smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)(C)c1cc(Br)cc([N+](=O)[O-])c1O ZINC000095883651 260558043 /nfs/dbraw/zinc/55/80/43/260558043.db2.gz IGYZKUXNIXAGHE-UHFFFAOYSA-N 0 1 274.114 3.360 10 5 CGBEMN Cc1cc(N[C@@H]2C[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000228484606 376438028 /nfs/dbraw/zinc/43/80/28/376438028.db2.gz UXVGZEVUGTVVJA-AMIZOPFISA-N 0 1 257.293 3.272 10 5 CGBEMN Cc1cc(N[C@@H]2CCO[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000228486625 393018640 /nfs/dbraw/zinc/01/86/40/393018640.db2.gz BVXWKQLFIUGQDL-GXFFZTMASA-N 0 1 287.319 3.041 10 5 CGBEMN CN1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000044563048 175206992 /nfs/dbraw/zinc/20/69/92/175206992.db2.gz IMJVGLZIUWZYCD-NSHDSACASA-N 0 1 283.759 3.144 10 5 CGBEMN O=[N+]([O-])c1cc(C(F)(F)F)cc2nc(Cl)[nH]c21 ZINC000035976828 344943440 /nfs/dbraw/zinc/94/34/40/344943440.db2.gz URHVTYSXZGDAJF-UHFFFAOYSA-N 0 1 265.578 3.143 10 5 CGBEMN O=c1[nH]c(C2CC2)nc(C2CCCCC2)c1[N+](=O)[O-] ZINC000584634248 346700245 /nfs/dbraw/zinc/70/02/45/346700245.db2.gz ISWUQBROKPCRHE-UHFFFAOYSA-N 0 1 263.297 3.016 10 5 CGBEMN O=[N+]([O-])c1cccc(-c2cc(C(F)(F)F)n[nH]2)c1 ZINC000584637325 346701080 /nfs/dbraw/zinc/70/10/80/346701080.db2.gz XWKAXVVNLQRIIB-UHFFFAOYSA-N 0 1 257.171 3.004 10 5 CGBEMN CC[C@H](N[C@H](C)c1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000180720466 392711983 /nfs/dbraw/zinc/71/19/83/392711983.db2.gz ACFOKKVAIVTZHP-BMIGLBTASA-N 0 1 288.351 3.428 10 5 CGBEMN O=[N+]([O-])c1ccc(-c2nnc(CCc3ccccc3)[nH]2)cc1 ZINC000005999145 170166771 /nfs/dbraw/zinc/16/67/71/170166771.db2.gz GMMHUICZMIBVAG-UHFFFAOYSA-N 0 1 294.314 3.165 10 5 CGBEMN C[C@@H]1N(Cc2csc([N+](=O)[O-])c2)CCC12CCOCC2 ZINC000408203400 379998586 /nfs/dbraw/zinc/99/85/86/379998586.db2.gz KWWBHOHCZJWCKR-NSHDSACASA-N 0 1 296.392 3.047 10 5 CGBEMN CN(C)[C@H](CNc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000302849391 276866828 /nfs/dbraw/zinc/86/68/28/276866828.db2.gz ICJKRDUJFWPBRO-CYBMUJFWSA-N 0 1 293.298 3.042 10 5 CGBEMN Cc1ncsc1[C@H](C)NCc1cccc([N+](=O)[O-])c1 ZINC000052926213 527517581 /nfs/dbraw/zinc/51/75/81/527517581.db2.gz RHTRBMKIACULBS-VIFPVBQESA-N 0 1 277.349 3.211 10 5 CGBEMN CC[C@@H](C)O[P@@H](=O)Cc1cccc([N+](=O)[O-])c1 ZINC000584604330 346690219 /nfs/dbraw/zinc/69/02/19/346690219.db2.gz ZQTOXGABIZFRBH-SECBINFHSA-N 0 1 257.226 3.385 10 5 CGBEMN CC(C)c1n[nH]c(SCc2ccc([N+](=O)[O-])cc2)n1 