smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)S/C1=C/c1ccncc1 ZINC000001234198 187244837 /nfs/dbraw/zinc/24/48/37/187244837.db2.gz KNTSNHQKRQFSSZ-FNORWQNLSA-N -1 1 222.294 1.570 50 10 BDCAMM CN(C)c1ccc(/C=C2/NC(=S)[N-]C2=O)cc1 ZINC000012341219 187250645 /nfs/dbraw/zinc/25/06/45/187250645.db2.gz JDEZMVXJIDKERE-JXMROGBWSA-N -1 1 247.323 1.098 50 10 BDCAMM O=C1[N-]C(=S)S/C1=C\c1cccc(O)c1 ZINC000012407284 342851897 /nfs/dbraw/zinc/85/18/97/342851897.db2.gz ZCQNEHSJTBPNPT-YVMONPNESA-N -1 1 237.305 1.881 50 10 BDCAMM O=c1[nH]nc2[n-]c3c(cc1-2)C(=O)c1ccccc1-3 ZINC000018200991 384992538 /nfs/dbraw/zinc/99/25/38/384992538.db2.gz WIIKZBUPHUOEMX-UHFFFAOYSA-N -1 1 237.218 1.875 50 10 BDCAMM O=Cc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000012695002 384331321 /nfs/dbraw/zinc/33/13/21/384331321.db2.gz QSCTZTIMXSIZQE-UITAMQMPSA-N -1 1 249.316 1.988 50 10 BDCAMM O=c1[nH][nH]cc1C=Nc1ccccc1Cl ZINC000100392065 384431431 /nfs/dbraw/zinc/43/14/31/384431431.db2.gz GHGIIBIZZBWCGP-ALCCZGGFSA-N -1 1 221.647 1.751 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccco1 ZINC000017747695 342927925 /nfs/dbraw/zinc/92/79/25/342927925.db2.gz VQRARDATQWRHGF-UHFFFAOYSA-N -1 1 222.225 1.034 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccco1 ZINC000017747695 342927927 /nfs/dbraw/zinc/92/79/27/342927927.db2.gz VQRARDATQWRHGF-UHFFFAOYSA-N -1 1 222.225 1.034 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccco1 ZINC000017747695 342927928 /nfs/dbraw/zinc/92/79/28/342927928.db2.gz VQRARDATQWRHGF-UHFFFAOYSA-N -1 1 222.225 1.034 50 10 BDCAMM CCN1C(=O)C(=Cc2ccc[nH]2)C(=O)[N-]C1=S ZINC000001299470 353131831 /nfs/dbraw/zinc/13/18/31/353131831.db2.gz MYACENXXIJVDCZ-SOFGYWHQSA-N -1 1 249.295 1.073 50 10 BDCAMM O=c1[nH][nH]cc1C=Nc1ccccc1Cl ZINC000100392067 384431118 /nfs/dbraw/zinc/43/11/18/384431118.db2.gz GHGIIBIZZBWCGP-FNORWQNLSA-N -1 1 221.647 1.751 50 10 BDCAMM CC(=O)c1cc(O)c([O-])c(C(C)=O)c1O ZINC000001460502 387011030 /nfs/dbraw/zinc/01/10/30/387011030.db2.gz VBUDCYFTCRYZAS-UHFFFAOYSA-N -1 1 210.185 1.209 50 10 BDCAMM O=c1[nH][n-]cc1C=Nc1ccc(F)cc1F ZINC000095921840 388790067 /nfs/dbraw/zinc/79/00/67/388790067.db2.gz QUNUPXXPZCSPTD-XQRVVYSFSA-N -1 1 223.182 1.376 50 10 BDCAMM CCOC(=O)c1[n-]cnc1N=NN(C)C ZINC000017379366 170307806 /nfs/dbraw/zinc/30/78/06/170307806.db2.gz MXJFBGXKWACYNQ-VAWYXSNFSA-N -1 1 211.225 1.147 50 10 BDCAMM CCn1cc(C=C2SC(=S)[N-]C2=O)cn1 ZINC000002573445 172149892 /nfs/dbraw/zinc/14/98/92/172149892.db2.gz RVPONRQKPHDOJM-CLTKARDFSA-N -1 1 239.325 1.803 50 10 BDCAMM O=c1oc2cc([O-])c(O)cc2c2c1CCC2 ZINC000008733318 342803992 /nfs/dbraw/zinc/80/39/92/342803992.db2.gz SVJUCZRXXOSNKR-UHFFFAOYSA-N -1 1 218.208 1.693 50 10 biogenic BDCAMM COC(=O)c1sc(SC)cc1[O-] ZINC000051943297 384704082 /nfs/dbraw/zinc/70/40/82/384704082.db2.gz RCNZXUHRNBXXSF-UHFFFAOYSA-N -1 1 204.272 1.962 50 10 BDCAMM O=C1[N-]C(=S)SC1=CNc1ccccn1 ZINC000103711068 410910964 /nfs/dbraw/zinc/91/09/64/410910964.db2.gz SYHJUQDILCTAGE-WAYWQWQTSA-N -1 1 237.309 1.483 50 10 BDCAMM O=C1[N-]C(=O)/C(=C/c2cccc(F)c2)C(=O)N1 ZINC000008968678 342806290 /nfs/dbraw/zinc/80/62/90/342806290.db2.gz FNFPBHZOAYXEHJ-UHFFFAOYSA-N -1 1 234.186 1.415 50 10 BDCAMM O=C1[N-]C(=O)/C(=C\c2cccc(F)c2)C(=O)N1 ZINC000008968678 342806292 /nfs/dbraw/zinc/80/62/92/342806292.db2.gz FNFPBHZOAYXEHJ-UHFFFAOYSA-N -1 1 234.186 1.415 50 10 BDCAMM O=C1C=CC(=NNc2nc[nH]n2)C([O-])=C1 ZINC000254510521 388810777 /nfs/dbraw/zinc/81/07/77/388810777.db2.gz CJVFCRNUSLAWGY-UHFFFAOYSA-N -1 1 205.177 1.631 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1cccs1 ZINC000006093580 188103237 /nfs/dbraw/zinc/10/32/37/188103237.db2.gz WCJYQNYSKWLZTR-UHFFFAOYSA-N -1 1 238.293 1.503 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1cccs1 ZINC000006093580 188103239 /nfs/dbraw/zinc/10/32/39/188103239.db2.gz WCJYQNYSKWLZTR-UHFFFAOYSA-N -1 1 238.293 1.503 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cccs1 ZINC000006093580 188103240 /nfs/dbraw/zinc/10/32/40/188103240.db2.gz WCJYQNYSKWLZTR-UHFFFAOYSA-N -1 1 238.293 1.503 50 10 BDCAMM O=C(CN1CCCC1)c1ccc([O-])c(O)c1 ZINC000002018254 359743595 /nfs/dbraw/zinc/74/35/95/359743595.db2.gz KSZQAZXCZAHBPB-UHFFFAOYSA-N -1 1 221.256 1.376 50 10 BDCAMM O=C(c1ccc(O)cc1)c1ccc(O)c(O)c1[O-] ZINC000000507420 342689127 /nfs/dbraw/zinc/68/91/27/342689127.db2.gz ZRDYULMDEGRWRC-UHFFFAOYSA-N -1 1 246.218 1.740 50 10 BDCAMM Cc1c(C)c2ccc([O-])c(O)c2oc1=O ZINC000000615056 342691079 /nfs/dbraw/zinc/69/10/79/342691079.db2.gz LJVMXVODLKJAIN-UHFFFAOYSA-N -1 1 206.197 1.821 50 10 biogenic BDCAMM CCN(CC)N=Nc1[n-]cnc1[N+](=O)[O-] ZINC000008169723 350128223 /nfs/dbraw/zinc/12/82/23/350128223.db2.gz NCDIUSQDEWJYNR-ZHACJKMWSA-N -1 1 212.213 1.658 50 10 BDCAMM O=C1[N-]C(=S)S/C1=C/c1cccc(O)c1 ZINC000012407281 187414737 /nfs/dbraw/zinc/41/47/37/187414737.db2.gz ZCQNEHSJTBPNPT-VMPITWQZSA-N -1 1 237.305 1.881 50 10 BDCAMM CN1C(=O)C(=Cc2ccc[nH]2)C(=O)[N-]C1=S