	30	biogenic,in-vitro	JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000019800832	556378147	/nfs/dbraw/zinc/37/81/47/556378147.db2.gz	DYKFCLLONBREIL-VODOJQOBSA-N	-1	0	457.483	0.187	40	30	biogenic,in-vitro	JCEBRM
CN(C)c1ccc(O)c2c1C[C@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000019868839	555523398	/nfs/dbraw/zinc/52/33/98/555523398.db2.gz	DYKFCLLONBREIL-OLQLPNTFSA-N	-1	0	457.483	0.187	40	30	in-vitro	JCEBRM
C[NH+](C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000022054932	522092294	/nfs/dbraw/zinc/09/22/94/522092294.db2.gz	CYDMQBQPVICBEU-XRZQSNOTSA-N	-1	0	478.885	0.439	40	30	in-vitro	JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000026955544	556266629	/nfs/dbraw/zinc/26/66/29/556266629.db2.gz	DYKFCLLONBREIL-AIWOOYGZSA-N	-1	0	457.483	0.187	40	30		JCEBRM
COC(=O)[C@H](CCCNC(N)=N[N+](=O)[O-])NC(=O)c1ccc2c(c1[O-])C(=O)c1ccccc1C2=O	ZINC000031959644	556411925	/nfs/dbraw/zinc/41/19/25/556411925.db2.gz	LJMCDFPVUNBDPZ-HNNXBMFYSA-N	-1	0	483.437	0.315	40	30		JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000036372474	569773611	/nfs/dbraw/zinc/77/36/11/569773611.db2.gz	DYKFCLLONBREIL-OBPQCYFVSA-N	-1	0	457.483	0.187	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@](C)(O)[C@@H]3C[C@H]12	ZINC000036384910	563128577	/nfs/dbraw/zinc/12/85/77/563128577.db2.gz	CYDMQBQPVICBEU-MJFPMWIQSA-N	-1	0	478.885	0.439	40	30		JCEBRM
C[NH+](C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000044019566	522093465	/nfs/dbraw/zinc/09/34/65/522093465.db2.gz	CYDMQBQPVICBEU-OZNIMKERSA-N	-1	0	478.885	0.439	40	30		JCEBRM
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000060298588	569608637	/nfs/dbraw/zinc/60/86/37/569608637.db2.gz	SEPIRJBAIBYOSG-ISFNZQQKSA-N	-1	0	476.869	0.059	40	30	in-vitro	JCEBRM
C=C[C@@]1(C)CC[C@@H]2C(=CC[C@H]3[C@](C)(CO[C@H]4O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@@H](O)C[C@@]32C)C1	ZINC000073409951	569704531	/nfs/dbraw/zinc/70/45/31/569704531.db2.gz	OGWGSXSVNPTIPG-NCKMEOMUSA-N	-1	0	496.597	0.972	40	30		JCEBRM
C=C[C@]1(C)CC[C@@H]2C(=CC[C@H]3[C@](C)(CO[C@H]4O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@@H](O)C[C@@]32C)C1	ZINC000073409955	569704591	/nfs/dbraw/zinc/70/45/91/569704591.db2.gz	OGWGSXSVNPTIPG-BNXYGETISA-N	-1	0	496.597	0.972	40	30		JCEBRM
C=C[C@@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(CO[C@H]4O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@@H](O)C[C@]23C)C1	ZINC000073409958	569704544	/nfs/dbraw/zinc/70/45/44/569704544.db2.gz	OGWGSXSVNPTIPG-KHZRVUQHSA-N	-1	0	496.597	0.972	40	30		JCEBRM
C=C[C@]1(C)CC[C@H]2C(=CC[C@H]3[C@](C)(CO[C@H]4O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@@H](O)C[C@]23C)C1	ZINC000073409961	519304216	/nfs/dbraw/zinc/30/42/16/519304216.db2.gz	OGWGSXSVNPTIPG-JXRATPNLSA-N	-1	0	496.597	0.972	40	30		JCEBRM
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@H](O)[C@@H]12	ZINC000078832372	569706759	/nfs/dbraw/zinc/70/67/59/569706759.db2.gz	RNIADBXQDMCFEN-BMWPDRKBSA-N	-1	0	476.869	0.059	40	30		JCEBRM
C[NH+](C)[C@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@](C)(O)[C@@H]3C[C@@H]12	ZINC000090424177	569720735	/nfs/dbraw/zinc/72/07/35/569720735.db2.gz	CYDMQBQPVICBEU-YGICBHAUSA-N	-1	0	478.885	0.439	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12	ZINC000100302624	569757109	/nfs/dbraw/zinc/75/71/09/569757109.db2.gz	DHPRQBPJLMKORJ-XRNKAMNCSA-N	-1	0	478.885	0.282	40	30	in-vitro	JCEBRM
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100409820	569759354	/nfs/dbraw/zinc/75/93/54/569759354.db2.gz	CUJCFMVUUMIFDR-NNQQPRJISA-N	-1	0	457.483	0.030	40	30	in-vitro	JCEBRM
