smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([N-]c1nnc(-c2ccccc2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000004276183 206175415 /nfs/dbraw/zinc/17/54/15/206175415.db2.gz FDJRSROVGAXCAR-UHFFFAOYSA-N -1 1 366.358 4.112 50 5 FIBAMM O=C1[N-]C(=S)SC1=Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1 ZINC000015723664 571110090 /nfs/dbraw/zinc/11/00/90/571110090.db2.gz DPSAGOHGVAVHML-GHXNOFRVSA-N -1 1 359.388 4.111 50 5 FIBAMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)cc1 ZINC000001116130 571146759 /nfs/dbraw/zinc/14/67/59/571146759.db2.gz JJACQWGAYUOPAX-UHFFFAOYSA-N -1 1 370.386 4.188 50 5 FIBAMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(-c2ccccc2)c1 ZINC000004980329 204182463 /nfs/dbraw/zinc/18/24/63/204182463.db2.gz AJFXFKRUSBJFGU-UHFFFAOYSA-N -1 1 368.414 4.371 50 5 FIBAMM COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C2SC(=S)[N-]C2=O)o1 ZINC000002285281 206155014 /nfs/dbraw/zinc/15/50/14/206155014.db2.gz MIKZZXMWRNGMPD-NTUHNPAUSA-N -1 1 362.388 4.193 50 5 FIBAMM O=C([N-]c1nnc(C2CCCCC2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000001114543 571146800 /nfs/dbraw/zinc/14/68/00/571146800.db2.gz KMTJANPKTNGXBG-UHFFFAOYSA-N -1 1 366.830 4.400 50 5 FIBAMM Cc1ccc(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c(C)c1 ZINC000004479471 206178397 /nfs/dbraw/zinc/17/83/97/206178397.db2.gz GLCJFKRCBJVGIF-UHFFFAOYSA-N -1 1 372.768 4.167 50 5 FIBAMM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000004828563 570512570 /nfs/dbraw/zinc/51/25/70/570512570.db2.gz UWYUGKDEBITLMJ-UHFFFAOYSA-N -1 1 361.206 4.011 50 5 FIBAMM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] ZINC000005257050 204200142 /nfs/dbraw/zinc/20/01/42/204200142.db2.gz ISTLIQBMVXPUCJ-UHFFFAOYSA-N -1 1 361.206 4.011 50 5 FIBAMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(C3CCCCC3)cc2)c1 ZINC000001234552 206147463 /nfs/dbraw/zinc/14/74/63/206147463.db2.gz DMHNCZDXJWGSOB-UHFFFAOYSA-N -1 1 360.435 4.443 50 5 FIBAMM O=C([N-]c1nnc(CC2CCCC2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000006240586 206200576 /nfs/dbraw/zinc/20/05/76/206200576.db2.gz AJVPQDCIIDMGLU-UHFFFAOYSA-N -1 1 366.830 4.085 50 5 FIBAMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cc2)c1 ZINC000003900000 204114121 /nfs/dbraw/zinc/11/41/21/204114121.db2.gz OTPUCRGVRWPRCR-UHFFFAOYSA-N -1 1 354.387 4.063 50 5 FIBAMM O=C([N-]c1nnc(C2CCCCC2)s1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000001114840 571146745 /nfs/dbraw/zinc/14/67/45/571146745.db2.gz YVDPWWRRIGSHSK-UHFFFAOYSA-N -1 1 366.830 4.400 50 5 FIBAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc3ccccc3c2)ccc1Cl ZINC000005652777 206240291 /nfs/dbraw/zinc/24/02/91/206240291.db2.gz SBNRBOSJIGSENC-UHFFFAOYSA-N -1 1 362.794 4.202 50 5 FIBAMM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc3c2cccc3[N+](=O)[O-])c1 