ZINC000018102677 369416097 /nfs/dbraw/zinc/41/60/97/369416097.db2.gz VUPNDFVRTODVFC-ALCCZGGFSA-N -1 1 235.268 1.112 50 10 BDCAMM CN(C)c1ccc(/C=C2\NC(=S)[N-]C2=O)cc1 ZINC000001649772 383914943 /nfs/dbraw/zinc/91/49/43/383914943.db2.gz JDEZMVXJIDKERE-YFHOEESVSA-N -1 1 247.323 1.098 50 10 BDCAMM O=C1[N-]C(=S)S/C1=C/c1ccco1 ZINC000006333878 384151785 /nfs/dbraw/zinc/15/17/85/384151785.db2.gz ISSUVJNRFWFRIV-GQCTYLIASA-N -1 1 211.267 1.768 50 10 BDCAMM CN1C=CC=CC1=C1SC(=S)[N-]C1=O ZINC000100269068 384178826 /nfs/dbraw/zinc/17/88/26/384178826.db2.gz BKUSMEWHMSYCBV-VOTSOKGWSA-N -1 1 224.310 1.361 50 10 BDCAMM Cc1ccc(/C=C2/C(=O)[N-]C(=S)NC2=O)cc1 ZINC000001839112 178355683 /nfs/dbraw/zinc/35/56/83/178355683.db2.gz DDSUYICEGYMNQH-UHFFFAOYSA-N -1 1 246.291 1.750 50 10 BDCAMM Cc1ccc(/C=C2\C(=O)[N-]C(=S)NC2=O)cc1 ZINC000001839112 178355688 /nfs/dbraw/zinc/35/56/88/178355688.db2.gz DDSUYICEGYMNQH-UHFFFAOYSA-N -1 1 246.291 1.750 50 10 BDCAMM Cc1ccc(C=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000001839112 178355691 /nfs/dbraw/zinc/35/56/91/178355691.db2.gz DDSUYICEGYMNQH-UHFFFAOYSA-N -1 1 246.291 1.750 50 10 BDCAMM Cc1cccc(C=C2SC(=S)[N-]C2=O)n1 ZINC000017163030 179002958 /nfs/dbraw/zinc/00/29/58/179002958.db2.gz LJEKFSNEORVEQW-VMPITWQZSA-N -1 1 236.321 1.879 50 10 BDCAMM O=C1[N-]C(=S)S/C1=C\c1ccncc1 ZINC000001234199 352651913 /nfs/dbraw/zinc/65/19/13/352651913.db2.gz KNTSNHQKRQFSSZ-ALCCZGGFSA-N -1 1 222.294 1.570 50 10 BDCAMM O=C1[N-]C(=O)C(=Cc2ccc(O)c(O)c2)S1 ZINC000002566854 188335453 /nfs/dbraw/zinc/33/54/53/188335453.db2.gz MYQOFENGCCDZOW-XBXARRHUSA-N -1 1 237.236 1.422 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccccc1 ZINC000015777334 384441787 /nfs/dbraw/zinc/44/17/87/384441787.db2.gz TXGVDOCEVWJSPR-UHFFFAOYSA-N -1 1 232.264 1.441 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccccc1 ZINC000015777334 384441789 /nfs/dbraw/zinc/44/17/89/384441789.db2.gz TXGVDOCEVWJSPR-UHFFFAOYSA-N -1 1 232.264 1.441 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccccc1 ZINC000015777334 384441792 /nfs/dbraw/zinc/44/17/92/384441792.db2.gz TXGVDOCEVWJSPR-UHFFFAOYSA-N -1 1 232.264 1.441 50 10 BDCAMM CN1C[C@@H](O)c2cc(N=NC(N)=O)c([O-])cc21 ZINC000367895576 173188191 /nfs/dbraw/zinc/18/81/91/173188191.db2.gz SSCSSDNTQJGTJT-SECBINFHSA-N -1 1 236.231 1.038 50 10 BDCAMM O=C1[N-]C(=S)SC1=Cc1ccc[nH]1 ZINC000002573481 342787482 /nfs/dbraw/zinc/78/74/82/342787482.db2.gz