ZINC000006782175 170242810 /nfs/dbraw/zinc/24/28/10/170242810.db2.gz MAZCVAHZPFDBGI-UHFFFAOYSA-N 0 1 278.337 3.129 10 5 CGBEMN CC(C)c1nc(SCc2ccc([N+](=O)[O-])cc2)n[nH]1 ZINC000006782175 170242811 /nfs/dbraw/zinc/24/28/11/170242811.db2.gz MAZCVAHZPFDBGI-UHFFFAOYSA-N 0 1 278.337 3.129 10 5 CGBEMN O=[N+]([O-])c1ccc(F)cc1CNCc1ccccc1 ZINC000035307974 172121203 /nfs/dbraw/zinc/12/12/03/172121203.db2.gz YCTYBBXOOKVXNQ-UHFFFAOYSA-N 0 1 260.268 3.024 10 5 CGBEMN O=[N+]([O-])c1ccc(Cc2n[nH]c(-c3cccs3)n2)cc1 ZINC000072236664 176345514 /nfs/dbraw/zinc/34/55/14/176345514.db2.gz DAFRMFVUUGJGRK-UHFFFAOYSA-N 0 1 286.316 3.032 10 5 CGBEMN C[C@H](c1cccc([N+](=O)[O-])c1)N1CCS[C@@H](C)C1 ZINC000246077687 376962293 /nfs/dbraw/zinc/96/22/93/376962293.db2.gz CYMQGKSDNCSLPS-WDEREUQCSA-N 0 1 266.366 3.093 10 5 CGBEMN O=[N+]([O-])c1c(Cl)ncnc1Nc1cc(F)ccc1F ZINC000040571523 174338638 /nfs/dbraw/zinc/33/86/38/174338638.db2.gz SODFFSADDONAEL-UHFFFAOYSA-N 0 1 286.625 3.060 10 5 CGBEMN CC[C@H](C)O[P@@H](=O)Cc1cccc([N+](=O)[O-])c1 ZINC000584604331 346690500 /nfs/dbraw/zinc/69/05/00/346690500.db2.gz ZQTOXGABIZFRBH-VIFPVBQESA-N 0 1 257.226 3.385 10 5 CGBEMN O=[N+]([O-])c1ccc(-c2ccc(O)c(Cl)c2)cn1 ZINC000536952284 330382499 /nfs/dbraw/zinc/38/24/99/330382499.db2.gz CIOBGLCUJLVQSI-UHFFFAOYSA-N 0 1 250.641 3.016 10 5 CGBEMN CN(C)[C@@H](CNc1cc(F)ccc1[N+](=O)[O-])c1ccco1 ZINC000302849392 373984858 /nfs/dbraw/zinc/98/48/58/373984858.db2.gz ICJKRDUJFWPBRO-ZDUSSCGKSA-N 0 1 293.298 3.042 10 5 CGBEMN CCC(=O)c1c(O)ccc2c(=O)c3ccccc3oc21 ZINC000584590697 346685731 /nfs/dbraw/zinc/68/57/31/346685731.db2.gz YLCZUZFWVGRBNU-UHFFFAOYSA-N 0 1 268.268 3.245 10 5 CGBEMN CN1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000044563047 175206682 /nfs/dbraw/zinc/20/66/82/175206682.db2.gz IMJVGLZIUWZYCD-LLVKDONJSA-N 0 1 283.759 3.144 10 5 CGBEMN Cc1cc(N[C@H]2C[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000228484599 376438581 /nfs/dbraw/zinc/43/85/81/376438581.db2.gz UXVGZEVUGTVVJA-SDBXPKJASA-N 0 1 257.293 3.272 10 5 CGBEMN CC[C@H](N[C@@H](C)c1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000180720425 392711661 /nfs/dbraw/zinc/71/16/61/392711661.db2.gz ACFOKKVAIVTZHP-BONVTDFDSA-N 0 1 288.351 3.428 10 5 CGBEMN Cc1cc(N[C@H]2CCO[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000228486619 280632563 /nfs/dbraw/zinc/63/25/63/280632563.db2.gz BVXWKQLFIUGQDL-MFKMUULPSA-N 0 1 287.319 3.041 10 