smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1csc(C2([N@@H+]3CC=CCC3)CCCCC2)c1 ZINC000000004184 368474414 /nfs/dbraw/zinc/47/44/14/368474414.db2.gz NDTNWLZCHFUWIS-UHFFFAOYSA-N 1 1 247.407 4.169 10 0 BIAEMO Cc1ccccc1CNc1[nH+]ccc2ccccc21 ZINC000000013165 179285552 /nfs/dbraw/zinc/28/55/52/179285552.db2.gz QBXRGTFBHXSOGC-UHFFFAOYSA-N 1 1 248.329 4.155 10 0 BIAEMO C[C@H](Nc1[nH+]ccc2ccccc21)c1ccccc1 ZINC000000013169 368475942 /nfs/dbraw/zinc/47/59/42/368475942.db2.gz FNOOJFVSODXSTH-ZDUSSCGKSA-N 1 1 248.329 4.408 10 0 BIAEMO CC[N@H+]1[C@@H](c2c[nH]c3ccccc23)CCC1(C)C ZINC000002016826 362381476 /nfs/dbraw/zinc/38/14/76/362381476.db2.gz XAQRHUZUBSOOSY-OAHLLOKOSA-N 1 1 242.366 4.103 10 0 BIAEMO CC[N@H+]1[C@H](c2c[nH]c3ccccc23)CCC1(C)C ZINC000002016828 362381504 /nfs/dbraw/zinc/38/15/04/362381504.db2.gz XAQRHUZUBSOOSY-HNNXBMFYSA-N 1 1 242.366 4.103 10 0 BIAEMO c1ccc(C2([N@@H+]3CC=CCC3)CCCCC2)cc1 ZINC000003799433 188269271 /nfs/dbraw/zinc/26/92/71/188269271.db2.gz LAGQRENRTSANDN-UHFFFAOYSA-N 1 1 241.378 4.108 10 0 BIAEMO C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1C(C)(C)C ZINC000005369898 187247842 /nfs/dbraw/zinc/24/78/42/187247842.db2.gz XKGJBOLHPKPIOO-UKRRQHHQSA-N 1 1 231.383 4.053 10 0 BIAEMO C[C@H]1C[C@@H](c2ccccc2)CC[N@H+]1C(C)(C)C ZINC000005377004 177338323 /nfs/dbraw/zinc/33/83/23/177338323.db2.gz XKGJBOLHPKPIOO-ZFWWWQNUSA-N 1 1 231.383 4.053 10 0 BIAEMO CCC[C@H]1[C@@H](C)CCC[N@H+]1Cc1ccccc1 ZINC000005794100 169541292 /nfs/dbraw/zinc/54/12/92/169541292.db2.gz JTIIIEDXFXGPQZ-HOCLYGCPSA-N 1 1 231.383 4.087 10 0 BIAEMO C[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C(C)(C)C ZINC000005919856 176102265 /nfs/dbraw/zinc/10/22/65/176102265.db2.gz ZIWDIECIMIOWGM-ZBFHGGJFSA-N 1 1 245.410 4.333 10 0 BIAEMO C[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C(C)(C)C ZINC000005920747 177101906 /nfs/dbraw/zinc/10/19/06/177101906.db2.gz ZIWDIECIMIOWGM-HOCLYGCPSA-N 1 1 245.410 4.333 10 0 BIAEMO C[N@@H+]1CC=C(c2ccc(-c3ccccc3)cc2)CC1 ZINC000013604476 343096375 /nfs/dbraw/zinc/09/63/75/343096375.db2.gz JCXIFIULUUEWAX-UHFFFAOYSA-N 1 1 249.357 4.073 10 0 BIAEMO CCCc1cccc([C@@H]2CCC[N@H+](CCC)C2)c1 ZINC000013738273 343101900 /nfs/dbraw/zinc/10/19/00/343101900.db2.gz SXCBTZZPBYWDRW-QGZVFWFLSA-N 1 1 245.410 4.229 10 0 BIAEMO CCC[C@@H]1[C@H]2CC[C@@H](C[C@@H]1c1ccccc1)[N@H+]2C ZINC000013742498 343102835 /nfs/dbraw/zinc/10/28/35/343102835.db2.gz ZWPCJQABQGIZIQ-MWDXBVQZSA-N 1 1 243.394 4.053 10 0 BIAEMO CCC[C@@H]1[C@H]2CC[C@@H](C[C@H]1c1ccccc1)[N@H+]2C ZINC000013782185 343103595 /nfs/dbraw/zinc/10/35/95/343103595.db2.gz ZWPCJQABQGIZIQ-LUKYLMHMSA-N 1 1 243.394 4.053 10 0 BIAEMO C[N@@H+]1CC=C(/C=C\c2cccc3ccccc23)CC1 ZINC000016976875 343390555 /nfs/dbraw/zinc/39/05/55/343390555.db2.gz BPVAGRSEOWNGCE-KTKRTIGZSA-N 1 1 249.357 4.115 10 0 BIAEMO CCCCCNc1cc[nH+]c2cc(Cl)ccc12 ZINC000019992476 343139827 /nfs/dbraw/zinc/13/98/27/343139827.db2.gz UEWFGTQFNDQROK-UHFFFAOYSA-N 1 1 248.757 4.490 10 0 BIAEMO CSc1ccccc1[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000026722587 344180882 /nfs/dbraw/zinc/18/08/82/344180882.db2.gz WVKRCRZAIOYBQP-TZMCWYRMSA-N 1 1 247.407 4.098 10 0 BIAEMO CCCc1ccc([C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC000026727993 344182976 /nfs/dbraw/zinc/18/29/76/344182976.db2.gz GUXZLMJGWRSRDU-IAGOWNOFSA-N 1 1 243.394 4.329 10 0 BIAEMO Clc1ccccc1[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC000026730603 344183052 /nfs/dbraw/zinc/18/30/52/344183052.db2.gz FCDJIMAQDKBYMB-BXUZGUMPSA-N 1 1 235.758 4.029 10 0 BIAEMO CC1(C)CCC[N@H+]1CC12CC3CC(CC(C3)C1)C2 ZINC000026991807 344208649 /nfs/dbraw/zinc/20/86/49/344208649.db2.gz ARJSFIZQOAKTIG-UHFFFAOYSA-N 1 1 247.426 4.077 10 0 BIAEMO CC(C)=CC[N@H+]1CCC[C@H]2C[C@@H]1c1ccccc12 ZINC000027523372 188110574 /nfs/dbraw/zinc/11/05/74/188110574.db2.gz ZJYDZVFRQQXIHX-WMLDXEAASA-N 1 1 241.378 4.277 10 0 BIAEMO CC[C@@H]1CC[N@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645479 171027212 /nfs/dbraw/zinc/02/72/12/171027212.db2.gz DMPGKIZUXVPBRQ-DJIMGWMZSA-N 1 1 243.394 4.055 10 0 BIAEMO CC[C@H]1CC[N@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645492 344380507 /nfs/dbraw/zinc/38/05/07/344380507.db2.gz DMPGKIZUXVPBRQ-USXIJHARSA-N 1 1 243.394 4.055 10 0 BIAEMO CSc1ccccc1[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC000034103269 345817298 /nfs/dbraw/zinc/81/72/98/345817298.db2.gz WVKRCRZAIOYBQP-GXTWGEPZSA-N 1 1 247.407 4.098 10 0 BIAEMO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(C)oc2C)o1 ZINC000036960618 387557490 /nfs/dbraw/zinc/55/74/90/387557490.db2.gz NBFHSXDRVLYSBR-NWDGAFQWSA-N 1 1 247.338 4.210 10 0 BIAEMO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(C)oc2C)o1 ZINC000036960621 387557885 /nfs/dbraw/zinc/55/78/85/387557885.db2.gz NBFHSXDRVLYSBR-RYUDHWBXSA-N 