RRJVVJRJMYKPGH-XQRVVYSFSA-N -1 1 210.283 1.915 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/C=Cc1ccco1 ZINC000018081244 342931413 /nfs/dbraw/zinc/93/14/13/342931413.db2.gz FZPZMDRQJKKBQQ-HNQUOIGGSA-N -1 1 248.263 1.590 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\C=Cc1ccco1 ZINC000018081244 342931415 /nfs/dbraw/zinc/93/14/15/342931415.db2.gz FZPZMDRQJKKBQQ-HNQUOIGGSA-N -1 1 248.263 1.590 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)C1=CC=Cc1ccco1 ZINC000018081244 342931416 /nfs/dbraw/zinc/93/14/16/342931416.db2.gz FZPZMDRQJKKBQQ-HNQUOIGGSA-N -1 1 248.263 1.590 50 10 BDCAMM Cc1cccc(C=C2SC(=S)[N-]C2=O)n1 ZINC000001601113 179002767 /nfs/dbraw/zinc/00/27/67/179002767.db2.gz LJEKFSNEORVEQW-YVMONPNESA-N -1 1 236.321 1.879 50 10 BDCAMM O=C1[N-]C(=S)SC1=CNc1ccccn1 ZINC000100329017 188334709 /nfs/dbraw/zinc/33/47/09/188334709.db2.gz SYHJUQDILCTAGE-AATRIKPKSA-N -1 1 237.309 1.483 50 10 BDCAMM CCC1=C([O-])C(=O)[C@H](c2ccccc2)C1=O ZINC000214074437 385802835 /nfs/dbraw/zinc/80/28/35/385802835.db2.gz FHYCHIZDPDPUCA-NXEZZACHSA-N -1 1 216.236 1.517 50 10 BDCAMM CCC1=C([O-])C(=O)[C@@H](c2ccccc2)C1=O ZINC000214074386 349597822 /nfs/dbraw/zinc/59/78/22/349597822.db2.gz FHYCHIZDPDPUCA-UWVGGRQHSA-N -1 1 216.236 1.517 50 10 BDCAMM Cn1cccc1C=C1SC(=S)[N-]C1=O ZINC000012403082 342851614 /nfs/dbraw/zinc/85/16/14/342851614.db2.gz XGKKCKXHCWLNFT-ALCCZGGFSA-N -1 1 224.310 1.925 50 10 BDCAMM O=C1c2ccccc2C(=O)c2c(O)c([O-])ccc21 ZINC000003860973 384030980 /nfs/dbraw/zinc/03/09/80/384030980.db2.gz RGCKGOZRHPZPFP-UHFFFAOYSA-N -1 1 240.214 1.873 50 10 biogenic,in-vitro BDCAMM O=C1[N-]C(=S)S/C1=C\c1cccnc1 ZINC000000977255 342695373 /nfs/dbraw/zinc/69/53/73/342695373.db2.gz WCMBSDRTRVIVGG-DAXSKMNVSA-N -1 1 222.294 1.570 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1ccc(O)cc1 ZINC000004551021 342749152 /nfs/dbraw/zinc/74/91/52/342749152.db2.gz DLIHQVDPAHPETM-UHFFFAOYSA-N -1 1 248.263 1.147 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1ccc(O)cc1 ZINC000004551021 342749154 /nfs/dbraw/zinc/74/91/54/342749154.db2.gz DLIHQVDPAHPETM-UHFFFAOYSA-N -1 1 248.263 1.147 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1ccc(O)cc1 ZINC000004551021 342749156 /nfs/dbraw/zinc/74/91/56/342749156.db2.gz DLIHQVDPAHPETM-UHFFFAOYSA-N -1 1 248.263 1.147 50 10 BDCAMM O=C([N-]CCc1ccc(O)c(O)c1)C(F)(F)F ZINC000003199443 182203184 /nfs/dbraw/zinc/20/31/84/182203184.db2.gz JJYLBMVSKRNRPC-UHFFFAOYSA-N -1 1 249.188 1.319 