ZINC000004980353 204182235 /nfs/dbraw/zinc/18/22/35/204182235.db2.gz XSCXQTPETONYRL-UHFFFAOYSA-N -1 1 356.403 4.166 50 5 FIBAMM O=C([N-]c1nnc(-c2ccccc2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000004070413 206166922 /nfs/dbraw/zinc/16/69/22/206166922.db2.gz AXPSTVFGTWNGIR-UHFFFAOYSA-N -1 1 360.782 4.019 50 5 FIBAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000085411860 571113361 /nfs/dbraw/zinc/11/33/61/571113361.db2.gz MTGZCPWTQDQEBC-INIZCTEOSA-N -1 1 372.450 4.476 50 5 FIBAMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Nc3ccccc3)cc2)cc1 ZINC000000971839 571140968 /nfs/dbraw/zinc/14/09/68/571140968.db2.gz RFAKYJWAQIUPFV-UHFFFAOYSA-N -1 1 369.402 4.139 50 5 FIBAMM Cc1sc2nc(-c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[n-]c(=O)c2c1C ZINC000001198458 571165509 /nfs/dbraw/zinc/16/55/09/571165509.db2.gz RALJILQNACHCRE-UHFFFAOYSA-N -1 1 367.386 4.437 50 5 FIBAMM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Cl ZINC000004702153 571163309 /nfs/dbraw/zinc/16/33/09/571163309.db2.gz ZQCSNXGDDQHPDB-UHFFFAOYSA-N -1 1 361.206 4.011 50 5 FIBAMM Cc1ccc(C)c(-c2nnc([N-]C(=O)c3cc([N+](=O)[O-])ccc3Cl)o2)c1 ZINC000004479510 570796274 /nfs/dbraw/zinc/79/62/74/570796274.db2.gz JAQMLALKZQNRJG-UHFFFAOYSA-N -1 1 372.768 4.167 50 5 FIBAMM CCc1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Oc2ccccc2)s1 ZINC000040128752 571081797 /nfs/dbraw/zinc/08/17/97/571081797.db2.gz SIPFHWHGBSDSBA-UHFFFAOYSA-N -1 1 370.390 4.053 50 5 FIBAMM Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000001156539 219382167 /nfs/dbraw/zinc/38/21/67/219382167.db2.gz LEFHCZNIKOPSTL-UHFFFAOYSA-N -1 1 368.414 4.371 50 5 FIBAMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Nc3ccccc3)cc2)c1 ZINC000004957258 207067004 /nfs/dbraw/zinc/06/70/04/207067004.db2.gz VDYNULSQWSGVBS-UHFFFAOYSA-N -1 1 369.402 4.139 50 5 FIBAMM CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccc([N+](=O)[O-])o4)[n-]c(=O)c32)C1 ZINC000002815044 206938312 /nfs/dbraw/zinc/93/83/12/206938312.db2.gz SWSKVCVASIXBCS-SECBINFHSA-N -1 1 373.434 4.304 50 5 FIBAMM O=C([N-]c1nnc(CC2CCCC2)s1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000002789406 570672035 /nfs/dbraw/zinc/67/20/35/570672035.db2.gz RERQGOLWBWYFGG-UHFFFAOYSA-N -1 1 366.830 4.085 50 5 FIBAMM O=C([N-]c1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc([N+](=O)[O-])o1 ZINC000012867098 571130596 /nfs/dbraw/zinc/13/05/96/571130596.db2.gz RZUUEUWBDJEVMC-UHFFFAOYSA-N -1 1 371.330 4.417 50 5 FIBAMM Cc1ccccc1-c1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000004072283 571210655 /nfs/dbraw/zinc/21/06/55/571210655.db2.gz ZYJQTKOUUQBLHF-UHFFFAOYSA-N -1 1 374.809 4.327 50 5 FIBAMM CCC(C)(C)c1nnc([N-]C(=O)c2ccc(Cl)cc2[N+](=O)[O-])s1 ZINC000001005610 219352416 /nfs/dbraw/zinc/35/24/16/219352416.db2.gz WGOCBCLPZAVVLB-UHFFFAOYSA-N -1 1 354.819 4.040 50 5 FIBAMM Cc1ccc(Cl)cc1[N-]c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000104224499 209260118 /nfs/dbraw/zinc/26/01/18/209260118.db2.gz CESLGKHYJOZAKG-UHFFFAOYSA-N -1 1 352.690 4.117 50 5 FIBAMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(-c2ccccc2)cc1 ZINC000004980328 207067451 /nfs/dbraw/zinc/06/74/51/207067451.db2.gz RHZHWFIGPYCWOQ-UHFFFAOYSA-N -1 1 368.414 4.371 50 5 FIBAMM O=c1cc(-c2cc3c(ccc4ccccc43)oc2=O)c2ccc([O-])cc2o1 ZINC000002123081 571278716 /nfs/dbraw/zinc/27/87/16/571278716.db2.gz VOKOLUUQBZNEHL-UHFFFAOYSA-N -1 1 356.333 4.425 50 5 biogenic FIBAMM CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccc([N+](=O)[O-])o4)[n-]c(=O)c32)C1 ZINC000002815043 571341281 /nfs/dbraw/zinc/34/12/81/571341281.db2.gz SWSKVCVASIXBCS-VIFPVBQESA-N -1 1 373.434 4.304 50 5 FIBAMM CCC(C)(C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000001005609 219352550 /nfs/dbraw/zinc/35/25/50/219352550.db2.gz RYUQMKPYCNSLPA-UHFFFAOYSA-N -1 1 354.819 4.040 50 5 FIBAMM O=C([N-]c1nnc(-c2cccs2)o1)c1cc2cc([N+](=O)[O-])ccc2s1 ZINC000002641534 571339865 /nfs/dbraw/zinc/33/98/65/571339865.db2.gz YZTNIAJYCHVYDO-UHFFFAOYSA-N -1 1 372.387 4.173 50 5 FIBAMM COc1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)cc1[N+](=O)[O-] ZINC000016115957 211155871 /nfs/dbraw/zinc/15/58/71/211155871.db2.gz IVIIARLEXPGRNU-QPEQYQDCSA-N -1 1 362.388 4.193 50 5 FIBAMM CCC[C@@H](C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000001049140 210307771 /nfs/dbraw/zinc/30/77/71/210307771.db2.gz CMJJWBHALYRACQ-MRVPVSSYSA-N -1 1 354.819 4.256 50 5 FIBAMM O=C([N-]c1nnc(CC2CCCC2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000001005733 219352358 /nfs/dbraw/zinc/35/23/58/219352358.db2.gz GVOYTSQPFXYGLU-UHFFFAOYSA-N -1 1 366.830 4.085 50 5 FIBAMM O=C1[N-]C(=S)SC1=Cc1ccc(COc2ccc([N+](=O)[O-])cc2)o1 ZINC000017074519 211178011 /nfs/dbraw/zinc/17/80/11/211178011.db2.gz NDNMGTLEHJNOHM-NTUHNPAUSA-N -1 1 362.388 4.096 50 5 FIBAMM COc1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)c([N+](=O)[O-])c1 ZINC000013842957 211062938 /nfs/dbraw/zinc/06/29/38/211062938.db2.gz PDCLYGIATHFPST-QPEQYQDCSA-N -1 1 362.388 4.193 50 5 FIBAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] ZINC000005610677 570681262 /nfs/dbraw/zinc/68/12/62/570681262.db2.gz DTFPXDSDCGNVPY-UHFFFAOYSA-N -1 1 361.206 4.011 50 5 FIBAMM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cccc3cccnc32)c2ncccc12 ZINC000004409838 570770313 /nfs/dbraw/zinc/77/03/13/570770313.db2.gz OFMVCDNYZIMXSL-UHFFFAOYSA-N -1 1 361.317 4.343 50 5 FIBAMM Cc1cccc(-c2nnc([N-]C(=O)c3cc(Cl)ccc3[N+](=O)[O-])s2)c1 ZINC000004072107 571210562 /nfs/dbraw/zinc/21/05/62/571210562.db2.gz LSQDUPIZPRLRDH-UHFFFAOYSA-N -1 1 374.809 4.327 50 5 FIBAMM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cc(Cl)cc(Cl)c2)c([N+](=O)[O-])c1 