smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(-c2nnc(-c3ccccc3C)[nH]2)cc1 ZINC000000505453 178331294 /nfs/dbraw/zinc/33/12/94/178331294.db2.gz QHLGMHWLIPIGPX-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN Cc1ccc(-c2nc(-c3ccccc3C)n[nH]2)cc1 ZINC000000505453 178331293 /nfs/dbraw/zinc/33/12/93/178331293.db2.gz QHLGMHWLIPIGPX-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN Cc1ccc(-c2nnc(-c3ccc(C)cc3)[nH]2)cc1 ZINC000000505462 178331285 /nfs/dbraw/zinc/33/12/85/178331285.db2.gz KYDWGGXKJMOOSM-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN Cc1ccc(Nc2nc3ccccc3[nH]2)c(C)c1 ZINC000000513018 385351850 /nfs/dbraw/zinc/35/18/50/385351850.db2.gz PVAOHYOCKSMFDC-UHFFFAOYSA-N 0 1 237.306 3.923 10 0 BHAEMN CCCC(CCC)c1nc2cnccc2[nH]1 ZINC000002470268 538116784 /nfs/dbraw/zinc/11/67/84/538116784.db2.gz NZTLBFPSWOIWIT-UHFFFAOYSA-N 0 1 217.316 3.642 10 0 BHAEMN CCCC(CCC)c1nc2ccncc2[nH]1 ZINC000002470268 538116783 /nfs/dbraw/zinc/11/67/83/538116783.db2.gz NZTLBFPSWOIWIT-UHFFFAOYSA-N 0 1 217.316 3.642 10 0 BHAEMN CCCC[C@H](CC)[C@H]1OCCN1CCCC ZINC000003137674 169001450 /nfs/dbraw/zinc/00/14/50/169001450.db2.gz CYMHAQCMKNVHPA-UONOGXRCSA-N 0 1 227.392 3.661 10 0 BHAEMN CCN1Cc2ccccc2Cc2ccccc2C1 ZINC000003631253 358510373 /nfs/dbraw/zinc/51/03/73/358510373.db2.gz PKNLOWIVOIKFAP-UHFFFAOYSA-N 0 1 237.346 3.613 10 0 BHAEMN Cc1cc(C)c(-c2csc([C@@H](C)N)n2)c(C)c1 ZINC000003708726 385925129 /nfs/dbraw/zinc/92/51/29/385925129.db2.gz DQIYVCSGGSDUKL-LLVKDONJSA-N 0 1 246.379 3.755 10 0 BHAEMN CC(C)c1ccc(-c2csc([C@@H](C)N)n2)cc1 ZINC000003708728 350122684 /nfs/dbraw/zinc/12/26/84/350122684.db2.gz NELLUNSJRMSSEG-SNVBAGLBSA-N 0 1 246.379 3.953 10 0 BHAEMN Cc1cc(C)c(-c2csc([C@@H](C)N)n2)cc1C ZINC000003708740 177835384 /nfs/dbraw/zinc/83/53/84/177835384.db2.gz NVXFPPXKWKMCSH-LLVKDONJSA-N 0 1 246.379 3.755 10 0 BHAEMN CCCc1ccc(-c2csc([C@@H](C)N)n2)cc1 ZINC000003708744 356042447 /nfs/dbraw/zinc/04/24/47/356042447.db2.gz VMFOMGIGGBWGMC-SNVBAGLBSA-N 0 1 246.379 3.782 10 0 BHAEMN C[C@H](N)c1nc(-c2ccc(Cl)s2)cs1 ZINC000003709076 350844990 /nfs/dbraw/zinc/84/49/90/350844990.db2.gz YYAMSMQYXQWKHG-YFKPBYRVSA-N 0 1 244.772 3.545 10 0 BHAEMN C[C@@H](N)c1nc(-c2ccc(Cl)s2)cs1 ZINC000003709077 386702672 /nfs/dbraw/zinc/70/26/72/386702672.db2.gz YYAMSMQYXQWKHG-RXMQYKEDSA-N 0 1 244.772 3.545 10 0 BHAEMN CC(C)(C)c1ccc(-c2csc(CN)n2)cc1 ZINC000003709648 188101990 /nfs/dbraw/zinc/10/19/90/188101990.db2.gz JWGYIIDHNSSCKK-UHFFFAOYSA-N 0 1 246.379 3.566 10 0 BHAEMN c1[nH]nc2cc(NC3CCCCCC3)ccc12 ZINC000004210810 183374909 /nfs/dbraw/zinc/37/49/09/183374909.db2.gz FQVOTPQJHZEYQL-UHFFFAOYSA-N 0 1 229.327 3.698 10 0 BHAEMN CCCC[C@H](CC)[C@@H]1OCCN1CCCC ZINC000004977264 169001056 /nfs/dbraw/zinc/00/10/56/169001056.db2.gz CYMHAQCMKNVHPA-KBPBESRZSA-N 0 1 227.392 3.661 10 0 BHAEMN CCCC[C@H](CC)c1cnc(N)c(C)c1 ZINC000005309980 169001348 /nfs/dbraw/zinc/00/13/48/169001348.db2.gz LVPJXDFQRNKNRY-NSHDSACASA-N 0 1 206.333 3.656 10 0 BHAEMN Cc1cccc(-c2nc3ccc(Cl)cc3[nH]2)n1 ZINC000005425057 342763929 /nfs/dbraw/zinc/76/39/29/342763929.db2.gz DIFHNJNBZCBMEY-UHFFFAOYSA-N 0 1 243.697 3.587 10 0 BHAEMN C[N@H+]1CCC[C@@H]1c1c[nH]c2ccc(Cl)cc21 ZINC000005699378 369028457 /nfs/dbraw/zinc/02/84/57/369028457.db2.gz KSVBDCVNOLOLNW-CYBMUJFWSA-N 0 1 234.730 3.588 10 0 BHAEMN C[N@H+]1CCC[C@H]1c1c[nH]c2cccc(Cl)c21 ZINC000005699426 369028391 /nfs/dbraw/zinc/02/83/91/369028391.db2.gz ROUPHMNZHLBCGO-LBPRGKRZSA-N 0 1 234.730 3.588 10 0 BHAEMN Cc1ccccc1-c1nnc(-c2ccccc2C)[nH]1 ZINC000005748595 179236993 /nfs/dbraw/zinc/23/69/93/179236993.db2.gz CJJLZZUJURYVAA-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN CCc1ccccc1-c1nc(-c2ccccc2)n[nH]1 ZINC000005956811 398281149 /nfs/dbraw/zinc/28/11/49/398281149.db2.gz BQKLBSZNFCZZQE-UHFFFAOYSA-N 0 1 249.317 3.701 10 0 BHAEMN CCc1ccccc1-c1n[nH]c(-c2ccccc2)n1 ZINC000005956811 398281145 /nfs/dbraw/zinc/28/11/45/398281145.db2.gz BQKLBSZNFCZZQE-UHFFFAOYSA-N 0 1 249.317 3.701 10 0 BHAEMN Cc1ccc(-c2nnc(-c3ccccc3)[nH]2)c(C)c1 ZINC000006070608 178332050 /nfs/dbraw/zinc/33/20/50/178332050.db2.gz LXVXIEDVPDPIGJ-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN Cc1ccc(-c2nc(-c3ccccc3)n[nH]2)c(C)c1 ZINC000006070608 178332048 /nfs/dbraw/zinc/33/20/48/178332048.db2.gz LXVXIEDVPDPIGJ-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN Cc1ccc(C)c(-c2nc(-c3ccccc3)n[nH]2)c1 ZINC000006070714 398280979 /nfs/dbraw/zinc/28/09/79/398280979.db2.gz ARXYGSGAEPXPFF-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN Cc1ccc(C)c(-c2n[nH]c(-c3ccccc3)n2)c1 ZINC000006070714 398280977 /nfs/dbraw/zinc/28/09/77/398280977.db2.gz ARXYGSGAEPXPFF-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN Cc1cccc(-c2n[nH]c(-c3ccccc3C)n2)c1 ZINC000006071627 359663788 /nfs/dbraw/zinc/66/37/88/359663788.db2.gz IYAFRQXASXFWNX-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN Cc1cccc(-c2nc(-c3ccccc3C)n[nH]2)c1 ZINC000006071627 359663782 /nfs/dbraw/zinc/66/37/82/359663782.db2.gz IYAFRQXASXFWNX-UHFFFAOYSA-N 0 1 249.317 3.756 10 0 BHAEMN NCc1ccc(-c2cc(Cl)ccc2Cl)o1 ZINC000011730419 488033978 /nfs/dbraw/zinc/03/39/78/488033978.db2.gz ULJSELCRXALKAD-UHFFFAOYSA-N 0 1 242.105 3.712 10 0 BHAEMN Cc1ccccc1Nc1c(N)cnc2ccccc21 ZINC000013727202 