1 1 247.338 4.210 10 0 BIAEMO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(C)oc2C)o1 ZINC000036960623 387558556 /nfs/dbraw/zinc/55/85/56/387558556.db2.gz NBFHSXDRVLYSBR-VXGBXAGGSA-N 1 1 247.338 4.210 10 0 BIAEMO Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(C)oc2C)o1 ZINC000036960625 387557346 /nfs/dbraw/zinc/55/73/46/387557346.db2.gz NBFHSXDRVLYSBR-NEPJUHHUSA-N 1 1 247.338 4.210 10 0 BIAEMO CCOC(=[NH2+])Cc1c(C)cc(C(C)(C)C)cc1C ZINC000037927996 170179933 /nfs/dbraw/zinc/17/99/33/170179933.db2.gz ZIWJBERLYLPXRB-UHFFFAOYSA-N 1 1 247.382 4.157 10 0 BIAEMO CCc1ccc([C@@H](C)Nc2cccc(C)[nH+]2)cc1 ZINC000038012765 411146713 /nfs/dbraw/zinc/14/67/13/411146713.db2.gz JGAAFXXZMBIUMO-CYBMUJFWSA-N 1 1 240.350 4.126 10 0 BIAEMO CCc1ccc([C@H](C)Nc2cccc(C)[nH+]2)cc1 ZINC000038012766 411146760 /nfs/dbraw/zinc/14/67/60/411146760.db2.gz JGAAFXXZMBIUMO-ZDUSSCGKSA-N 1 1 240.350 4.126 10 0 BIAEMO Cc1cccc(N[C@@H](C)c2cccc(Cl)c2)[nH+]1 ZINC000038093153 179152740 /nfs/dbraw/zinc/15/27/40/179152740.db2.gz NNHSTUPYRFGCAD-NSHDSACASA-N 1 1 246.741 4.217 10 0 BIAEMO CN(c1ccccc1)c1cc[nH+]c2ccccc21 ZINC000038764468 368327528 /nfs/dbraw/zinc/32/75/28/368327528.db2.gz MUGHUEOCDUIYMP-UHFFFAOYSA-N 1 1 234.302 4.003 10 0 BIAEMO Cc1cccc2c(Nc3ccccc3)cc[nH+]c12 ZINC000041055135 179212614 /nfs/dbraw/zinc/21/26/14/179212614.db2.gz FQLGWGSEFXQVMH-UHFFFAOYSA-N 1 1 234.302 4.287 10 0 BIAEMO Cc1cccc(Nc2cc[nH+]c3ccccc23)c1 ZINC000041055543 179159352 /nfs/dbraw/zinc/15/93/52/179159352.db2.gz ANBORHHFCZAFSF-UHFFFAOYSA-N 1 1 234.302 4.287 10 0 BIAEMO CCCC[N@@H+]([C@@H](C)CC)[C@@H](C)c1cccc(N)c1 ZINC000042600795 168822420 /nfs/dbraw/zinc/82/24/20/168822420.db2.gz QTDULOBASPFXCS-KBPBESRZSA-N 1 1 248.414 4.230 10 0 BIAEMO Cc1cc([C@@H](C)Nc2ccc(C)c[nH+]2)c(C)s1 ZINC000049509507 178776675 /nfs/dbraw/zinc/77/66/75/178776675.db2.gz QBDUIPFFLUNHHR-LLVKDONJSA-N 1 1 246.379 4.241 10 0 BIAEMO Cc1ccc(N[C@H](C)c2ccccc2Cl)[nH+]c1 ZINC000049509631 178776746 /nfs/dbraw/zinc/77/67/46/178776746.db2.gz HTSFAGPDHKMPOW-LLVKDONJSA-N 1 1 246.741 4.217 10 0 BIAEMO Cc1cccc(N[C@@H](C)c2ccc(Cl)cc2)[nH+]1 ZINC000049526168 179152770 /nfs/dbraw/zinc/15/27/70/179152770.db2.gz HOSLXNGCZXMQOZ-NSHDSACASA-N 1 1 246.741 4.217 10 0 BIAEMO Cc1cccc(N[C@H](C)c2ccc(Cl)cc2)[nH+]1 ZINC000049526169 179156521 /nfs/dbraw/zinc/15/65/21/179156521.db2.gz HOSLXNGCZXMQOZ-LLVKDONJSA-N 1 1 246.741 4.217 