smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)CN(CCCOC(C)C)C(C)C ZINC000159602748 345445953 /nfs/dbraw/zinc/44/59/53/345445953.db2.gz GWPLENFZUAJSCS-UHFFFAOYSA-N 0 1 231.336 1.685 20 70 BDIDMN CC(C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160102492 345798547 /nfs/dbraw/zinc/79/85/47/345798547.db2.gz BVXWVWGQQDGSDT-TXEJJXNPSA-N 0 1 224.348 1.776 20 70 BDIDMN CC1(NC(=O)C(F)(F)F)CCOCC1 ZINC000159474167 346421997 /nfs/dbraw/zinc/42/19/97/346421997.db2.gz DUOYCZDLXCJWQP-UHFFFAOYSA-N 0 1 211.183 1.234 20 70 BDIDMN CCc1nc(CN(C)[C@@H](C)c2ccncc2)n[nH]1 ZINC000159613666 346426435 /nfs/dbraw/zinc/42/64/35/346426435.db2.gz BVNRQVAVFVLEOU-JTQLQIEISA-N 0 1 245.330 1.955 20 70 BDIDMN CC(C)C[C@@H]1CCCN1Cc1nncn1C ZINC000160886395 323137598 /nfs/dbraw/zinc/13/75/98/323137598.db2.gz DPCKEXQSYWMTIM-NSHDSACASA-N 0 1 222.336 1.826 20 70 BDIDMN CCc1nnc(CN[C@@H](CCO)C(C)(C)C)[nH]1 ZINC000160546787 349170021 /nfs/dbraw/zinc/17/00/21/349170021.db2.gz XEAMOTVHERWITM-VIFPVBQESA-N 0 1 240.351 1.254 20 70 BDIDMN CCc1nc(CNC(C)(C)[C@H](C)O)cs1 ZINC000160602203 349267065 /nfs/dbraw/zinc/26/70/65/349267065.db2.gz KKHVRZLBXPLHCV-QMMMGPOBSA-N 0 1 228.361 1.955 20 70 BDIDMN Cc1nnc(CN2CC[C@@H]3CCCC[C@@H]32)n1C ZINC000159700499 384350602 /nfs/dbraw/zinc/35/06/02/384350602.db2.gz NWXQBEZXARWKBB-RYUDHWBXSA-N 0 1 234.347 1.888 20 70 BDIDMN C[C@H](CCO)CN[C@H](C)c1cscn1 ZINC000161215167 384924660 /nfs/dbraw/zinc/92/46/60/384924660.db2.gz YZUFXVHGALCPAY-RKDXNWHRSA-N 0 1 214.334 1.812 20 70 BDIDMN C[C@@H](CCO)CN[C@@H](C)c1cscn1 ZINC000161214764 384927417 /nfs/dbraw/zinc/92/74/17/384927417.db2.gz YZUFXVHGALCPAY-IUCAKERBSA-N 0 1 214.334 1.812 20 70 BDIDMN C[C@H](CCO)CN[C@@H](C)c1cscn1 ZINC000161214927 384929350 /nfs/dbraw/zinc/92/93/50/384929350.db2.gz YZUFXVHGALCPAY-BDAKNGLRSA-N 0 1 214.334 1.812 20 70 BDIDMN CCN(CCCO)Cc1cncs1 ZINC000161299254 385755406 /nfs/dbraw/zinc/75/54/06/385755406.db2.gz JYTQZSHLJFJJGZ-UHFFFAOYSA-N 0 1 200.307 1.347 20 70 BDIDMN CCC[C@@H](C)N1CCO[C@@H](C(=O)OC)C1 ZINC000218589228 388584064 /nfs/dbraw/zinc/58/40/64/388584064.db2.gz HEGUGJQLZZNVLG-NXEZZACHSA-N 0 1 215.293 1.049 20 70 BDIDMN CCc1nc(CNC(C)(C)[C@@H](C)O)cs1 ZINC000160602086 171984919 /nfs/dbraw/zinc/98/49/19/171984919.db2.gz KKHVRZLBXPLHCV-MRVPVSSYSA-N 0 1 228.361 1.955 20 70 BDIDMN CCc1nc(CN[C@H](C)c2ccncc2)n[nH]1 ZINC000160265797 171987720 /nfs/dbraw/zinc/98/77/20/171987720.db2.gz MRRPGFXZAZEERO-SECBINFHSA-N 0 1 231.303 1.613 20 70 BDIDMN NC(=O)[C@H]1CCCN1Cc1coc2ccccc12 ZINC000160319507 136218412 /nfs/dbraw/zinc/21/84/12/136218412.db2.gz LMBMDGYJRHKPPR-GFCCVEGCSA-N 0 1 244.294 1.883 20 70 BDIDMN CC(C)=CC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161461899 187301463 /nfs/dbraw/zinc/30/14/63/187301463.db2.gz AXUZLSWNFGYFAC-VIFPVBQESA-N 0 1 221.304 1.732 20 70 BDIDMN CCc1nc(CN(C)[C@@H](C)c2ccccn2)n[nH]1 ZINC000159616261 346427035 /nfs/dbraw/zinc/42/70/35/346427035.db2.gz RIYYCGPRVPUFOQ-JTQLQIEISA-N 0 1 245.330 1.955 20 70 BDIDMN CCCSCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160488481 348796067 /nfs/dbraw/zinc/79/60/67/348796067.db2.gz QVEREIUDJBTLFR-PHIMTYICSA-N 0 1 242.388 1.483 20 70 BDIDMN CC(C)[C@H](O)CN[C@H](C)c1cscn1 ZINC000161201608 188008151 /nfs/dbraw/zinc/00/81/51/188008151.db2.gz FSEKWBUFJIBTAJ-PSASIEDQSA-N 0 1 214.334 1.811 20 70 BDIDMN Cc1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160382764 356698619 /nfs/dbraw/zinc/69/86/19/356698619.db2.gz HKAKZVUEJXXOLM-BETUJISGSA-N 0 1 244.338 1.962 20 70 BDIDMN CCCC[C@H](C(=O)OC)N(CC)CCCO ZINC000160731267 361325736 /nfs/dbraw/zinc/32/57/36/361325736.db2.gz NMVJCRNTJHSCTP-LLVKDONJSA-N 0 1 231.336 1.423 20 70 BDIDMN CCC[C@@H](O)CN[C@@H](C)c1cscn1 ZINC000161195721 169409539 /nfs/dbraw/zinc/40/95/39/169409539.db2.gz QUUZGBFQRFLOCI-DTWKUNHWSA-N 0 1 214.334 1.955 20 70 BDIDMN CCCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161459240 384490391 /nfs/dbraw/zinc/49/03/91/384490391.db2.gz HZLCSGNSLBFYNX-QMMMGPOBSA-N 0 1 209.293 1.565 20 70 BDIDMN Cc1nn(C)c(C)c1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000161057396 385021664 /nfs/dbraw/zinc/02/16/64/385021664.db2.gz FVEUJQKTGJNXQE-LBPRGKRZSA-N 0 1 237.347 1.505 20 70 BDIDMN