179308277 /nfs/dbraw/zinc/30/82/77/179308277.db2.gz ZXWXHEVMFPNCFA-UHFFFAOYSA-N 0 1 249.317 3.869 10 0 BHAEMN c1ccc(-c2nc3c(cnc4ccccc34)[nH]2)cc1 ZINC000013756971 183383313 /nfs/dbraw/zinc/38/33/13/183383313.db2.gz ZGICTZVKFFYIEA-UHFFFAOYSA-N 0 1 245.285 3.778 10 0 in-vivo BHAEMN Cc1cccc2c1Cc1c-2nc2ccccc2c1N ZINC000013808521 179218284 /nfs/dbraw/zinc/21/82/84/179218284.db2.gz DKKGRNTXCNVFPV-UHFFFAOYSA-N 0 1 246.313 3.697 10 0 BHAEMN Cc1ccc2c(c1)-c1nc3ccccc3c(N)c1C2 ZINC000013808523 343104539 /nfs/dbraw/zinc/10/45/39/343104539.db2.gz ZVNZKFGWNIWFMC-UHFFFAOYSA-N 0 1 246.313 3.697 10 0 BHAEMN C[C@H]1CN(C)CCc2ccc(Cl)c(Cl)c21 ZINC000013978824 177233718 /nfs/dbraw/zinc/23/37/18/177233718.db2.gz APEKSNHUILZZDC-QMMMGPOBSA-N 0 1 244.165 3.585 10 0 BHAEMN CCCCC[C@@H](C)n1[nH]c(C(C)(C)C)cc1=O ZINC000015043198 342890947 /nfs/dbraw/zinc/89/09/47/342890947.db2.gz ZFAQZTVCHAAZPK-LLVKDONJSA-N 0 1 238.375 3.590 10 0 BHAEMN CCCCC[C@H](C)n1[nH]c(C(C)(C)C)cc1=O ZINC000015043202 342891074 /nfs/dbraw/zinc/89/10/74/342891074.db2.gz ZFAQZTVCHAAZPK-NSHDSACASA-N 0 1 238.375 3.590 10 0 BHAEMN CC(C)C[C@H]1c2[nH]c3ccccc3c2CCN1C ZINC000015062744 342891296 /nfs/dbraw/zinc/89/12/96/342891296.db2.gz JCZATRJEGXWCBH-HNNXBMFYSA-N 0 1 242.366 3.743 10 0 BHAEMN CC(C)C[C@@H]1c2[nH]c3ccccc3c2CCN1C ZINC000015062745 342891447 /nfs/dbraw/zinc/89/14/47/342891447.db2.gz JCZATRJEGXWCBH-OAHLLOKOSA-N 0 1 242.366 3.743 10 0 BHAEMN Cc1ccc(-c2ccc(S)cc2)cc1 ZINC000015441810 178325758 /nfs/dbraw/zinc/32/57/58/178325758.db2.gz IOOGUXDWDUHGAV-UHFFFAOYSA-N 0 1 200.306 3.951 10 0 BHAEMN N=C(SCc1ccccc1)c1ccccc1 ZINC000015771838 385344900 /nfs/dbraw/zinc/34/49/00/385344900.db2.gz VUSXWPVCSGRKMO-UHFFFAOYSA-N 0 1 227.332 3.945 10 0 BHAEMN CC1=C[C@@H](c2ccccc2)N=C(c2ccccc2)N1 ZINC000016887363 168125126 /nfs/dbraw/zinc/12/51/26/168125126.db2.gz OVCSIQFHOSJUDA-INIZCTEOSA-N 0 1 248.329 3.682 10 0 BHAEMN CC1=C[C@H](c2ccccc2)N=C(c2ccccc2)N1 ZINC000016887364 168132253 /nfs/dbraw/zinc/13/22/53/168132253.db2.gz OVCSIQFHOSJUDA-MRXNPFEDSA-N 0 1 248.329 3.682 10 0 BHAEMN CC(C)[C@@H](N)c1nc2cc(Cl)ccc2s1 ZINC000019815049 187314350 /nfs/dbraw/zinc/31/43/50/187314350.db2.gz PADFXEVRJYBANT-SNVBAGLBSA-N 0 1 240.759 3.606 10 0 BHAEMN COc1ccccc1CN[C@@H](C)c1cccs1 ZINC000019903185 175329776 /nfs/dbraw/zinc/32/97/76/175329776.db2.gz KXSKOMDQKZUANT-NSHDSACASA-N 0 1 247.363 3.608 10 0 BHAEMN COc1ccccc1CN[C@H](C)c1cccs1 ZINC000019903186 175331147 /nfs/dbraw/zinc/33/11/47/175331147.db2.gz KXSKOMDQKZUANT-LLVKDONJSA-N 0 1 247.363 3.608 10 0 BHAEMN Fc1ccccc1CN[C@H]1CCc2ccccc21 ZINC000019950064 181013592 /nfs/dbraw/zinc/01/35/92/181013592.db2.gz MUFLROIHDKLSKM-INIZCTEOSA-N 0 1 241.309 3.603 10 0 BHAEMN C[C@@H](NCc1ccccn1)c1ccc(Cl)cc1 ZINC000019957234 350915556 /nfs/dbraw/zinc/91/55/56/350915556.db2.gz HGQPUWMDHDPYEH-LLVKDONJSA-N 0 1 246.741 3.586 10 0 BHAEMN C[C@H](NCc1ccccn1)c1ccc(Cl)cc1 ZINC000019957238 385659717 /nfs/dbraw/zinc/65/97/17/385659717.db2.gz HGQPUWMDHDPYEH-NSHDSACASA-N 0 1 246.741 3.586 10 0 BHAEMN Cc1ccc([C@@H](C)NCc2ccccn2)c(C)c1 ZINC000019957648 398315516 /nfs/dbraw/zinc/31/55/16/398315516.db2.gz VWIPCCSXQZHMTJ-CQSZACIVSA-N 0 1 240.350 3.549 10 0 BHAEMN Cc1ccc([C@H](C)NCc2ccccn2)c(C)c1 ZINC000019957652 398315385 /nfs/dbraw/zinc/31/53/85/398315385.db2.gz VWIPCCSXQZHMTJ-AWEZNQCLSA-N 0 1 240.350 3.549 10 0 BHAEMN C[C@H](NCc1ccccn1)c1cccc(Cl)c1 ZINC000019957888 387065058 /nfs/dbraw/zinc/06/50/58/387065058.db2.gz XINBJFIWWHCAIO-NSHDSACASA-N 0 1 246.741 3.586 10 0 BHAEMN Cc1ccc([C@@H](C)NCc2ccccn2)cc1C ZINC000019957963 178844129 /nfs/dbraw/zinc/84/41/29/178844129.db2.gz LPBNTCUUAGQHHN-CQSZACIVSA-N 0 1 240.350 3.549 10 0 BHAEMN Cc1ccc([C@H](C)NCc2ccccn2)cc1C ZINC000019957967 538929768 /nfs/dbraw/zinc/92/97/68/538929768.db2.gz LPBNTCUUAGQHHN-AWEZNQCLSA-N 0 1 240.350 3.549 10 0 BHAEMN Cc1ccc(C)c([C@H](N)c2c(F)cccc2F)c1 ZINC000019971569 178502455 /nfs/dbraw/zinc/50/24/55/178502455.db2.gz AWSBORRMYGLYFK-HNNXBMFYSA-N 0 1 247.288 3.630 10 0 BHAEMN Cc1ccccc1[C@H](C)N[C@H](C)c1ccco1 ZINC000020126204 179339280 /nfs/dbraw/zinc/33/92/80/179339280.db2.gz AXHSXJFCUSWQPK-QWHCGFSZSA-N 0 1 229.323 4.000 10 0 BHAEMN Cc1ccccc1[C@H](C)N[C@@H](C)c1ccco1 ZINC000020126205 179339916 /nfs/dbraw/zinc/33/99/16/179339916.db2.gz AXHSXJFCUSWQPK-STQMWFEESA-N 0 1 229.323 4.000 10 0 BHAEMN C[C@@H](N[C@H]1CCc2ccccc21)c1ccco1 ZINC000020129790 342971106 /nfs/dbraw/zinc/97/11/06/342971106.db2.gz SCHFMSABGUFSMY-RISCZKNCSA-N 0 1 227.307 3.618 10 0 BHAEMN C[C@H](N[C@H]1CCc2ccccc21)c1ccco1 ZINC000020129791 342971102 /nfs/dbraw/zinc/97/11/02/342971102.db2.gz SCHFMSABGUFSMY-FZMZJTMJSA-N 0 1 227.307 3.618 10 0 BHAEMN Cc1ccc([C@@H](C)N[C@H]2CCc3ccccc32)o1 ZINC000020129806 384581873 /nfs/dbraw/zinc/58/18/73/384581873.db2.gz SCJRQWKJJQJTBI-DOMZBBRYSA-N 0 1 241.334 3.926 10 0 BHAEMN Cc1ccc([C@H](C)N[C@H]2CCc3ccccc32)o1 ZINC000020129807 384582173 /nfs/dbraw/zinc/58/21/73/384582173.db2.gz SCJRQWKJJQJTBI-WFASDCNBSA-N 0 1 241.334 3.926 10 0 BHAEMN C[C@@H](N[C@@H](C)c1cccs1)c1ccco1 ZINC000020148302 347412599 /nfs/dbraw/zinc/41/25/99/347412599.db2.gz HDGWUJQCPRVBGE-ZJUUUORDSA-N 0 1 221.325 3.753 10 0 BHAEMN C[C@H](N[C@@H](C)c1cccs1)c1ccco1 ZINC000020148303 385422270 /nfs/dbraw/zinc/42/22/70/385422270.db2.gz