smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH2+]Cc1cc2c(cc1F)N(CC)C(C)(C)C=C2C ZINC000223800447 1125445777 /nfs/dbraw/zinc/44/57/77/1125445777.db2.gz NUZSVGUPNSYVAA-UHFFFAOYSA-N 1 0 276.399 3.957 40 10 CHCBRO COc1cccc(N[N+](=O)c2cccc(OC)c2)c1 ZINC000100059223 185703591 /nfs/dbraw/zinc/70/35/91/185703591.db2.gz DSTKJVWYCRSUJG-FOCLMDBBSA-N 1 0 258.277 3.630 40 10 CHCBRO O=[N+](C=Cc1ccccc1)N(O)C=Cc1ccccc1 ZINC000008637839 260032416 /nfs/dbraw/zinc/03/24/16/260032416.db2.gz IMCACXURBYAWBB-NDZZIXEMSA-N 1 0 266.300 3.801 40 10 CHCBRO CCN1c2cc(C)c(C[NH2+]C)cc2C(C)=CC1(C)C ZINC000223797549 535784985 /nfs/dbraw/zinc/78/49/85/535784985.db2.gz RDELNFUOFBCTQV-UHFFFAOYSA-N 1 0 258.409 3.736 40 10 CHCBRO CCCn1cc2c3c1cccc3[C@@H]1C=C(C)C[N@H+](C)[C@@H]1C2 ZINC000001575221 567838482 /nfs/dbraw/zinc/83/84/82/567838482.db2.gz BHVLXRUVIPEIKP-FUHWJXTLSA-N 1 0 280.415 3.951 40 10 CHCBRO CCC[NH2+]Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000223666034 567950409 /nfs/dbraw/zinc/95/04/09/567950409.db2.gz VLHCEJPDDFKADI-UHFFFAOYSA-N 1 0 256.393 3.902 40 10 CHCBRO CCCN1c2ccc(C[NH2+]C)cc2[C@@H](C)CC1(C)C ZINC000223782210 567950537 /nfs/dbraw/zinc/95/05/37/567950537.db2.gz OIDBRPIGGCXZJY-ZDUSSCGKSA-N 1 0 260.425 3.908 40 10 CHCBRO Cc1cc2c(cc1C[NH3+])C(C)=CC(C)(C)N2C(C)C ZINC000223795797 567951045 /nfs/dbraw/zinc/95/10/45/567951045.db2.gz VHOKJGGQUDQNBJ-UHFFFAOYSA-N 1 0 258.409 3.864 40 10 CHCBRO C[NH2+]Cc1cc2c(cc1F)N(C(C)C)C(C)(C)C=C2C ZINC000223798529 1125446045 /nfs/dbraw/zinc/44/60/45/1125446045.db2.gz XBSWOJFWTBZZGG-UHFFFAOYSA-N 1 0 276.399 3.955 40 10 CHCBRO Cc1cc(N2CCCC2)ccc1/C=C/C1=CC[N@H+](C)CC1 ZINC000004933140 1129389902 /nfs/dbraw/zinc/38/99/02/1129389902.db2.gz BMCOSZUDENJGHD-AATRIKPKSA-N 1 0 282.431 3.870 40 10 CHCBRO Cc1cccc(/C=C/c2c[nH]c3ccc(F)cc23)[n+]1C ZINC000009169375 170365401 /nfs/dbraw/zinc/36/54/01/170365401.db2.gz IXLVCJIWWNDWJR-UHFFFAOYSA-O 1 0 267.327 3.610 40 10 CHCBRO CCCN1c2cc(OC)c(C[NH2+]C)cc2[C@H](C)CC1(C)C ZINC000260725231 328055243 /nfs/dbraw/zinc/05/52/43/328055243.db2.gz TWDAAQHXFASWKA-CYBMUJFWSA-N 1 0 290.451 3.917 40 10 CHCBRO CCC[NH2+]Cc1cc2c(cc1OC)N(C)C(C)(C)C=C2C ZINC000223821121 570313366 /nfs/dbraw/zinc/31/33/66/570313366.db2.gz IZFPXSOEZBDPRR-UHFFFAOYSA-N 1 0 288.435 3.827 40 10 CHCBRO CC[n+]1c2ccc(C)cc2nc2c3ccccc3c(N)cc21 ZINC000004416137 567857406 /nfs/dbraw/zinc/85/74/06/567857406.db2.gz MBLGMXIVCTWLSW-UHFFFAOYSA-O 1 0 288.374 3.739 40 10 CHCBRO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccccc2O)no1 ZINC000019119440 567877380 /nfs/dbraw/zinc/87/73/80/567877380.db2.gz KLEQCALIFNUJAN-INIZCTEOSA-N 1 0 286.375 3.806 40 10 CHCBRO CCC[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccc(O)c(O)c1 ZINC000031720166 171644763 /nfs/dbraw/zinc/64/47/63/171644763.db2.gz BVFYRHOPIDAJOR-KRWDZBQOSA-N 1 0 297.398 3.650 40 10 CHCBRO Oc1ccc(Br)cc1C[NH2+]C1CCCCC1 ZINC000001594248 567839025 /nfs/dbraw/zinc/83/90/25/567839025.db2.gz OMAUNCJYYFVHSX-UHFFFAOYSA-N 1 0 284.197 3.577 40 10 CHCBRO COc1ccc([C@@H]([NH3+])c2c(O)ccc3ccccc32)cc1 ZINC000002045158 567844607 /nfs/dbraw/zinc/84/46/07/567844607.db2.gz KYFAUUIORMILDM-GOSISDBHSA-N 1 0 279.339 3.602 40 10 CHCBRO Cc1cc2c(cc1C[NH3+])[C@@H](C)CC(C)(C)N2C(C)C ZINC000223780200 567950721 /nfs/dbraw/zinc/95/07/21/567950721.db2.gz JMLYREOFJVLMKZ-ZDUSSCGKSA-N 1 0 260.425 3.954 40 10 CHCBRO N#[N+]c1nnc2[n-][nH+]c(-c3ccccc3)c(-c3ccccc3)c1-2 ZINC000006618451 570380871 /nfs/dbraw/zinc/38/08/71/570380871.db2.gz FFHUPDSETAOYIK-UHFFFAOYSA-N 1 0 298.309 3.884 40 10 CHCBRO C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(C[NH3+])cc21 ZINC000223780437 136584053 /nfs/dbraw/zinc/58/40/53/136584053.db2.gz XOSYOPWNVAKQQH-SECBINFHSA-N 1 0 252.789 3.521 40 10 CHCBRO Cc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000007365333 170279415 /nfs/dbraw/zinc/27/94/15/170279415.db2.gz BLKWTUVAFBRQOB-UHFFFAOYSA-N 1 0 280.415 3.885 40 10 CHCBRO CCN1c2cc(F)c(C[NH2+]C)cc2[C@H](C)CC1(C)C ZINC000260722312 328055056 /nfs/dbraw/zinc/05/50/56/328055056.db2.gz