CCn1ccnc1CN1CCN(CC)CC1 ZINC000160669603 388082791 /nfs/dbraw/zinc/08/27/91/388082791.db2.gz ANVDATNBIIYBEY-UHFFFAOYSA-N 0 1 222.336 1.041 20 70 BDIDMN CCC[C@H](C)N1CCO[C@@H](C(=O)OC)C1 ZINC000218589299 388584090 /nfs/dbraw/zinc/58/40/90/388584090.db2.gz HEGUGJQLZZNVLG-VHSXEESVSA-N 0 1 215.293 1.049 20 70 BDIDMN C[C@H]1CCC[C@@H](CC(=O)N2CCNCC2)C1 ZINC000159404241 134773401 /nfs/dbraw/zinc/77/34/01/134773401.db2.gz VUFZEKYWJNXGHG-NWDGAFQWSA-N 0 1 224.348 1.635 20 70 BDIDMN CN(C)CC(=O)N1CCC(OC(C)(C)C)CC1 ZINC000160914931 323139155 /nfs/dbraw/zinc/13/91/55/323139155.db2.gz PXYFEHKMMHPBLF-UHFFFAOYSA-N 0 1 242.363 1.354 20 70 BDIDMN CC[C@H](C)[N@@H+](C)CC[N-]C(=O)C(F)(F)F ZINC000217406778 592107549 /nfs/dbraw/zinc/10/75/49/592107549.db2.gz HXXFTJHXULNFSK-ZETCQYMHSA-N 0 1 226.242 1.395 20 70 BDIDMN CC[C@@H](CCO)NCc1ncc(Cl)n1C ZINC000217798269 592149518 /nfs/dbraw/zinc/14/95/18/592149518.db2.gz NMFKCJCHFHPQQY-QMMMGPOBSA-N 0 1 231.727 1.324 20 70 BDIDMN O=C(NC1CC=CC1)[C@@H]1CCCc2[nH]ncc21 ZINC000160883014 538913240 /nfs/dbraw/zinc/91/32/40/538913240.db2.gz IWFISISDEILTHH-SNVBAGLBSA-N 0 1 231.299 1.664 20 70 BDIDMN O=C(NC1CC=CC1)c1[nH]nc2c1CCCC2 ZINC000160985256 538913599 /nfs/dbraw/zinc/91/35/99/538913599.db2.gz ZBCYFGJSNKRNHU-UHFFFAOYSA-N 0 1 231.299 1.737 20 70 BDIDMN CCc1cc(=O)[n-]c(C[N@H+](C)[C@H](C)C2CC2)n1 ZINC000161012836 345526253 /nfs/dbraw/zinc/52/62/53/345526253.db2.gz YJNWLFZHMHAWFE-SECBINFHSA-N 0 1 235.331 1.975 20 70 BDIDMN CCc1cc(=O)[n-]c(C[N@@H+](C)[C@H](C)C2CC2)n1 ZINC000161012836 345526255 /nfs/dbraw/zinc/52/62/55/345526255.db2.gz YJNWLFZHMHAWFE-SECBINFHSA-N 0 1 235.331 1.975 20 70 BDIDMN Cc1ccc2c(c1)[C@H](NC(=O)CN(C)C)CO2 ZINC000160126619 345803264 /nfs/dbraw/zinc/80/32/64/345803264.db2.gz GVJDFJIYAOXWEB-LLVKDONJSA-N 0 1 234.299 1.106 20 70 BDIDMN CC[C@H](CSC)NCc1ncnn1C ZINC000217329773 346299341 /nfs/dbraw/zinc/29/93/41/346299341.db2.gz XDNFLULUMVXVPC-MRVPVSSYSA-N 0 1 214.338 1.046 20 70 BDIDMN Cn1cnnc1CN1CC[C@@H]2CCCC[C@@H]21 ZINC000160889445 346468825 /nfs/dbraw/zinc/46/88/25/346468825.db2.gz UXMZQFQWASUXDW-QWRGUYRKSA-N 0 1 220.320 1.580 20 70 BDIDMN O=C(c1ccco1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160583241 349259829 /nfs/dbraw/zinc/25/98/29/349259829.db2.gz UGCNYBSAMLZXBA-AOOOYVTPSA-N 0 1 220.272 1.246 20 70 BDIDMN C[N@H+](Cc1cnc2ccccn12)C[C@@H]1CCOC1 ZINC000160965775 349344623 /nfs/dbraw/zinc/34/46/23/349344623.db2.gz YAMYFHFFYWWNAG-LBPRGKRZSA-N 0 1 245.326 1.803 20 70 BDIDMN CC(C)C[C@H]1CCCN(C(=O)CN(C)C)C1 ZINC000161076533 351025797 /nfs/dbraw/zinc/02/57/97/351025797.db2.gz CTTGUBQORVZRJM-GFCCVEGCSA-N 0 1 226.364 1.833 20 70 BDIDMN CCOC(=O)[C@@H](CC)N(CC)CCCO ZINC000160727836 361325002 /nfs/dbraw/zinc/32/50/02/361325002.db2.gz JZRLOQMIIWVJFF-SNVBAGLBSA-N 0 1 217.309 1.032 20 70 BDIDMN O=C(NCC1(C2CC2)CC1)c1[nH]nc2c1CCC2 ZINC000159887854 182127859 /nfs/dbraw/zinc/12/78/59/182127859.db2.gz XFNGSTMFDQIXCB-UHFFFAOYSA-N 0 1 245.326 1.818 20 70 BDIDMN CCC[N@@H+](CC)CCNC(=O)CCC(C)=O ZINC000217917475 134250962 /nfs/dbraw/zinc/25/09/62/134250962.db2.gz VTGZFBCRYLJHCZ-UHFFFAOYSA-N 0 1 228.336 1.204 20 70 BDIDMN CCOCCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161250784 170361331 /nfs/dbraw/zinc/36/13/31/170361331.db2.gz DOLPBFICVSBITN-VIFPVBQESA-N 0 1 239.319 1.192 20 70 BDIDMN CCOCCC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161250880 170362438 /nfs/dbraw/zinc/36/24/38/170362438.db2.gz DOLPBFICVSBITN-SECBINFHSA-N 0 1 239.319 1.192 20 70 BDIDMN C[C@H]1CCC[C@H](N(C)Cc2nncn2C)C1 ZINC000160776258 323134776 /nfs/dbraw/zinc/13/47/76/323134776.db2.gz CUPNGMCIKXFNBR-QWRGUYRKSA-N 0 1 222.336 1.826 20 70 BDIDMN NC(=O)[C@@H](NC1CC=CC1)c1ccc(F)cc1 ZINC000160893146 538913342 /nfs/dbraw/zinc/91/33/42/538913342.db2.gz XCBJDTMQXUIQQI-LBPRGKRZSA-N 0 1 234.274 1.660 20 70 BDIDMN Cc1cc(C[C@@H](C)NC(=O)c2cocn2)n[nH]1 ZINC000161416325 178054452 /nfs/dbraw/zinc/05/44/52/178054452.db2.gz LWNVDQMMGCGWKV-SSDOTTSWSA-N 0 1 234.259 1.067 20 70 BDIDMN CCC[C@@H]1CN(Cc2n[nH]c(CC)n2)CCO1 ZINC000159574756 345443969 /nfs/dbraw/zinc/44/39/69/345443969.db2.gz CCYITMBKBYWUBX-SNVBAGLBSA-N 0 1 238.335 1.368 20 70 BDIDMN CCc1nc(CN[C@H](CO)c2ccccc2)n[nH]1 ZINC000160287802 346446808 /nfs/dbraw/zinc/44/68/08/346446808.db2.gz OCYQKIYAJUGODN-LLVKDONJSA-N 0 1 246.314 1.190 20 70 BDIDMN C[C@@H]1CN(C(=O)c2ccccc2N)C[C@H](C)N1 ZINC000161276467 349414186 /nfs/dbraw/zinc/41/41/86/349414186.db2.gz NLQLOPFUNBQNEK-AOOOYVTPSA-N 0 1 233.315 1.091 20 70 BDIDMN CC[C@@H](O)CCNCc1ncc(Cl)n1C ZINC000218772936 363132325 /nfs/dbraw/zinc/13/23/25/363132325.db2.gz MREPSQJAJLCVMW-MRVPVSSYSA-N 0 1 231.727 1.324 20 70 BDIDMN C[C@H]1CN(C)CCN1Cc1cccnc1 ZINC000217120833 357046817 /nfs/dbraw/zinc/04/68/17/357046817.db2.gz QRCNTSKNCDPAPM-NSHDSACASA-N 0 1 205.305 1.218 20 70 BDIDMN Cc1[nH]ncc1C(=O)Nc1ccc(C)nc1 ZINC000160715377 538889432 /nfs/dbraw/zinc/88/94/32/538889432.db2.gz MEHISUSQOJUIPK-UHFFFAOYSA-N 0 1 216.244 1.674 20 70 BDIDMN O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCCO1 ZINC000160956952 182362454 /nfs/dbraw/zinc/36/24/54/182362454.db2.gz QEGDDSPLBIVCRK-JTQLQIEISA-N 0 1 232.243 1.075 20 70 BDIDMN CCC[C@@H](C(=O)Nc1nnc(C)s1)N(C)C ZINC000159613675 169346334 /nfs/dbraw/zinc/34/63/34/169346334.db2.gz FTMWNKOVQGJIAS-QMMMGPOBSA-N 0 1 242.348 1.515 20 70 BDIDMN C[C@H](CCCO)N[C@@H](C)c1cscn1 ZINC000161222531 384934296 /nfs/dbraw/zinc/93/42/96/384934296.db2.gz BWYOIKVKEKMLKH-BDAKNGLRSA-N 0 1 214.334 1.955 20 70 BDIDMN CC[C@H](CCO)N[C@@H](C)c1cscn1 ZINC000161208626 387149985 /nfs/dbraw/zinc/14/99/85/387149985.db2.gz PUJLESAMQLLVNF-DTWKUNHWSA-N 0 1 214.334 1.955 20 70 BDIDMN CC(C)n1ccnc1CN1CCN(C2CC2)CC1 ZINC000160861675 388095221 /nfs/dbraw/zinc/09/52/21/388095221.db2.gz NFVJIKHLHQDSRO-UHFFFAOYSA-N 0 1 248.374 1.744 20 70 BDIDMN C/C(=C/C(=O)N1CCNCC1)c1cccc(F)c1 ZINC000159451987 166231324 /nfs/dbraw/zinc/23/13/24/166231324.db2.gz KPNWFOYQTRVVRX-LUAWRHEFSA-N 0 1 248.301 1.661 20 70 BDIDMN c1nn[n-]c1C[NH2+]CC1C2CC3CC(C2)CC1C3 ZINC000216850194 411227206 /nfs/dbraw/zinc/22/72/06/411227206.db2.gz OGGMTHHITSNVKI-UHFFFAOYSA-N 0 1 246.358 1.967 20 70 BDIDMN C[C@@H](O)C(C)(C)NCc1nccs1 ZINC000160596349 584532432 /nfs/dbraw/zinc/53/24/32/584532432.db2.gz IETWKVVKHCVJBB-SSDOTTSWSA-N 0 1 200.307 1.392 20 70 BDIDMN C[C@@H]1CCC[C@@H](CC(=O)N2CCNCC2)C1 ZINC000159404111 345431881 /nfs/dbraw/zinc/43/18/81/345431881.db2.gz VUFZEKYWJNXGHG-VXGBXAGGSA-N 0 1 224.348 1.635 20 70 BDIDMN C[C@H]1CN(c2ncccn2)C[C@H](C)N1C ZINC000217030167 345744421 /nfs/dbraw/zinc/74/44/21/345744421.db2.gz TYLSXOKNYOFXJD-UWVGGRQHSA-N 0 1 206.293 1.005 20 70 BDIDMN CC[C@H](C)N1CCN(C(=O)N2CCCC2)CC1 ZINC000160518734 538111550 /nfs/dbraw/zinc/11/15/50/538111550.db2.gz IWGQBTBZROPYLB-LBPRGKRZSA-N 0 1 239.363 1.618 20 70 BDIDMN CCSCCN1CCNC(=O)[C@@H]1C(C)C ZINC000160449990 384412450 /nfs/dbraw/zinc/41/24/50/384412450.db2.gz PIDMZQHFDLCTAB-JTQLQIEISA-N 0 1 230.377 1.196 20 70 BDIDMN CN(C)CC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000160600910 384422232 /nfs/dbraw/zinc/42/22/32/384422232.db2.gz AABCADPDKSMKLZ-XBFCOCLRSA-N 0 1 230.311 1.003 20 70 BDIDMN Cc1ccc(NC(=O)CN)cc1OC(F)F ZINC000160091617 384386135 /nfs/dbraw/zinc/38/61/35/384386135.db2.gz FRJMZFIBGRDWFU-UHFFFAOYSA-N 0 1 230.214 1.494 20 70 BDIDMN CCCCOCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160305043 384744995 /nfs/dbraw/zinc/74/49/95/384744995.db2.gz XINNIPGDUXVHNQ-TXEJJXNPSA-N 0 1 240.347 1.156 20 70 BDIDMN Cc1cc(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)o1 ZINC000160235747 386801659 /nfs/dbraw/zinc/80/16/59/386801659.db2.gz MXPINNNYHFTDAR-TXEJJXNPSA-N 0 1 248.326 1.863 20 70 BDIDMN CC[C@H](C(N)=O)N(C)Cc1cccc(N(C)C)c1 ZINC000159825401 171243929 /nfs/dbraw/zinc/24/39/29/171243929.db2.gz DWTLZRDGVSZMRT-CYBMUJFWSA-N 0 1 249.358 1.448 20 70 BDIDMN C[C@H](C(N)=O)N(C)Cc1cccc(N(C)C)c1 ZINC000159815789 323049354 /nfs/dbraw/zinc/04/93/54/323049354.db2.gz ZIEIDAKDZLFHLT-SNVBAGLBSA-N 0 1 235.331 1.058 20 70 BDIDMN 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221.304 1.586 20 70 BDIDMN CCc1cc(=O)[n-]c(C[N@@H+](C)CC2CC2)n1 ZINC000160911431 384445301 /nfs/dbraw/zinc/44/53/01/384445301.db2.gz JXQWARKNVXLRMT-UHFFFAOYSA-N 0 1 221.304 1.586 20 70 BDIDMN CCc1ccccc1C(=O)N(C)Cc1nnc[nH]1 ZINC000160712922 384430794 /nfs/dbraw/zinc/43/07/94/384430794.db2.gz DSHVZHAVABINPG-UHFFFAOYSA-N 0 1 244.298 1.639 20 70 BDIDMN CC(C)[C@@H](O)CN[C@H](C)c1cscn1 ZINC000161201716 