ZINC000104206375 222352187 /nfs/dbraw/zinc/35/21/87/222352187.db2.gz LIGZGKCSTQNUKY-UHFFFAOYSA-N -1 1 373.108 4.462 50 5 FIBAMM O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2cccc3ccccc32)c([N+](=O)[O-])c1 ZINC000104217605 222352437 /nfs/dbraw/zinc/35/24/37/222352437.db2.gz RLSORERMWKODJH-UHFFFAOYSA-N -1 1 354.278 4.308 50 5 FIBAMM O=[N+]([O-])c1cccc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccc21 ZINC000004980370 570569790 /nfs/dbraw/zinc/56/97/90/570569790.db2.gz MHNGZXSLGXBEQS-UHFFFAOYSA-N -1 1 362.794 4.202 50 5 FIBAMM O=C([N-]c1nc(-c2ccccc2)ns1)c1ccc([N+](=O)[O-])cc1Cl ZINC000047692653 570930069 /nfs/dbraw/zinc/93/00/69/570930069.db2.gz JGWXCPZGYOLLEX-UHFFFAOYSA-N -1 1 360.782 4.019 50 5 FIBAMM O=C([N-]c1nnc(CC2CCCC2)s1)c1cc([N+](=O)[O-])ccc1Cl ZINC000002789182 571340958 /nfs/dbraw/zinc/34/09/58/571340958.db2.gz VAEVYXLSCGCLEK-UHFFFAOYSA-N -1 1 366.830 4.085 50 5 FIBAMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)c1 ZINC000000805459 210273633 /nfs/dbraw/zinc/27/36/33/210273633.db2.gz FDNAROPSGOCCKP-UHFFFAOYSA-N -1 1 370.386 4.188 50 5 FIBAMM O=[N+]([O-])c1cccc(-c2cc(-c3cc(Br)ccc3[O-])n[nH]2)c1 ZINC000095351715 571328903 /nfs/dbraw/zinc/32/89/03/571328903.db2.gz MIYNNLULSJIJKK-UHFFFAOYSA-N -1 1 360.167 4.120 50 5 FIBAMM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2cccc3[N+](=O)[O-])cc1 ZINC000004980352 570569731 /nfs/dbraw/zinc/56/97/31/570569731.db2.gz WKFMHLFGKKHQTM-UHFFFAOYSA-N -1 1 356.403 4.111 50 5 FIBAMM CCC(C)(C)c1nnc([N-]C(=O)c2cc(Cl)ccc2[N+](=O)[O-])s1 ZINC000001005599 210302297 /nfs/dbraw/zinc/30/22/97/210302297.db2.gz XFXWOBWNCSFCOP-UHFFFAOYSA-N -1 1 354.819 4.040 50 5 FIBAMM O=c1oc2ccc3ccccc3c2cc1-c1nc2cc([N+](=O)[O-])ccc2[n-]1 ZINC000004566817 570836924 /nfs/dbraw/zinc/83/69/24/570836924.db2.gz DEELYHNVGYOIKD-UHFFFAOYSA-N -1 1 357.325 4.398 50 5 FIBAMM CC1=Nc2c(c(=O)[n-]n2C2CCCCC2)[C@@H](c2ccc([N+](=O)[O-])cc2)S1 ZINC000085411864 571113399 /nfs/dbraw/zinc/11/33/99/571113399.db2.gz MTGZCPWTQDQEBC-MRXNPFEDSA-N -1 1 372.450 4.476 50 5 FIBAMM O=C([N-]c1nnc(-c2ccsc2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000058166390 221101291 /nfs/dbraw/zinc/10/12/91/221101291.db2.gz XQLWDNVCLAUOEP-UHFFFAOYSA-N -1 1 366.811 4.081 50 5 FIBAMM CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cc2ccccc2cc1[O-] ZINC000010899404 570960402 /nfs/dbraw/zinc/96/04/02/570960402.db2.gz ZSWYXNBJLISTNZ-UHFFFAOYSA-N -1 1 370.792 4.379 50 5 FIBAMM O=C([N-]c1nnc(C2CCCCC2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000002818696 219467864 /nfs/dbraw/zinc/46/78/64/219467864.db2.gz WLEHRPVHOPXPBR-UHFFFAOYSA-N -1 1 366.830 4.400 50 5 FIBAMM O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 ZINC000004844792 570533524 /nfs/dbraw/zinc/53/35/24/570533524.db2.gz GEMBUUKVHYUCQK-UHFFFAOYSA-N -1 1 370.386 4.188 50 5 