5 CGBEMN CCN1CCC[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352094 369437660 /nfs/dbraw/zinc/43/76/60/369437660.db2.gz GVGQICGNYBIMRK-SNVBAGLBSA-N 0 1 283.759 3.144 10 5 CGBEMN CCN1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040503220 174299803 /nfs/dbraw/zinc/29/98/03/174299803.db2.gz BWBCDHKWBOTITL-SNVBAGLBSA-N 0 1 283.759 3.144 10 5 CGBEMN O=[N+]([O-])c1cccc(-c2ncc(C(F)(F)F)[nH]2)c1 ZINC000221263407 346297420 /nfs/dbraw/zinc/29/74/20/346297420.db2.gz VDUFUNUTHZXOAO-UHFFFAOYSA-N 0 1 257.171 3.004 10 5 CGBEMN COc1ccc2c(c1)oc1c2c(=O)oc2cc(O)ccc12 ZINC000002556384 368463679 /nfs/dbraw/zinc/46/36/79/368463679.db2.gz HHEZPZWGHDOWCQ-UHFFFAOYSA-N 0 1 282.251 3.407 10 5 endogenous,in-man CGBEMN Cc1ccccc1-c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000035551772 172258879 /nfs/dbraw/zinc/25/88/79/172258879.db2.gz QSVPBHOAKQZIDX-UHFFFAOYSA-N 0 1 280.287 3.355 10 5 CGBEMN Cc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1 ZINC000035551772 172258880 /nfs/dbraw/zinc/25/88/80/172258880.db2.gz QSVPBHOAKQZIDX-UHFFFAOYSA-N 0 1 280.287 3.355 10 5 CGBEMN O=C1NC(=O)/C(=C/c2c3ccccc3cc3ccccc32)N1 ZINC000038198032 174136597 /nfs/dbraw/zinc/13/65/97/174136597.db2.gz SBPYHDWXMCLEJG-YBEGLDIGSA-N 0 1 288.306 3.173 10 5 CGBEMN CCN[C@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1 ZINC000035509911 172241367 /nfs/dbraw/zinc/24/13/67/172241367.db2.gz WGZHHSYQKDUTFT-GFCCVEGCSA-N 0 1 266.322 3.257 10 5 CGBEMN O=[N+]([O-])c1ccc(-c2ccc(O)c(Cl)c2)nc1 ZINC000536952107 330382503 /nfs/dbraw/zinc/38/25/03/330382503.db2.gz AWQDWUPYOHRIKV-UHFFFAOYSA-N 0 1 250.641 3.016 10 5 CGBEMN COc1cc2c(cc1O)oc1c2c(=O)oc2cc(O)ccc12 ZINC000014778687 368685123 /nfs/dbraw/zinc/68/51/23/368685123.db2.gz MQORJFLPGOCLDS-UHFFFAOYSA-N 0 1 298.250 3.112 10 5 endogenous,in-man CGBEMN O=[N+]([O-])c1cc(O)cc(C(F)(F)F)c1C(F)(F)F ZINC000575379676 377891502 /nfs/dbraw/zinc/89/15/02/377891502.db2.gz JPDIDKQEDUQISP-UHFFFAOYSA-N 0 1 275.104 3.338 10 5 CGBEMN CN[C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)c(C)c1 ZINC000035456893 172206807 /nfs/dbraw/zinc/20/68/07/172206807.db2.gz AKFLXLSQYJIAFR-CQSZACIVSA-N 0 1 260.293 3.113 10 5 CGBEMN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCS[C@@H](C)C1 ZINC000245538877 281021434 /nfs/dbraw/zinc/02/14/34/281021434.db2.gz ZGOOQVKMTWNFRF-RYUDHWBXSA-N 0 1 280.393 3.402 10 5 CGBEMN CC[C@@H](NCc1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000049529443 