384917724 /nfs/dbraw/zinc/91/77/24/384917724.db2.gz FSEKWBUFJIBTAJ-SCZZXKLOSA-N 0 1 214.334 1.811 20 70 BDIDMN C[C@@H](N[C@@H](C)CCCO)c1cscn1 ZINC000161222656 384933995 /nfs/dbraw/zinc/93/39/95/384933995.db2.gz BWYOIKVKEKMLKH-DTWKUNHWSA-N 0 1 214.334 1.955 20 70 BDIDMN CCCC1(CNC(=O)c2cnn[nH]2)CC1 ZINC000160534036 388073382 /nfs/dbraw/zinc/07/33/82/388073382.db2.gz VTWWXTSMYKJXAL-UHFFFAOYSA-N 0 1 208.265 1.115 20 70 BDIDMN CC[C@](C)(O)CN1CCN(CC(F)F)CC1 ZINC000160738022 388087335 /nfs/dbraw/zinc/08/73/35/388087335.db2.gz CGZNHHXJKWCWKX-NSHDSACASA-N 0 1 236.306 1.030 20 70 BDIDMN CC1(C)C[C@H]1C(=O)N1CCN(CC2CC2)CC1 ZINC000159527644 323035723 /nfs/dbraw/zinc/03/57/23/323035723.db2.gz UDJHXCYHQVJHSD-LBPRGKRZSA-N 0 1 236.359 1.587 20 70 BDIDMN C[C@@H]1C(=O)NCC[N@@H+]1CCC1CCCC1 ZINC000160354825 323065375 /nfs/dbraw/zinc/06/53/75/323065375.db2.gz WULJQHRYHFIKRW-SNVBAGLBSA-N 0 1 210.321 1.387 20 70 BDIDMN C[C@@H]1C(=O)NCCN1CCC1CCCC1 ZINC000160354825 323065376 /nfs/dbraw/zinc/06/53/76/323065376.db2.gz WULJQHRYHFIKRW-SNVBAGLBSA-N 0 1 210.321 1.387 20 70 BDIDMN CCCC1(CNC(=O)[C@@H]2CCCN2C)CC1 ZINC000160657594 323076387 /nfs/dbraw/zinc/07/63/87/323076387.db2.gz LQMYLRFVKIDCCY-NSHDSACASA-N 0 1 224.348 1.777 20 70 BDIDMN Cn1cnnc1CN1CC[C@@H](c2ccccc2)C1 ZINC000160875286 323137765 /nfs/dbraw/zinc/13/77/65/323137765.db2.gz MFVJRSSGIOXWPO-CYBMUJFWSA-N 0 1 242.326 1.805 20 70 BDIDMN CSCCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159438120 345435466 /nfs/dbraw/zinc/43/54/66/345435466.db2.gz AXWLRNPGVNMFJY-PHIMTYICSA-N 0 1 242.388 1.483 20 70 BDIDMN C[C@@H]1C[C@H](C)CN(Cc2nncn2C)C1 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210.321 1.245 20 70 BDIDMN CN(Cc1cncn1C)C[C@H]1CCC[C@@H]1O ZINC000159479291 388016929 /nfs/dbraw/zinc/01/69/29/388016929.db2.gz KCPBPEUQHOTOTG-PWSUYJOCSA-N 0 1 223.320 1.013 20 70 BDIDMN COC[C@H](NCCC(C)(C)O)c1ccco1 ZINC000159668637 388026011 /nfs/dbraw/zinc/02/60/11/388026011.db2.gz HKSBAMUNIKZWCH-JTQLQIEISA-N 0 1 227.304 1.718 20 70 BDIDMN CC(C)S(=O)(=O)CCCN1CCCC1 ZINC000160466262 388068589 /nfs/dbraw/zinc/06/85/89/388068589.db2.gz BTZRYBWEZRVVPM-UHFFFAOYSA-N 0 1 219.350 1.296 20 70 BDIDMN c1cncc(OCc2nc([C@H]3CCCN3)no2)c1 ZINC000217829015 411555087 /nfs/dbraw/zinc/55/50/87/411555087.db2.gz JYHPLIJTCQJROI-SNVBAGLBSA-N 0 1 246.270 1.468 20 70 BDIDMN CCOCCN(C)Cc1cc(O)cc(F)c1 ZINC000159848379 170390758 /nfs/dbraw/zinc/39/07/58/170390758.db2.gz QPSVXUIHARODAM-UHFFFAOYSA-N 0 1 227.279 2.000 20 70 BDIDMN CC[C@H]1CCC[C@@H]1NC(=O)Cc1cc(C)n[nH]1 ZINC000159705082 171624962 /nfs/dbraw/zinc/62/49/62/171624962.db2.gz LEMILMURLJDYQB-JQWIXIFHSA-N 0 1 235.331 1.956 20 70 BDIDMN CCn1ccnc1CN[C@]1(C)CCOC1 ZINC000160186751 323062880 /nfs/dbraw/zinc/06/28/80/323062880.db2.gz UESCJSJMZMCXOZ-LLVKDONJSA-N 0 1 209.293 1.172 20 70 BDIDMN C[C@@H]1CCCCN1CCCCS(C)(=O)=O ZINC000161096384 538914162 /nfs/dbraw/zinc/91/41/62/538914162.db2.gz BZRNXDUUDJZARM-LLVKDONJSA-N 0 1 233.377 1.686 20 70 BDIDMN Cc1cc(C[C@H](C)NC(=O)CC2CCC2)n[nH]1 ZINC000161241214 178056909 /nfs/dbraw/zinc/05/69/09/178056909.db2.gz VASOXYVDKANPRH-VIFPVBQESA-N 0 1 235.331 1.956 20 70 BDIDMN C[C@H]1CCC[C@H](CC(=O)N2CCNCC2)C1 ZINC000159403979 345431895 /nfs/dbraw/zinc/43/18/95/345431895.db2.gz VUFZEKYWJNXGHG-RYUDHWBXSA-N 0 1 224.348 1.635 20 70 BDIDMN CCc1nc(CN2CCC[C@H]2C[C@@H](C)O)n[nH]1 ZINC000159481713 345436914 /nfs/dbraw/zinc/43/69/14/345436914.db2.gz NYSVRZQWRIDSPZ-ZJUUUORDSA-N 0 1 238.335 1.102 20 70 BDIDMN C[C@@H](O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000159368338 384326692 /nfs/dbraw/zinc/32/66/92/384326692.db2.gz UWWKNYNXBYYUTH-DGCLKSJQSA-N 0 1 248.326 1.105 20 70 BDIDMN COC[C@H](C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161288284 384478568 /nfs/dbraw/zinc/47/85/68/384478568.db2.gz ARUHKDBDCILCCA-DTWKUNHWSA-N 0 1 239.319 1.048 20 70 BDIDMN Cc1csc(CNC(C)(C)[C@@H](C)O)n1 ZINC000160602326 385678066 /nfs/dbraw/zinc/67/80/66/385678066.db2.gz RUZQFADDSXCYNV-MRVPVSSYSA-N 0 1 214.334 1.701 20 70 BDIDMN O=C(c1cncc(F)c1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160158136 386149856 /nfs/dbraw/zinc/14/98/56/386149856.db2.gz SCPIAJKKGQNYST-TXEJJXNPSA-N 0 1 249.289 1.187 20 70 BDIDMN