NNYZIOWLYBVFRX-LLVKDONJSA-N 1 0 264.388 3.657 40 10 CHCBRO O=[N+](C=Cc1ccccc1)N(O)C=Cc1ccccc1 ZINC000016923474 567874243 /nfs/dbraw/zinc/87/42/43/567874243.db2.gz IMCACXURBYAWBB-HCSMKPQFSA-N 1 0 266.300 3.801 40 10 CHCBRO Cc1cc(C[NH2+]CC(C)C)c(C)n1-c1ccc(F)cc1 ZINC000223669904 567950251 /nfs/dbraw/zinc/95/02/51/567950251.db2.gz OWKIVMRSBVUZMU-UHFFFAOYSA-N 1 0 274.383 3.979 40 10 CHCBRO COCCC[NH2+]Cc1cc(C)n(-c2ccccc2C)c1C ZINC000223665455 567950289 /nfs/dbraw/zinc/95/02/89/567950289.db2.gz CFZRMTXXFYULSG-UHFFFAOYSA-N 1 0 286.419 3.529 40 10 CHCBRO CC[NH2+]Cc1cc(C)n(-c2ccc(C)c(C)c2)c1C ZINC000223667879 567950442 /nfs/dbraw/zinc/95/04/42/567950442.db2.gz JNDUOWFCYVDVPE-UHFFFAOYSA-N 1 0 256.393 3.820 40 10 CHCBRO CCCN1c2cc(OC)c(C[NH3+])cc2C(C)=CC1(C)C ZINC000223796816 567950918 /nfs/dbraw/zinc/95/09/18/567950918.db2.gz YFVDOMJFLDTZQQ-UHFFFAOYSA-N 1 0 274.408 3.566 40 10 CHCBRO COCCC[NH2+]Cc1cc(C)n(-c2ccc(C)cc2)c1C ZINC000113704328 186590704 /nfs/dbraw/zinc/59/07/04/186590704.db2.gz MIJBONWUNHIFQD-UHFFFAOYSA-N 1 0 286.419 3.529 40 10 CHCBRO Cc1cc(C(C)(C)C)c(OC(=O)C[N+]#N)c(C(C)(C)C)c1 ZINC000006661775 170223616 /nfs/dbraw/zinc/22/36/16/170223616.db2.gz JWOHWTRHFIOQSH-UHFFFAOYSA-N 1 0 288.391 3.796 40 10 CHCBRO C[NH2+]Cc1cc2c(cc1Cl)N(C)C(C)(C)C[C@H]2C ZINC000260719626 328055096 /nfs/dbraw/zinc/05/50/96/328055096.db2.gz KPOIMWXFWPSYSS-SNVBAGLBSA-N 1 0 266.816 3.781 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1F)N(C)C(C)(C)C[C@@H]2C ZINC000223785571 567950900 /nfs/dbraw/zinc/95/09/00/567950900.db2.gz QEVRYANANHDSPM-NSHDSACASA-N 1 0 264.388 3.657 40 10 CHCBRO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccccc2O)on1 ZINC000019120318 567877553 /nfs/dbraw/zinc/87/75/53/567877553.db2.gz QDKBIECLUJNWON-OAHLLOKOSA-N 1 0 286.375 3.806 40 10 CHCBRO CC[NH2+]Cc1cc(C)n(-c2ccc(Cl)cc2)c1C ZINC000223671387 567950311 /nfs/dbraw/zinc/95/03/11/567950311.db2.gz OEOWOJHMJXWWPF-UHFFFAOYSA-N 1 0 262.784 3.857 40 10 CHCBRO COc1cc2c(cc1C[NH2+]C(C)C)[C@H](C)CC(C)(C)N2C ZINC000223790460 567950954 /nfs/dbraw/zinc/95/09/54/567950954.db2.gz SWUHMQVUGGQHCX-CYBMUJFWSA-N 1 0 290.451 3.915 40 10 CHCBRO COc1cccc(N[N+](=O)c2cccc(OC)c2)c1 ZINC000039194535 174165746 /nfs/dbraw/zinc/16/57/46/174165746.db2.gz DSTKJVWYCRSUJG-NXVVXOECSA-N 1 0 258.277 3.630 40 10 CHCBRO COc1ccc2c(Nc3ccc(N)cc3)cc[nH+]c2c1 ZINC000064875349 567110118 /nfs/dbraw/zinc/11/01/18/567110118.db2.gz VQXLXGMFPMMDTK-UHFFFAOYSA-N 1 0 265.316 3.569 40 10 CHCBRO COc1ccc([C@H]([NH3+])c2c(O)ccc3ccccc32)cc1 ZINC000001669807 567840690 /nfs/dbraw/zinc/84/06/90/567840690.db2.gz KYFAUUIORMILDM-SFHVURJKSA-N 1 0 279.339 3.602 40 10 CHCBRO CCC[N@@H+]1CCc2ccccc2[C@H]1Cc1ccc(O)c(O)c1 ZINC000031720168 567885080 /nfs/dbraw/zinc/88/50/80/567885080.db2.gz BVFYRHOPIDAJOR-QGZVFWFLSA-N 1 0 297.398 3.650 40 10 CHCBRO CCC[NH2+]Cc1cc(C)n(-c2cccc(OC)c2)c1C ZINC000223674238 567950431 /nfs/dbraw/zinc/95/04/31/567950431.db2.gz IQJSDMHTBREXJZ-UHFFFAOYSA-N 1 0 272.392 3.602 40 10 CHCBRO COc1cc2[nH+]ccc(Nc3ccc(N)cc3)c2cc1OC ZINC000038352827 567951401 /nfs/dbraw/zinc/95/14/01/567951401.db2.gz JIOURXJIGAITPI-UHFFFAOYSA-N 1 0 295.342 3.578 40 10 CHCBRO CC1=CC(C)(C)N(C)c2cc(F)c(C[NH2+]C(C)C)cc21 ZINC000223822525 570313419 /nfs/dbraw/zinc/31/34/19/570313419.db2.gz PWZLWHIRLJZIGJ-UHFFFAOYSA-N 1 0 276.399 3.955 40 10 CHCBRO C[NH2+]Cc1cc2c(cc1Cl)N(C)C(C)(C)C=C2C ZINC000223797863 1125445569 /nfs/dbraw/zinc/44/55/69/1125445569.db2.gz ORSIZCBUWQZHGJ-UHFFFAOYSA-N 1 0 264.800 3.691 40 10 CHCBRO O=[N+](Nc1nc(-c2ccccc2)no1)c1ccccc1 ZINC000005443478 170099716 /nfs/dbraw/zinc/09/97/16/170099716.db2.gz MMZXQHLSDBIONZ-FBMGVBCBSA-N 1 0 266.260 3.662 40 10 CHCBRO CCN1c2cc(C)c(C[NH2+]C)cc2[C@H](C)CC1(C)C ZINC000260716726 328054714 /nfs/dbraw/zinc/05/47/14/328054714.db2.gz FCQSHCQEKHLXNZ-CYBMUJFWSA-N 1 0 260.425 3.827 40 10 CHCBRO C[NH+](C)CC1=CC(=NNc2ccccc2)C=CC1=O ZINC000006005889 170167383 /nfs/dbraw/zinc/16/73/83/170167383.db2.gz JYRZXXWNMUDGMD-WUKNDPDISA-N 1 0 255.321 3.869 40 10 