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C/c1cccc(O)c1 ZINC000001267943 386151934 /nfs/dbraw/zinc/15/19/34/386151934.db2.gz QRIIWMGAKUQMPQ-UHFFFAOYSA-N -1 1 248.263 1.147 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)/C1=C\c1cccc(O)c1 ZINC000001267943 386151940 /nfs/dbraw/zinc/15/19/40/386151940.db2.gz QRIIWMGAKUQMPQ-UHFFFAOYSA-N -1 1 248.263 1.147 50 10 BDCAMM O=C1[N-]C(=S)NC(=O)C1=Cc1cccc(O)c1 ZINC000001267943 386151942 /nfs/dbraw/zinc/15/19/42/386151942.db2.gz QRIIWMGAKUQMPQ-UHFFFAOYSA-N -1 1 248.263 1.147 50 10 BDCAMM Cc1c(C)c2cc(O)c([O-])cc2oc1=O ZINC000008764843 342804648 /nfs/dbraw/zinc/80/46/48/342804648.db2.gz PXTMNPOEAJPRQE-UHFFFAOYSA-N -1 1 206.197 1.821 50 10 biogenic BDCAMM Nc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000001001022 343270227 /nfs/dbraw/zinc/27/02/27/343270227.db2.gz JZCFZLIAXVFDMF-VMPITWQZSA-N -1 1 236.321 1.758 50 10 BDCAMM O=[N+]([O-])/C=C/c1cc(O)c([O-])cc1[N+](=O)[O-] ZINC000036439264 356367957 /nfs/dbraw/zinc/36/79/57/356367957.db2.gz CRZSVYVRNQBKHH-OWOJBTEDSA-N -1 1 226.144 1.253 50 10 BDCAMM O=Cc1ccc(C=C2SC(=S)[N-]C2=O)cc1 ZINC000001639598 388573017 /nfs/dbraw/zinc/57/30/17/388573017.db2.gz QSCTZTIMXSIZQE-WEVVVXLNSA-N -1 1 249.316 1.988 50 10 BDCAMM Cc1cc(/C=C2/C(=O)[N-]C(=S)NC2=O)c(C)[nH]1 ZINC000009087059 342807879 /nfs/dbraw/zinc/80/78/79/342807879.db2.gz INLXBMRDPHDEQM-UHFFFAOYSA-N -1 1 249.295 1.386 50 10 BDCAMM Cc1cc(/C=C2\C(=O)[N-]C(=S)NC2=O)c(C)[nH]1 ZINC000009087059 342807880 /nfs/dbraw/zinc/80/78/80/342807880.db2.gz INLXBMRDPHDEQM-UHFFFAOYSA-N -1 1 249.295 1.386 50 10 BDCAMM Cc1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(C)[nH]1 ZINC000009087059 342807881 /nfs/dbraw/zinc/80/78/81/342807881.db2.gz INLXBMRDPHDEQM-UHFFFAOYSA-N -1 1 249.295 1.386 50 10 BDCAMM O=C1c2ccc(O)cc2C(=O)c2ccc([O-])cc21 ZINC000003860201 384031960 /nfs/dbraw/zinc/03/19/60/384031960.db2.gz APAJFZPFBHMFQR-UHFFFAOYSA-N -1 1 240.214 1.873 50 10 biogenic,in-vitro BDCAMM O=C1[N-]C(=S)S/C1=C\c1ccccc1O ZINC000001084626 342697248 /nfs/dbraw/zinc/69/72/48/342697248.db2.gz ZROKEZLWNZKNSJ-YVMONPNESA-N -1 1 237.305 1.881 50 10 BDCAMM O=C(CSCCO)c1ccc([O-])c(O)c1 ZINC000034990099 182009636 /nfs/dbraw/zinc/00/96/36/182009636.db2.gz NJOASODRLMPDSX-UHFFFAOYSA-N -1 1 228.269 1.006 50 10 BDCAMM CCc1ccc(N2[N-]C(=O)C(=C(C)C)C2=O)cc1 ZINC000000053730 384457396 /nfs/dbraw/zinc/45/73/96/384457396.db2.gz PRDMJQMOQXWTAP-UHFFFAOYSA-N -1 1 244.294 1.963 50 10 BDCAMM