C[C@@H](O)C(C)(C)NCc1cscn1 ZINC000160621317 388078907 /nfs/dbraw/zinc/07/89/07/388078907.db2.gz RSRBLNCBUKWJRG-SSDOTTSWSA-N 0 1 200.307 1.392 20 70 BDIDMN CC[C@@H]1CCC[C@H]1NC(=O)c1cnn[nH]1 ZINC000159719887 171000068 /nfs/dbraw/zinc/00/00/68/171000068.db2.gz GJTIVJZQAHSZIY-HTQZYQBOSA-N 0 1 208.265 1.113 20 70 BDIDMN CC[C@H](CCO)NCc1ncc(Cl)n1C ZINC000217798359 592149017 /nfs/dbraw/zinc/14/90/17/592149017.db2.gz NMFKCJCHFHPQQY-MRVPVSSYSA-N 0 1 231.727 1.324 20 70 BDIDMN C[C@@H](CCO)NCc1occc1Br ZINC000217820178 592149604 /nfs/dbraw/zinc/14/96/04/592149604.db2.gz PZXIKHATXDHKEI-ZETCQYMHSA-N 0 1 248.120 1.903 20 70 BDIDMN Cc1cc(C[C@@H](C)NC(=O)C2CC=CC2)n[nH]1 ZINC000161071760 178054340 /nfs/dbraw/zinc/05/43/40/178054340.db2.gz VIFGGTBOJKDGEB-SECBINFHSA-N 0 1 233.315 1.732 20 70 BDIDMN Cc1cc(C[C@H](C)NC(=O)C2CCCC2)n[nH]1 ZINC000161330648 178056721 /nfs/dbraw/zinc/05/67/21/178056721.db2.gz UTGDCURPNQALQH-VIFPVBQESA-N 0 1 235.331 1.956 20 70 BDIDMN CC1(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)CCC1 ZINC000160237562 398343508 /nfs/dbraw/zinc/34/35/08/398343508.db2.gz HBWIDLZTDABIFV-PHIMTYICSA-N 0 1 222.332 1.530 20 70 BDIDMN CCc1nc(CN(C)CCC2CC2)n[nH]1 ZINC000159426198 345433602 /nfs/dbraw/zinc/43/36/02/345433602.db2.gz BTOQTFIRLGKNJS-UHFFFAOYSA-N 0 1 208.309 1.599 20 70 BDIDMN CCc1nc(CN[C@H](C)c2cccnc2)n[nH]1 ZINC000160276585 361302788 /nfs/dbraw/zinc/30/27/88/361302788.db2.gz QDDHMPRNFUTVLQ-SECBINFHSA-N 0 1 231.303 1.613 20 70 BDIDMN CCCC[C@H](C(=O)OC)N1CC[C@H](CO)C1 ZINC000160803812 361327808 /nfs/dbraw/zinc/32/78/08/361327808.db2.gz UHXZWZQAONGDGV-WDEREUQCSA-N 0 1 229.320 1.032 20 70 BDIDMN CC(C)N(C)C(=O)c1cccc(-c2nnc[nH]2)c1 ZINC000159364182 384324938 /nfs/dbraw/zinc/32/49/38/384324938.db2.gz OXEWYSHSTRWJHN-UHFFFAOYSA-N 0 1 244.298 1.952 20 70 BDIDMN COC[C@@H](C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161288635 384479794 /nfs/dbraw/zinc/47/97/94/384479794.db2.gz ARUHKDBDCILCCA-BDAKNGLRSA-N 0 1 239.319 1.048 20 70 BDIDMN CS[C@@H](C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161507155 384497446 /nfs/dbraw/zinc/49/74/46/384497446.db2.gz AYPZCOHXJQPJDF-APPZFPTMSA-N 0 1 241.360 1.517 20 70 BDIDMN CCC[C@H](C)C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160359376 385555398 /nfs/dbraw/zinc/55/53/98/385555398.db2.gz BSWUPDDERDFCCP-SDDRHHMPSA-N 0 1 224.348 1.776 20 70 BDIDMN C[C@@H](Nc1ncnc2[nH]cnc21)C1CCC1 ZINC000160061616 387041528 /nfs/dbraw/zinc/04/15/28/387041528.db2.gz OPQMCAJNWCOERF-SSDOTTSWSA-N 0 1 217.276 1.953 20 70 BDIDMN C[C@@H]1CN(CCOCC2CC2)CC(C)(C)O1 ZINC000159665115 388025847 /nfs/dbraw/zinc/02/58/47/388025847.db2.gz HABHEFRSOVVEQJ-LLVKDONJSA-N 0 1 227.348 1.912 20 70 BDIDMN CCSCCN1CCOCC1(C)C ZINC000159519914 388019869 /nfs/dbraw/zinc/01/98/69/388019869.db2.gz KFZAOLOBFLFTQO-UHFFFAOYSA-N 0 1 203.351 1.850 20 70 BDIDMN COc1cccc(CN2CC[C@H](O)[C@@H](C)C2)n1 ZINC000159442298 397946506 /nfs/dbraw/zinc/94/65/06/397946506.db2.gz QVRXHUYZAQXFME-JQWIXIFHSA-N 0 1 236.315 1.293 20 70 BDIDMN CC[C@H](O)CCNCc1ncc(Cl)n1C ZINC000218773006 398089877 /nfs/dbraw/zinc/08/98/77/398089877.db2.gz MREPSQJAJLCVMW-QMMMGPOBSA-N 0 1 231.727 1.324 20 70 BDIDMN CCn1ccnc1CNC(C)(C)[C@@H](C)O ZINC000160607488 323073662 /nfs/dbraw/zinc/07/36/62/323073662.db2.gz DRRYZZHQUZIIQH-SECBINFHSA-N 0 1 211.309 1.152 20 70 BDIDMN C[C@H]1CCC[C@@H](N(C)Cc2nncn2C)C1 ZINC000160776498 323134699 /nfs/dbraw/zinc/13/46/99/323134699.db2.gz CUPNGMCIKXFNBR-WDEREUQCSA-N 0 1 222.336 1.826 20 70 BDIDMN C[C@@H]1CCC[C@H](N(C)Cc2nncn2C)C1 ZINC000160776137 323134715 /nfs/dbraw/zinc/13/47/15/323134715.db2.gz CUPNGMCIKXFNBR-MNOVXSKESA-N 0 1 222.336 1.826 20 70 BDIDMN O=C(NC1CC=CC1)[C@H]1CCCc2[nH]ncc21 ZINC000160882872 538913230 /nfs/dbraw/zinc/91/32/30/538913230.db2.gz IWFISISDEILTHH-JTQLQIEISA-N 0 1 231.299 1.664 20 70 BDIDMN CCCN(CCOCC1CC1)CC(=O)N(C)C ZINC000159497377 345438251 /nfs/dbraw/zinc/43/82/51/345438251.db2.gz RYSGESNAOKTYFR-UHFFFAOYSA-N 0 1 242.363 1.213 20 70 BDIDMN CN(Cc1cnc2ccccn12)C[C@H]1CCCO1 ZINC000159577989 345444566 /nfs/dbraw/zinc/44/45/66/345444566.db2.gz PRYXEXPBLICVJD-CYBMUJFWSA-N 0 1 245.326 1.945 20 70 BDIDMN CCc1nc(CN(C)[C@H](CC)CSC)n[nH]1 ZINC000160254897 345846150 /nfs/dbraw/zinc/84/61/50/345846150.db2.gz FAZPZEQAGLOEDT-SECBINFHSA-N 0 1 242.392 1.941 20 70 BDIDMN CCc1nc(CN(C)[C@@H](C)c2cccnc2)n[nH]1 ZINC000159615008 346427059 /nfs/dbraw/zinc/42/70/59/346427059.db2.gz BBRNCYADBIEJHH-JTQLQIEISA-N 0 1 245.330 1.955 20 70 BDIDMN OCC1(NCc2ccc(Cl)o2)CC1 ZINC000159653879 361277514 /nfs/dbraw/zinc/27/75/14/361277514.db2.gz ILMRUUHVBCOXSM-UHFFFAOYSA-N 0 1 201.653 1.548 20 70 BDIDMN COC[C@@H](N)C(=O)N(Cc1ccccc1)C1CC1 ZINC000159620418 361270236 /nfs/dbraw/zinc/27/02/36/361270236.db2.gz FFKMRVRRLQKCFI-CYBMUJFWSA-N 0 1 248.326 1.151 20 70 BDIDMN CC[C@@H](NC(=O)c1cnn[nH]1)c1c(C)noc1C ZINC000160348638 387082173 /nfs/dbraw/zinc/08/21/73/387082173.db2.gz SIKGFPKSIAQAAR-MRVPVSSYSA-N 0 1 249.274 1.291 20 70 BDIDMN C[C@@H]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000159410585 388013717 /nfs/dbraw/zinc/01/37/17/388013717.db2.gz UHSQMJPCOWNLBD-MNOVXSKESA-N 0 1 210.321 1.245 20 70 BDIDMN Cc1cc(C[C@H](C)NC(=O)[C@H]2C[C@@H]2C2CC2)n[nH]1 ZINC000161309350 388469865 /nfs/dbraw/zinc/46/98/65/388469865.db2.gz XNLJSDFJRYMHGD-CKLFPEKLSA-N 0 1 247.342 1.811 20 70 BDIDMN CC[C@@](C)(O)CN[C@@H](C)c1cscn1 ZINC000161192534 171183771 /nfs/dbraw/zinc/18/37/71/171183771.db2.gz OHPFCUUXPQBFDY-WCBMZHEXSA-N 0 1 214.334 1.955 20 70 BDIDMN COC[C@@H](NCCC(C)(C)O)c1ccco1 ZINC000159668766 174481958 /nfs/dbraw/zinc/48/19/58/174481958.db2.gz HKSBAMUNIKZWCH-SNVBAGLBSA-N 0 1 227.304 1.718 20 70 BDIDMN Cc1cc[nH+]c(N[C@@H]2CCCN(C(=O)[O-])C2)c1 ZINC000217887871 592149931 /nfs/dbraw/zinc/14/99/31/592149931.db2.gz QORADLZUKCAFIW-SNVBAGLBSA-N 0 1 235.287 1.944 20 70 BDIDMN Cc1cc(C[C@H](C)NC(=O)C2CC=CC2)n[nH]1 ZINC000161071882 178056901 /nfs/dbraw/zinc/05/69/01/178056901.db2.gz VIFGGTBOJKDGEB-VIFPVBQESA-N 0 1 233.315 1.732 20 70 BDIDMN CCn1ccnc1CNC(C)(C)[C@H](C)O ZINC000160607626 323073592 /nfs/dbraw/zinc/07/35/92/323073592.db2.gz DRRYZZHQUZIIQH-VIFPVBQESA-N 0 1 211.309 1.152 20 70 BDIDMN CC(C)N(C(=O)[C@H](C)N(C)C[C@@H](C)O)C(C)C ZINC000159392139 345429950 /nfs/dbraw/zinc/42/99/50/345429950.db2.gz JBNBHKJVZJSDNU-NEPJUHHUSA-N 0 1 244.379 1.333 20 70 BDIDMN CC(C)(C)CC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159888706 345587701 /nfs/dbraw/zinc/58/77/01/345587701.db2.gz UXJYRKUWLUTXKL-PHIMTYICSA-N 0 1 224.348 1.776 20 70 BDIDMN CC[C@@H](CCO)N[C@H](C)c1cscn1 ZINC000161208768 349398187 /nfs/dbraw/zinc/39/81/87/349398187.db2.gz PUJLESAMQLLVNF-BDAKNGLRSA-N 0 1 214.334 1.955 20 70 BDIDMN CCCN(CCSCC)CC(=O)N(C)C ZINC000159497860 350776975 /nfs/dbraw/zinc/77/69/75/350776975.db2.gz KNMJNLQZQHEVSW-UHFFFAOYSA-N 0 1 232.393 1.540 20 70 BDIDMN CC(C)=CC(=O)N[C@H](C)Cc1cc(C)[nH]n1 ZINC000161461763 384493478 /nfs/dbraw/zinc/49/34/78/384493478.db2.gz AXUZLSWNFGYFAC-SECBINFHSA-N 0 1 221.304 1.732 20 70 BDIDMN C[C@@H](NCC1(C)COC1)c1cscn1 ZINC000161197464 384910944 /nfs/dbraw/zinc/91/09/44/384910944.db2.gz BRTWZAPTNFIKFE-MRVPVSSYSA-N 0 1 212.318 1.830 20 70 BDIDMN COCCN1CCC([C@H](O)C(F)(F)F)CC1 ZINC000161214056 387147787 /nfs/dbraw/zinc/14/77/87/387147787.db2.gz GDKQADOGTQMXQM-VIFPVBQESA-N 0 1 241.253 1.268 20 70 BDIDMN CN(Cc1cncn1C)C[C@@H]1CCC[C@@H]1O ZINC000159479156 388016469 /nfs/dbraw/zinc/01/64/69/388016469.db2.gz KCPBPEUQHOTOTG-JQWIXIFHSA-N 0 1 223.320 1.013 20 70 BDIDMN CN1CCN(Cc2cc(O)cc(F)c2)CC1 ZINC000159812884 173087976 /nfs/dbraw/zinc/08/79/76/173087976.db2.gz PBRGFFABHYMVGJ-UHFFFAOYSA-N 0 1 224.279 1.279 20 70 BDIDMN C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccsc1 ZINC000159684340 323043705 /nfs/dbraw/zinc/04/37/05/323043705.db2.gz BMSQTWWPSPBULW-KOLCDFICSA-N 0 1 238.356 1.834 20 70 BDIDMN Cc1nc2ccccn2c1CN(C)[C@@H]1CCOC1 ZINC000160221819 323064283 /nfs/dbraw/zinc/06/42/83/323064283.db2.gz JLNMZDRBOHKLCV-GFCCVEGCSA-N 0 1 245.326 1.863 20 70 BDIDMN CCSCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000218008588 535684616 /nfs/dbraw/zinc/68/46/16/535684616.db2.gz SYDQDMQPOCJIPQ-AOOOYVTPSA-N 0 1 201.335 1.603 20 70 BDIDMN Cc1cc(CC(=O)NC2CC=CC2)[nH]n1 ZINC000160764295 538906140 /nfs/dbraw/zinc/90/61/40/538906140.db2.gz KUUBNMJHXDAQDM-UHFFFAOYSA-N 0 1 205.261 1.095 20 70 BDIDMN Cc1cc(C[C@@H](C)NC(=O)C2(C)CC2)n[nH]1 ZINC000161110724 178055299 /nfs/dbraw/zinc/05/52/99/178055299.db2.gz