HDGWUJQCPRVBGE-UWVGGRQHSA-N 0 1 221.325 3.753 10 0 BHAEMN C[C@@H](N[C@H](C)c1cccs1)c1ccco1 ZINC000020148304 347413020 /nfs/dbraw/zinc/41/30/20/347413020.db2.gz HDGWUJQCPRVBGE-NXEZZACHSA-N 0 1 221.325 3.753 10 0 BHAEMN C[C@@H](N[C@@H](C)c1ccco1)c1cccs1 ZINC000020148305 347412695 /nfs/dbraw/zinc/41/26/95/347412695.db2.gz HDGWUJQCPRVBGE-VHSXEESVSA-N 0 1 221.325 3.753 10 0 BHAEMN Cc1cccc(-n2c(=S)[nH]nc2C(C)C)c1C ZINC000020303874 179000355 /nfs/dbraw/zinc/00/03/55/179000355.db2.gz XMVRQWFFNXUXDD-UHFFFAOYSA-N 0 1 247.367 3.670 10 0 BHAEMN CCC(=O)C=C(O)c1ccc(C(C)(C)C)cc1 ZINC000020375686 168197790 /nfs/dbraw/zinc/19/77/90/168197790.db2.gz IWFFQQWIXADYQT-UHFFFAOYSA-N 0 1 232.323 3.536 10 0 BHAEMN Cc1cccc2cc([C@@H](N)c3ccccc3)oc21 ZINC000020389173 179226749 /nfs/dbraw/zinc/22/67/49/179226749.db2.gz AUNSCJKVDMKASD-HNNXBMFYSA-N 0 1 237.302 3.789 10 0 BHAEMN Cc1cccc2cc([C@H](N)c3ccccc3)oc21 ZINC000020389179 179228669 /nfs/dbraw/zinc/22/86/69/179228669.db2.gz AUNSCJKVDMKASD-OAHLLOKOSA-N 0 1 237.302 3.789 10 0 BHAEMN Cc1ccc2cc([C@@H](N)c3ccccc3)oc2c1 ZINC000020389263 178969287 /nfs/dbraw/zinc/96/92/87/178969287.db2.gz LNCOKDIRBZDFRI-INIZCTEOSA-N 0 1 237.302 3.789 10 0 BHAEMN Cc1ccc2oc([C@@H](N)c3ccccc3)cc2c1 ZINC000020389351 188108836 /nfs/dbraw/zinc/10/88/36/188108836.db2.gz RTLYBMBBICPKKW-INIZCTEOSA-N 0 1 237.302 3.789 10 0 BHAEMN Cc1cc([C@H](C)N[C@H](C)c2ccncc2)c(C)o1 ZINC000020438594 178258397 /nfs/dbraw/zinc/25/83/97/178258397.db2.gz VIFPQQWSSCXBDF-NEPJUHHUSA-N 0 1 244.338 3.703 10 0 BHAEMN Cc1cc([C@H](C)N[C@@H](C)c2ccncc2)c(C)o1 ZINC000020438597 178253432 /nfs/dbraw/zinc/25/34/32/178253432.db2.gz VIFPQQWSSCXBDF-RYUDHWBXSA-N 0 1 244.338 3.703 10 0 BHAEMN Cc1cc([C@@H](C)N[C@H](C)c2ccncc2)c(C)o1 ZINC000020438600 178232985 /nfs/dbraw/zinc/23/29/85/178232985.db2.gz VIFPQQWSSCXBDF-VXGBXAGGSA-N 0 1 244.338 3.703 10 0 BHAEMN Cc1cc([C@@H](C)N[C@@H](C)c2ccncc2)c(C)o1 ZINC000020438603 178231426 /nfs/dbraw/zinc/23/14/26/178231426.db2.gz VIFPQQWSSCXBDF-NWDGAFQWSA-N 0 1 244.338 3.703 10 0 BHAEMN CCCC[C@H](CC)c1nc2cc(N)ccc2[nH]1 ZINC000020482763 169000678 /nfs/dbraw/zinc/00/06/78/169000678.db2.gz HWICIYNRYSGSMB-JTQLQIEISA-N 0 1 231.343 3.829 10 0 BHAEMN CCC(C)(C)OC[C@@H](N)c1cc2ccccc2o1 ZINC000020511740 168302711 /nfs/dbraw/zinc/30/27/11/168302711.db2.gz CRZLYTQJBXYUQT-GFCCVEGCSA-N 0 1 247.338 3.638 10 0 BHAEMN CCC(C)(C)OC[C@H](N)c1cc2ccccc2o1 ZINC000020511742 168304362 /nfs/dbraw/zinc/30/43/62/168304362.db2.gz CRZLYTQJBXYUQT-LBPRGKRZSA-N 0 1 247.338 3.638 10 0 BHAEMN Cc1cccc(C)c1-n1c(=S)[nH]nc1C(C)C ZINC000020590510 179029417 /nfs/dbraw/zinc/02/94/17/179029417.db2.gz NFHSTGPERBNFHJ-UHFFFAOYSA-N 0 1 247.367 3.670 10 0 BHAEMN Cc1ccccc1[C@@H](N)c1cc2ccccc2o1 ZINC000020592702 179324872 /nfs/dbraw/zinc/32/48/72/179324872.db2.gz VCIWEXWCIOPOOV-MRXNPFEDSA-N 0 1 237.302 3.789 10 0 BHAEMN Cc1ccccc1[C@H](N)c1cc2ccccc2o1 ZINC000020592703 179343660 /nfs/dbraw/zinc/34/36/60/179343660.db2.gz VCIWEXWCIOPOOV-INIZCTEOSA-N 0 1 237.302 3.789 10 0 BHAEMN CC(C)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 ZINC000022150446 167146479 /nfs/dbraw/zinc/14/64/79/167146479.db2.gz NKUXHWMJYFUUTJ-UHFFFAOYSA-N 0 1 231.343 3.681 10 0 BHAEMN CC(C)Nc1ccc2[nH]c(C(C)(C)C)nc2c1 ZINC000022150446 167146475 /nfs/dbraw/zinc/14/64/75/167146475.db2.gz NKUXHWMJYFUUTJ-UHFFFAOYSA-N 0 1 231.343 3.681 10 0 BHAEMN Cc1ccc2[nH]c(Nc3ccccc3)nc2c1 ZINC000026474241 353797430 /nfs/dbraw/zinc/79/74/30/353797430.db2.gz ZWFHVYLMPFPMKA-UHFFFAOYSA-N 0 1 223.279 3.615 10 0 BHAEMN Cc1ccc2[nH]c(Nc3ccccc3C)nc2c1 ZINC000026474249 357144508 /nfs/dbraw/zinc/14/45/08/357144508.db2.gz 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CTBHTPQCCMGLKI-UHFFFAOYSA-N 0 1 249.528 3.698 10 0 BHAEMN CC(C)c1ccc(-c2ccc(CN)o2)cc1 ZINC000036929575 361579721 /nfs/dbraw/zinc/57/97/21/361579721.db2.gz CBGYEHGDQGHGDU-UHFFFAOYSA-N 0 1 215.296 3.529 10 0 BHAEMN Cc1ccc([C@@H](C)N[C@@H](C)c2cccc(O)c2)o1 ZINC000036960386 383921915 /nfs/dbraw/zinc/92/19/15/383921915.db2.gz JQIGJMCDEQNUDI-NWDGAFQWSA-N 0 1 245.322 3.705 10 0 BHAEMN Cc1ccc([C@H](C)N[C@@H](C)c2cccc(O)c2)o1 ZINC000036960388 383923333 /nfs/dbraw/zinc/92/33/33/383923333.db2.gz JQIGJMCDEQNUDI-RYUDHWBXSA-N 0 1 245.322 3.705 10 0 BHAEMN Cc1ccc([C@@H](C)N[C@H](C)c2cccc(O)c2)o1 ZINC000036960390 383924682 /nfs/dbraw/zinc/92/46/82/383924682.db2.gz JQIGJMCDEQNUDI-VXGBXAGGSA-N 0 1 245.322 3.705 10 0 BHAEMN Cc1ccc([C@H](C)N[C@H](C)c2cccc(O)c2)o1 ZINC000036960392 178898801 /nfs/dbraw/zinc/89/88/01/178898801.db2.gz JQIGJMCDEQNUDI-NEPJUHHUSA-N 0 1 245.322 3.705 10 0 BHAEMN c1ccc2c(c1)Oc1ccccc1C2NC1CC1 ZINC000036961643 183454132 /nfs/dbraw/zinc/45/41/32/183454132.db2.gz LLWBOLVLRLGBEM-UHFFFAOYSA-N 0 1 237.302 3.634 10 0 BHAEMN CC1CCC(Nc2ccc3c[nH]nc3c2)CC1 ZINC000037134177 168165464 /nfs/dbraw/zinc/16/54/64/168165464.db2.gz UGFCMUYFWQRPRN-UHFFFAOYSA-N 0 1 229.327 3.554 10 0 BHAEMN Cc1nc2cc(NC3CCC(C)CC3)ccc2[nH]1 ZINC000037139682 180094436 /nfs/dbraw/zinc/09/44/36/180094436.db2.gz JEUNREANZAYMOB-UHFFFAOYSA-N 0 1 243.354 3.862 10 0 BHAEMN Cc1cccc([C@@H](C)N[C@@H](C)c2ccco2)c1 ZINC000037260330 179182184 /nfs/dbraw/zinc/18/21/84/179182184.db2.gz DBIHVHHLGYDPJC-OLZOCXBDSA-N 0 1 229.323 4.000 10 0 BHAEMN