522877840 /nfs/dbraw/zinc/87/78/40/522877840.db2.gz KIVBCERSOCQKME-SNVBAGLBSA-N 0 1 266.322 3.490 10 5 CGBEMN CN1CCN(c2nc3ccccc3c3ccccc32)CC1 ZINC000013778637 368667072 /nfs/dbraw/zinc/66/70/72/368667072.db2.gz ZVJIBTNUNUXAIO-UHFFFAOYSA-N 0 1 277.371 3.140 10 5 in-vivo CGBEMN CCc1ccc([C@@H](NC)c2ccc([N+](=O)[O-])o2)cc1 ZINC000035494834 172227662 /nfs/dbraw/zinc/22/76/62/172227662.db2.gz JHZVKLODFYWQJP-CQSZACIVSA-N 0 1 260.293 3.059 10 5 CGBEMN CC[C@H](NCc1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000049529442 522651431 /nfs/dbraw/zinc/65/14/31/522651431.db2.gz KIVBCERSOCQKME-JTQLQIEISA-N 0 1 266.322 3.490 10 5 CGBEMN CCc1ccc([C@H](NC)c2ccc([N+](=O)[O-])o2)cc1 ZINC000035494832 172227808 /nfs/dbraw/zinc/22/78/08/172227808.db2.gz JHZVKLODFYWQJP-AWEZNQCLSA-N 0 1 260.293 3.059 10 5 CGBEMN Cc1n[nH]c(-c2cccc([N+](=O)[O-])c2)c1C(F)(F)F ZINC000536960164 330384119 /nfs/dbraw/zinc/38/41/19/330384119.db2.gz PIXGSJLZDFKLEU-UHFFFAOYSA-N 0 1 271.198 3.312 10 5 CGBEMN C[C@H]1C[C@@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335578 370471953 /nfs/dbraw/zinc/47/19/53/370471953.db2.gz YUCNIVJOQFQSBF-ZANVPECISA-N 0 1 289.360 3.216 10 5 CGBEMN CCCN[C@@H](c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000035581070 172277554 /nfs/dbraw/zinc/27/75/54/172277554.db2.gz UCUAPDHVXHOSPZ-LBPRGKRZSA-N 0 1 266.322 3.338 10 5 CGBEMN C[C@H]1C[C@H]1NCc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113335581 370471760 /nfs/dbraw/zinc/47/17/60/370471760.db2.gz YUCNIVJOQFQSBF-TVQRCGJNSA-N 0 1 289.360 3.216 10 5 CGBEMN CCn1cccc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000091025572 165253993 /nfs/dbraw/zinc/25/39/93/165253993.db2.gz URTOKOBQVNPZDE-LBPRGKRZSA-N 0 1 273.336 3.267 10 5 CGBEMN Cc1ccc([C@@H](C)NCc2ccc([N+](=O)[O-])o2)s1 ZINC000049160500 525734494 /nfs/dbraw/zinc/73/44/94/525734494.db2.gz PZDFINLCKLAFMF-SECBINFHSA-N 0 1 266.322 3.409 10 5 CGBEMN CCN1CCC[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352092 369437070 /nfs/dbraw/zinc/43/70/70/369437070.db2.gz GVGQICGNYBIMRK-JTQLQIEISA-N 0 1 283.759 3.144 10 5 CGBEMN O=[N+]([O-])c1cc(O)cc(Br)c1C(F)F ZINC000575692218 377967320 /nfs/dbraw/zinc/96/73/20/377967320.db2.gz VUXPXIBAUGHAJE-UHFFFAOYSA-N 0 1 268.013 3.001 10 5 CGBEMN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCS[C@@H](C)C1 ZINC000245538874 292295354 /nfs/dbraw/zinc/29/53/54/292295354.db2.gz