DYMIITXKZIXFTF-MRVPVSSYSA-N 0 1 221.304 1.565 20 70 BDIDMN Cc1cc(C[C@H](C)NC(=O)c2cocn2)n[nH]1 ZINC000161416433 178057062 /nfs/dbraw/zinc/05/70/62/178057062.db2.gz LWNVDQMMGCGWKV-ZETCQYMHSA-N 0 1 234.259 1.067 20 70 BDIDMN O=C(CCC1CCC1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159448055 345434326 /nfs/dbraw/zinc/43/43/26/345434326.db2.gz UUPQWNNQQYSUEQ-BETUJISGSA-N 0 1 236.359 1.920 20 70 BDIDMN CCCCCN1CCN(C(=O)OC)CC1 ZINC000218117537 345745272 /nfs/dbraw/zinc/74/52/72/345745272.db2.gz NOORTXSTMCJVIW-UHFFFAOYSA-N 0 1 214.309 1.561 20 70 BDIDMN C[C@@H](O)CCN[C@H](C)c1cscn1 ZINC000161200215 323323222 /nfs/dbraw/zinc/32/32/22/323323222.db2.gz BOSZSOLVHVRBSR-HTQZYQBOSA-N 0 1 200.307 1.565 20 70 BDIDMN Cc1noc(C)c1C(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160727072 357518374 /nfs/dbraw/zinc/51/83/74/357518374.db2.gz BFUUZCFQSJQKGB-PHIMTYICSA-N 0 1 249.314 1.258 20 70 BDIDMN CC(C)(O)CNC(=O)c1cccc2nc[nH]c21 ZINC000159752395 384354065 /nfs/dbraw/zinc/35/40/65/384354065.db2.gz KUAFUWBJZBJPBA-UHFFFAOYSA-N 0 1 233.271 1.064 20 70 BDIDMN COC[C@H](C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1 ZINC000161288398 384481147 /nfs/dbraw/zinc/48/11/47/384481147.db2.gz ARUHKDBDCILCCA-IUCAKERBSA-N 0 1 239.319 1.048 20 70 BDIDMN CCc1nc(CN2CCOC3(CCC3)C2)n[nH]1 ZINC000160189018 384656087 /nfs/dbraw/zinc/65/60/87/384656087.db2.gz XRNWVHJJLNZAMF-UHFFFAOYSA-N 0 1 236.319 1.122 20 70 BDIDMN CC[C@H](O)CCN[C@@H](C)c1cscn1 ZINC000161226956 385750762 /nfs/dbraw/zinc/75/07/62/385750762.db2.gz XMKVYTNIPOYFRF-IUCAKERBSA-N 0 1 214.334 1.955 20 70 BDIDMN CCC[C@H](O)CN[C@@H](C)c1cscn1 ZINC000161195581 385939614 /nfs/dbraw/zinc/93/96/14/385939614.db2.gz QUUZGBFQRFLOCI-IUCAKERBSA-N 0 1 214.334 1.955 20 70 BDIDMN C[C@H]1CCC[C@H](C(=O)N2CCNCC2)C1 ZINC000159410750 388013003 /nfs/dbraw/zinc/01/30/03/388013003.db2.gz UHSQMJPCOWNLBD-QWRGUYRKSA-N 0 1 210.321 1.245 20 70 BDIDMN Cc1cc(CN2CCC[C@@](C)(O)C2)on1 ZINC000160997918 388108586 /nfs/dbraw/zinc/10/85/86/388108586.db2.gz DUEBZNRPVGHRAV-LLVKDONJSA-N 0 1 210.277 1.330 20 70 BDIDMN CC[C@@H](C)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000160517284 133508051 /nfs/dbraw/zinc/50/80/51/133508051.db2.gz SENNSJHJUPZTAC-LLVKDONJSA-N 0 1 241.379 1.911 20 70 BDIDMN COCCN(C)Cc1cc(O)cc(F)c1 ZINC000159832882 174281348 /nfs/dbraw/zinc/28/13/48/174281348.db2.gz OQUNICPOJDOTIS-UHFFFAOYSA-N 0 1 213.252 1.610 20 70 BDIDMN C[C@@H](O)CCN[C@@H](C)c1cscn1 ZINC000161199965 323037665 /nfs/dbraw/zinc/03/76/65/323037665.db2.gz BOSZSOLVHVRBSR-SFYZADRCSA-N 0 1 200.307 1.565 20 70 BDIDMN CN(Cc1cnc2ccccn12)[C@@H]1CCOC1 ZINC000160221510 323064316 /nfs/dbraw/zinc/06/43/16/323064316.db2.gz KXJSGMBKMMJCMG-LLVKDONJSA-N 0 1 231.299 1.555 20 70 BDIDMN NC(=O)[C@@H]1CCCN1Cc1coc2ccccc12 ZINC000160319631 323064733 /nfs/dbraw/zinc/06/47/33/323064733.db2.gz LMBMDGYJRHKPPR-LBPRGKRZSA-N 0 1 244.294 1.883 20 70 BDIDMN CC[C@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N(C)C ZINC000160521357 323069844 /nfs/dbraw/zinc/06/98/44/323069844.db2.gz NUTZWGQDVQRAAH-QWRGUYRKSA-N 0 1 214.353 1.831 20 70 BDIDMN CCCCNC(=O)N1CCN([C@@H](C)CC)CC1 ZINC000160517853 488141698 /nfs/dbraw/zinc/14/16/98/488141698.db2.gz BDDODDPMQKWXJV-LBPRGKRZSA-N 0 1 241.379 1.912 20 70 BDIDMN C[C@H](CCO)NCc1occc1Br ZINC000217820252 592149023 /nfs/dbraw/zinc/14/90/23/592149023.db2.gz PZXIKHATXDHKEI-SSDOTTSWSA-N 0 1 248.120 1.903 20 70 BDIDMN Cc1cc(C[C@@H](C)NC(=O)C(C)(C)C)n[nH]1 ZINC000161067281 178055237 /nfs/dbraw/zinc/05/52/37/178055237.db2.gz AAUQTRAWXWTQHI-MRVPVSSYSA-N 0 1 223.320 1.811 20 70 BDIDMN CO[C@]1(CNc2ccc3c(n2)CCC3)CCOC1 ZINC000160632678 361996873 /nfs/dbraw/zinc/99/68/73/361996873.db2.gz NZLNTDQOUXTHPJ-AWEZNQCLSA-N 0 1 248.326 1.788 20 70 BDIDMN CN(Cc1cnc2ccccn12)C[C@@H]1CCCO1 ZINC000159577859 345444588 /nfs/dbraw/zinc/44/45/88/345444588.db2.gz PRYXEXPBLICVJD-ZDUSSCGKSA-N 0 1 245.326 1.945 20 70 BDIDMN CC(C)OCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000159732986 345505738 /nfs/dbraw/zinc/50/57/38/345505738.db2.gz DNMICLCJXVTDNM-TXEJJXNPSA-N 0 1 240.347 1.154 20 70 BDIDMN CCCCN(CCCO)Cc1n[nH]c(CC)n1 ZINC000160529936 349090413 /nfs/dbraw/zinc/09/04/13/349090413.db2.gz NBXRSYMUFWWDJD-UHFFFAOYSA-N 