CHCBRO Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCC[N@H+]1C ZINC000072216836 567921340 /nfs/dbraw/zinc/92/13/40/567921340.db2.gz BKONVGXAINHJHW-INIZCTEOSA-N 1 0 269.392 3.646 40 10 CHCBRO CCCC[NH2+]Cc1cc(C)n(-c2cccc(OC)c2)c1C ZINC000223674308 567950390 /nfs/dbraw/zinc/95/03/90/567950390.db2.gz JBAPECSDWUPERP-UHFFFAOYSA-N 1 0 286.419 3.992 40 10 CHCBRO C[NH2+]Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(C)C ZINC000223782343 567950662 /nfs/dbraw/zinc/95/06/62/567950662.db2.gz NOXNQHFXRDBTBP-CYBMUJFWSA-N 1 0 260.425 3.907 40 10 CHCBRO COc1cc2c(cc1C[NH3+])[C@@H](C)CC(C)(C)N2C(C)C ZINC000223781740 567950801 /nfs/dbraw/zinc/95/08/01/567950801.db2.gz GCRYYTXQIHLHHN-LBPRGKRZSA-N 1 0 276.424 3.655 40 10 CHCBRO CCCN1c2ccc(C[NH2+]C)cc2C(C)=CC1(C)C ZINC000223797232 136584370 /nfs/dbraw/zinc/58/43/70/136584370.db2.gz XHUGFSOBWVDHSH-UHFFFAOYSA-N 1 0 258.409 3.818 40 10 CHCBRO COc1ccc(C[NH2+]Cc2ccc(N3CCCC3)cc2)cc1 ZINC000007275475 261378220 /nfs/dbraw/zinc/37/82/20/261378220.db2.gz XJONRRNWAFKIDG-UHFFFAOYSA-N 1 0 296.414 3.585 40 10 CHCBRO COc1ccc(N[N+](=O)c2ccc(OC)cc2)cc1 ZINC000104174762 567916156 /nfs/dbraw/zinc/91/61/56/567916156.db2.gz KAEZRSFWWCTVNP-UHFFFAOYSA-N 1 0 258.277 3.630 40 10 CHCBRO CCN1c2cc(F)c(C[NH2+]C)cc2[C@@H](C)CC1(C)C ZINC000223783431 567950766 /nfs/dbraw/zinc/95/07/66/567950766.db2.gz NNYZIOWLYBVFRX-NSHDSACASA-N 1 0 264.388 3.657 40 10 CHCBRO Cc1ccc(-c2ccncc2)n1-c1ccc(N(C)C)cc1 ZINC000228980275 1128180547 /nfs/dbraw/zinc/18/05/47/1128180547.db2.gz IRNMFILIFIEEMY-UHFFFAOYSA-N 1 0 277.371 3.914 40 10 CHCBRO CCCC[C@@H](CC)[C@@H]1[NH2+]CCc2cc(O)c(O)cc21 ZINC000007262029 170273750 /nfs/dbraw/zinc/27/37/50/170273750.db2.gz WZELGCZLVTZCTN-BZNIZROVSA-N 1 0 263.381 3.501 40 10 CHCBRO Cc1c2cccc(Br)c2c[n+]2ccccc12 ZINC000001730436 567842897 /nfs/dbraw/zinc/84/28/97/567842897.db2.gz QEFHLQWKHFBPDD-UHFFFAOYSA-N 1 0 273.153 3.649 40 10 CHCBRO Cc1cc([C@H]2CCCCC[N@@H+]2Cc2ccccc2O)no1 ZINC000019119443 567877631 /nfs/dbraw/zinc/87/76/31/567877631.db2.gz KLEQCALIFNUJAN-MRXNPFEDSA-N 1 0 286.375 3.806 40 10 CHCBRO Cc1ccc([C@H]([NH3+])c2ccc3ccccc3c2O)cc1 ZINC000032098991 567885609 /nfs/dbraw/zinc/88/56/09/567885609.db2.gz PBWRKTMVIOSTKI-KRWDZBQOSA-N 1 0 263.340 3.902 40 10 CHCBRO Oc1ccc2ccccc2c1C[NH2+]C1CCCCC1 ZINC000001681085 567937447 /nfs/dbraw/zinc/93/74/47/567937447.db2.gz PSNXTYKFJNITBW-UHFFFAOYSA-N 1 0 255.361 3.968 40 10 CHCBRO CC[NH2+]Cc1cc(C)n(-c2cccc(C)c2C)c1C ZINC000223666179 567950265 /nfs/dbraw/zinc/95/02/65/567950265.db2.gz UBKMQPYMQSQJIK-UHFFFAOYSA-N 1 0 256.393 3.820 40 10 CHCBRO CCCN1c2cc(OC)c(C[NH3+])cc2[C@@H](C)CC1(C)C ZINC000223781651 567950659 /nfs/dbraw/zinc/95/06/59/567950659.db2.gz LFUTWNNCTLFKBB-LBPRGKRZSA-N 1 0 276.424 3.656 40 10 CHCBRO COc1ccccc1N[N+](=O)c1ccccc1OC ZINC000104227098 185936838 /nfs/dbraw/zinc/93/68/38/185936838.db2.gz KVJYJSHGAOIUAH-NXVVXOECSA-N 1 0 258.277 3.630 40 10 CHCBRO CC[N@@H+]1CCC[C@H]1c1cccnc1-n1c(C)ccc1C ZINC000072216814 567921358 /nfs/dbraw/zinc/92/13/58/567921358.db2.gz WUNGATDUKSCQFP-INIZCTEOSA-N 1 0 269.392 3.646 40 10 CHCBRO Cc1ccc(C)n1-c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072216776 567921367 /nfs/dbraw/zinc/92/13/67/567921367.db2.gz LZGVVKLIFFSAAU-INIZCTEOSA-N 1 0 269.392 3.646 40 10 CHCBRO CCC[NH2+]Cc1cc(C)n(-c2ccc(OC)cc2)c1C ZINC000223674641 567950245 /nfs/dbraw/zinc/95/02/45/567950245.db2.gz DACGHENPWJAUTD-UHFFFAOYSA-N 1 0 272.392 3.602 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1OC)N(C)C(C)(C)C[C@@H]2C ZINC000223785981 567950935 /nfs/dbraw/zinc/95/09/35/567950935.db2.gz NUORDUNHTXUDPR-LBPRGKRZSA-N 1 0 276.424 3.527 40 10 CHCBRO CC[NH2+]Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2CC ZINC000223784323 567951011 /nfs/dbraw/zinc/95/10/11/567951011.db2.gz MUJVQQMTTLCGAL-ZDUSSCGKSA-N 1 0 260.425 3.908 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1OC)N(C)C(C)(C)C[C@H]2C ZINC000260722342 328055063 /nfs/dbraw/zinc/05/50/63/328055063.db2.gz NUORDUNHTXUDPR-GFCCVEGCSA-N 1 0 276.424 3.527 40 10 CHCBRO COc1ccc2[nH+]ccc(Nc3ccc(N)cc3)c2c1 