O=C1[N-]C(=S)S/C1=C/c1ccccn1 ZINC000001033063 342696236 /nfs/dbraw/zinc/69/62/36/342696236.db2.gz QUNOTGGCROUUQP-FNORWQNLSA-N -1 1 222.294 1.570 50 10 BDCAMM O=c1oc2c(O)c([O-])ccc2c2c1CCC2 ZINC000002956058 342728920 /nfs/dbraw/zinc/72/89/20/342728920.db2.gz DFXAPFLDYOBSDI-UHFFFAOYSA-N -1 1 218.208 1.693 50 10 biogenic BDCAMM CC(C)=C1C(=O)[N-]N(c2ccc(C)cc2)C1=O ZINC000003158421 344516569 /nfs/dbraw/zinc/51/65/69/344516569.db2.gz OGHMHLPNFMBERF-UHFFFAOYSA-N -1 1 230.267 1.709 50 10 BDCAMM Cc1nn(C)cc1C=C1SC(=S)[N-]C1=O ZINC000002573446 180366075 /nfs/dbraw/zinc/36/60/75/180366075.db2.gz ULVTXBTWQJOCEQ-CLTKARDFSA-N -1 1 239.325 1.629 50 10 BDCAMM O=C1[N-]C(=S)S/C1=C\c1ccoc1 ZINC000001804847 357336218 /nfs/dbraw/zinc/33/62/18/357336218.db2.gz BOLSPCFXBKVASD-UTCJRWHESA-N -1 1 211.267 1.768 50 10 BDCAMM CCOC(=O)[N-]C(=O)c1ccsc1N ZINC000100969121 170241057 /nfs/dbraw/zinc/24/10/57/170241057.db2.gz MTQFKEBUNBNDNU-UHFFFAOYSA-N -1 1 214.246 1.217 50 10 BDCAMM CCC1=C([O-])C(=O)[C@@H](c2ccccc2)C1=O ZINC000214074331 385801934 /nfs/dbraw/zinc/80/19/34/385801934.db2.gz FHYCHIZDPDPUCA-ZJUUUORDSA-N -1 1 216.236 1.517 50 10 BDCAMM CN1C[C@H](O)c2cc(N=NC(N)=O)c([O-])cc21 ZINC000367895584 173196117 /nfs/dbraw/zinc/19/61/17/173196117.db2.gz SSCSSDNTQJGTJT-VIFPVBQESA-N -1 1 236.231 1.038 50 10 BDCAMM CCC1=C([O-])C(=O)[C@H](c2ccccc2)C1=O ZINC000214074498 349597511 /nfs/dbraw/zinc/59/75/11/349597511.db2.gz FHYCHIZDPDPUCA-VHSXEESVSA-N -1 1 216.236 1.517 50 10 BDCAMM CCc1cc(=O)oc2cc([O-])c(O)cc12 ZINC000008764858 342804708 /nfs/dbraw/zinc/80/47/08/342804708.db2.gz ISESONVYWLLDIF-UHFFFAOYSA-N -1 1 206.197 1.767 50 10 biogenic BDCAMM CC(C)=C1C(=O)[N-]N(c2ccccc2)C1=O ZINC000000173035 383839060 /nfs/dbraw/zinc/83/90/60/383839060.db2.gz IABIGQQVLSFCDO-UHFFFAOYSA-N -1 1 216.240 1.401 50 10 BDCAMM O=c1[nH][n-]cc1C=Nc1ccc(F)cc1F ZINC000003210196 388368082 /nfs/dbraw/zinc/36/80/82/388368082.db2.gz QUNUPXXPZCSPTD-GQCTYLIASA-N -1 1 223.182 1.376 50 10 BDCAMM O=C1[N-]C(=S)S/C1=C\c1ccco1 ZINC000001083116 342697228 /nfs/dbraw/zinc/69/72/28/342697228.db2.gz ISSUVJNRFWFRIV-XQRVVYSFSA-N -1 1 211.267 1.768 50 10 BDCAMM Cn1cccc1C=C1C(=O)[N-]C(=S)N(C)C1=O ZINC000017180714 342922017 /nfs/dbraw/zinc/92/20/17/342922017.db2.gz LVRDAPHQBXCBSJ-VURMDHGXSA-N -1 1 249.295 1.122 50 10 BDCAMM Cc1c(C=C2SC(=S)[N-]C2=O)cnn1C ZINC000002573448 346219546 /nfs/dbraw/zinc/21/95/46/346219546.db2.gz BIBQUTKJONFZJP-CLTKARDFSA-N -1 1 239.325 1.629 50 10 BDCAMM