Cc1cccc([C@H](C)N[C@@H](C)c2ccco2)c1 ZINC000037260332 179197103 /nfs/dbraw/zinc/19/71/03/179197103.db2.gz DBIHVHHLGYDPJC-STQMWFEESA-N 0 1 229.323 4.000 10 0 BHAEMN Cc1cccc([C@@H](C)N[C@H](C)c2ccco2)c1 ZINC000037260334 179182278 /nfs/dbraw/zinc/18/22/78/179182278.db2.gz DBIHVHHLGYDPJC-CHWSQXEVSA-N 0 1 229.323 4.000 10 0 BHAEMN Cc1cccc([C@H](C)N[C@H](C)c2ccco2)c1 ZINC000037260336 179197416 /nfs/dbraw/zinc/19/74/16/179197416.db2.gz DBIHVHHLGYDPJC-QWHCGFSZSA-N 0 1 229.323 4.000 10 0 BHAEMN Nc1nc2ccccc2n1C1CCCCCC1 ZINC000037390411 181794362 /nfs/dbraw/zinc/79/43/62/181794362.db2.gz PWGNLDVVVBYNII-UHFFFAOYSA-N 0 1 229.327 3.514 10 0 BHAEMN CCCN(CC(=O)c1cc(C)ccc1C)C(C)C ZINC000037415032 169101396 /nfs/dbraw/zinc/10/13/96/169101396.db2.gz RTWDFRWLMIERNX-UHFFFAOYSA-N 0 1 247.382 3.607 10 0 BHAEMN CCC(CC)N(C)CC(=O)c1cc(C)ccc1C ZINC000037415197 168367778 /nfs/dbraw/zinc/36/77/78/168367778.db2.gz PEMZZXKWSXCUFZ-UHFFFAOYSA-N 0 1 247.382 3.607 10 0 BHAEMN CCC[C@@H](C)N(C)CC(=O)c1cc(C)ccc1C ZINC000037415211 169364206 /nfs/dbraw/zinc/36/42/06/169364206.db2.gz HYAGFVYIYLLWCW-CQSZACIVSA-N 0 1 247.382 3.607 10 0 BHAEMN CC(C)CC[C@@H](C)Nc1cccc2[nH]ncc21 ZINC000037783727 166893775 /nfs/dbraw/zinc/89/37/75/166893775.db2.gz JQRGHSKUDZCFRV-LLVKDONJSA-N 0 1 231.343 3.800 10 0 BHAEMN C[C@@H](Nc1cccc2[nH]ncc21)c1cccs1 ZINC000037783779 175933129 /nfs/dbraw/zinc/93/31/29/175933129.db2.gz GEJRYKBKOKBYAN-SECBINFHSA-N 0 1 243.335 3.798 10 0 BHAEMN CC1CCC(Nc2cccc3[nH]ncc32)CC1 ZINC000037783808 168165241 /nfs/dbraw/zinc/16/52/41/168165241.db2.gz LNRUUFAHESQBRW-UHFFFAOYSA-N 0 1 229.327 3.554 10 0 BHAEMN c1n[nH]c2cccc(NC3CCCCCC3)c12 ZINC000037783809 183357613 /nfs/dbraw/zinc/35/76/13/183357613.db2.gz FRFYEYZBXIVVOU-UHFFFAOYSA-N 0 1 229.327 3.698 10 0 BHAEMN C[C@@H]1CCCC[C@@H]1Nc1cccc2[nH]ncc21 ZINC000037783819 176081741 /nfs/dbraw/zinc/08/17/41/176081741.db2.gz YHNXSVPFWCDAMB-PWSUYJOCSA-N 0 1 229.327 3.554 10 0 BHAEMN C[C@H]1CCCC[C@@H]1Nc1cccc2[nH]ncc21 ZINC000037783820 177083504 /nfs/dbraw/zinc/08/35/04/177083504.db2.gz YHNXSVPFWCDAMB-JQWIXIFHSA-N 0 1 229.327 3.554 10 0 BHAEMN C[C@@H]1CCCC[C@H]1Nc1cccc2[nH]ncc21 ZINC000037783821 176089444 /nfs/dbraw/zinc/08/94/44/176089444.db2.gz YHNXSVPFWCDAMB-ZYHUDNBSSA-N 0 1 229.327 3.554 10 0 BHAEMN C[C@H]1CCCC[C@H]1Nc1cccc2[nH]ncc21 ZINC000037783822 177089676 /nfs/dbraw/zinc/08/96/76/177089676.db2.gz YHNXSVPFWCDAMB-CMPLNLGQSA-N 0 1 229.327 3.554 10 0 BHAEMN C[C@@H]1CCC[C@H](Nc2cccc3[nH]ncc32)C1 ZINC000037783823 176144962 /nfs/dbraw/zinc/14/49/62/176144962.db2.gz QLXPAPAYLCLUJE-MNOVXSKESA-N 0 1 229.327 3.554 10 0 BHAEMN C[C@H]1CCC[C@H](Nc2cccc3[nH]ncc32)C1 ZINC000037783824 177138158 /nfs/dbraw/zinc/13/81/58/177138158.db2.gz QLXPAPAYLCLUJE-QWRGUYRKSA-N 0 1 229.327 3.554 10 0 BHAEMN C[C@@H]1CCC[C@@H](Nc2cccc3[nH]ncc32)C1 ZINC000037783825 176123961 /nfs/dbraw/zinc/12/39/61/176123961.db2.gz QLXPAPAYLCLUJE-GHMZBOCLSA-N 0 1 229.327 3.554 10 0 BHAEMN C[C@@H]1CCC[C@H](C)C1Nc1cccc2[nH]ncc21 ZINC000037783827 177113559 /nfs/dbraw/zinc/11/35/59/177113559.db2.gz JJNFWZWMYYHHSQ-YWXMQNBFSA-N 0 1 243.354 3.800 10 0 BHAEMN C[C@H]1CCC[C@H](C)C1Nc1cccc2[nH]ncc21 ZINC000037783828 177129721 /nfs/dbraw/zinc/12/97/21/177129721.db2.gz JJNFWZWMYYHHSQ-QWRGUYRKSA-N 0 1 243.354 3.800 10 0 BHAEMN C[C@@H]1CCC[C@@H](C)C1Nc1cccc2[nH]ncc21 ZINC000037783829 176114863 /nfs/dbraw/zinc/11/48/63/176114863.db2.gz JJNFWZWMYYHHSQ-GHMZBOCLSA-N 0 1 243.354 3.800 10 0 BHAEMN c1n[nH]c2cccc(NCC3CCCCC3)c12 ZINC000037783845 183357695 /nfs/dbraw/zinc/35/76/95/183357695.db2.gz UDKXYTKUPKFZFD-UHFFFAOYSA-N 0 1 229.327 3.555 10 0 BHAEMN CCC[C@H](N[C@H](C)c1cc[nH]n1)c1ccccc1 ZINC000037907765 169513775 /nfs/dbraw/zinc/51/37/75/169513775.db2.gz ZMAXSOILECJRCI-DOMZBBRYSA-N 0 1 243.354 3.602 10 0 BHAEMN CC(C)[C@H](N[C@H](C)c1cc[nH]n1)c1cccs1 ZINC000037907815 188289172 /nfs/dbraw/zinc/28/91/72/188289172.db2.gz NJTFLRJJEXVHCU-MFKMUULPSA-N 0 1 249.383 3.519 10 0 BHAEMN Cc1cccc(NCC(C)(C)c2ccccc2)n1 ZINC000037935107 179144129 /nfs/dbraw/zinc/14/41/29/179144129.db2.gz DXNYPNAWXIHRBI-UHFFFAOYSA-N 0 1 240.350 3.780 10 0 BHAEMN Cc1cccc2oc([C@H](N)C3CCCCC3)nc21 ZINC000038052723 179232876 /nfs/dbraw/zinc/23/28/76/179232876.db2.gz MGLOSRHHWJDIGL-CYBMUJFWSA-N 0 1 244.338 3.716 10 0 BHAEMN Cc1cccc2oc([C@@H](N)C3CCCCC3)nc21 ZINC000038052724 179233461 /nfs/dbraw/zinc/23/34/61/179233461.db2.gz MGLOSRHHWJDIGL-ZDUSSCGKSA-N 0 1 244.338 3.716 10 0 BHAEMN C/C=C/c1ccc(Cl)c(Cl)c1O ZINC000038235410 368325009 /nfs/dbraw/zinc/32/50/09/368325009.db2.gz UERCOOUJBZYWMX-NSCUHMNNSA-N 0 1 203.068 3.732 10 0 BHAEMN CC[C@@H](C)c1n[nH]c2c1CCc1ccccc1-2 ZINC000039041626 347174287 /nfs/dbraw/zinc/17/42/87/347174287.db2.gz LGTMMRCQSLGRFE-SNVBAGLBSA-N 0 1 226.323 3.689 10 0 BHAEMN CC[C@H](C)c1n[nH]c2c1CCc1ccccc1-2 ZINC000039041627 347174298 /nfs/dbraw/zinc/17/42/98/347174298.db2.gz LGTMMRCQSLGRFE-JTQLQIEISA-N 0 1 226.323 3.689 10 0 BHAEMN CCc1cccc(CC)c1NC(=N)SC ZINC000039102343 384104061 /nfs/dbraw/zinc/10/40/61/384104061.db2.gz QFVZJCYWBGKKAM-UHFFFAOYSA-N 0 1 222.357 3.521 10 0 BHAEMN Cc1ccc(-c2cc(-c3ccccc3N)[nH]n2)cc1 ZINC000039171546 358219921 /nfs/dbraw/zinc/21/99/21/358219921.db2.gz OYTQLNAPHLRBSL-UHFFFAOYSA-N 0 1 249.317 3.634 10 0 BHAEMN