ZINC000064875336 567110178 /nfs/dbraw/zinc/11/01/78/567110178.db2.gz PSGNKPWRMFCIQJ-UHFFFAOYSA-N 1 0 265.316 3.569 40 10 CHCBRO Cc1cc(C[NH2+]CC(C)C)c(C)n1-c1ccccc1 ZINC000036923343 567873614 /nfs/dbraw/zinc/87/36/14/567873614.db2.gz UFRFYQZXZDYZLR-UHFFFAOYSA-N 1 0 256.393 3.840 40 10 CHCBRO O=[N+](C=Cc1ccccc1)N(O)C=Cc1ccccc1 ZINC000016923479 567874111 /nfs/dbraw/zinc/87/41/11/567874111.db2.gz IMCACXURBYAWBB-HPJUKJMKSA-N 1 0 266.300 3.801 40 10 CHCBRO COCCC[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000223665965 567950228 /nfs/dbraw/zinc/95/02/28/567950228.db2.gz OAKXTKMHYOQXDU-UHFFFAOYSA-N 1 0 286.419 3.529 40 10 CHCBRO C[NH2+]Cc1cc(C)n(-c2cc(Cl)ccc2C)c1C ZINC000223673006 567950462 /nfs/dbraw/zinc/95/04/62/567950462.db2.gz BVIMQDIOYBKBHL-UHFFFAOYSA-N 1 0 262.784 3.775 40 10 CHCBRO C[NH2+]Cc1cc2c(cc1OC)N(C(C)C)C(C)(C)C=C2C ZINC000223798940 1125446497 /nfs/dbraw/zinc/44/64/97/1125446497.db2.gz JHGJYPXTOWQUMP-UHFFFAOYSA-N 1 0 288.435 3.825 40 10 CHCBRO CCN1c2cc(OC)c(C[NH2+]C)cc2[C@H](C)CC1(C)C ZINC000260726736 328055394 /nfs/dbraw/zinc/05/53/94/328055394.db2.gz ZQTKLMLCQBCRTG-GFCCVEGCSA-N 1 0 276.424 3.527 40 10 CHCBRO CCCC[NH2+]Cc1cc(C)n(-c2ccccc2OC)c1C ZINC000113704207 567926187 /nfs/dbraw/zinc/92/61/87/567926187.db2.gz MTOHFSPILHDPGE-UHFFFAOYSA-N 1 0 286.419 3.992 40 10 CHCBRO C[N@H+]1CC=C(/C=C/c2ccc(N3CCCCC3)cc2)CC1 ZINC000004933138 567932825 /nfs/dbraw/zinc/93/28/25/567932825.db2.gz KRHWCQQXRMQMGB-AATRIKPKSA-N 1 0 282.431 3.952 40 10 CHCBRO Cc1cc(C[NH2+]CC(C)C)c(C)n1-c1ccccc1F ZINC000223669293 567950241 /nfs/dbraw/zinc/95/02/41/567950241.db2.gz HUDAMHDQVWMYKY-UHFFFAOYSA-N 1 0 274.383 3.979 40 10 CHCBRO C[NH2+]Cc1cc(C)n(-c2cccc(Cl)c2C)c1C ZINC000223671871 567950258 /nfs/dbraw/zinc/95/02/58/567950258.db2.gz SPBBYUNURNRMLE-UHFFFAOYSA-N 1 0 262.784 3.775 40 10 CHCBRO CC[NH2+]Cc1cc(C)n(-c2ccccc2Cl)c1C ZINC000223670240 567950383 /nfs/dbraw/zinc/95/03/83/567950383.db2.gz PDRKGRXQRHODIX-UHFFFAOYSA-N 1 0 262.784 3.857 40 10 CHCBRO CC(C)N1c2cc(F)c(C[NH3+])cc2[C@@H](C)CC1(C)C ZINC000223781249 567950845 /nfs/dbraw/zinc/95/08/45/567950845.db2.gz ILKFMFPLHWLVDG-NSHDSACASA-N 1 0 264.388 3.785 40 10 CHCBRO CCCN1c2cc(OC)c(C[NH2+]C)cc2[C@@H](C)CC1(C)C ZINC000223783912 567950982 /nfs/dbraw/zinc/95/09/82/567950982.db2.gz TWDAAQHXFASWKA-ZDUSSCGKSA-N 1 0 290.451 3.917 40 10 CHCBRO CCN1c2cc(Cl)c(C[NH3+])cc2C(C)=CC1(C)C ZINC000223795993 567951023 /nfs/dbraw/zinc/95/10/23/567951023.db2.gz RIUPQNJFVNGQOH-UHFFFAOYSA-N 1 0 264.800 3.821 40 10 CHCBRO C[NH2+]Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(C)C ZINC000223782294 136584126 /nfs/dbraw/zinc/58/41/26/136584126.db2.gz NOXNQHFXRDBTBP-ZDUSSCGKSA-N 1 0 260.425 3.907 40 10 CHCBRO CCCn1cc2c3c1cccc3[C@H]1C=C(C)C[N@H+](C)[C@@H]1C2 ZINC000005139236 170069901 /nfs/dbraw/zinc/06/99/01/170069901.db2.gz BHVLXRUVIPEIKP-SJLPKXTDSA-N 1 0 280.415 3.951 40 10 CHCBRO CCN(CC)c1ccc(C[NH2+]Cc2ccccc2)cc1 ZINC000006869703 170251478 /nfs/dbraw/zinc/25/14/78/170251478.db2.gz JIYCLIRGFNOBAK-UHFFFAOYSA-N 1 0 268.404 3.823 40 10 CHCBRO Cc1[nH]c2ccc(F)cc2c1/C=C/c1cccc(C)[n+]1C ZINC000013628738 170570728 /nfs/dbraw/zinc/57/07/28/170570728.db2.gz OJNWHNCXEZXWMB-UHFFFAOYSA-O 1 0 281.354 3.919 40 10 CHCBRO CCN1c2cc(C)c(C[NH2+]C)cc2[C@@H](C)CC1(C)C ZINC000223782606 567950695 /nfs/dbraw/zinc/95/06/95/567950695.db2.gz FCQSHCQEKHLXNZ-ZDUSSCGKSA-N 1 0 260.425 3.827 40 10 CHCBRO COc1cc2c(cc1C[NH3+])C(C)=CC(C)(C)N2C(C)C ZINC000223796899 567950996 /nfs/dbraw/zinc/95/09/96/567950996.db2.gz AJKMNMWOGMBLQI-UHFFFAOYSA-N 1 0 274.408 3.564 40 10 CHCBRO CCC[NH2+]Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C ZINC000223786450 567951014 /nfs/dbraw/zinc/95/10/14/567951014.db2.gz SWGAHPXGUNSSSJ-CYBMUJFWSA-N 1 0 260.425 3.908 40 10 CHCBRO CC(C)N1c2cc(F)c(C[NH3+])cc2[C@H](C)CC1(C)C ZINC000260717137 328054626 /nfs/dbraw/zinc/05/46/26/328054626.db2.gz ILKFMFPLHWLVDG-LLVKDONJSA-N 1 0 264.388 3.785 40 10 CHCBRO COc1ccccc1N[N+](=O)c1ccccc1OC ZINC000004582679 567858445 /nfs/dbraw/zinc/85/84/45/567858445.db2.gz KVJYJSHGAOIUAH-FOCLMDBBSA-N 1 0 258.277 3.630 40 10 CHCBRO COc1ccccc1-n1c(C)cc(C[NH2+]CC(C)C)c1C ZINC000113704210 567925993 /nfs/dbraw/zinc/92/59/93/567925993.db2.gz DIBONLCHSLLFLA-UHFFFAOYSA-N 1 0 286.419 3.848 40 10 CHCBRO C[n+]1ccccc1/C=C/c1ccc(N2CCCCC2)cc1 ZINC000004932999 567932831 /nfs/dbraw/zinc/93/28/31/567932831.db2.gz MRUGETJYAWUSHB-UHFFFAOYSA-N 1 0 279.407 3.672 40 10 CHCBRO CCC[NH2+]Cc1cc(C)n(-c2ccc(F)cc2)c1C ZINC000223669727 567950405 /nfs/dbraw/zinc/95/04/05/567950405.db2.gz GEDMUUQONGSIET-UHFFFAOYSA-N 1 0 260.356 3.733 40 10 CHCBRO CC1=CC(C)(C)N(C(C)C)c2cc(F)c(C[NH3+])cc21 ZINC000223796498 567950988 /nfs/dbraw/zinc/95/09/88/567950988.db2.gz VCMPSQYEWQQSPB-UHFFFAOYSA-N 1 0 262.372 3.695 40 10 CHCBRO CCCN1c2cc(OC)c(C[NH2+]C)cc2C(C)=CC1(C)C ZINC000223798854 1125446207 /nfs/dbraw/zinc/44/62/07/1125446207.db2.gz WXAIENOCAPOSKG-UHFFFAOYSA-N 1 0 288.435 3.827 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1OC)N(CC)C(C)(C)C=C2C ZINC000223800876 1125446235 /nfs/dbraw/zinc/44/62/35/1125446235.db2.gz XGJLTRYKGOYMSR-UHFFFAOYSA-N 1 0 288.435 3.827 40 10 CHCBRO [NH3+]CCCCN1c2ccccc2Oc2ccccc21 ZINC000085385229 135036721 /nfs/dbraw/zinc/03/67/21/135036721.db2.gz ZHTDJZMGTSAEJX-UHFFFAOYSA-N 1 0 254.333 3.669 40 10 CHCBRO CCCC[C@H](CC)[C@@H]1[NH2+]CCc2cc(O)c(O)cc21 ZINC000007262051 170274067 /nfs/dbraw/zinc/27/40/67/170274067.db2.gz WZELGCZLVTZCTN-ZBEGNZNMSA-N 1 0 263.381 3.501 40 10 CHCBRO CCCN1c2cc(C)c(C[NH3+])cc2[C@H](C)CC1(C)C ZINC000260719617 328055046 /nfs/dbraw/zinc/05/50/46/328055046.db2.gz KKTGBWZLOVLUAN-CYBMUJFWSA-N 1 0 260.425 3.956 40 10 CHCBRO Cc1n[n+]2c([O-])c(-c3ccccc3)sc2c2ccccc12 ZINC000012176695 567114267 /nfs/dbraw/zinc/11/42/67/567114267.db2.gz UPZYFIGBAAKIFS-UHFFFAOYSA-O 1 0 293.371 3.716 40 10 CHCBRO CS/C(=C/c1ccc2ccccc2[n+]1C)N1CCCCC1 ZINC000001576512 567838313 /nfs/dbraw/zinc/83/83/13/567838313.db2.gz GKHZYAHEUHXRCQ-UHFFFAOYSA-N 1 0 299.463 3.812 40 10 CHCBRO C[NH2+]Cc1cc(C)n(-c2ccc(Cl)cc2C)c1C ZINC000223672457 567950337 /nfs/dbraw/zinc/95/03/37/567950337.db2.gz WODGTMABBZBLGD-UHFFFAOYSA-N 1 0 262.784 3.775 40 10 CHCBRO CCN1c2cc(Cl)c(C[NH3+])cc2[C@@H](C)CC1(C)C ZINC000223780581 567950544 /nfs/dbraw/zinc/95/05/44/567950544.db2.gz CLNMEPUOCIYNDI-JTQLQIEISA-N 1 0 266.816 3.911 40 10 CHCBRO C[NH2+]Cc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@@H]2C ZINC000223783992 567950906 /nfs/dbraw/zinc/95/09/06/567950906.db2.gz OBGPISXSEMVLSE-ZDUSSCGKSA-N 1 0 290.451 3.915 40 10 CHCBRO CCCCN1c2cc(OC)c(C[NH3+])cc2C(C)=CC1(C)C ZINC000223796971 136584495 /nfs/dbraw/zinc/58/44/95/136584495.db2.gz KTEJJPNOUJBZOZ-UHFFFAOYSA-N 1 0 288.435 3.956 40 10 CHCBRO CC[N@@H+]1CCC[C@H]1c1ccc(-n2c(C)ccc2C)nc1 ZINC000072216754 567921177 /nfs/dbraw/zinc/92/11/77/567921177.db2.gz MXRHQRQTEOOCFX-INIZCTEOSA-N 1 0 269.392 3.646 40 10 CHCBRO CCN1C=CC(=Cc2ccc3cc(C)ccc3[n+]2C)C=C1 ZINC000000188589 567929609 /nfs/dbraw/zinc/92/96/09/567929609.db2.gz YUJVIRJJKKWYRP-UHFFFAOYSA-N 1 0 277.391 3.719 40 10 CHCBRO C[NH2+]Cc1cc(C)n(-c2ccc(C)c(Cl)c2)c1C ZINC000223673521 567950272 /nfs/dbraw/zinc/95/02/72/567950272.db2.gz YZLKKUQAMPBXQO-UHFFFAOYSA-N 1 0 262.784 3.775 40 10 CHCBRO CC[n+]1ccccc1/C=C/C=C/c1ccc(N(C)C)cc1 ZINC000002531028 567847855 /nfs/dbraw/zinc/84/78/55/567847855.db2.gz YOOOGFDAPYPHJI-UHFFFAOYSA-N 1 0 279.407 3.787 40 10 CHCBRO O=[N+](C=Cc1ccccc1)N(O)C=Cc1ccccc1 ZINC000104104290 567916085 /nfs/dbraw/zinc/91/60/85/567916085.db2.gz IMCACXURBYAWBB-VKHQDECPSA-N 1 0 266.300 3.801 40 10 CHCBRO CC[N@@H+]1CCC[C@@H]1c1ccc(-n2c(C)ccc2C)nc1 ZINC000072216753 567921257 /nfs/dbraw/zinc/92/12/57/567921257.db2.gz MXRHQRQTEOOCFX-MRXNPFEDSA-N 1 0 269.392 3.646 40 10 CHCBRO C[NH2+]Cc1cc2c(cc1Cl)N(C)C(C)(C)C[C@@H]2C ZINC000223782929 567950549 /nfs/dbraw/zinc/95/05/49/567950549.db2.gz KPOIMWXFWPSYSS-JTQLQIEISA-N 1 0 266.816 3.781 40 10 CHCBRO CCCN1c2cc(F)c(C[NH2+]C)cc2C(C)=CC1(C)C ZINC000223798444 1125445981 /nfs/dbraw/zinc/44/59/81/1125445981.db2.gz SWUALHJJYSPOJF-UHFFFAOYSA-N 1 0 276.399 3.957 