10 0 BIAEMO CC[C@H](Nc1cccc(C)[nH+]1)c1cccs1 ZINC000049531280 353167928 /nfs/dbraw/zinc/16/79/28/353167928.db2.gz UMACXPPKZBWPME-NSHDSACASA-N 1 1 232.352 4.015 10 0 BIAEMO CC[C@@H](Nc1cccc(C)[nH+]1)c1cccs1 ZINC000049531281 353168356 /nfs/dbraw/zinc/16/83/56/353168356.db2.gz UMACXPPKZBWPME-LLVKDONJSA-N 1 1 232.352 4.015 10 0 BIAEMO Cc1cccc(N[C@@H](c2cccs2)C(C)C)[nH+]1 ZINC000049558365 179155282 /nfs/dbraw/zinc/15/52/82/179155282.db2.gz DHXXXHINYNYHAQ-CQSZACIVSA-N 1 1 246.379 4.261 10 0 BIAEMO Cc1cccc(N[C@H](c2cccs2)C(C)C)[nH+]1 ZINC000049558366 179157024 /nfs/dbraw/zinc/15/70/24/179157024.db2.gz DHXXXHINYNYHAQ-AWEZNQCLSA-N 1 1 246.379 4.261 10 0 BIAEMO Cc1ccc[nH+]c1N[C@@H](c1cccs1)C(C)C ZINC000051041135 179394510 /nfs/dbraw/zinc/39/45/10/179394510.db2.gz VZKVHRHXULFWHD-CYBMUJFWSA-N 1 1 246.379 4.261 10 0 BIAEMO Cc1ccc[nH+]c1N[C@H](c1cccs1)C(C)C ZINC000051041136 179396219 /nfs/dbraw/zinc/39/62/19/179396219.db2.gz VZKVHRHXULFWHD-ZDUSSCGKSA-N 1 1 246.379 4.261 10 0 BIAEMO Cc1cc([NH2+]C2CCCCCCC2)ccc1N ZINC000057454374 178155384 /nfs/dbraw/zinc/15/53/84/178155384.db2.gz FZFXGGHGOIUKKA-UHFFFAOYSA-N 1 1 232.371 4.102 10 0 BIAEMO Cc1cc([NH2+][C@H](C)CCCC(C)C)ccc1N ZINC000058754297 178185625 /nfs/dbraw/zinc/18/56/25/178185625.db2.gz AAIZXJYKDFLJEH-CYBMUJFWSA-N 1 1 234.387 4.204 10 0 BIAEMO C[C@H](c1ccccc1)[N@H+]1CCCC2=CCCC[C@@H]21 ZINC000059152387 177038879 /nfs/dbraw/zinc/03/88/79/177038879.db2.gz XJBZSBNOHKEMCE-PBHICJAKSA-N 1 1 241.378 4.322 10 0 BIAEMO Cc1ccccc1[C@@H](C)Nc1cc[nH+]cc1Cl ZINC000094195507 179322560 /nfs/dbraw/zinc/32/25/60/179322560.db2.gz QAKVMKBXOGMSAX-LLVKDONJSA-N 1 1 246.741 4.217 10 0 BIAEMO Cc1ccccc1[C@H](C)Nc1cc[nH+]cc1Cl ZINC000094195508 179341086 /nfs/dbraw/zinc/34/10/86/179341086.db2.gz QAKVMKBXOGMSAX-NSHDSACASA-N 1 1 246.741 4.217 10 0 BIAEMO CC[C@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000094267013 386941144 /nfs/dbraw/zinc/94/11/44/386941144.db2.gz PVEQPDJXBDLMLL-ZDUSSCGKSA-N 1 1 246.741 4.298 10 0 BIAEMO CC[C@@H](Nc1cc[nH+]cc1Cl)c1ccccc1 ZINC000094267014 386941172 /nfs/dbraw/zinc/94/11/72/386941172.db2.gz PVEQPDJXBDLMLL-CYBMUJFWSA-N 1 1 246.741 4.298 10 0 BIAEMO Cc1cccc(N[C@H](C)c2ccc(C)c(F)c2)[nH+]1 ZINC000094957892 179156271 /nfs/dbraw/zinc/15/62/71/179156271.db2.gz MWYQAFBRKDFFDE-GFCCVEGCSA-N 1 1 244.313 4.011 10 0 BIAEMO Cc1cccc(N[C@@H](C)c2ccc(C)c(F)c2)[nH+]1 ZINC000094957893 179153755 /nfs/dbraw/zinc/15/37/55/179153755.db2.gz MWYQAFBRKDFFDE-LBPRGKRZSA-N 1 1 244.313 4.011 10 0 BIAEMO CC(C)c1cccc(C(C)C)c1Cc1[nH]cc[nH+]1 ZINC000095559906 384920662 /nfs/dbraw/zinc/92/06/62/384920662.db2.gz HGNWYBNUXYACPU-UHFFFAOYSA-N 1 1 242.366 4.247 10 0 BIAEMO CCC1=C[N@H+]([C@@H](C)c2ccccc2)CCC1 ZINC000100261160 384627759 /nfs/dbraw/zinc/62/77/59/384627759.db2.gz TVWUINQAPPNXQA-ZDUSSCGKSA-N 1 1 215.340 4.137 10 0 BIAEMO CCCNc1c(C)c(C)[nH+]c2c(F)ccc(C)c12 ZINC000104002965 169293966 /nfs/dbraw/zinc/29/39/66/169293966.db2.gz IEZYMTNKUCRCKM-UHFFFAOYSA-N 1 1 246.329 4.121 10 0 BIAEMO CCCc1cc(NC)c2cc(C)cc(Cl)c2[nH+]1 ZINC000104005560 169567220 /nfs/dbraw/zinc/56/72/20/169567220.db2.gz QAGVRQXUHCAVTI-UHFFFAOYSA-N 1 1 248.757 4.191 10 0 BIAEMO C[C@@H](c1[nH]cc[nH+]1)c1cccc(-c2ccccc2)c1 ZINC000114420514 368939071 /nfs/dbraw/zinc/93/90/71/368939071.db2.gz KESQTIKKDRZBDQ-CYBMUJFWSA-N 1 1 248.329 4.229 10 0 BIAEMO C[C@H](c1[nH]cc[nH+]1)c1cccc(-c2ccccc2)c1 ZINC000114420516 368938214 /nfs/dbraw/zinc/93/82/14/368938214.db2.gz KESQTIKKDRZBDQ-ZDUSSCGKSA-N 1 1 248.329 4.229 10 0 BIAEMO C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290123 323204185 /nfs/dbraw/zinc/20/41/85/323204185.db2.gz DRDSQSUJGAQLQJ-DZGCQCFKSA-N 1 1 241.334 4.178 10 0 BIAEMO C[C@H](c1ccccc1)[N@H+]1CCC[C@@H]1c1ccco1 ZINC000116290125 323204315 /nfs/dbraw/zinc/20/43/15/323204315.db2.gz DRDSQSUJGAQLQJ-UKRRQHHQSA-N 1 1 241.334 4.178 10 0 BIAEMO CC(C)[N@H+]1CCCCC[C@@H]1c1ccc(F)cc1 ZINC000141439675 372954012 /nfs/dbraw/zinc/95/40/12/372954012.db2.gz YIKWJVHMOGCYPR-OAHLLOKOSA-N 1 1 235.346 4.151 10 0 BIAEMO CC(C)[N@H+]1CCCCC[C@H]1c1ccc(F)cc1 ZINC000141439862 372953742 /nfs/dbraw/zinc/95/37/42/372953742.db2.gz YIKWJVHMOGCYPR-HNNXBMFYSA-N 1 1 235.346 4.151 10 0 BIAEMO CC(C)(C)[C@H]1c2ccccc2CC[N@H+]1C(C)(C)C ZINC000143185462 343118042 /nfs/dbraw/zinc/11/80/42/343118042.db2.gz BBDPUWAEYMWPSQ-OAHLLOKOSA-N 1 1 245.410 4.430 10 0 BIAEMO CC(C)(C)[C@@H]1c2ccccc2CC[N@H+]1C(C)(C)C ZINC000143185670 343118007 /nfs/dbraw/zinc/11/80/07/343118007.db2.gz BBDPUWAEYMWPSQ-HNNXBMFYSA-N 1 1 245.410 4.430 10 0 BIAEMO CCc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000158200372 326311182 /nfs/dbraw/zinc/31/11/82/326311182.db2.gz LKWCNCCVKLKYNK-NWDGAFQWSA-N 1 1 247.338 4.155 10 0 BIAEMO CCc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(C)o2)o1 ZINC000158200524 326311121 /nfs/dbraw/zinc/31/11/21/326311121.db2.gz LKWCNCCVKLKYNK-RYUDHWBXSA-N 1 1 247.338 4.155 10 0 BIAEMO CCc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000158200655 326311444 /nfs/dbraw/zinc/31/14/44/326311444.db2.gz LKWCNCCVKLKYNK-VXGBXAGGSA-N 1 1 247.338 4.155 10 0 BIAEMO CCc1ccc([C@H](C)[NH2+][C@H](C)c2ccc(C)o2)o1 ZINC000158200801 326311470 /nfs/dbraw/zinc/31/14/70/326311470.db2.gz LKWCNCCVKLKYNK-NEPJUHHUSA-N 1 1 247.338 4.155 10 0 BIAEMO CC(C)(C)[C@H]1CCCCC[N@H+]1C(C)(C)C ZINC000168275987 351364041 /nfs/dbraw/zinc/36/40/41/351364041.db2.gz USRYTDBBHFHEBW-GFCCVEGCSA-N 1 1 211.393 4.076 10 0 BIAEMO c1ccc([C@@H]2Cc3ccccc3[C@H]3CCC[N@H+]32)cc1 ZINC000196277805 343629909 /nfs/dbraw/zinc/62/99/09/343629909.db2.gz HBSZJIABQURJJL-MSOLQXFVSA-N 1 1 249.357 4.121 10 0 BIAEMO c1ccc([C@H]2Cc3ccccc3[C@H]3CCC[N@H+]32)cc1 ZINC000196277811 347866060 /nfs/dbraw/zinc/86/60/60/347866060.db2.gz HBSZJIABQURJJL-QZTJIDSGSA-N 1 1 249.357 4.121 10 0 BIAEMO CCCc1cccc([C@H]2CCC[N@H+](CCC)C2)c1 ZINC000220162207 344319084 /nfs/dbraw/zinc/31/90/84/344319084.db2.gz SXCBTZZPBYWDRW-KRWDZBQOSA-N 1 1 245.410 4.229 10 0 BIAEMO C[C@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246855104 388653913 /nfs/dbraw/zinc/65/39/13/388653913.db2.gz DRDSQSUJGAQLQJ-HIFRSBDPSA-N 1 1 241.334 4.178 10 0 BIAEMO C[C@@H](c1ccccc1)[N@H+]1CCC[C@H]1c1ccco1 ZINC000246855117 388653806 /nfs/dbraw/zinc/65/38/06/388653806.db2.gz DRDSQSUJGAQLQJ-ZFWWWQNUSA-N 1 1 241.334 4.178 10 0 BIAEMO CC[C@H](Nc1cc[nH+]c2ccsc21)C(C)C ZINC000310038427 529679871 /nfs/dbraw/zinc/67/98/71/529679871.db2.gz WBSLQEDTHXKILR-JTQLQIEISA-N 1 1 234.368 4.143 10 0 BIAEMO CC[C@@H](Nc1cc[nH+]c2ccsc21)C(C)C ZINC000310038428 529212068 /nfs/dbraw/zinc/21/20/68/529212068.db2.gz WBSLQEDTHXKILR-SNVBAGLBSA-N 1 1 234.368 4.143 10 0 BIAEMO CCCCCC[N@H+]1CCC2(C1)CCCCC2 ZINC000584624997 358293676 /nfs/dbraw/zinc/29/36/76/358293676.db2.gz YQVJBZXAMFZTIR-UHFFFAOYSA-N 1 1 223.404 4.223 10 0 BIAEMO C/C=C/c1cccc([C@@H]2CCC[N@H+](CCC)C2)c1 ZINC000584650975 358305570 /nfs/dbraw/zinc/30/55/70/358305570.db2.gz YXCKRYAAFHYDIW-OPQSBORISA-N 1 1 243.394 4.309 10 0 BIAEMO CCC1=C(CC)[C@H](Cc2ccccc2)[N@@H+](C)CC1 ZINC000584652137 358307159 /nfs/dbraw/zinc/30/71/59/358307159.db2.gz JTBWCZIBFHRSGF-KRWDZBQOSA-N 1 1 243.394 4.050 10 0 BIAEMO CCC1=C(CC)[C@@H](Cc2ccccc2)[N@@H+](C)CC1 ZINC000584652138 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