ZGOOQVKMTWNFRF-NWDGAFQWSA-N 0 1 280.393 3.402 10 5 CGBEMN O=[N+]([O-])c1cc(O)cc(C(F)F)c1Br ZINC000575691251 377967258 /nfs/dbraw/zinc/96/72/58/377967258.db2.gz LLBQUQRFNUBISQ-UHFFFAOYSA-N 0 1 268.013 3.001 10 5 CGBEMN O=[N+]([O-])c1cccc(-c2nc3c(ccnc3Cl)[nH]2)c1 ZINC000006092556 170175792 /nfs/dbraw/zinc/17/57/92/170175792.db2.gz RXRRETAUSQGCQM-UHFFFAOYSA-N 0 1 274.667 3.187 10 5 CGBEMN CCN[C@@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)s1 ZINC000035509909 172241298 /nfs/dbraw/zinc/24/12/98/172241298.db2.gz WGZHHSYQKDUTFT-LBPRGKRZSA-N 0 1 266.322 3.257 10 5 CGBEMN C[C@H]1CN(C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000255088289 377731125 /nfs/dbraw/zinc/73/11/25/377731125.db2.gz MCWTVWWXFCRMPQ-RNZFLTOJSA-N 0 1 278.377 3.045 10 5 CGBEMN Cc1cc(N[C@H]2C[C@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000228484591 393018713 /nfs/dbraw/zinc/01/87/13/393018713.db2.gz UXVGZEVUGTVVJA-OQPBUACISA-N 0 1 257.293 3.272 10 5 CGBEMN O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)ccc1O ZINC000004014134 368525617 /nfs/dbraw/zinc/52/56/17/368525617.db2.gz HTXGLMUZXAFRII-UHFFFAOYSA-N 0 1 292.678 3.206 10 5 CGBEMN CN[C@H](c1ccc([N+](=O)[O-])o1)c1ccc(C)c(C)c1 ZINC000035456890 172206541 /nfs/dbraw/zinc/20/65/41/172206541.db2.gz AKFLXLSQYJIAFR-AWEZNQCLSA-N 0 1 260.293 3.113 10 5 CGBEMN CCc1cc(O)cc(SC(F)(F)F)c1[N+](=O)[O-] ZINC000575706017 377978504 /nfs/dbraw/zinc/97/85/04/377978504.db2.gz LJZLFKZSTMAOQF-UHFFFAOYSA-N 0 1 267.228 3.475 10 5 CGBEMN O=[N+]([O-])c1ccc(Cc2nnc(-c3cccc(F)c3)[nH]2)cc1 ZINC000072236673 176345791 /nfs/dbraw/zinc/34/57/91/176345791.db2.gz ATGQRSRBEGZDCY-UHFFFAOYSA-N 0 1 298.277 3.110 10 5 CGBEMN CCc1ccc([C@H](NC)c2ccc([N+](=O)[O-])o2)s1 ZINC000035460493 172209208 /nfs/dbraw/zinc/20/92/08/172209208.db2.gz JFZVWNJRQQISKJ-GFCCVEGCSA-N 0 1 266.322 3.121 10 5 CGBEMN CC[C@@H](N[C@@H](C)c1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000180720445 392711253 /nfs/dbraw/zinc/71/12/53/392711253.db2.gz ACFOKKVAIVTZHP-ZUZCIYMTSA-N 0 1 288.351 3.428 10 5 CGBEMN CCn1cccc1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000091025573 165254156 /nfs/dbraw/zinc/25/41/56/165254156.db2.gz URTOKOBQVNPZDE-GFCCVEGCSA-N 0 1 273.336 3.267 10 5 CGBEMN CCCNc1ccc([N+](=O)[O-])cc1CN1CCCC1 ZINC000050792187 520170390 /nfs/dbraw/zinc/17/03/90/520170390.db2.gz JYRGBYFXAFKYPB-UHFFFAOYSA-N 0 1 263.341 3.013 10 5 CGBEMN