Oc1cc(Cl)c2ccccc2c1Cl ZINC000039249380 183258633 /nfs/dbraw/zinc/25/86/33/183258633.db2.gz QAYITGAHWYCLIB-UHFFFAOYSA-N 0 1 213.063 3.852 10 0 BHAEMN Oc1cc2ccsc2c(Cl)c1Cl ZINC000039474572 183262351 /nfs/dbraw/zinc/26/23/51/183262351.db2.gz MOJFZUXYGKYYSQ-UHFFFAOYSA-N 0 1 219.092 3.914 10 0 BHAEMN CC(C)NCc1csc(C2CCCCC2)n1 ZINC000040999688 167120833 /nfs/dbraw/zinc/12/08/33/167120833.db2.gz MFLYHIUZATZHCB-UHFFFAOYSA-N 0 1 238.400 3.689 10 0 BHAEMN CCC[C@@H](N)c1nc(-c2ccc(C)o2)cs1 ZINC000041059317 169393432 /nfs/dbraw/zinc/39/34/32/169393432.db2.gz MWRYQZBQDHKMON-SECBINFHSA-N 0 1 236.340 3.511 10 0 BHAEMN Cc1csc([C@@H](N)c2ccc(C(C)C)cc2)n1 ZINC000041182072 179794276 /nfs/dbraw/zinc/79/42/76/179794276.db2.gz QOKAKLRHPQLXKK-ZDUSSCGKSA-N 0 1 246.379 3.623 10 0 BHAEMN Clc1ccccc1[C@H]1NCCc2sccc21 ZINC000041305290 582684993 /nfs/dbraw/zinc/68/49/93/582684993.db2.gz XVSMFWDLYRJQFQ-CYBMUJFWSA-N 0 1 249.766 3.637 10 0 BHAEMN Clc1ccccc1[C@@H]1NCCc2sccc21 ZINC000041305292 582685310 /nfs/dbraw/zinc/68/53/10/582685310.db2.gz XVSMFWDLYRJQFQ-ZDUSSCGKSA-N 0 1 249.766 3.637 10 0 BHAEMN Clc1cccc([C@H]2NCCc3sccc32)c1 ZINC000041305295 582685402 /nfs/dbraw/zinc/68/54/02/582685402.db2.gz SGGRXQLNFXCZMO-CYBMUJFWSA-N 0 1 249.766 3.637 10 0 BHAEMN Clc1cccc([C@@H]2NCCc3sccc32)c1 ZINC000041305298 582685150 /nfs/dbraw/zinc/68/51/50/582685150.db2.gz SGGRXQLNFXCZMO-ZDUSSCGKSA-N 0 1 249.766 3.637 10 0 BHAEMN Cc1cc(CN[C@@H](C)c2ccco2)c(C)s1 ZINC000042325873 178030714 /nfs/dbraw/zinc/03/07/14/178030714.db2.gz SQZRZOMCHZRXDP-JTQLQIEISA-N 0 1 235.352 3.809 10 0 BHAEMN Cc1cc(CN[C@H](C)c2ccco2)c(C)s1 ZINC000042325876 178038170 /nfs/dbraw/zinc/03/81/70/178038170.db2.gz SQZRZOMCHZRXDP-SNVBAGLBSA-N 0 1 235.352 3.809 10 0 BHAEMN CCCC(=O)C=C(O)c1c(C)cc(C)cc1C ZINC000042413607 188293914 /nfs/dbraw/zinc/29/39/14/188293914.db2.gz UABDRBRETDHEFE-UHFFFAOYSA-N 0 1 232.323 3.554 10 0 BHAEMN CC[C@H](C)[C@@H](C)Nc1ccc(N)c2cnccc12 ZINC000042552513 171367616 /nfs/dbraw/zinc/36/76/16/171367616.db2.gz RNNSENRSKNXZIS-WDEREUQCSA-N 0 1 243.354 3.664 10 0 BHAEMN CC[C@H](C)[C@H](C)Nc1ccc(N)c2cnccc12 ZINC000042552519 171391047 /nfs/dbraw/zinc/39/10/47/171391047.db2.gz RNNSENRSKNXZIS-QWRGUYRKSA-N 0 1 243.354 3.664 10 0 BHAEMN Cc1ccc(C(=O)CN(C)[C@@H](C)CC(C)C)cc1 ZINC000042586583 187266415 /nfs/dbraw/zinc/26/64/15/187266415.db2.gz NNQKIQXYXDIFOY-AWEZNQCLSA-N 0 1 247.382 3.544 10 0 BHAEMN Cc1ccc(C(=O)CN(C)[C@H](C)CC(C)C)cc1 ZINC000042586586 188293370 /nfs/dbraw/zinc/29/33/70/188293370.db2.gz NNQKIQXYXDIFOY-CQSZACIVSA-N 0 1 247.382 3.544 10 0 BHAEMN Cc1ccccc1C(=O)CN(C)[C@@H](C)CC(C)C ZINC000042586709 179245353 /nfs/dbraw/zinc/24/53/53/179245353.db2.gz BAYMFZVCJGVLTQ-AWEZNQCLSA-N 0 1 247.382 3.544 10 0 BHAEMN Cc1ccccc1C(=O)CN(CC(C)C)C(C)C ZINC000042587800 179246350 /nfs/dbraw/zinc/24/63/50/179246350.db2.gz PQEWYPRWDLEQIW-UHFFFAOYSA-N 0 1 247.382 3.544 10 0 BHAEMN C[C@H](C(=O)c1ccccc1)N(C)[C@@H](C)C(C)(C)C ZINC000042739450 176744779 /nfs/dbraw/zinc/74/47/79/176744779.db2.gz BRZPJCRONLZCRU-OLZOCXBDSA-N 0 1 247.382 3.624 10 0 BHAEMN Cc1ccc(C(=O)CN(C)[C@H](C)C(C)(C)C)cc1 ZINC000042773738 188294517 /nfs/dbraw/zinc/29/45/17/188294517.db2.gz QQGKHXKJHBLONF-CYBMUJFWSA-N 0 1 247.382 3.544 10 0 BHAEMN Cc1cccc(C(=O)CN(C)[C@H](C)C(C)(C)C)c1 ZINC000042773982 179004541 /nfs/dbraw/zinc/00/45/41/179004541.db2.gz RNJZRFZWKGUNQL-CYBMUJFWSA-N 0 1 247.382 3.544 10 0 BHAEMN Cc1ccccc1C(=O)CN(C)[C@@H](C)C(C)(C)C ZINC000042774229 179246379 /nfs/dbraw/zinc/24/63/79/179246379.db2.gz WNNRKXQNXOFYKY-ZDUSSCGKSA-N 0 1 247.382 3.544 10 0 BHAEMN Cc1ccccc1C(=O)CN(C)[C@H](C)C(C)(C)C ZINC000042774233 179246485 /nfs/dbraw/zinc/24/64/85/179246485.db2.gz WNNRKXQNXOFYKY-CYBMUJFWSA-N 0 1 247.382 3.544 10 0 BHAEMN FC(F)(F)c1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000043463626 358376684 /nfs/dbraw/zinc/37/66/84/358376684.db2.gz TWUOPOKOMYCMSV-UHFFFAOYSA-N 0 1 246.619 3.749 10 0 BHAEMN CC(C)(C)[C@@H]1CCc2n[nH]c(C(F)(F)F)c2C1 ZINC000043463646 188121243 /nfs/dbraw/zinc/12/12/43/188121243.db2.gz CYMDYOTYZGUNSG-SSDOTTSWSA-N 0 1 246.276 3.580 10 0 BHAEMN CC(C)(C)[C@H]1CCc2n[nH]c(C(F)(F)F)c2C1 ZINC000043463647 384830316 /nfs/dbraw/zinc/83/03/16/384830316.db2.gz CYMDYOTYZGUNSG-ZETCQYMHSA-N 0 1 246.276 3.580 10 0 BHAEMN Cc1nc([C@@H](C)NC2CC2)sc1C(C)(C)C ZINC000045205558 180036095 /nfs/dbraw/zinc/03/60/95/180036095.db2.gz CMZOBXSUNZKMKE-SECBINFHSA-N 0 1 238.400 3.562 10 0 BHAEMN Cc1nc([C@H](C)NC2CC2)sc1C(C)(C)C ZINC000045205559 180048860 /nfs/dbraw/zinc/04/88/60/180048860.db2.gz CMZOBXSUNZKMKE-VIFPVBQESA-N 0 1 238.400 3.562 10 0 BHAEMN Cc1cccc(CN[C@@H](C)c2ccco2)c1C ZINC000048463038 179097466 /nfs/dbraw/zinc/09/74/66/179097466.db2.gz BUUYDBJBRLNDNH-ZDUSSCGKSA-N 0 1 229.323 3.747 10 0 BHAEMN Cc1cccc(CN[C@H](C)c2ccco2)c1C ZINC000048463039 179099206 /nfs/dbraw/zinc/09/92/06/179099206.db2.gz BUUYDBJBRLNDNH-CYBMUJFWSA-N 0 1 229.323 3.747 10 0 BHAEMN CC[C@@H]1CSC(N[C@@H](C)c2ccccc2C)=N1 ZINC000049526586 171113321 /nfs/dbraw/zinc/11/33/21/171113321.db2.gz YTWNTOFXQJHPAU-NWDGAFQWSA-N 0 1 248.395 3.527 10 0 BHAEMN CC[C@@H]1CSC(N[C@H](C)c2ccccc2C)=N1 ZINC000049526588 171113165 /nfs/dbraw/zinc/11/31/65/171113165.db2.gz YTWNTOFXQJHPAU-VXGBXAGGSA-N 0 1 248.395 3.527 10 0 BHAEMN