40 10 CHCBRO CCC[NH2+]Cc1cc2c(cc1OC)N(C)C(C)(C)C[C@H]2C ZINC000260714683 328054550 /nfs/dbraw/zinc/05/45/50/328054550.db2.gz DVGGJFPJFJRFKW-CYBMUJFWSA-N 1 0 290.451 3.917 40 10 CHCBRO CCN(CC)c1ccc(/C=C/c2cccc[n+]2C)c(OC)c1 ZINC000004932987 567932813 /nfs/dbraw/zinc/93/28/13/567932813.db2.gz ABNIXZPHXZZTEL-UHFFFAOYSA-N 1 0 297.422 3.536 40 10 CHCBRO CC[NH2+]Cc1cc(C)n(-c2cc(C)cc(C)c2)c1C ZINC000223668516 567950416 /nfs/dbraw/zinc/95/04/16/567950416.db2.gz SYSXOZGHDFDBRB-UHFFFAOYSA-N 1 0 256.393 3.820 40 10 CHCBRO Cc1[nH]c2ccccc2c1/C=C/c1cccc(C)[n+]1C ZINC000009302639 170370596 /nfs/dbraw/zinc/37/05/96/170370596.db2.gz SLUKDXBZQNFQPW-UHFFFAOYSA-O 1 0 263.364 3.780 40 10 CHCBRO CCCN1c2cc(F)c(C[NH3+])cc2[C@H](C)CC1(C)C ZINC000260725469 328055247 /nfs/dbraw/zinc/05/52/47/328055247.db2.gz WPMKXIBZSHCACT-LLVKDONJSA-N 1 0 264.388 3.787 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1C)N(C)C(C)(C)C[C@H]2C ZINC000260725494 328055296 /nfs/dbraw/zinc/05/52/96/328055296.db2.gz XBWDPTMINSWEID-CYBMUJFWSA-N 1 0 260.425 3.827 40 10 CHCBRO Cc1ccc([C@@H]([NH3+])c2ccc3ccccc3c2O)cc1 ZINC000032098990 567885525 /nfs/dbraw/zinc/88/55/25/567885525.db2.gz PBWRKTMVIOSTKI-QGZVFWFLSA-N 1 0 263.340 3.902 40 10 CHCBRO Cc1ccc(C)n1-c1ncccc1[C@H]1CCCC[N@H+]1C ZINC000072216837 567920936 /nfs/dbraw/zinc/92/09/36/567920936.db2.gz BKONVGXAINHJHW-MRXNPFEDSA-N 1 0 269.392 3.646 40 10 CHCBRO CCC[NH2+]Cc1cc(C)n(-c2ccccc2C)c1C ZINC000223665145 567950301 /nfs/dbraw/zinc/95/03/01/567950301.db2.gz VQABMJQQHLAGFN-UHFFFAOYSA-N 1 0 256.393 3.902 40 10 CHCBRO C[NH2+]Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C ZINC000223674755 567950367 /nfs/dbraw/zinc/95/03/67/567950367.db2.gz MHJGYMYCWYGMRQ-UHFFFAOYSA-N 1 0 282.309 3.832 40 10 CHCBRO CCC[NH2+]Cc1ccc2c(c1)C(C)=CC(C)(C)N2C ZINC000223801192 1125446500 /nfs/dbraw/zinc/44/65/00/1125446500.db2.gz VLRQLULZHLQALX-UHFFFAOYSA-N 1 0 258.409 3.818 40 10 CHCBRO C[NH2+]Cc1cc2c(cc1OC)N(C(C)C)C(C)(C)C[C@H]2C ZINC000260722366 328055159 /nfs/dbraw/zinc/05/51/59/328055159.db2.gz OBGPISXSEMVLSE-CYBMUJFWSA-N 1 0 290.451 3.915 40 10 CHCBRO C[NH+](C)Cc1cc(C(C)(C)c2ccccc2)ccc1O ZINC000001683260 567841472 /nfs/dbraw/zinc/84/14/72/567841472.db2.gz VCUAKKOSVKUSHQ-UHFFFAOYSA-N 1 0 269.388 3.780 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1C)N(C)C(C)(C)C[C@@H]2C ZINC000223784749 567951049 /nfs/dbraw/zinc/95/10/49/567951049.db2.gz XBWDPTMINSWEID-ZDUSSCGKSA-N 1 0 260.425 3.827 40 10 CHCBRO CCCC[C@H](CC)[C@H]1[NH2+]CCc2cc(O)c(O)cc21 ZINC000007262050 170274000 /nfs/dbraw/zinc/27/40/00/170274000.db2.gz WZELGCZLVTZCTN-MEDUHNTESA-N 1 0 263.381 3.501 40 10 CHCBRO Cc1ccc2[nH]cc(/C=C/c3cccc(C)[n+]3C)c2c1 ZINC000009340612 170373366 /nfs/dbraw/zinc/37/33/66/170373366.db2.gz PYGSMTCCUPCQKN-UHFFFAOYSA-O 1 0 263.364 3.780 40 10 CHCBRO COc1ccc(-n2c(C)cc(C[NH2+]CC(C)C)c2C)cc1 ZINC000113704461 567926244 /nfs/dbraw/zinc/92/62/44/567926244.db2.gz DBYZQHLXFHSMDD-UHFFFAOYSA-N 1 0 286.419 3.848 40 10 CHCBRO COc1cc2c(cc1C[NH2+]C(C)C)C(C)=CC(C)(C)N2C ZINC000223822939 570313411 /nfs/dbraw/zinc/31/34/11/570313411.db2.gz LIJGYLPIYWIEGN-UHFFFAOYSA-N 1 0 288.435 3.825 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1C)N(C)C(C)(C)C=C2C ZINC000223799534 1125446559 /nfs/dbraw/zinc/44/65/59/1125446559.db2.gz NRPIIVBQGGXKKT-UHFFFAOYSA-N 1 0 258.409 3.736 40 10 CHCBRO C[NH+](C)CC1=CC(=NNc2ccccc2)C=CC1=O ZINC000103980572 185874702 /nfs/dbraw/zinc/87/47/02/185874702.db2.gz JYRZXXWNMUDGMD-MSUUIHNZSA-N 1 0 255.321 3.869 40 10 CHCBRO CCN(CC)c1ccc(C[NH2+]C2CCCCC2)cc1 ZINC000004718438 170004625 /nfs/dbraw/zinc/00/46/25/170004625.db2.gz DNNDZNAXVVCAIO-UHFFFAOYSA-N 1 0 260.425 3.955 40 10 CHCBRO CC[NH2+]Cc1cc(C)n(-c2cc(C)ccc2C)c1C ZINC000223667267 567950403 /nfs/dbraw/zinc/95/04/03/567950403.db2.gz NHRIQQGJBNMWKS-UHFFFAOYSA-N 1 0 256.393 3.820 40 10 CHCBRO COc1cc2c(cc1C[NH2+]C(C)C)[C@@H](C)CC(C)(C)N2C ZINC000223790394 567950958 /nfs/dbraw/zinc/95/09/58/567950958.db2.gz SWUHMQVUGGQHCX-ZDUSSCGKSA-N 1 0 290.451 3.915 40 10 CHCBRO