O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc2ccccc2o1 ZINC000021003304 171284499 /nfs/dbraw/zinc/28/44/99/171284499.db2.gz BGSAYUVTISCFKQ-UHFFFAOYSA-N 0 1 298.254 3.299 10 5 CGBEMN O=[N+]([O-])c1cc2cn[nH]c2cc1OCc1ccccc1 ZINC000309824515 346470228 /nfs/dbraw/zinc/47/02/28/346470228.db2.gz DLKGBRHPNDFXPP-UHFFFAOYSA-N 0 1 269.260 3.050 10 5 CGBEMN C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCS[C@@H](C)C1 ZINC000171696748 534093943 /nfs/dbraw/zinc/09/39/43/534093943.db2.gz CYMQGKSDNCSLPS-QWRGUYRKSA-N 0 1 266.366 3.093 10 5 CGBEMN C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000131324547 371100079 /nfs/dbraw/zinc/10/00/79/371100079.db2.gz MCWTVWWXFCRMPQ-FUEXJSSKSA-N 0 1 278.377 3.045 10 5 CGBEMN CC[C@@H](N[C@H](C)c1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000180720486 392711224 /nfs/dbraw/zinc/71/12/24/392711224.db2.gz ACFOKKVAIVTZHP-MEBBXXQBSA-N 0 1 288.351 3.428 10 5 CGBEMN CN1CCN(c2nccc3c4ccccc4ccc32)CC1 ZINC000013797060 368667717 /nfs/dbraw/zinc/66/77/17/368667717.db2.gz XFIBZHYFLKWOJP-UHFFFAOYSA-N 0 1 277.371 3.140 10 5 CGBEMN Cc1ccc([C@H](C)NCc2ccc([N+](=O)[O-])o2)s1 ZINC000049160505 525928769 /nfs/dbraw/zinc/92/87/69/525928769.db2.gz PZDFINLCKLAFMF-VIFPVBQESA-N 0 1 266.322 3.409 10 5 CGBEMN Cc1cc(N[C@@H]2CCO[C@@H]2C)c2cc([N+](=O)[O-])ccc2n1 ZINC000228486632 393019156 /nfs/dbraw/zinc/01/91/56/393019156.db2.gz BVXWKQLFIUGQDL-ZWNOBZJWSA-N 0 1 287.319 3.041 10 5 CGBEMN O=c1nc(-c2ccccc2)c([N+](=O)[O-])c(-c2ccccc2)[nH]1 ZINC000006665780 170224022 /nfs/dbraw/zinc/22/40/22/170224022.db2.gz NAIRCVDGMCXWCK-UHFFFAOYSA-N 0 1 293.282 3.424 10 5 CGBEMN CCc1ccc([C@@H](NC)c2ccc([N+](=O)[O-])o2)s1 ZINC000035460495 172209140 /nfs/dbraw/zinc/20/91/40/172209140.db2.gz JFZVWNJRQQISKJ-LBPRGKRZSA-N 0 1 266.322 3.121 10 5 CGBEMN CCCN[C@H](c1ccc([N+](=O)[O-])o1)c1cccs1 ZINC000035581071 172277496 /nfs/dbraw/zinc/27/74/96/172277496.db2.gz UCUAPDHVXHOSPZ-GFCCVEGCSA-N 0 1 266.322 3.338 10 5 CGBEMN O=[N+]([O-])c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1 ZINC000221261955 376214890 /nfs/dbraw/zinc/21/48/90/376214890.db2.gz FXJGDAXNQKZKSB-UHFFFAOYSA-N 0 1 257.171 3.004 10 5 CGBEMN O=[N+]([O-])c1cc(O)cc(Br)c1C(F)(F)F ZINC000575692058 377967112 /nfs/dbraw/zinc/96/71/12/377967112.db2.gz SYWHFTWPOQOEIW-UHFFFAOYSA-N 0 1 286.003 3.082 10 5 CGBEMN COc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1[N+](=O)[O-] 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