Cc1ccccc1[C@@H](C)NC1=NC(C)(C)CS1 ZINC000049526590 179319057 /nfs/dbraw/zinc/31/90/57/179319057.db2.gz NUODQBKOAPIRNN-LLVKDONJSA-N 0 1 248.395 3.527 10 0 BHAEMN Cc1ccccc1[C@H](C)NC1=NC(C)(C)CS1 ZINC000049526591 179337876 /nfs/dbraw/zinc/33/78/76/179337876.db2.gz NUODQBKOAPIRNN-NSHDSACASA-N 0 1 248.395 3.527 10 0 BHAEMN CC[C@@H]1CSC(N[C@@H](C)c2ccc(C)cc2)=N1 ZINC000049559220 171114367 /nfs/dbraw/zinc/11/43/67/171114367.db2.gz VPAUAGXXZMWCOO-WCQYABFASA-N 0 1 248.395 3.527 10 0 BHAEMN CC[C@@H]1CSC(N[C@H](C)c2ccc(C)cc2)=N1 ZINC000049559222 171114173 /nfs/dbraw/zinc/11/41/73/171114173.db2.gz VPAUAGXXZMWCOO-DGCLKSJQSA-N 0 1 248.395 3.527 10 0 BHAEMN Cc1cc(CNCc2ccccc2F)c(C)s1 ZINC000049684978 178027262 /nfs/dbraw/zinc/02/72/62/178027262.db2.gz QILCTWORYCOGRX-UHFFFAOYSA-N 0 1 249.354 3.794 10 0 BHAEMN C[C@@H](c1cccs1)[N@@H+](C)Cc1ccccc1N ZINC000049717078 176032447 /nfs/dbraw/zinc/03/24/47/176032447.db2.gz ABYLQTRPLJDGIN-NSHDSACASA-N 0 1 246.379 3.523 10 0 BHAEMN C[C@H](c1cccs1)[N@@H+](C)Cc1ccccc1N ZINC000049717079 177049435 /nfs/dbraw/zinc/04/94/35/177049435.db2.gz ABYLQTRPLJDGIN-LLVKDONJSA-N 0 1 246.379 3.523 10 0 BHAEMN Cc1ccccc1-c1n[nH]c(-c2cccs2)n1 ZINC000050200540 179237220 /nfs/dbraw/zinc/23/72/20/179237220.db2.gz WMBUPAZDIUQXNP-UHFFFAOYSA-N 0 1 241.319 3.509 10 0 BHAEMN CCN[C@H](C1=CCCC1)c1c(F)cccc1F ZINC000050327814 170160688 /nfs/dbraw/zinc/16/06/88/170160688.db2.gz FASSZHBRAOVLSH-CQSZACIVSA-N 0 1 237.293 3.726 10 0 BHAEMN CCN[C@@H](C1=CCCC1)c1c(F)cccc1F ZINC000050327815 170142984 /nfs/dbraw/zinc/14/29/84/170142984.db2.gz FASSZHBRAOVLSH-AWEZNQCLSA-N 0 1 237.293 3.726 10 0 BHAEMN C[C@@H](Nc1cccc2[nH]ncc21)c1ccsc1 ZINC000050344037 175932747 /nfs/dbraw/zinc/93/27/47/175932747.db2.gz QOXXUNRSHNUMGL-SECBINFHSA-N 0 1 243.335 3.798 10 0 BHAEMN CCC[C@@H](CC)Nc1ccc(N)c2cnccc12 ZINC000050399562 169380304 /nfs/dbraw/zinc/38/03/04/169380304.db2.gz ACHNVCFNJQHWON-LLVKDONJSA-N 0 1 243.354 3.808 10 0 BHAEMN CCC[C@H](CC)Nc1ccc(N)c2cnccc12 ZINC000050399565 169497242 /nfs/dbraw/zinc/49/72/42/169497242.db2.gz ACHNVCFNJQHWON-NSHDSACASA-N 0 1 243.354 3.808 10 0 BHAEMN CCC[C@@H](CC)Nc1cc2ccccc2c(=O)[nH]1 ZINC000050405867 169380402 /nfs/dbraw/zinc/38/04/02/169380402.db2.gz XCKVTKZYFYSGRJ-GFCCVEGCSA-N 0 1 244.338 3.519 10 0 BHAEMN CCC[C@@H](CC)n1c(N)nc2cc(F)ccc21 ZINC000050406366 169381906 /nfs/dbraw/zinc/38/19/06/169381906.db2.gz XIWGZZRHKJRMJA-SNVBAGLBSA-N 0 1 235.306 3.509 10 0 BHAEMN Cc1ccc([C@@H](C)NCc2ccc(F)cc2C)o1 ZINC000050569545 357712088 /nfs/dbraw/zinc/71/20/88/357712088.db2.gz KCNOAZBECSYZRF-GFCCVEGCSA-N 0 1 247.313 3.886 10 0 BHAEMN Cc1ccc([C@H](C)NCc2ccc(F)cc2C)o1 ZINC000050569546 357711837 /nfs/dbraw/zinc/71/18/37/357711837.db2.gz KCNOAZBECSYZRF-LBPRGKRZSA-N 0 1 247.313 3.886 10 0 BHAEMN CCn1ccnc1N[C@@H](C)c1ccc(Cl)cc1 ZINC000050614227 172228360 /nfs/dbraw/zinc/22/83/60/172228360.db2.gz HHQQCJQNOWYPJR-JTQLQIEISA-N 0 1 249.745 3.730 10 0 BHAEMN CCn1ccnc1N[C@H](C)c1ccc(Cl)cc1 ZINC000050614228 172228242 /nfs/dbraw/zinc/22/82/42/172228242.db2.gz HHQQCJQNOWYPJR-SNVBAGLBSA-N 0 1 249.745 3.730 10 0 BHAEMN CCCNc1cc(C)nc2cc(F)cc(F)c21 ZINC000050868742 169293848 /nfs/dbraw/zinc/29/38/48/169293848.db2.gz ZKVFBLAJGBNWIW-UHFFFAOYSA-N 0 1 236.265 3.643 10 0 BHAEMN CCNc1cc(CC)nc2cc(F)c(F)cc21 ZINC000050870054 170172480 /nfs/dbraw/zinc/17/24/80/170172480.db2.gz VBHLNCGZUWKPIS-UHFFFAOYSA-N 0 1 236.265 3.507 10 0 BHAEMN CCCNc1cc(C)nc2ccc(F)cc21 ZINC000050870525 169293452 /nfs/dbraw/zinc/29/34/52/169293452.db2.gz AUWFRFHNMMXKKY-UHFFFAOYSA-N 0 1 218.275 3.504 10 0 BHAEMN Cc1cccc2c(N)cc(-c3ccccc3)nc12 ZINC000050870862 179210638 /nfs/dbraw/zinc/21/06/38/179210638.db2.gz AWVDKKSWBFXSNU-UHFFFAOYSA-N 0 1 234.302 3.792 10 0 BHAEMN CCC[C@@H](C)CSc1nc2ccc(N)cc2[nH]1 ZINC000051323460 169361619 /nfs/dbraw/zinc/36/16/19/169361619.db2.gz CRQOYMWXBGGBDJ-SECBINFHSA-N 0 1 249.383 3.673 10 0 BHAEMN CCc1ccc(CN[C@H]2CCc3ccccc32)o1 ZINC000051721709 398056995 /nfs/dbraw/zinc/05/69/95/398056995.db2.gz DGMAGRGBQHGZCP-INIZCTEOSA-N 0 1 241.334 3.619 10 0 BHAEMN CCc1ccc(CN[C@@H](C)c2cccs2)o1 ZINC000051721848 398057293 /nfs/dbraw/zinc/05/72/93/398057293.db2.gz VNLFRMMLUSHKAP-JTQLQIEISA-N 0 1 235.352 3.754 10 0 BHAEMN CCc1ccc(CN[C@H](C)c2cccs2)o1 ZINC000051721850 398057248 /nfs/dbraw/zinc/05/72/48/398057248.db2.gz VNLFRMMLUSHKAP-SNVBAGLBSA-N 0 1 235.352 3.754 10 0 BHAEMN CCN[C@@H](c1ccc(CC)o1)c1ccc(F)cc1 ZINC000051728009 170163876 /nfs/dbraw/zinc/16/38/76/170163876.db2.gz LGXXREDLZRICFB-OAHLLOKOSA-N 0 1 247.313 3.680 10 0 BHAEMN CCN[C@H](c1ccc(CC)o1)c1ccc(F)cc1 ZINC000051728011 170147133 /nfs/dbraw/zinc/14/71/33/170147133.db2.gz LGXXREDLZRICFB-HNNXBMFYSA-N 0 1 247.313 3.680 10 0 BHAEMN O=Cc1cc(-c2ccccc2)cc(Cl)c1O ZINC000052068796 384713165 /nfs/dbraw/zinc/71/31/65/384713165.db2.gz KQDUENYZXACNHL-UHFFFAOYSA-N 0 1 232.666 3.525 10 0 BHAEMN CCC(C)(C)c1ccc2oc(CN)c(C)c2c1 ZINC000052068895 168305891 /nfs/dbraw/zinc/30/58/91/168305891.db2.gz WWMPZIVYLYVYFV-UHFFFAOYSA-N 0 1 231.339 3.888 10 0 BHAEMN C[C@@H]1CCCC[C@@H]1n1c(N)nc2ccc(F)cc21 ZINC000052122816 176083566 /nfs/dbraw/zinc/08/35/66/176083566.db2.gz OWDOCDLXJNCKEY-SKDRFNHKSA-N 0 1 247.317 3.509 10 0 BHAEMN C[C@H]1CCCC[C@@H]1n1c(N)nc2ccc(F)cc21 ZINC000052122817 177084313 /nfs/dbraw/zinc/08/43/13/177084313.db2.gz OWDOCDLXJNCKEY-CABZTGNLSA-N 0 1 247.317 3.509 10 0 BHAEMN C[C@@H]1CCCC[C@H]1n1c(N)nc2ccc(F)cc21 ZINC000052122818 176089972 /nfs/dbraw/zinc/08/99/72/176089972.db2.gz OWDOCDLXJNCKEY-BXKDBHETSA-N 0 1 247.317 3.509 10 0 BHAEMN C[C@H]1CCCC[C@H]1n1c(N)nc2ccc(F)cc21 ZINC000052122819 177090403 /nfs/dbraw/zinc/09/04/03/177090403.db2.gz OWDOCDLXJNCKEY-JOYOIKCWSA-N 0 1 247.317 3.509 10 0 BHAEMN Cc1ccc2nc(Cc3cccc(C)c3)[nH]c2c1 ZINC000052136523 188299526 /nfs/dbraw/zinc/29/95/26/188299526.db2.gz GIVWKIDCQXWXCF-UHFFFAOYSA-N 0 1 236.318 3.771 10 0 BHAEMN Cc1nc2cc(N)ccc2n1[C@@H]1CCCC[C@@H]1C ZINC000052842186 180081496 /nfs/dbraw/zinc/08/14/96/180081496.db2.gz KXVHUKMBLCDPGV-IINYFYTJSA-N 0 1 243.354 3.678 10 0 BHAEMN Cc1nc2cc(N)ccc2n1[C@H]1CCCC[C@@H]1C ZINC000052842188 180081558 /nfs/dbraw/zinc/08/15/58/180081558.db2.gz KXVHUKMBLCDPGV-HZMBPMFUSA-N 0 1 243.354 3.678 10 0 BHAEMN Cc1nc2cc(N)ccc2n1[C@@H]1CCCC[C@H]1C ZINC000052842190 180082551 /nfs/dbraw/zinc/08/25/51/180082551.db2.gz KXVHUKMBLCDPGV-QMTHXVAHSA-N 0 1 243.354 3.678 10 0 BHAEMN Cc1nc2cc(N)ccc2n1[C@H]1CCCC[C@H]1C ZINC000052842192 180082590 /nfs/dbraw/zinc/08/25/90/180082590.db2.gz KXVHUKMBLCDPGV-YGRLFVJLSA-N 0 1 243.354 3.678 10 0 BHAEMN Cc1nc2cc(N)ccc2n1[C@@H](C)CC(C)C ZINC000052852586 180081657 /nfs/dbraw/zinc/08/16/57/180081657.db2.gz CNNLKDQLUPNAAW-JTQLQIEISA-N 0 1 231.343 3.534 10 0 BHAEMN Cc1nc2cc(N)ccc2n1[C@H](C)CC(C)C ZINC000052852587 180081299 /nfs/dbraw/zinc/08/12/99/180081299.db2.gz CNNLKDQLUPNAAW-SNVBAGLBSA-N 0 1 231.343 3.534 10 0 BHAEMN Cc1nc2cc(N)ccc2n1CCC1CCCC1 ZINC000052853150 180081247 /nfs/dbraw/zinc/08/12/47/180081247.db2.gz BAMQUWSALIWQCE-UHFFFAOYSA-N 0 1 243.354 3.507 10 0 BHAEMN CCC[C@@H](CC)n1c2ccc(N)cc2nc1CC ZINC000052853330 169381735 /nfs/dbraw/zinc/38/17/35/169381735.db2.gz NXIBGTXWFMUEDH-GFCCVEGCSA-N 0 1 245.370 3.932 10 0 BHAEMN Cc1ccc2nc(-c3cc(C)ccc3F)[nH]c2c1 ZINC000052998327 178668916 /nfs/dbraw/zinc/66/89/16/178668916.db2.gz UTYPBOKKJWFTHM-UHFFFAOYSA-N 0 1 240.281 3.986 10 0 BHAEMN CCC[C@@H](N)c1nc(-c2ccco2)c(C)s1 ZINC000054083878 169393446 /nfs/dbraw/zinc/39/34/46/169393446.db2.gz GATXAAKAGWOKBT-SECBINFHSA-N 0 1 236.340 3.511 10 0 BHAEMN Cc1cc(F)cc2c1C[C@H](c1ccccc1)NC2 ZINC000054684715 178081258 /nfs/dbraw/zinc/08/12/58/178081258.db2.gz YPRZPFPBWSVCJA-MRXNPFEDSA-N 0 1 241.309 3.521 10 0 BHAEMN Cc1cc(F)cc2c1C[C@@H](c1ccccc1)NC2 ZINC000054684717 178080263 /nfs/dbraw/zinc/08/02/63/178080263.db2.gz YPRZPFPBWSVCJA-INIZCTEOSA-N 0 1 241.309 3.521 10 0 BHAEMN c1ncc(CNc2ccccc2-c2ccccc2)[nH]1 ZINC000054762938 183380705 /nfs/dbraw/zinc/38/07/05/183380705.db2.gz KIOHIMOXADWIJU-UHFFFAOYSA-N 0 1 249.317 3.689 10 0 BHAEMN CCN[C@@H](c1ccsc1)c1cc(C)ccc1F ZINC000055223317 170150130 /nfs/dbraw/zinc/15/01/30/170150130.db2.gz PWWRGOYWDNXYKT-AWEZNQCLSA-N 0 1 249.354 3.895 10 0 BHAEMN CCN[C@H](c1ccsc1)c1cc(C)ccc1F ZINC000055223319 170164682 /nfs/dbraw/zinc/16/46/82/170164682.db2.gz PWWRGOYWDNXYKT-CQSZACIVSA-N 0 1 249.354 3.895 10 0 BHAEMN CCCN[C@@H](c1ccco1)c1cc(F)ccc1C ZINC000055229601 169280562 /nfs/dbraw/zinc/28/05/62/169280562.db2.gz QOMAXIAOMAHKAW-OAHLLOKOSA-N 0 1 247.313 3.816 10 0 BHAEMN CCCN[C@H](c1ccco1)c1cc(F)ccc1C ZINC000055229606 169290799 /nfs/dbraw/zinc/29/07/99/169290799.db2.gz QOMAXIAOMAHKAW-HNNXBMFYSA-N 0 1 247.313 3.816 10 0 BHAEMN Cc1cccnc1[C@H](N)c1ccc(C(C)C)cc1 ZINC000055241499 179397685 /nfs/dbraw/zinc/39/76/85/179397685.db2.gz ZDCYCXAOHCKTHV-OAHLLOKOSA-N 0 1 240.350 3.562 10 0 BHAEMN Cc1cccnc1[C@@H](N)c1ccc(C(C)C)cc1 ZINC000055241501 179398367 /nfs/dbraw/zinc/39/83/67/179398367.db2.gz ZDCYCXAOHCKTHV-HNNXBMFYSA-N 0 1 240.350 3.562 10 0 BHAEMN CCC(CC)CN(CC)c1ccc(N)c(C)c1 ZINC000057580328 168351235 /nfs/dbraw/zinc/35/12/35/168351235.db2.gz QUOUXFOVTCSKHF-UHFFFAOYSA-N 0 1 234.387 3.840 10 0 BHAEMN Cc1cc(N)ccc1N(C)[C@@H]1CCCC[C@@H]1C ZINC000058999339 178105771 /nfs/dbraw/zinc/10/57/71/178105771.db2.gz KGVBXRKZAYPOGY-SMDDNHRTSA-N 0 1 232.371 3.592 10 0 BHAEMN Cc1cc(N)ccc1N(C)[C@H]1CCCC[C@@H]1C ZINC000058999341 178105528 /nfs/dbraw/zinc/10/55/28/178105528.db2.gz KGVBXRKZAYPOGY-FZMZJTMJSA-N 0 1 232.371 3.592 10 0 BHAEMN Cc1cc(N(C)[C@@H]2CCCC[C@@H]2C)ccc1N ZINC000058999345 178100107 /nfs/dbraw/zinc/10/01/07/178100107.db2.gz WYZJUAMFLMDXBC-XHDPSFHLSA-N 0 1 232.371 3.592 10 0 BHAEMN Cc1cc(N(C)[C@H]2CCCC[C@@H]2C)ccc1N ZINC000058999347 178100758 /nfs/dbraw/zinc/10/07/58/178100758.db2.gz WYZJUAMFLMDXBC-NHYWBVRUSA-N 0 1 232.371 3.592 10 0 BHAEMN COc1ccc(C)c2c(N)c(C(C)C)c(C)nc12 ZINC000061687727 175070763 /nfs/dbraw/zinc/07/07/63/175070763.db2.gz FVVINVFUMFUCEG-UHFFFAOYSA-N 0 1 244.338 3.566 10 0 BHAEMN CCc1oc2ccccc2c1[C@H](N)c1ccoc1 ZINC000061876823 172112795 /nfs/dbraw/zinc/11/27/95/172112795.db2.gz SMQSHHZGXPDSLS-OAHLLOKOSA-N 0 1 241.290 3.636 10 0 BHAEMN CCc1oc2ccccc2c1[C@@H](N)c1ccoc1 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Cc1ccc([C@H]2NCc3cccc4[nH]cc2c43)cc1 ZINC000584651338 358306519 /nfs/dbraw/zinc/30/65/19/358306519.db2.gz XSKANOQFSSZHFD-QGZVFWFLSA-N 0 1 248.329 3.669 10 0 BHAEMN Cc1ccc([C@@H]2C[N@H+](C)Cc3sccc32)cc1 ZINC000584651614 358306219 /nfs/dbraw/zinc/30/62/19/358306219.db2.gz CTCIGXQQSRUTNY-AWEZNQCLSA-N 0 1 243.375 3.634 10 0 BHAEMN