FIBAMM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)cc1 ZINC000003002226 571343447 /nfs/dbraw/zinc/34/34/47/571343447.db2.gz XQEOEENDPIWBRP-UHFFFAOYSA-N -1 1 368.414 4.371 50 5 FIBAMM Cc1ccc2[nH]c3c4c(=O)c5ccccc5c([O-])c-4c(=O)cc-3sc2c1 ZINC000004497804 570801071 /nfs/dbraw/zinc/80/10/71/570801071.db2.gz BNLGIWVQPZIDLU-UHFFFAOYSA-N -1 1 359.406 4.423 50 5 FIBAMM Cc1ccc2[nH]c3c(cc([O-])c4c(=O)c5ccccc5c(=O)c34)sc2c1 ZINC000004497804 570801076 /nfs/dbraw/zinc/80/10/76/570801076.db2.gz BNLGIWVQPZIDLU-UHFFFAOYSA-N -1 1 359.406 4.423 50 5 FIBAMM O=C1[N-]C(=O)C(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)S1 ZINC000001863034 571198419 /nfs/dbraw/zinc/19/84/19/571198419.db2.gz HMNVMVICMBEWDL-DHDCSXOGSA-N -1 1 356.359 4.338 50 5 FIBAMM COc1ccc(-c2ccc(C=C3SC(=S)[N-]C3=O)o2)c([N+](=O)[O-])c1 ZINC000002932801 571341893 /nfs/dbraw/zinc/34/18/93/571341893.db2.gz PDCLYGIATHFPST-NTUHNPAUSA-N -1 1 362.388 4.193 50 5 FIBAMM O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2)ccc1Nc1ccccc1 ZINC000003832834 571352670 /nfs/dbraw/zinc/35/26/70/571352670.db2.gz BBFRYSKTTHYWQZ-UHFFFAOYSA-N -1 1 369.402 4.139 50 5 FIBAMM O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3)cc2)c1 ZINC000004354022 570755026 /nfs/dbraw/zinc/75/50/26/570755026.db2.gz BVPWUMTVJAETIH-UHFFFAOYSA-N -1 1 370.386 4.188 50 5 FIBAMM CCc1ccc([N-]S(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] ZINC000026544362 571166426 /nfs/dbraw/zinc/16/64/26/571166426.db2.gz HXRBHFFAUFBZPX-UHFFFAOYSA-N -1 1 356.403 4.111 50 5 FIBAMM O=[N+]([O-])c1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ccc1Cl ZINC000003285103 571346666 /nfs/dbraw/zinc/34/66/66/571346666.db2.gz BUWLOGUXHAFOSV-UHFFFAOYSA-N -1 1 362.794 4.202 50 5 FIBAMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(-c3ccccc3)cc2)c1 ZINC000000888014 219336291 /nfs/dbraw/zinc/33/62/91/219336291.db2.gz PEKWJGUQPDVFNH-UHFFFAOYSA-N -1 1 354.387 4.063 50 5 FIBAMM CCC(C)(C)c1nnc([N-]C(=O)c2cc([N+](=O)[O-])ccc2Cl)s1 ZINC000001005743 219353115 /nfs/dbraw/zinc/35/31/15/219353115.db2.gz HGWKJNHFYWONKX-UHFFFAOYSA-N -1 1 354.819 4.040 50 5 FIBAMM CCC[C@H](C)c1nnc([N-]C(=O)c2ccc([N+](=O)[O-])cc2Cl)s1 ZINC000001049141 219358295 /nfs/dbraw/zinc/35/82/95/219358295.db2.gz CMJJWBHALYRACQ-QMMMGPOBSA-N -1 1 354.819 4.256 50 5 FIBAMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1 ZINC000005012608 570574891 /nfs/dbraw/zinc/57/48/91/570574891.db2.gz GFZKDGOGOSTNQT-UHFFFAOYSA-N -1 1 361.206 4.011 50 5 FIBAMM O=C([N-]c1nnc(-c2ccccc2)s1)c1ccc([N+](=O)[O-])cc1Cl ZINC000005274211 570645721 /nfs/dbraw/zinc/64/57/21/570645721.db2.gz IPVFZHNIBZGSSP-UHFFFAOYSA-N -1 1 360.782 4.019 50 5 FIBAMM O=[N+]([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1 ZINC000001158602 571148156 /nfs/dbraw/zinc/14/81/56/571148156.db2.gz UAUPKEGGWQMACY-UHFFFAOYSA-N -1 1 372.377 4.202 50 5 FIBAMM