0 1 240.351 1.352 20 70 BDIDMN Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)cn1 ZINC000160599202 349264379 /nfs/dbraw/zinc/26/43/79/349264379.db2.gz SVBFQMWIZLRPSL-BETUJISGSA-N 0 1 245.326 1.357 20 70 BDIDMN Cc1cc(C)c(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)[nH]1 ZINC000159483949 350578561 /nfs/dbraw/zinc/57/85/61/350578561.db2.gz RUJLPJWSTGLCTG-TXEJJXNPSA-N 0 1 247.342 1.598 20 70 BDIDMN CC(C)C[C@@H]1CCCN(C(=O)CN(C)C)C1 ZINC000161076423 351025723 /nfs/dbraw/zinc/02/57/23/351025723.db2.gz CTTGUBQORVZRJM-LBPRGKRZSA-N 0 1 226.364 1.833 20 70 BDIDMN CN(CCO)Cc1ccc(Cl)cn1 ZINC000159452236 538108280 /nfs/dbraw/zinc/10/82/80/538108280.db2.gz UWFIXNMESXFOQN-UHFFFAOYSA-N 0 1 200.669 1.159 20 70 BDIDMN CCCC[C@@H](C(=O)OC)N(C)CCCOC ZINC000160798252 361328493 /nfs/dbraw/zinc/32/84/93/361328493.db2.gz BFTIKGKARNZXPM-NSHDSACASA-N 0 1 231.336 1.687 20 70 BDIDMN C[C@H](CO)CN[C@@H](C)c1cscn1 ZINC000161164690 384865256 /nfs/dbraw/zinc/86/52/56/384865256.db2.gz FDMVNJMCMJNXJH-YUMQZZPRSA-N 0 1 200.307 1.422 20 70 BDIDMN O=C(c1ccncc1F)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160172905 386219135 /nfs/dbraw/zinc/21/91/35/386219135.db2.gz YVSSLTLCBFQPER-AOOOYVTPSA-N 0 1 249.289 1.187 20 70 BDIDMN Cc1nc(CNC(C)(C)[C@@H](C)O)cs1 ZINC000160627337 387111583 /nfs/dbraw/zinc/11/15/83/387111583.db2.gz WYUFTALWOQZUOR-SSDOTTSWSA-N 0 1 214.334 1.701 20 70 BDIDMN CCc1ncnc(NCc2cn[nH]c2C)c1F ZINC000217990536 411309396 /nfs/dbraw/zinc/30/93/96/411309396.db2.gz UJGAAQKZMFQWMB-UHFFFAOYSA-N 0 1 235.266 1.822 20 70 BDIDMN Cc1cc(C[C@@H](C)NC(=O)c2ccccn2)n[nH]1 ZINC000161458177 178055685 /nfs/dbraw/zinc/05/56/85/178055685.db2.gz KWWVOWBWXUASEP-SECBINFHSA-N 0 1 244.298 1.474 20 70 BDIDMN Cc1ccc(-c2n[nH]c(NC(=O)C(C)C)n2)o1 ZINC000160272896 178340884 /nfs/dbraw/zinc/34/08/84/178340884.db2.gz YFZVTSFQNVHYPV-UHFFFAOYSA-N 0 1 234.259 1.968 20 70 BDIDMN C[C@H](O)CCN[C@@H](C)c1cscn1 ZINC000161199851 343204900 /nfs/dbraw/zinc/20/49/00/343204900.db2.gz BOSZSOLVHVRBSR-YUMQZZPRSA-N 0 1 200.307 1.565 20 70 BDIDMN C[C@H]1C(=O)NCC[N@@H+]1CCC1CCCC1 ZINC000160354954 323065403 /nfs/dbraw/zinc/06/54/03/323065403.db2.gz WULJQHRYHFIKRW-JTQLQIEISA-N 0 1 210.321 1.387 20 70 BDIDMN C[C@H]1C(=O)NCCN1CCC1CCCC1 ZINC000160354954 323065404 /nfs/dbraw/zinc/06/54/04/323065404.db2.gz WULJQHRYHFIKRW-JTQLQIEISA-N 0 1 210.321 1.387 20 70 BDIDMN CC[C@@H](O)CCN[C@H](C)c1cscn1 ZINC000161227317 346123859 /nfs/dbraw/zinc/12/38/59/346123859.db2.gz XMKVYTNIPOYFRF-RKDXNWHRSA-N 0 1 214.334 1.955 20 70 BDIDMN CC[C@H](C)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000160517425 349053837 /nfs/dbraw/zinc/05/38/37/349053837.db2.gz SENNSJHJUPZTAC-NSHDSACASA-N 0 1 241.379 1.911 20 70 BDIDMN C[C@@H]1CC[C@H](CC(=O)N2CCNCC2)C1 ZINC000159408753 361233636 /nfs/dbraw/zinc/23/36/36/361233636.db2.gz ASVPKYAJKGSERT-MNOVXSKESA-N 0 1 210.321 1.245 20 70 BDIDMN CN1CCCN(C(=O)N2CCCCCC2)CC1 ZINC000160339123 384402004 /nfs/dbraw/zinc/40/20/04/384402004.db2.gz JGUZQTICSHVOQA-UHFFFAOYSA-N 0 1 239.363 1.620 20 70 BDIDMN Cc1csc(N2CCN(CC3CC3)CC2)n1 ZINC000160378943 384405169 /nfs/dbraw/zinc/40/51/69/384405169.db2.gz PWMYNIAFHMKZMC-UHFFFAOYSA-N 0 1 237.372 1.984 20 70 BDIDMN CC(C)(C)C[C@H](CO)Nc1ncnc2[nH]cnc21 ZINC000161408951 385018646 /nfs/dbraw/zinc/01/86/46/385018646.db2.gz FDYISNPXYIEGKV-MRVPVSSYSA-N 0 1 249.318 1.562 20 70 BDIDMN CSCCC(=O)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160713124 385713577 /nfs/dbraw/zinc/71/35/77/385713577.db2.gz CLCCPIVWAWKGPK-AOOOYVTPSA-N 0 1 228.361 1.092 20 70 BDIDMN O=C(c1ccccn1)N1C[C@H]2CCC[C@@H](C1)N2 ZINC000160189373 386323178 /nfs/dbraw/zinc/32/31/78/386323178.db2.gz RYNBAZYVACPIHQ-PHIMTYICSA-N 0 1 231.299 1.048 20 70 BDIDMN C[C@H](Nc1ncnc2[nH]cnc21)C1CCC1 ZINC000160061526 387040868 /nfs/dbraw/zinc/04/08/68/387040868.db2.gz OPQMCAJNWCOERF-ZETCQYMHSA-N 0 1 217.276 1.953 20 70 BDIDMN CCOCCN(C)Cc1ccc(CO)o1 ZINC000161234211 170390259 /nfs/dbraw/zinc/39/02/59/170390259.db2.gz OZAQAEQKQLMRTM-UHFFFAOYSA-N 0 1 213.277 1.240 20 70 BDIDMN CC[C@@H](C)C[N@@H+](CC)[C@@H](C)C(=O)N(C)C ZINC000160521225 323069936 /nfs/dbraw/zinc/06/99/36/323069936.db2.gz NUTZWGQDVQRAAH-MNOVXSKESA-N 0 1 214.353 1.831 20 70 BDIDMN