Cc1ccc([C@H]2C[N@H+](C)Cc3sccc32)cc1 ZINC000584651615 358306485 /nfs/dbraw/zinc/30/64/85/358306485.db2.gz CTCIGXQQSRUTNY-CQSZACIVSA-N 0 1 243.375 3.634 10 0 BHAEMN CC[N@H+]1CCCC[C@H]1c1cc2ccccc2cn1 ZINC000616615522 350847783 /nfs/dbraw/zinc/84/77/83/350847783.db2.gz PCFCQUGFUNKZAH-INIZCTEOSA-N 0 1 240.350 3.782 10 0 BHAEMN CC(C)[N@H+]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000616617201 398180561 /nfs/dbraw/zinc/18/05/61/398180561.db2.gz NCOBUTOLMVZLFW-CYBMUJFWSA-N 0 1 237.774 3.928 10 0 BHAEMN C[N@H+]1CCCCC[C@@H]1c1ccccc1Cl ZINC000616624376 343524920 /nfs/dbraw/zinc/52/49/20/343524920.db2.gz ZLFXZMGMSBLZOK-CYBMUJFWSA-N 0 1 223.747 3.887 10 0 BHAEMN Cc1ccc2cc([C@H](N)C(C)(C)C)oc2c1 ZINC000675080240 538519402 /nfs/dbraw/zinc/51/94/02/538519402.db2.gz AAVDNXYJPBXQNL-ZDUSSCGKSA-N 0 1 217.312 3.787 10 0 BHAEMN Cc1cccc2oc([C@@H](N)C(C)(C)C)cc21 ZINC000675080400 538520416 /nfs/dbraw/zinc/52/04/16/538520416.db2.gz DFCJGVBAVIROSX-CYBMUJFWSA-N 0 1 217.312 3.787 10 0 BHAEMN Cc1cccc2oc([C@H](N)C(C)(C)C)cc21 ZINC000675080401 538520053 /nfs/dbraw/zinc/52/00/53/538520053.db2.gz DFCJGVBAVIROSX-ZDUSSCGKSA-N 0 1 217.312 3.787 10 0 BHAEMN CC(C)(C)[C@H](N)c1cc2ccc(F)cc2o1 ZINC000675081167 538521625 /nfs/dbraw/zinc/52/16/25/538521625.db2.gz KLXXIYNZBKLNPL-GFCCVEGCSA-N 0 1 221.275 3.618 10 0 BHAEMN CC(C)(C)[C@@H](N)c1cc2ccc(F)cc2o1 ZINC000675081168 538521277 /nfs/dbraw/zinc/52/12/77/538521277.db2.gz KLXXIYNZBKLNPL-LBPRGKRZSA-N 0 1 221.275 3.618 10 0 BHAEMN Cc1cscc1NCc1[nH]nc2ccccc21 ZINC000676644642 487886172 /nfs/dbraw/zinc/88/61/72/487886172.db2.gz XRJZINVPKVJVFU-UHFFFAOYSA-N 0 1 243.335 3.545 10 0 BHAEMN CCC[C@@H]1CCc2n[nH]c(CC(C)C)c2C1 ZINC000685952363 538896432 /nfs/dbraw/zinc/89/64/32/538896432.db2.gz HYIYTWNBGATCJS-LLVKDONJSA-N 0 1 220.360 3.513 10 0 BHAEMN CCC[C@H]1CCc2n[nH]c(CC(C)C)c2C1 ZINC000685952364 538896400 /nfs/dbraw/zinc/89/64/00/538896400.db2.gz HYIYTWNBGATCJS-NSHDSACASA-N 0 1 220.360 3.513 10 0 BHAEMN CCC(C)(C)CCC(=O)CNCc1ccccc1 ZINC000685960553 538907487 /nfs/dbraw/zinc/90/74/87/538907487.db2.gz RGXNYAUQOQBGBW-UHFFFAOYSA-N 0 1 247.382 3.562 10 0 BHAEMN CC(C)(C)CCCC(=O)CNCc1ccccc1 ZINC000685960669 538907477 /nfs/dbraw/zinc/90/74/77/538907477.db2.gz XTRAYLVJGPFQIQ-UHFFFAOYSA-N 0 1 247.382 3.562 10 0 BHAEMN C=C(OCC)c1cc(Cl)c(O)cc1Cl ZINC000685965247 538911524 /nfs/dbraw/zinc/91/15/24/538911524.db2.gz VXGLDCAGCHOTEV-UHFFFAOYSA-N 0 1 233.094 3.706 10 0 BHAEMN Cc1cnc([C@@H](C)NC[C@@H](C)CC(C)(C)C)o1 ZINC000709103679 712208843 /nfs/dbraw/zinc/20/88/43/712208843.db2.gz JFBYYUOCLCTFAZ-CMPLNLGQSA-N 0 1 238.375 3.706 10 0 BHAEMN Cc1cnc([C@H](C)NC[C@@H](C)CC(C)(C)C)o1 ZINC000709103692 712208864 /nfs/dbraw/zinc/20/88/64/712208864.db2.gz JFBYYUOCLCTFAZ-JQWIXIFHSA-N 0 1 238.375 3.706 10 0 BHAEMN Cc1cnc([C@H](C)NC[C@H](C)CC(C)(C)C)o1 ZINC000709103696 712208890 /nfs/dbraw/zinc/20/88/90/712208890.db2.gz JFBYYUOCLCTFAZ-PWSUYJOCSA-N 0 1 238.375 3.706 10 0 BHAEMN Cc1cnc([C@@H](C)NC[C@H](C)CC(C)(C)C)o1 ZINC000709103701 712208739 /nfs/dbraw/zinc/20/87/39/712208739.db2.gz JFBYYUOCLCTFAZ-ZYHUDNBSSA-N 0 1 238.375 3.706 10 0 BHAEMN Cc1coc(CN[C@@H](C)c2ccccc2C)c1 ZINC000718097237 712743078 /nfs/dbraw/zinc/74/30/78/712743078.db2.gz LBQXMWDJGAZYJI-ZDUSSCGKSA-N 0 1 229.323 3.747 10 0 BHAEMN Cc1coc(CN[C@H](C)c2cccc(C)c2)c1 ZINC000718100069 712743051 /nfs/dbraw/zinc/74/30/51/712743051.db2.gz WGVVHOKRIRHJNM-CYBMUJFWSA-N 0 1 229.323 3.747 10 0 BHAEMN Cc1coc(CN[C@@H](C)c2cccc(C)c2)c1 ZINC000718100071 712742616 /nfs/dbraw/zinc/74/26/16/712742616.db2.gz WGVVHOKRIRHJNM-ZDUSSCGKSA-N 0 1 229.323 3.747 10 0 BHAEMN Cc1coc(CN[C@@H](C)c2cccs2)c1 ZINC000718117502 712744459 /nfs/dbraw/zinc/74/44/59/712744459.db2.gz GDNXYQIIFIFMLR-JTQLQIEISA-N 0 1 221.325 3.500 10 0 BHAEMN Cc1coc(CN[C@H](C)c2cccs2)c1 ZINC000718118130 712744450 /nfs/dbraw/zinc/74/44/50/712744450.db2.gz GDNXYQIIFIFMLR-SNVBAGLBSA-N 0 1 221.325 3.500 10 0 BHAEMN Cc1coc(CN[C@H](C)c2ccc(C)c(F)c2)c1 ZINC000718129658 712746738 /nfs/dbraw/zinc/74/67/38/712746738.db2.gz FFTPYVSACOEDNT-GFCCVEGCSA-N 0 1 247.313 3.886 10 0 BHAEMN Cc1coc(CN[C@@H](C)c2ccc(C)c(F)c2)c1 ZINC000718129664 712746531 /nfs/dbraw/zinc/74/65/31/712746531.db2.gz FFTPYVSACOEDNT-LBPRGKRZSA-N 0 1 247.313 3.886 10 0 BHAEMN CC(C)Cc1[nH]nc2c1C[C@H](C(C)(C)C)CC2 ZINC000725265453 538093240 /nfs/dbraw/zinc/09/32/40/538093240.db2.gz FLRCBOALBINLIP-LLVKDONJSA-N 0 1 234.387 3.759 10 0 BHAEMN CC(C)Cc1[nH]nc2c1C[C@@H](C(C)(C)C)CC2 ZINC000725265454 538093409 /nfs/dbraw/zinc/09/34/09/538093409.db2.gz FLRCBOALBINLIP-NSHDSACASA-N 0 1 234.387 3.759 10 0 BHAEMN CCCCc1[nH]nc2c1C[C@H](C(C)(C)C)CC2 ZINC000725265679 538093780 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XOZFGGHGKHVIPK-AWEZNQCLSA-N 0 1 249.329 3.537 10 0 BHAEMN Fc1ccccc1[C@H]1CCOC2(CCCCC2)N1 ZINC000757153563 582539109 /nfs/dbraw/zinc/53/91/09/582539109.db2.gz XOZFGGHGKHVIPK-CQSZACIVSA-N 0 1 249.329 3.537 10 0 BHAEMN c1coc([C@H]2CCOC3(CCCCCCC3)N2)c1 ZINC000757154299 586430266 /nfs/dbraw/zinc/43/02/66/586430266.db2.gz ZTSPLTXLWCYALZ-CYBMUJFWSA-N 0 1 249.354 3.771 10 0 BHAEMN c1coc([C@@H]2CCOC3(CCCCCCC3)N2)c1 ZINC000757154300 586430247 /nfs/dbraw/zinc/43/02/47/586430247.db2.gz ZTSPLTXLWCYALZ-ZDUSSCGKSA-N 0 1 249.354 3.771 10 0 BHAEMN