CC1=CC(C)(C)N(C)c2ccc(C[NH2+]C(C)C)cc21 ZINC000223821340 570313365 /nfs/dbraw/zinc/31/33/65/570313365.db2.gz NCCKCBGDPRNFKL-UHFFFAOYSA-N 1 0 258.409 3.816 40 10 CHCBRO C[NH2+]Cc1ccc2c(c1)C(C)=CC(C)(C)N2C(C)C ZINC000223797313 1125444903 /nfs/dbraw/zinc/44/49/03/1125444903.db2.gz WYFDXZAPSRDFGZ-UHFFFAOYSA-N 1 0 258.409 3.816 40 10 CHCBRO CCCN1c2cc(C)c(C[NH3+])cc2C(C)=CC1(C)C ZINC000223795718 136584368 /nfs/dbraw/zinc/58/43/68/136584368.db2.gz RNBSSXJNMBQHAF-UHFFFAOYSA-N 1 0 258.409 3.866 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1F)N(C)C(C)(C)C[C@H]2C ZINC000260722574 328055022 /nfs/dbraw/zinc/05/50/22/328055022.db2.gz QEVRYANANHDSPM-LLVKDONJSA-N 1 0 264.388 3.657 40 10 CHCBRO CCN1c2cc(Cl)c(C[NH3+])cc2[C@H](C)CC1(C)C ZINC000260714448 328056121 /nfs/dbraw/zinc/05/61/21/328056121.db2.gz CLNMEPUOCIYNDI-SNVBAGLBSA-N 1 0 266.816 3.911 40 10 CHCBRO C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(C[NH3+])cc21 ZINC000223780499 567950546 /nfs/dbraw/zinc/95/05/46/567950546.db2.gz XOSYOPWNVAKQQH-VIFPVBQESA-N 1 0 252.789 3.521 40 10 CHCBRO Cc1cc2c(cc1C[NH3+])[C@H](C)CC(C)(C)N2C(C)C ZINC000223780265 567950576 /nfs/dbraw/zinc/95/05/76/567950576.db2.gz JMLYREOFJVLMKZ-CYBMUJFWSA-N 1 0 260.425 3.954 40 10 CHCBRO CC[NH2+]Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2CC ZINC000223784380 567950947 /nfs/dbraw/zinc/95/09/47/567950947.db2.gz MUJVQQMTTLCGAL-CYBMUJFWSA-N 1 0 260.425 3.908 40 10 CHCBRO CCCC[NH2+]Cc1cc(C)n(-c2ccccc2)c1C ZINC000037329023 173130048 /nfs/dbraw/zinc/13/00/48/173130048.db2.gz QBXBTQKLIAKWHN-UHFFFAOYSA-N 1 0 256.393 3.984 40 10 CHCBRO CCCN1c2cc(OC)c(C[NH3+])cc2[C@H](C)CC1(C)C ZINC000260719654 328054991 /nfs/dbraw/zinc/05/49/91/328054991.db2.gz LFUTWNNCTLFKBB-GFCCVEGCSA-N 1 0 276.424 3.656 40 10 CHCBRO CC(C)[NH2+]Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C ZINC000223788543 567951036 /nfs/dbraw/zinc/95/10/36/567951036.db2.gz AQLXSVIKWMYXRQ-CYBMUJFWSA-N 1 0 260.425 3.907 40 10 CHCBRO CC[NH2+]Cc1cc(C)n(-c2ccc(C)cc2C)c1C ZINC000223666692 567950267 /nfs/dbraw/zinc/95/02/67/567950267.db2.gz NNGNOVXATBLWKN-UHFFFAOYSA-N 1 0 256.393 3.820 40 10 CHCBRO COc1cc2c(cc1C[NH3+])[C@H](C)CC(C)(C)N2C(C)C ZINC000223781798 567950573 /nfs/dbraw/zinc/95/05/73/567950573.db2.gz GCRYYTXQIHLHHN-GFCCVEGCSA-N 1 0 276.424 3.655 40 10 CHCBRO CC[n+]1ccc(/C=C/C=C/c2ccc(N(C)C)cc2)cc1 ZINC000004272054 567856536 /nfs/dbraw/zinc/85/65/36/567856536.db2.gz ZLKWXZQZCOEHJJ-UHFFFAOYSA-N 1 0 279.407 3.787 40 10 CHCBRO CCC[NH2+]Cc1cc2c(cc1OC)N(C)C(C)(C)C[C@@H]2C ZINC000223788077 567950932 /nfs/dbraw/zinc/95/09/32/567950932.db2.gz DVGGJFPJFJRFKW-ZDUSSCGKSA-N 1 0 290.451 3.917 40 10 CHCBRO Oc1ccc(Cl)cc1C[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1 ZINC000004934792 170042189 /nfs/dbraw/zinc/04/21/89/170042189.db2.gz GHXHNLPIXBQUDS-RYUDHWBXSA-N 1 0 265.784 3.668 40 10 CHCBRO CCC[NH2+]Cc1cc(C)n(-c2ccccc2F)c1C ZINC000223669145 567950318 /nfs/dbraw/zinc/95/03/18/567950318.db2.gz OHGBGNMNQXESCK-UHFFFAOYSA-N 1 0 260.356 3.733 40 10 CHCBRO CN(C)c1ccc(/C=C/C2=[N+](C)c3ccccc3C2)cc1 ZINC000001663983 567840357 /nfs/dbraw/zinc/84/03/57/567840357.db2.gz FZRRGZZSZJVYRX-UHFFFAOYSA-N 1 0 277.391 3.737 40 10 CHCBRO CC(C)[NH2+]Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C ZINC000223788484 567950971 /nfs/dbraw/zinc/95/09/71/567950971.db2.gz AQLXSVIKWMYXRQ-ZDUSSCGKSA-N 1 0 260.425 3.907 40 10 CHCBRO CCN1c2cc(F)c(C[NH2+]C)cc2C(C)=CC1(C)C ZINC000223798359 1125446319 /nfs/dbraw/zinc/44/63/19/1125446319.db2.gz SWPRYYYUVUOOPX-UHFFFAOYSA-N 1 0 262.372 3.567 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1F)N(C)C(C)(C)C=C2C ZINC000223800359 1125446521 /nfs/dbraw/zinc/44/65/21/1125446521.db2.gz AIVPKPNKWMZZPE-UHFFFAOYSA-N 1 0 262.372 3.567 40 10 CHCBRO CN(C)c1ccc(C[NH2+]C2CCCCCCC2)cc1 ZINC000006871500 529782384 /nfs/dbraw/zinc/78/23/84/529782384.db2.gz MJIPJPODZAUUQW-UHFFFAOYSA-N 1 0 260.425 3.955 40 10 CHCBRO COc1cccc(-n2c(C)cc(C[NH2+]CC(C)C)c2C)c1 ZINC000223674378 567950197 /nfs/dbraw/zinc/95/01/97/567950197.db2.gz