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2[O-]	ZINC000100409824	569759338	/nfs/dbraw/zinc/75/93/38/569759338.db2.gz	CUJCFMVUUMIFDR-WYYBVBQMSA-N	-1	0	457.483	0.030	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@](C)(O)[C@H]3C[C@H]12	ZINC000103618312	569836761	/nfs/dbraw/zinc/83/67/61/569836761.db2.gz	WKZUQOQLOHMCQC-ILESYJOJSA-N	-1	0	478.885	0.282	40	30		JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000111342134	569860923	/nfs/dbraw/zinc/86/09/23/569860923.db2.gz	CUJCFMVUUMIFDR-YWBNVVQVSA-N	-1	0	457.483	0.030	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@](C)(O)[C@@H]3C[C@H]12	ZINC000137350593	569864909	/nfs/dbraw/zinc/86/49/09/569864909.db2.gz	WKZUQOQLOHMCQC-KTFBMHOXSA-N	-1	0	478.885	0.282	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@H](O)[C@H]3C[C@@H]12	ZINC000137643649	569865091	/nfs/dbraw/zinc/86/50/91/569865091.db2.gz	HXPZLYXFFSKHJA-PCTQSLDASA-N	-1	0	464.858	0.108	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@H](O)[C@H]3C[C@H]12	ZINC000137644074	569865088	/nfs/dbraw/zinc/86/50/88/569865088.db2.gz	HXPZLYXFFSKHJA-LLGWDFPLSA-N	-1	0	464.858	0.108	40	30		JCEBRM
CN(C)c1ccc(O)c2c1C[C@@H]1C[C@@H]3[C@@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@]3(O)C(=O)C1=C2[O-]	ZINC000138649904	569866131	/nfs/dbraw/zinc/86/61/31/569866131.db2.gz	CUJCFMVUUMIFDR-IZWUPQEZSA-N	-1	0	457.483	0.030	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@](C)(O)[C@H]3C[C@@H]12	ZINC000149193683	569867955	/nfs/dbraw/zinc/86/79/55/569867955.db2.gz	WKZUQOQLOHMCQC-NLICNFPWSA-N	-1	0	478.885	0.282	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@H](O)[C@H]3C[C@@H]12	ZINC000198711495	569873876	/nfs/dbraw/zinc/87/38/76/569873876.db2.gz	GUXHBMASAHGULD-KXPGYZOPSA-N	-1	0	464.858	0.108	40	30	investigational	JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@H](O)[C@H]3C[C@H]12	ZINC000198711525	569873870	/nfs/dbraw/zinc/87/38/70/569873870.db2.gz	GUXHBMASAHGULD-YZUGRECPSA-N	-1	0	464.858	0.108	40	30	investigational	JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@H](O)[C@@H]3C[C@@H]12	ZINC000255977795	570106505	/nfs/dbraw/zinc/10/65/05/570106505.db2.gz	HXPZLYXFFSKHJA-HEOLAMTRSA-N	-1	0	464.858	0.108	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@H](O)[C@@H]3C[C@H]12	ZINC000255977796	570106532	/nfs/dbraw/zinc/10/65/32/570106532.db2.gz	HXPZLYXFFSKHJA-OBCFKVNKSA-N	-1	0	464.858	0.108	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@](C)(O)[C@@H]3C[C@@H]12	ZINC000256073697	570107102	/nfs/dbraw/zinc/10/71/02/570107102.db2.gz	WKZUQOQLOHMCQC-LWRSDOOSSA-N	-1	0	478.885	0.282	40	30		JCEBRM
C[NH+](C)[C@@H]1C([O-])=C(C(N)=O)C(=O)[C@]2(O)C(=O)C3=C([O-])c4c(O)ccc(Cl)c4[C@H](O)[C@@H]3C[C@@H]12	ZINC000256418753	570107127	/nfs/dbraw/zinc/10/71/27/570107127.db2.gz	GUXHBMASAHGULD-KLYILOHOSA-N	-1	0	464.858	0.108	40	30	investigational	JCEBRM
CCOc1cccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1OCC(=O)[O-]	ZINC000409218285	570173448	/nfs/dbraw/zinc/17/34/48/570173448.db2.gz	ZXKBTSBPYKSJDB-UCQKPKSFSA-N	-1	0	487.517	0.853	40	30		JCEBRM
C=C1c2c(Cl)ccc(O)c2C([O-])=C2C(=O)[C@]3(O)C(=O)C(C(N)=O)=C([O-])[C@H]([NH+](C)C)[C@@H]3[C@@H](O)[C@H]12	ZINC000521205741	1069983088	/nfs/dbraw/zinc/98/30/88/1069983088.db2.gz	RNIADBXQDMCFEN-MLIDHKFDSA-N	-1	0	476.869	0.059	40	30		JCEBRM
N#Cc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@H]2[N-]C(=O)C(Cl)(Cl)Cl)c1	ZINC000575421428	1069728824	/nfs/dbraw/zinc/72/88/24/1069728824.db2.gz	ICJPHFIVCFZUSA-GHMZBOCLSA-N	-1	0	460.748	0.489	40	30		JCEBRM
N#Cc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@H]2[N-]C(=O)C(Cl)(Cl)Cl)c1	ZINC000575421429	1069728842	/nfs/dbraw/zinc/72/88/42/1069728842.db2.gz	ICJPHFIVCFZUSA-MNOVXSKESA-N	-1	0	460.748	0.489	40	30		JCEBRM
N#Cc1cccc(S(=O)(=O)N[C@H]2CS(=O)(=O)C[C@@H]2[N-]C(=O)C(Cl)(Cl)Cl)c1	ZINC000575421430	1069728880	/nfs/dbraw/zinc/72/88/80/1069728880.db2.gz	ICJPHFIVCFZUSA-QWRGUYRKSA-N	-1	0	460.748	0.489	40	30		JCEBRM
N#Cc1cccc(S(=O)(=O)N[C@@H]2CS(=O)(=O)C[C@@H]2[N-]C(=O)C(Cl)(Cl)Cl)c1	ZINC000575421431	1069728862	/nfs/dbraw/zinc/72/88/62/1069728862.db2.gz	ICJPHFIVCFZUSA-WDEREUQCSA-N	-1	0	460.748	0.489	40	30		JCEBRM