AENKURHFMOKDOM-UHFFFAOYSA-N 1 0 286.419 3.848 40 10 CHCBRO CCCN1c2cc(C)c(C[NH3+])cc2[C@@H](C)CC1(C)C ZINC000223780111 567950655 /nfs/dbraw/zinc/95/06/55/567950655.db2.gz KKTGBWZLOVLUAN-ZDUSSCGKSA-N 1 0 260.425 3.956 40 10 CHCBRO CCCN1c2cc(F)c(C[NH3+])cc2[C@@H](C)CC1(C)C ZINC000223781163 567950760 /nfs/dbraw/zinc/95/07/60/567950760.db2.gz WPMKXIBZSHCACT-NSHDSACASA-N 1 0 264.388 3.787 40 10 CHCBRO CCN1c2cc(OC)c(C[NH2+]C)cc2[C@@H](C)CC1(C)C ZINC000223783831 567950943 /nfs/dbraw/zinc/95/09/43/567950943.db2.gz ZQTKLMLCQBCRTG-LBPRGKRZSA-N 1 0 276.424 3.527 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1OC)N(CC)C(C)(C)C[C@@H]2C ZINC000223786064 567951030 /nfs/dbraw/zinc/95/10/30/567951030.db2.gz FQWOISKOVSEZPN-ZDUSSCGKSA-N 1 0 290.451 3.917 40 10 CHCBRO CCC[NH2+]Cc1cc2c(cc1F)N(C)C(C)(C)C=C2C ZINC000223802458 570313374 /nfs/dbraw/zinc/31/33/74/570313374.db2.gz GNGJDNKERSSLQK-UHFFFAOYSA-N 1 0 276.399 3.957 40 10 CHCBRO CCCN1c2cc(F)c(C[NH3+])cc2C(C)=CC1(C)C ZINC000223796417 136584550 /nfs/dbraw/zinc/58/45/50/136584550.db2.gz AQHACXDCSPYPMV-UHFFFAOYSA-N 1 0 262.372 3.696 40 10 CHCBRO Cc1cc(N2CCCC2)ccc1/C=C/c1cc[n+](C)cc1 ZINC000004932916 184532218 /nfs/dbraw/zinc/53/22/18/184532218.db2.gz PFUNTUUPTWHMBP-UHFFFAOYSA-N 1 0 279.407 3.590 40 10 CHCBRO c1ccc2c(c1)CCc1ccccc1C2=C1CC[NH2+]CC1 ZINC000000967388 169683163 /nfs/dbraw/zinc/68/31/63/169683163.db2.gz WODOUWGGUWAIBD-UHFFFAOYSA-N 1 0 275.395 3.971 40 10 CHCBRO CC[NH2+]Cc1cc2c(cc1OC)N(CC)C(C)(C)C[C@H]2C ZINC000260716786 328054662 /nfs/dbraw/zinc/05/46/62/328054662.db2.gz FQWOISKOVSEZPN-CYBMUJFWSA-N 1 0 290.451 3.917 40 10 CHCBRO Cc1cc([C@@H]2CCCCC[N@@H+]2Cc2ccccc2O)on1 ZINC000019120315 567877310 /nfs/dbraw/zinc/87/73/10/567877310.db2.gz QDKBIECLUJNWON-HNNXBMFYSA-N 1 0 286.375 3.806 40 10 CHCBRO C[N+](C)([O-])c1ccc(N[N+](=O)c2ccccc2)cc1 ZINC000102314523 570318414 /nfs/dbraw/zinc/31/84/14/570318414.db2.gz AMRKNSZEYUZQBC-FOCLMDBBSA-N 1 0 257.293 3.677 40 10 CHCBRO CCCC[C@@H](CC)[C@H]1[NH2+]CCc2cc(O)c(O)cc21 ZINC000007262028 170273846 /nfs/dbraw/zinc/27/38/46/170273846.db2.gz WZELGCZLVTZCTN-BDJLRTHQSA-N 1 0 263.381 3.501 40 10 CHCBRO CCCN1c2ccc(C[NH2+]C)cc2[C@H](C)CC1(C)C ZINC000260722399 328055021 /nfs/dbraw/zinc/05/50/21/328055021.db2.gz OIDBRPIGGCXZJY-CYBMUJFWSA-N 1 0 260.425 3.908 40 10 CHCBRO CC[N@@H+]1CCC[C@@H]1c1cccnc1-n1c(C)ccc1C ZINC000072216813 567921010 /nfs/dbraw/zinc/92/10/10/567921010.db2.gz WUNGATDUKSCQFP-MRXNPFEDSA-N 1 0 269.392 3.646 40 10 CHCBRO Cc1ccc(C)n1-c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072216777 567921055 /nfs/dbraw/zinc/92/10/55/567921055.db2.gz LZGVVKLIFFSAAU-MRXNPFEDSA-N 1 0 269.392 3.646 40 10 CHCBRO CCC[NH2+]Cc1cc(C)n(-c2ccccc2OC)c1C ZINC000223674001 567950256 /nfs/dbraw/zinc/95/02/56/567950256.db2.gz PTDVZHWPKKHYFP-UHFFFAOYSA-N 1 0 272.392 3.602 40 10 CHCBRO CC[NH2+]Cc1cc(C)n(-c2cccc(Cl)c2)c1C ZINC000223670817 567950432 /nfs/dbraw/zinc/95/04/32/567950432.db2.gz CIYFOCCISOWDMP-UHFFFAOYSA-N 1 0 262.784 3.857 40 10 CHCBRO CCC[NH2+]Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C ZINC000223786400 567951047 /nfs/dbraw/zinc/95/10/47/567951047.db2.gz SWGAHPXGUNSSSJ-ZDUSSCGKSA-N 1 0 260.425 3.908 40 10 CHCBRO CC[NH2+]Cc1ccc2c(c1)C(C)=CC(C)(C)N2CC ZINC000223799207 535479501 /nfs/dbraw/zinc/47/95/01/535479501.db2.gz ZOBYUNFYKSNJIT-UHFFFAOYSA-N 1 0 258.409 3.818 40 10 CHCBRO Cc1cc(N2CCCC2)ccc1/C=C/c1cccc[n+]1C ZINC000004933011 567932696 /nfs/dbraw/zinc/93/26/96/567932696.db2.gz HFQFSCRGLNCHBK-UHFFFAOYSA-N 1 0 279.407 3.590 40 10 CHCBRO CC(C)[NH2+]Cc1ccc(N2CCCC2)cc1C(F)(F)F ZINC000095093809 567940252 /nfs/dbraw/zinc/94/02/52/567940252.db2.gz DIQZZYKZQGHRSS-UHFFFAOYSA-N 1 0 286.341 3.804 40 10 CHCBRO CCC[NH2+]Cc1cc(C)n(-c2cccc(C)c2)c1C ZINC000223665691 567950200 /nfs/dbraw/zinc/95/02/00/567950200.db2.gz BRYQMRIRHQAZJX-UHFFFAOYSA-N 1 0 256.393 3.902 40 10 CHCBRO CCCCN1c2ccc(C[NH3+])cc2C(C)=CC1(C)C ZINC000223795485 567950934 /nfs/dbraw/zinc/95/09/34/567950934.db2.gz HQIHLFJEYQSPAC-UHFFFAOYSA-N 1 0 258.409 3.947 40 10 CHCBRO